data_19221 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19221 _Entry.PDB_ID 2M82 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19221 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.086 0.054 19221 2 1 1 . 1 1 2 2 LYS CA C 2 56.090 56.090 57.719 -1.629 19221 3 1 1 . 1 1 2 2 LYS CB C 2 32.930 32.930 31.034 1.896 19221 4 1 1 . 1 1 4 4 ASP C C 4 176.140 176.140 176.824 -0.684 19221 5 1 1 . 1 1 4 4 ASP CA C 4 55.530 55.530 52.884 2.646 19221 6 1 1 . 1 1 4 4 ASP CB C 4 41.980 41.980 43.779 -1.799 19221 7 1 1 . 1 1 5 5 PHE N N 5 122.270 122.270 121.495 0.775 19221 8 1 1 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.287 -0.108 19221 9 1 1 . 1 1 5 5 PHE C C 5 177.706 177.706 177.198 0.508 19221 10 1 1 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.796 0.084 19221 11 1 1 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.021 -0.121 19221 12 1 1 . 1 1 5 5 PHE H H 5 7.853 7.853 8.979 -1.126 19221 13 1 1 . 1 1 6 6 ASN N N 6 114.920 114.920 117.737 -2.817 19221 14 1 1 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.377 0.024 19221 15 1 1 . 1 1 6 6 ASN C C 6 176.990 176.990 177.236 -0.246 19221 16 1 1 . 1 1 6 6 ASN CA C 6 56.470 56.470 57.003 -0.533 19221 17 1 1 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.016 1.207 19221 18 1 1 . 1 1 6 6 ASN H H 6 8.051 8.051 9.274 -1.223 19221 19 1 1 . 1 1 7 7 SER N N 7 112.970 112.970 117.805 -4.835 19221 20 1 1 . 1 1 7 7 SER HA H 7 4.435 4.435 4.258 0.177 19221 21 1 1 . 1 1 7 7 SER C C 7 177.780 177.780 176.698 1.082 19221 22 1 1 . 1 1 7 7 SER CA C 7 61.440 61.440 61.416 0.024 19221 23 1 1 . 1 1 7 7 SER CB C 7 62.770 62.770 63.174 -0.404 19221 24 1 1 . 1 1 7 7 SER H H 7 8.041 8.041 7.715 0.326 19221 25 1 1 . 1 1 8 8 PHE N N 8 123.560 123.560 123.748 -0.188 19221 26 1 1 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.170 -0.103 19221 27 1 1 . 1 1 8 8 PHE C C 8 177.959 177.959 177.371 0.588 19221 28 1 1 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.925 0.185 19221 29 1 1 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.256 -0.290 19221 30 1 1 . 1 1 8 8 PHE H H 8 8.364 8.364 8.459 -0.095 19221 31 1 1 . 1 1 9 9 TYR N N 9 122.550 122.550 121.015 1.535 19221 32 1 1 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.016 -0.016 19221 33 1 1 . 1 1 9 9 TYR C C 9 176.360 176.360 176.642 -0.282 19221 34 1 1 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.257 -0.247 19221 35 1 1 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.221 -0.021 19221 36 1 1 . 1 1 9 9 TYR H H 9 8.230 8.230 9.013 -0.783 19221 37 1 1 . 1 1 10 10 TYR N N 10 115.490 115.490 119.214 -3.724 19221 38 1 1 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.061 0.045 19221 39 1 1 . 1 1 10 10 TYR C C 10 180.280 180.280 177.671 2.609 19221 40 1 1 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.663 0.856 19221 41 1 1 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.852 -0.922 19221 42 1 1 . 1 1 10 10 TYR H H 10 7.958 7.958 8.636 -0.678 19221 43 1 1 . 1 1 11 11 THR N N 11 115.140 115.140 116.218 -1.078 19221 44 1 1 . 1 1 11 11 THR HA H 11 3.934 3.934 3.711 0.223 19221 45 1 1 . 1 1 11 11 THR CA C 11 66.560 66.560 66.914 -0.354 19221 46 1 1 . 1 1 11 11 THR CB C 11 68.750 68.750 67.899 0.851 19221 47 1 1 . 1 1 11 11 THR H H 11 8.806 8.806 8.563 0.243 19221 48 1 1 . 1 1 12 12 SER N N 12 120.384 120.384 118.017 2.367 19221 49 1 1 . 1 1 12 12 SER HA H 12 3.346 3.346 4.081 -0.735 19221 50 1 1 . 1 1 12 12 SER C C 12 175.891 175.891 176.584 -0.693 19221 51 1 1 . 1 1 12 12 SER CA C 12 62.740 62.740 62.019 0.721 19221 52 1 1 . 1 1 12 12 SER CB C 12 62.580 62.580 62.787 -0.207 19221 53 1 1 . 1 1 12 12 SER H H 12 8.151 8.151 7.987 0.164 19221 54 1 1 . 1 1 13 13 LEU N N 13 121.640 121.640 121.708 -0.068 19221 55 1 1 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.900 -0.099 19221 56 1 1 . 1 1 13 13 LEU C C 13 180.374 180.374 178.230 2.144 19221 57 1 1 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.408 0.942 19221 58 1 1 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.679 -0.269 19221 59 1 1 . 1 1 13 13 LEU H H 13 7.893 7.893 7.929 -0.036 19221 60 1 1 . 1 1 14 14 LEU N N 14 120.470 120.470 120.312 0.158 19221 61 1 1 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.783 0.378 19221 62 1 1 . 1 1 14 14 LEU C C 14 179.880 179.880 178.457 1.423 19221 63 1 1 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.483 0.517 19221 64 1 1 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.672 -0.122 19221 65 1 1 . 1 1 14 14 LEU H H 14 7.528 7.528 8.112 -0.584 19221 66 1 1 . 1 1 15 15 TYR N N 15 122.257 122.257 119.201 3.056 19221 67 1 1 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.187 0.078 19221 68 1 1 . 1 1 15 15 TYR C C 15 177.033 177.033 177.696 -0.663 19221 69 1 1 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.911 -0.181 19221 70 1 1 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.276 -0.176 19221 71 1 1 . 1 1 15 15 TYR H H 15 8.135 8.135 8.292 -0.157 19221 72 1 1 . 1 1 16 16 LEU N N 16 118.440 118.440 117.242 1.198 19221 73 1 1 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.788 0.017 19221 74 1 1 . 1 1 16 16 LEU C C 16 179.055 179.055 177.907 1.148 19221 75 1 1 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.292 -0.079 19221 76 1 1 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.722 0.343 19221 77 1 1 . 1 1 16 16 LEU H H 16 8.452 8.452 7.584 0.868 19221 78 1 1 . 1 1 17 17 SER N N 17 114.450 114.450 111.902 2.548 19221 79 1 1 . 1 1 17 17 SER HA H 17 4.430 4.430 4.246 0.184 19221 80 1 1 . 1 1 17 17 SER C C 17 175.197 175.197 175.845 -0.648 19221 81 1 1 . 1 1 17 17 SER CA C 17 61.040 61.040 60.693 0.347 19221 82 1 1 . 1 1 17 17 SER CB C 17 63.460 63.460 63.817 -0.357 19221 83 1 1 . 1 1 17 17 SER H H 17 7.848 7.848 7.697 0.151 19221 84 1 1 . 1 1 18 18 THR N N 18 110.850 110.850 111.293 -0.443 19221 85 1 1 . 1 1 18 18 THR HA H 18 4.452 4.452 4.177 0.275 19221 86 1 1 . 1 1 18 18 THR C C 18 174.439 174.439 175.387 -0.948 19221 87 1 1 . 1 1 18 18 THR CA C 18 61.421 61.421 63.140 -1.719 19221 88 1 1 . 1 1 18 18 THR CB C 18 69.940 69.940 69.466 0.474 19221 89 1 1 . 1 1 18 18 THR H H 18 7.505 7.505 7.823 -0.318 19221 90 1 1 . 1 1 19 19 LEU N N 19 123.180 123.180 122.230 0.950 19221 91 1 1 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.170 -0.010 19221 92 1 1 . 1 1 19 19 LEU C C 19 176.926 176.926 176.621 0.305 19221 93 1 1 . 1 1 19 19 LEU CA C 19 55.290 55.290 54.852 0.438 19221 94 1 1 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.153 0.295 19221 95 1 1 . 1 1 19 19 LEU H H 19 7.095 7.095 7.275 -0.180 19221 96 1 1 . 1 1 20 20 GLU N N 20 125.330 125.330 122.939 2.391 19221 97 1 1 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.403 0.205 19221 98 1 1 . 1 1 20 20 GLU C C 20 175.915 175.915 175.692 0.223 19221 99 1 1 . 1 1 20 20 GLU CA C 20 54.773 54.773 54.904 -0.131 19221 100 1 1 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.777 -0.187 19221 101 1 1 . 1 1 20 20 GLU H H 20 8.535 8.535 8.371 0.164 19221 102 1 1 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.180 0.153 19221 103 1 1 . 1 1 21 21 PRO C C 21 177.196 177.196 177.581 -0.385 19221 104 1 1 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.592 0.188 19221 105 1 1 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.840 0.010 19221 106 1 1 . 1 1 22 22 SER N N 22 111.220 111.220 115.333 -4.113 19221 107 1 1 . 1 1 22 22 SER HA H 22 4.398 4.398 4.390 0.008 19221 108 1 1 . 1 1 22 22 SER C C 22 175.056 175.056 174.100 0.956 19221 109 1 1 . 1 1 22 22 SER CA C 22 58.530 58.530 57.754 0.776 19221 110 1 1 . 1 1 22 22 SER CB C 22 63.500 63.500 62.344 1.156 19221 111 1 1 . 1 1 22 22 SER H H 22 7.967 7.967 8.039 -0.072 19221 112 1 1 . 1 1 23 23 THR N N 23 117.440 117.440 114.601 2.839 19221 113 1 1 . 1 1 23 23 THR HA H 23 4.279 4.279 4.244 0.035 19221 114 1 1 . 1 1 23 23 THR C C 23 174.573 174.573 175.936 -1.363 19221 115 1 1 . 1 1 23 23 THR CA C 23 62.920 62.920 62.278 0.642 19221 116 1 1 . 1 1 23 23 THR CB C 23 69.260 69.260 69.453 -0.193 19221 117 1 1 . 1 1 23 23 THR H H 23 7.936 7.936 7.684 0.252 19221 118 1 1 . 1 1 24 24 SER N N 24 119.820 119.820 120.627 -0.807 19221 119 1 1 . 1 1 24 24 SER HA H 24 4.485 4.485 4.356 0.129 19221 120 1 1 . 1 1 24 24 SER C C 24 174.082 174.082 174.854 -0.772 19221 121 1 1 . 1 1 24 24 SER CA C 24 58.600 58.600 60.065 -1.465 19221 122 1 1 . 1 1 24 24 SER CB C 24 63.430 63.430 63.117 0.313 19221 123 1 1 . 1 1 24 24 SER H H 24 8.438 8.438 8.616 -0.178 19221 124 1 1 . 1 1 25 25 ILE N N 25 123.140 123.140 122.209 0.931 19221 125 1 1 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.221 0.258 19221 126 1 1 . 1 1 25 25 ILE C C 25 176.472 176.472 176.378 0.094 19221 127 1 1 . 1 1 25 25 ILE CA C 25 61.010 61.010 61.357 -0.347 19221 128 1 1 . 1 1 25 25 ILE CB C 25 39.460 39.460 38.859 0.601 19221 129 1 1 . 1 1 25 25 ILE H H 25 7.870 7.870 7.697 0.173 19221 130 1 1 . 1 1 26 26 THR N N 26 118.120 118.120 116.326 1.794 19221 131 1 1 . 1 1 26 26 THR HA H 26 4.394 4.394 4.599 -0.205 19221 132 1 1 . 1 1 26 26 THR C C 26 175.540 175.540 175.517 0.023 19221 133 1 1 . 1 1 26 26 THR CA C 26 61.890 61.890 60.403 1.487 19221 134 1 1 . 1 1 26 26 THR CB C 26 71.320 71.320 70.674 0.646 19221 135 1 1 . 1 1 26 26 THR H H 26 8.649 8.649 8.154 0.495 19221 136 1 1 . 1 1 27 27 LEU N N 27 123.130 123.130 121.282 1.848 19221 137 1 1 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.181 -0.092 19221 138 1 1 . 1 1 27 27 LEU C C 27 178.653 178.653 177.961 0.692 19221 139 1 1 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.794 0.966 19221 140 1 1 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.393 -0.213 19221 141 1 1 . 1 1 27 27 LEU H H 27 8.766 8.766 8.521 0.245 19221 142 1 1 . 1 1 28 28 ALA N N 28 119.510 119.510 121.014 -1.504 19221 143 1 1 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.089 0.174 19221 144 1 1 . 1 1 28 28 ALA C C 28 178.218 178.218 179.986 -1.768 19221 145 1 1 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.868 0.452 19221 146 1 1 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.153 -0.033 19221 147 1 1 . 1 1 28 28 ALA H H 28 8.546 8.546 8.295 0.251 19221 148 1 1 . 1 1 29 29 GLU N N 29 118.210 118.210 117.823 0.387 19221 149 1 1 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.124 -0.043 19221 150 1 1 . 1 1 29 29 GLU C C 29 179.929 179.929 179.367 0.562 19221 151 1 1 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.190 0.110 19221 152 1 1 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.467 0.609 19221 153 1 1 . 1 1 29 29 GLU H H 29 7.719 7.719 8.158 -0.439 19221 154 1 1 . 1 1 30 30 ARG N N 30 121.350 121.350 120.591 0.759 19221 155 1 1 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.040 -0.081 19221 156 1 1 . 1 1 30 30 ARG C C 30 177.538 177.538 178.917 -1.379 19221 157 1 1 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.749 0.896 19221 158 1 1 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.106 0.894 19221 159 1 1 . 1 1 30 30 ARG H H 30 8.410 8.410 8.015 0.395 19221 160 1 1 . 1 1 31 31 GLN N N 31 117.670 117.670 119.130 -1.460 19221 161 1 1 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.075 -0.123 19221 162 1 1 . 1 1 31 31 GLN C C 31 178.220 178.220 179.035 -0.815 19221 163 1 1 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.325 -0.370 19221 164 1 1 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.603 0.027 19221 165 1 1 . 1 1 31 31 GLN H H 31 8.742 8.742 8.422 0.320 19221 166 1 1 . 1 1 32 32 GLN N N 32 117.910 117.910 118.656 -0.746 19221 167 1 1 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.221 -0.234 19221 168 1 1 . 1 1 32 32 GLN C C 32 177.712 177.712 178.491 -0.779 19221 169 1 1 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.442 -0.112 19221 170 1 1 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.531 -0.211 19221 171 1 1 . 1 1 32 32 GLN H H 32 7.732 7.732 7.877 -0.145 19221 172 1 1 . 1 1 33 33 LEU N N 33 119.680 119.680 121.853 -2.173 19221 173 1 1 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.081 0.323 19221 174 1 1 . 1 1 33 33 LEU C C 33 178.876 178.876 177.847 1.029 19221 175 1 1 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.495 0.555 19221 176 1 1 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.450 0.350 19221 177 1 1 . 1 1 33 33 LEU H H 33 7.846 7.846 8.502 -0.656 19221 178 1 1 . 1 1 34 34 ALA N N 34 121.660 121.660 122.682 -1.022 19221 179 1 1 . 1 1 34 34 ALA HA H 34 3.741 3.741 4.045 -0.304 19221 180 1 1 . 1 1 34 34 ALA C C 34 180.025 180.025 179.441 0.584 19221 181 1 1 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.169 0.501 19221 182 1 1 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.147 0.793 19221 183 1 1 . 1 1 34 34 ALA H H 34 8.308 8.308 8.623 -0.315 19221 184 1 1 . 1 1 35 35 TYR N N 35 120.860 120.860 119.526 1.334 19221 185 1 1 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.831 -0.073 19221 186 1 1 . 1 1 35 35 TYR C C 35 176.384 176.384 177.235 -0.851 19221 187 1 1 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.881 0.139 19221 188 1 1 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.980 0.480 19221 189 1 1 . 1 1 35 35 TYR H H 35 8.457 8.457 8.268 0.189 19221 190 1 1 . 1 1 36 36 ASP N N 36 120.570 120.570 119.691 0.879 19221 191 1 1 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.194 0.041 19221 192 1 1 . 1 1 36 36 ASP C C 36 180.544 180.544 178.791 1.753 19221 193 1 1 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.660 0.280 19221 194 1 1 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.825 -0.355 19221 195 1 1 . 1 1 36 36 ASP H H 36 9.072 9.072 8.348 0.724 19221 196 1 1 . 1 1 37 37 LEU N N 37 123.000 123.000 120.339 2.661 19221 197 1 1 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.018 0.128 19221 198 1 1 . 1 1 37 37 LEU C C 37 178.743 178.743 179.090 -0.347 19221 199 1 1 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.612 0.002 19221 200 1 1 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.975 0.835 19221 201 1 1 . 1 1 37 37 LEU H H 37 9.068 9.068 8.610 0.458 19221 202 1 1 . 1 1 38 38 SER N N 38 116.650 116.650 115.516 1.134 19221 203 1 1 . 1 1 38 38 SER HA H 38 3.680 3.680 4.198 -0.518 19221 204 1 1 . 1 1 38 38 SER C C 38 174.113 174.113 176.592 -2.479 19221 205 1 1 . 1 1 38 38 SER CA C 38 59.430 59.430 62.256 -2.826 19221 206 1 1 . 1 1 38 38 SER CB C 38 63.559 63.559 62.847 0.712 19221 207 1 1 . 1 1 38 38 SER H H 38 7.824 7.824 7.777 0.047 19221 208 1 1 . 1 1 39 39 ILE N N 39 121.198 121.198 122.035 -0.837 19221 209 1 1 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.493 -0.088 19221 210 1 1 . 1 1 39 39 ILE C C 39 176.113 176.113 177.851 -1.738 19221 211 1 1 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.583 -1.223 19221 212 1 1 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.699 -1.351 19221 213 1 1 . 1 1 39 39 ILE H H 39 8.313 8.313 8.182 0.131 19221 214 1 1 . 1 1 40 40 SER N N 40 115.537 115.537 115.833 -0.296 19221 215 1 1 . 1 1 40 40 SER HA H 40 4.534 4.534 4.059 0.475 19221 216 1 1 . 1 1 40 40 SER C C 40 174.881 174.881 177.042 -2.161 19221 217 1 1 . 1 1 40 40 SER CA C 40 62.520 62.520 61.943 0.577 19221 218 1 1 . 1 1 40 40 SER CB C 40 62.670 62.670 62.990 -0.320 19221 219 1 1 . 1 1 40 40 SER H H 40 7.961 7.961 8.329 -0.368 19221 220 1 1 . 1 1 41 41 ALA N N 41 123.360 123.360 124.746 -1.386 19221 221 1 1 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.800 -0.208 19221 222 1 1 . 1 1 41 41 ALA C C 41 178.822 178.822 179.846 -1.024 19221 223 1 1 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.570 -0.448 19221 224 1 1 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.137 0.253 19221 225 1 1 . 1 1 41 41 ALA H H 41 7.878 7.878 8.204 -0.326 19221 226 1 1 . 1 1 42 42 LEU N N 42 115.790 115.790 117.678 -1.888 19221 227 1 1 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.214 -0.638 19221 228 1 1 . 1 1 42 42 LEU C C 42 179.683 179.683 177.021 2.662 19221 229 1 1 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.345 1.386 19221 230 1 1 . 1 1 42 42 LEU CB C 42 42.210 42.210 41.818 0.392 19221 231 1 1 . 1 1 42 42 LEU H H 42 7.737 7.737 8.313 -0.576 19221 232 1 1 . 1 1 43 43 LEU N N 43 113.670 113.670 113.713 -0.043 19221 233 1 1 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.341 -0.334 19221 234 1 1 . 1 1 43 43 LEU C C 43 177.279 177.279 176.161 1.118 19221 235 1 1 . 1 1 43 43 LEU CA C 43 54.930 54.930 53.211 1.719 19221 236 1 1 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.465 -0.645 19221 237 1 1 . 1 1 43 43 LEU H H 43 7.798 7.798 7.032 0.766 19221 238 1 1 . 1 1 44 44 GLY N N 44 108.270 108.270 108.195 0.075 19221 239 1 1 . 1 1 44 44 GLY C C 44 177.020 177.020 173.850 3.170 19221 240 1 1 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.933 1.957 19221 241 1 1 . 1 1 44 44 GLY H H 44 7.984 7.984 7.649 0.335 19221 242 1 1 . 1 1 45 45 ASP N N 45 128.400 128.400 125.172 3.228 19221 243 1 1 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.444 0.115 19221 244 1 1 . 1 1 45 45 ASP C C 45 177.183 177.183 176.959 0.224 19221 245 1 1 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.897 -1.447 19221 246 1 1 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.279 -1.489 19221 247 1 1 . 1 1 45 45 ASP H H 45 9.073 9.073 8.589 0.484 19221 248 1 1 . 1 1 46 46 LYS N N 46 117.230 117.230 115.482 1.748 19221 249 1 1 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.430 0.515 19221 250 1 1 . 1 1 46 46 LYS C C 46 176.544 176.544 175.428 1.116 19221 251 1 1 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.884 -0.274 19221 252 1 1 . 1 1 46 46 LYS CB C 46 33.960 33.960 33.380 0.580 19221 253 1 1 . 1 1 46 46 LYS H H 46 8.987 8.987 8.194 0.793 19221 254 1 1 . 1 1 47 47 ILE N N 47 121.540 121.540 120.081 1.459 19221 255 1 1 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.819 0.278 19221 256 1 1 . 1 1 47 47 ILE C C 47 174.082 174.082 174.894 -0.812 19221 257 1 1 . 1 1 47 47 ILE CA C 47 61.080 61.080 60.155 0.925 19221 258 1 1 . 1 1 47 47 ILE CB C 47 37.008 37.008 35.151 1.857 19221 259 1 1 . 1 1 47 47 ILE H H 47 6.840 6.840 7.761 -0.921 19221 260 1 1 . 1 1 48 48 TYR N N 48 123.820 123.820 128.468 -4.648 19221 261 1 1 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.707 -0.398 19221 262 1 1 . 1 1 48 48 TYR C C 48 173.249 173.249 175.216 -1.967 19221 263 1 1 . 1 1 48 48 TYR CA C 48 57.350 57.350 59.086 -1.736 19221 264 1 1 . 1 1 48 48 TYR CB C 48 39.230 39.230 40.786 -1.556 19221 265 1 1 . 1 1 48 48 TYR H H 48 8.511 8.511 8.544 -0.033 19221 266 1 1 . 1 1 49 49 ASN N N 49 116.100 116.100 119.695 -3.595 19221 267 1 1 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.202 0.249 19221 268 1 1 . 1 1 49 49 ASN C C 49 175.429 175.429 176.419 -0.990 19221 269 1 1 . 1 1 49 49 ASN CA C 49 53.077 53.077 55.244 -2.167 19221 270 1 1 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.498 1.419 19221 271 1 1 . 1 1 49 49 ASN H H 49 6.906 6.906 8.198 -1.292 19221 272 1 1 . 1 1 50 50 PHE N N 50 124.360 124.360 113.430 10.930 19221 273 1 1 . 1 1 50 50 PHE HA H 50 5.011 5.011 3.943 1.068 19221 274 1 1 . 1 1 50 50 PHE C C 50 176.190 176.190 177.191 -1.001 19221 275 1 1 . 1 1 50 50 PHE CA C 50 55.863 55.863 60.440 -4.577 19221 276 1 1 . 1 1 50 50 PHE CB C 50 38.482 38.482 36.821 1.661 19221 277 1 1 . 1 1 50 50 PHE H H 50 8.980 8.980 8.214 0.766 19221 278 1 1 . 1 1 51 51 GLY N N 51 109.740 109.740 105.833 3.907 19221 279 1 1 . 1 1 51 51 GLY C C 51 175.758 175.758 175.436 0.322 19221 280 1 1 . 1 1 51 51 GLY CA C 51 48.300 48.300 46.915 1.385 19221 281 1 1 . 1 1 51 51 GLY H H 51 8.658 8.658 8.315 0.343 19221 282 1 1 . 1 1 52 52 GLU N N 52 120.700 120.700 123.171 -2.471 19221 283 1 1 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.170 -0.088 19221 284 1 1 . 1 1 52 52 GLU C C 52 178.240 178.240 179.139 -0.899 19221 285 1 1 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.206 0.004 19221 286 1 1 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.735 0.004 19221 287 1 1 . 1 1 52 52 GLU H H 52 8.321 8.321 8.765 -0.444 19221 288 1 1 . 1 1 53 53 LEU N N 53 119.400 119.400 122.303 -2.903 19221 289 1 1 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.092 0.066 19221 290 1 1 . 1 1 53 53 LEU C C 53 178.344 178.344 178.988 -0.644 19221 291 1 1 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.978 -0.188 19221 292 1 1 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.862 0.978 19221 293 1 1 . 1 1 53 53 LEU H H 53 7.694 7.694 8.119 -0.425 19221 294 1 1 . 1 1 54 54 LEU N N 54 114.230 114.230 117.956 -3.726 19221 295 1 1 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.131 -0.208 19221 296 1 1 . 1 1 54 54 LEU C C 54 178.643 178.643 177.131 1.512 19221 297 1 1 . 1 1 54 54 LEU CA C 54 57.730 57.730 57.013 0.717 19221 298 1 1 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.991 -0.141 19221 299 1 1 . 1 1 54 54 LEU H H 54 8.369 8.369 8.495 -0.126 19221 300 1 1 . 1 1 55 55 HIS N N 55 113.420 113.420 112.966 0.454 19221 301 1 1 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.909 -0.202 19221 302 1 1 . 1 1 55 55 HIS C C 55 173.981 173.981 174.352 -0.371 19221 303 1 1 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.323 0.197 19221 304 1 1 . 1 1 55 55 HIS CB C 55 29.280 29.280 30.854 -1.574 19221 305 1 1 . 1 1 55 55 HIS H H 55 7.569 7.569 7.588 -0.019 19221 306 1 1 . 1 1 56 56 HIS N N 56 126.050 126.050 123.233 2.817 19221 307 1 1 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.632 -0.151 19221 308 1 1 . 1 1 56 56 HIS C C 56 176.705 176.705 175.440 1.265 19221 309 1 1 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.257 2.093 19221 310 1 1 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.590 0.129 19221 311 1 1 . 1 1 56 56 HIS H H 56 8.068 8.068 7.831 0.237 19221 312 1 1 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.249 0.128 19221 313 1 1 . 1 1 57 57 PRO C C 57 179.790 179.790 178.520 1.270 19221 314 1 1 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.986 0.455 19221 315 1 1 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.759 0.671 19221 316 1 1 . 1 1 58 58 ILE N N 58 124.900 124.900 120.655 4.245 19221 317 1 1 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.748 0.522 19221 318 1 1 . 1 1 58 58 ILE C C 58 177.782 177.782 177.105 0.677 19221 319 1 1 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.891 -1.361 19221 320 1 1 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.639 0.631 19221 321 1 1 . 1 1 58 58 ILE H H 58 11.871 11.871 7.402 4.469 19221 322 1 1 . 1 1 59 59 MET N N 59 120.230 120.230 116.212 4.018 19221 323 1 1 . 1 1 59 59 MET HA H 59 4.431 4.431 4.318 0.113 19221 324 1 1 . 1 1 59 59 MET C C 59 178.757 178.757 177.868 0.889 19221 325 1 1 . 1 1 59 59 MET CA C 59 55.720 55.720 55.018 0.702 19221 326 1 1 . 1 1 59 59 MET CB C 59 30.980 30.980 30.592 0.388 19221 327 1 1 . 1 1 59 59 MET H H 59 8.152 8.152 8.193 -0.041 19221 328 1 1 . 1 1 60 60 GLU N N 60 119.080 119.080 119.466 -0.386 19221 329 1 1 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.949 0.059 19221 330 1 1 . 1 1 60 60 GLU C C 60 178.242 178.242 178.415 -0.173 19221 331 1 1 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.790 -1.270 19221 332 1 1 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.668 0.879 19221 333 1 1 . 1 1 60 60 GLU H H 60 7.889 7.889 8.164 -0.275 19221 334 1 1 . 1 1 61 61 THR N N 61 106.740 106.740 111.985 -5.245 19221 335 1 1 . 1 1 61 61 THR HA H 61 4.120 4.120 4.090 0.030 19221 336 1 1 . 1 1 61 61 THR C C 61 176.056 176.056 175.819 0.237 19221 337 1 1 . 1 1 61 61 THR CA C 61 64.520 64.520 64.788 -0.269 19221 338 1 1 . 1 1 61 61 THR CB C 61 69.420 69.420 68.847 0.572 19221 339 1 1 . 1 1 61 61 THR H H 61 7.558 7.558 7.719 -0.161 19221 340 1 1 . 1 1 62 62 ILE N N 62 113.140 113.140 114.455 -1.315 19221 341 1 1 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.548 0.039 19221 342 1 1 . 1 1 62 62 ILE C C 62 176.843 176.843 177.242 -0.399 19221 343 1 1 . 1 1 62 62 ILE CA C 62 61.790 61.790 62.692 -0.902 19221 344 1 1 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.688 0.682 19221 345 1 1 . 1 1 62 62 ILE H H 62 7.235 7.235 7.372 -0.137 19221 346 1 1 . 1 1 63 63 VAL N N 63 122.110 122.110 119.438 2.672 19221 347 1 1 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.490 -0.144 19221 348 1 1 . 1 1 63 63 VAL C C 63 175.165 175.165 177.870 -2.705 19221 349 1 1 . 1 1 63 63 VAL CA C 63 64.440 64.440 66.124 -1.684 19221 350 1 1 . 1 1 63 63 VAL CB C 63 31.199 31.199 30.945 0.254 19221 351 1 1 . 1 1 63 63 VAL H H 63 7.436 7.436 7.858 -0.422 19221 352 1 1 . 1 1 64 64 ASN N N 64 116.810 116.810 117.231 -0.421 19221 353 1 1 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.574 0.207 19221 354 1 1 . 1 1 64 64 ASN C C 64 174.101 174.101 174.928 -0.827 19221 355 1 1 . 1 1 64 64 ASN CA C 64 52.900 52.900 54.816 -1.916 19221 356 1 1 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.851 -0.072 19221 357 1 1 . 1 1 64 64 ASN H H 64 8.352 8.352 7.936 0.416 19221 358 1 1 . 1 1 65 65 ASP N N 65 120.930 120.930 118.179 2.751 19221 359 1 1 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.733 0.147 19221 360 1 1 . 1 1 65 65 ASP C C 65 177.534 177.534 175.316 2.218 19221 361 1 1 . 1 1 65 65 ASP CA C 65 53.170 53.170 53.552 -0.382 19221 362 1 1 . 1 1 65 65 ASP CB C 65 43.100 43.100 41.874 1.226 19221 363 1 1 . 1 1 65 65 ASP H H 65 7.453 7.453 7.402 0.051 19221 364 1 1 . 1 1 66 66 SER HA H 66 4.356 4.356 4.001 0.355 19221 365 1 1 . 1 1 66 66 SER C C 66 176.310 176.310 175.029 1.281 19221 366 1 1 . 1 1 66 66 SER CA C 66 61.350 61.350 59.845 1.505 19221 367 1 1 . 1 1 66 66 SER CB C 66 63.120 63.120 61.803 1.317 19221 368 1 1 . 1 1 66 66 SER H H 66 7.010 7.010 8.022 -1.012 19221 369 1 1 . 1 1 67 67 ASN N N 67 120.050 120.050 119.337 0.713 19221 370 1 1 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.310 0.295 19221 371 1 1 . 1 1 67 67 ASN C C 67 176.107 176.107 174.435 1.672 19221 372 1 1 . 1 1 67 67 ASN CA C 67 55.570 55.570 56.127 -0.557 19221 373 1 1 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.980 -0.380 19221 374 1 1 . 1 1 67 67 ASN H H 67 9.014 9.014 7.986 1.028 19221 375 1 1 . 1 1 68 68 TYR N N 68 114.840 114.840 114.182 0.658 19221 376 1 1 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.527 -0.008 19221 377 1 1 . 1 1 68 68 TYR C C 68 175.709 175.709 174.829 0.880 19221 378 1 1 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.035 1.575 19221 379 1 1 . 1 1 68 68 TYR CB C 68 39.750 39.750 37.746 2.004 19221 380 1 1 . 1 1 68 68 TYR H H 68 8.276 8.276 7.955 0.321 19221 381 1 1 . 1 1 69 69 ASP N N 69 122.810 122.810 122.626 0.184 19221 382 1 1 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.349 0.103 19221 383 1 1 . 1 1 69 69 ASP C C 69 178.371 178.371 177.450 0.921 19221 384 1 1 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.508 0.122 19221 385 1 1 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.937 -0.307 19221 386 1 1 . 1 1 69 69 ASP H H 69 7.806 7.806 7.846 -0.040 19221 387 1 1 . 1 1 70 70 TRP N N 70 117.270 117.270 118.866 -1.596 19221 388 1 1 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.496 -0.332 19221 389 1 1 . 1 1 70 70 TRP C C 70 176.090 176.090 177.798 -1.708 19221 390 1 1 . 1 1 70 70 TRP CA C 70 58.530 58.530 58.916 -0.386 19221 391 1 1 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.783 -1.233 19221 392 1 1 . 1 1 70 70 TRP H H 70 8.172 8.172 7.899 0.273 19221 393 1 1 . 1 1 71 71 LEU N N 71 125.263 125.263 122.132 3.131 19221 394 1 1 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.872 -0.632 19221 395 1 1 . 1 1 71 71 LEU C C 71 178.306 178.306 178.349 -0.043 19221 396 1 1 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.447 0.163 19221 397 1 1 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.022 1.168 19221 398 1 1 . 1 1 71 71 LEU H H 71 6.251 6.251 6.862 -0.611 19221 399 1 1 . 1 1 72 72 PHE N N 72 117.630 117.630 120.177 -2.547 19221 400 1 1 . 1 1 72 72 PHE HA H 72 3.813 3.813 4.037 -0.224 19221 401 1 1 . 1 1 72 72 PHE C C 72 178.797 178.797 177.258 1.539 19221 402 1 1 . 1 1 72 72 PHE CA C 72 62.571 62.571 62.021 0.550 19221 403 1 1 . 1 1 72 72 PHE CB C 72 38.810 38.810 39.067 -0.257 19221 404 1 1 . 1 1 72 72 PHE H H 72 6.996 6.996 8.647 -1.651 19221 405 1 1 . 1 1 73 73 GLN N N 73 117.950 117.950 117.979 -0.029 19221 406 1 1 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.867 0.199 19221 407 1 1 . 1 1 73 73 GLN C C 73 179.341 179.341 178.329 1.012 19221 408 1 1 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.956 0.134 19221 409 1 1 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.805 -0.555 19221 410 1 1 . 1 1 73 73 GLN H H 73 8.415 8.415 8.555 -0.140 19221 411 1 1 . 1 1 74 74 LEU N N 74 122.275 122.275 122.183 0.092 19221 412 1 1 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.073 -0.003 19221 413 1 1 . 1 1 74 74 LEU C C 74 177.889 177.889 178.061 -0.172 19221 414 1 1 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.922 0.648 19221 415 1 1 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.758 0.422 19221 416 1 1 . 1 1 74 74 LEU H H 74 8.365 8.365 8.204 0.161 19221 417 1 1 . 1 1 75 75 LEU N N 75 118.123 118.123 118.681 -0.558 19221 418 1 1 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.889 -0.162 19221 419 1 1 . 1 1 75 75 LEU C C 75 180.172 180.172 178.286 1.886 19221 420 1 1 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.432 0.021 19221 421 1 1 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.190 1.150 19221 422 1 1 . 1 1 75 75 LEU H H 75 8.210 8.210 8.168 0.042 19221 423 1 1 . 1 1 76 76 ASN N N 76 117.960 117.960 119.170 -1.210 19221 424 1 1 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.082 0.293 19221 425 1 1 . 1 1 76 76 ASN C C 76 176.582 176.582 176.996 -0.414 19221 426 1 1 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.307 0.653 19221 427 1 1 . 1 1 76 76 ASN CB C 76 38.950 38.950 38.115 0.835 19221 428 1 1 . 1 1 76 76 ASN H H 76 8.363 8.363 8.376 -0.013 19221 429 1 1 . 1 1 77 77 ALA N N 77 121.740 121.740 121.828 -0.088 19221 430 1 1 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.013 0.154 19221 431 1 1 . 1 1 77 77 ALA C C 77 179.988 179.988 179.901 0.087 19221 432 1 1 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.766 0.794 19221 433 1 1 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.354 -1.024 19221 434 1 1 . 1 1 77 77 ALA H H 77 8.385 8.385 8.061 0.324 19221 435 1 1 . 1 1 78 78 LEU N N 78 116.550 116.550 118.684 -2.134 19221 436 1 1 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.724 -0.071 19221 437 1 1 . 1 1 78 78 LEU C C 78 177.576 177.576 179.554 -1.978 19221 438 1 1 . 1 1 78 78 LEU CA C 78 58.984 58.984 58.124 0.860 19221 439 1 1 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.329 0.681 19221 440 1 1 . 1 1 78 78 LEU H H 78 7.965 7.965 8.087 -0.122 19221 441 1 1 . 1 1 79 79 THR N N 79 113.220 113.220 115.521 -2.301 19221 442 1 1 . 1 1 79 79 THR HA H 79 3.807 3.807 3.852 -0.045 19221 443 1 1 . 1 1 79 79 THR C C 79 176.163 176.163 175.586 0.577 19221 444 1 1 . 1 1 79 79 THR CA C 79 66.980 66.980 66.280 0.700 19221 445 1 1 . 1 1 79 79 THR CB C 79 69.240 69.240 68.748 0.492 19221 446 1 1 . 1 1 79 79 THR H H 79 7.565 7.565 7.939 -0.374 19221 447 1 1 . 1 1 80 80 VAL N N 80 110.800 110.800 111.965 -1.165 19221 448 1 1 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.430 0.079 19221 449 1 1 . 1 1 80 80 VAL C C 80 176.751 176.751 175.941 0.810 19221 450 1 1 . 1 1 80 80 VAL CA C 80 60.890 60.890 60.866 0.024 19221 451 1 1 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.606 0.399 19221 452 1 1 . 1 1 80 80 VAL H H 80 7.792 7.792 7.326 0.466 19221 453 1 1 . 1 1 81 81 GLY N N 81 112.910 112.910 110.288 2.622 19221 454 1 1 . 1 1 81 81 GLY C C 81 173.874 173.874 174.258 -0.384 19221 455 1 1 . 1 1 81 81 GLY CA C 81 47.280 47.280 46.030 1.250 19221 456 1 1 . 1 1 81 81 GLY H H 81 7.506 7.506 7.402 0.104 19221 457 1 1 . 1 1 82 82 ASP N N 82 119.112 119.112 119.992 -0.880 19221 458 1 1 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.851 -0.011 19221 459 1 1 . 1 1 82 82 ASP C C 82 175.706 175.706 175.885 -0.179 19221 460 1 1 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.956 -0.036 19221 461 1 1 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.883 0.067 19221 462 1 1 . 1 1 82 82 ASP H H 82 8.254 8.254 8.005 0.249 19221 463 1 1 . 1 1 83 83 PHE N N 83 123.870 123.870 124.387 -0.517 19221 464 1 1 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.120 -0.292 19221 465 1 1 . 1 1 83 83 PHE C C 83 177.950 177.950 177.463 0.487 19221 466 1 1 . 1 1 83 83 PHE CA C 83 62.570 62.570 62.131 0.439 19221 467 1 1 . 1 1 83 83 PHE CB C 83 39.120 39.120 39.166 -0.046 19221 468 1 1 . 1 1 83 83 PHE H H 83 8.025 8.025 8.176 -0.151 19221 469 1 1 . 1 1 84 84 ASP N N 84 119.583 119.583 119.760 -0.177 19221 470 1 1 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.481 0.041 19221 471 1 1 . 1 1 84 84 ASP C C 84 179.005 179.005 178.696 0.309 19221 472 1 1 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.792 -0.132 19221 473 1 1 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.891 -0.331 19221 474 1 1 . 1 1 84 84 ASP H H 84 8.464 8.464 8.256 0.208 19221 475 1 1 . 1 1 85 85 LYS N N 85 122.200 122.200 119.896 2.304 19221 476 1 1 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.095 -0.003 19221 477 1 1 . 1 1 85 85 LYS C C 85 178.580 178.580 179.073 -0.493 19221 478 1 1 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.921 -0.671 19221 479 1 1 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.306 0.004 19221 480 1 1 . 1 1 85 85 LYS H H 85 8.009 8.009 8.457 -0.448 19221 481 1 1 . 1 1 86 86 PHE N N 86 118.590 118.590 121.051 -2.461 19221 482 1 1 . 1 1 86 86 PHE HA H 86 3.836 3.836 3.998 -0.162 19221 483 1 1 . 1 1 86 86 PHE C C 86 175.649 175.649 176.674 -1.025 19221 484 1 1 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.569 0.841 19221 485 1 1 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.571 1.509 19221 486 1 1 . 1 1 86 86 PHE H H 86 8.331 8.331 8.769 -0.438 19221 487 1 1 . 1 1 87 87 ASP N N 87 117.790 117.790 119.166 -1.376 19221 488 1 1 . 1 1 87 87 ASP HA H 87 4.198 4.198 3.986 0.212 19221 489 1 1 . 1 1 87 87 ASP C C 87 178.542 178.542 178.507 0.035 19221 490 1 1 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.610 0.230 19221 491 1 1 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.614 1.276 19221 492 1 1 . 1 1 87 87 ASP H H 87 8.560 8.560 8.737 -0.177 19221 493 1 1 . 1 1 88 88 SER N N 88 112.940 112.940 115.598 -2.658 19221 494 1 1 . 1 1 88 88 SER HA H 88 4.153 4.153 4.239 -0.086 19221 495 1 1 . 1 1 88 88 SER C C 88 176.823 176.823 175.840 0.983 19221 496 1 1 . 1 1 88 88 SER CA C 88 61.590 61.590 61.869 -0.279 19221 497 1 1 . 1 1 88 88 SER CB C 88 63.085 63.085 63.171 -0.086 19221 498 1 1 . 1 1 88 88 SER H H 88 7.757 7.757 8.036 -0.279 19221 499 1 1 . 1 1 89 89 LEU N N 89 121.710 121.710 121.747 -0.037 19221 500 1 1 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.162 0.006 19221 501 1 1 . 1 1 89 89 LEU C C 89 180.006 180.006 177.911 2.095 19221 502 1 1 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.760 0.070 19221 503 1 1 . 1 1 89 89 LEU CB C 89 43.380 43.380 41.944 1.436 19221 504 1 1 . 1 1 89 89 LEU H H 89 8.173 8.173 7.326 0.847 19221 505 1 1 . 1 1 90 90 ILE N N 90 119.830 119.830 120.778 -0.948 19221 506 1 1 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.431 0.114 19221 507 1 1 . 1 1 90 90 ILE C C 90 177.083 177.083 178.525 -1.442 19221 508 1 1 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.684 -1.774 19221 509 1 1 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.461 -0.381 19221 510 1 1 . 1 1 90 90 ILE H H 90 8.424 8.424 8.448 -0.024 19221 511 1 1 . 1 1 91 91 LYS N N 91 117.980 117.980 117.752 0.228 19221 512 1 1 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.953 -0.052 19221 513 1 1 . 1 1 91 91 LYS C C 91 178.803 178.803 178.005 0.798 19221 514 1 1 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.159 0.351 19221 515 1 1 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.266 0.494 19221 516 1 1 . 1 1 91 91 LYS H H 91 7.569 7.569 8.219 -0.650 19221 517 1 1 . 1 1 92 92 VAL N N 92 115.450 115.450 117.627 -2.177 19221 518 1 1 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.043 -0.115 19221 519 1 1 . 1 1 92 92 VAL C C 92 177.767 177.767 177.634 0.133 19221 520 1 1 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.809 -0.259 19221 521 1 1 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.692 0.098 19221 522 1 1 . 1 1 92 92 VAL H H 92 7.432 7.432 7.712 -0.280 19221 523 1 1 . 1 1 93 93 GLN N N 93 117.250 117.250 119.457 -2.207 19221 524 1 1 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.997 -0.000 19221 525 1 1 . 1 1 93 93 GLN C C 93 178.756 178.756 178.880 -0.124 19221 526 1 1 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.796 -0.236 19221 527 1 1 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.492 0.178 19221 528 1 1 . 1 1 93 93 GLN H H 93 8.127 8.127 8.604 -0.477 19221 529 1 1 . 1 1 94 94 ILE N N 94 118.013 118.013 120.173 -2.160 19221 530 1 1 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.769 -0.129 19221 531 1 1 . 1 1 94 94 ILE C C 94 176.252 176.252 178.686 -2.434 19221 532 1 1 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.349 1.631 19221 533 1 1 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.792 0.338 19221 534 1 1 . 1 1 94 94 ILE H H 94 8.390 8.390 7.719 0.671 19221 535 1 1 . 1 1 95 95 SER N N 95 112.220 112.220 116.422 -4.202 19221 536 1 1 . 1 1 95 95 SER HA H 95 4.158 4.158 4.134 0.024 19221 537 1 1 . 1 1 95 95 SER C C 95 174.893 174.893 175.863 -0.970 19221 538 1 1 . 1 1 95 95 SER CA C 95 59.890 59.890 61.132 -1.242 19221 539 1 1 . 1 1 95 95 SER CB C 95 63.170 63.170 62.910 0.260 19221 540 1 1 . 1 1 95 95 SER H H 95 7.227 7.227 8.229 -1.002 19221 541 1 1 . 1 1 96 96 LYS N N 96 119.000 119.000 118.466 0.534 19221 542 1 1 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.192 0.133 19221 543 1 1 . 1 1 96 96 LYS C C 96 175.903 175.903 176.118 -0.215 19221 544 1 1 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.010 -0.410 19221 545 1 1 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.145 0.795 19221 546 1 1 . 1 1 96 96 LYS H H 96 7.250 7.250 7.553 -0.303 19221 547 1 1 . 1 1 97 97 ILE N N 97 120.530 120.530 121.004 -0.474 19221 548 1 1 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.577 0.022 19221 549 1 1 . 1 1 97 97 ILE C C 97 173.784 173.784 174.191 -0.407 19221 550 1 1 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.899 -0.487 19221 551 1 1 . 1 1 97 97 ILE CB C 97 37.560 37.560 39.970 -2.410 19221 552 1 1 . 1 1 97 97 ILE H H 97 7.713 7.713 7.518 0.195 19221 553 1 1 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.273 0.020 19221 554 1 1 . 1 1 98 98 PRO C C 98 178.885 178.885 178.250 0.635 19221 555 1 1 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.865 0.455 19221 556 1 1 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.106 0.164 19221 557 1 1 . 1 1 99 99 ILE N N 99 115.600 115.600 118.944 -3.344 19221 558 1 1 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.864 0.428 19221 559 1 1 . 1 1 99 99 ILE C C 99 177.025 177.025 177.574 -0.549 19221 560 1 1 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.376 -0.596 19221 561 1 1 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.870 0.211 19221 562 1 1 . 1 1 99 99 ILE H H 99 8.552 8.552 8.083 0.469 19221 563 1 1 . 1 1 100 100 LEU N N 100 119.430 119.430 119.501 -0.071 19221 564 1 1 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.027 0.196 19221 565 1 1 . 1 1 100 100 LEU C C 100 178.223 178.223 178.783 -0.560 19221 566 1 1 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.248 -0.138 19221 567 1 1 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.344 0.876 19221 568 1 1 . 1 1 100 100 LEU H H 100 7.404 7.404 7.854 -0.450 19221 569 1 1 . 1 1 101 101 ALA N N 101 121.390 121.390 120.438 0.952 19221 570 1 1 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.989 -0.072 19221 571 1 1 . 1 1 101 101 ALA C C 101 181.827 181.827 180.416 1.411 19221 572 1 1 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.861 0.549 19221 573 1 1 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.191 -0.241 19221 574 1 1 . 1 1 101 101 ALA H H 101 7.839 7.839 8.201 -0.362 19221 575 1 1 . 1 1 102 102 GLN N N 102 115.470 115.470 117.616 -2.146 19221 576 1 1 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.001 0.076 19221 577 1 1 . 1 1 102 102 GLN C C 102 176.572 176.572 177.635 -1.063 19221 578 1 1 . 1 1 102 102 GLN CA C 102 57.580 57.580 58.373 -0.793 19221 579 1 1 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.083 -0.453 19221 580 1 1 . 1 1 102 102 GLN H H 102 8.276 8.276 7.930 0.346 19221 581 1 1 . 1 1 103 103 HIS N N 103 115.980 115.980 115.219 0.761 19221 582 1 1 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.960 0.164 19221 583 1 1 . 1 1 103 103 HIS C C 103 175.326 175.326 174.978 0.348 19221 584 1 1 . 1 1 103 103 HIS CA C 103 56.350 56.350 55.019 1.331 19221 585 1 1 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.184 1.806 19221 586 1 1 . 1 1 103 103 HIS H H 103 7.450 7.450 7.805 -0.355 19221 587 1 1 . 1 1 104 104 GLU N N 104 122.920 122.920 121.947 0.973 19221 588 1 1 . 1 1 104 104 GLU HA H 104 3.813 3.813 4.057 -0.244 19221 589 1 1 . 1 1 104 104 GLU C C 104 177.960 177.960 178.055 -0.095 19221 590 1 1 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.856 0.654 19221 591 1 1 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.686 -0.186 19221 592 1 1 . 1 1 104 104 GLU H H 104 7.332 7.332 7.651 -0.319 19221 593 1 1 . 1 1 105 105 SER N N 105 113.180 113.180 114.754 -1.574 19221 594 1 1 . 1 1 105 105 SER HA H 105 4.234 4.234 4.336 -0.102 19221 595 1 1 . 1 1 105 105 SER C C 105 177.512 177.512 176.742 0.770 19221 596 1 1 . 1 1 105 105 SER CA C 105 62.100 62.100 60.756 1.344 19221 597 1 1 . 1 1 105 105 SER CB C 105 62.100 62.100 62.952 -0.852 19221 598 1 1 . 1 1 105 105 SER H H 105 8.931 8.931 8.675 0.256 19221 599 1 1 . 1 1 106 106 PHE N N 106 123.770 123.770 122.464 1.306 19221 600 1 1 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.356 0.071 19221 601 1 1 . 1 1 106 106 PHE C C 106 178.007 178.007 177.786 0.221 19221 602 1 1 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.315 0.076 19221 603 1 1 . 1 1 106 106 PHE CB C 106 39.130 39.130 38.838 0.292 19221 604 1 1 . 1 1 106 106 PHE H H 106 8.040 8.040 8.170 -0.130 19221 605 1 1 . 1 1 107 107 LEU N N 107 121.397 121.397 121.403 -0.006 19221 606 1 1 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.099 -0.093 19221 607 1 1 . 1 1 107 107 LEU C C 107 178.165 178.165 179.399 -1.234 19221 608 1 1 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.564 -0.284 19221 609 1 1 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.277 0.892 19221 610 1 1 . 1 1 107 107 LEU H H 107 8.481 8.481 8.859 -0.378 19221 611 1 1 . 1 1 108 108 ARG N N 108 117.450 117.450 117.556 -0.106 19221 612 1 1 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.183 -0.043 19221 613 1 1 . 1 1 108 108 ARG C C 108 178.343 178.343 178.349 -0.006 19221 614 1 1 . 1 1 108 108 ARG CA C 108 59.580 59.580 58.925 0.655 19221 615 1 1 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.355 -0.184 19221 616 1 1 . 1 1 108 108 ARG H H 108 8.480 8.480 8.388 0.092 19221 617 1 1 . 1 1 109 109 GLN N N 109 119.098 119.098 119.497 -0.399 19221 618 1 1 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.151 -0.076 19221 619 1 1 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.091 0.204 19221 620 1 1 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.733 0.775 19221 621 1 1 . 1 1 109 109 GLN H H 109 7.886 7.886 7.908 -0.022 19221 622 1 1 . 1 1 110 110 LYS N N 110 121.110 121.110 121.113 -0.003 19221 623 1 1 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.101 -0.113 19221 624 1 1 . 1 1 110 110 LYS C C 110 178.368 178.368 178.909 -0.541 19221 625 1 1 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.770 2.780 19221 626 1 1 . 1 1 110 110 LYS CB C 110 30.260 30.260 32.086 -1.826 19221 627 1 1 . 1 1 110 110 LYS H H 110 8.356 8.356 8.475 -0.119 19221 628 1 1 . 1 1 111 111 ILE N N 111 116.870 116.870 119.918 -3.048 19221 629 1 1 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.564 0.334 19221 630 1 1 . 1 1 111 111 ILE C C 111 178.036 178.036 176.970 1.066 19221 631 1 1 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.327 0.774 19221 632 1 1 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.356 -0.441 19221 633 1 1 . 1 1 111 111 ILE H H 111 7.848 7.848 7.759 0.089 19221 634 1 1 . 1 1 112 112 CYS N N 112 123.990 123.990 118.501 5.489 19221 635 1 1 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.318 -0.237 19221 636 1 1 . 1 1 112 112 CYS C C 112 176.276 176.276 176.822 -0.546 19221 637 1 1 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.662 1.738 19221 638 1 1 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.954 -0.584 19221 639 1 1 . 1 1 112 112 CYS H H 112 7.473 7.473 7.600 -0.127 19221 640 1 1 . 1 1 113 113 LEU N N 113 120.218 120.218 121.488 -1.270 19221 641 1 1 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.718 0.125 19221 642 1 1 . 1 1 113 113 LEU C C 113 178.584 178.584 178.808 -0.224 19221 643 1 1 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.633 -0.113 19221 644 1 1 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.673 0.877 19221 645 1 1 . 1 1 113 113 LEU H H 113 8.443 8.443 8.684 -0.241 19221 646 1 1 . 1 1 114 114 MET N N 114 116.910 116.910 117.622 -0.712 19221 647 1 1 . 1 1 114 114 MET HA H 114 3.952 3.952 4.219 -0.267 19221 648 1 1 . 1 1 114 114 MET C C 114 178.724 178.724 178.229 0.495 19221 649 1 1 . 1 1 114 114 MET CA C 114 60.070 60.070 59.508 0.562 19221 650 1 1 . 1 1 114 114 MET CB C 114 32.910 32.910 32.595 0.315 19221 651 1 1 . 1 1 114 114 MET H H 114 8.840 8.840 8.518 0.322 19221 652 1 1 . 1 1 115 115 THR N N 115 115.670 115.670 116.912 -1.242 19221 653 1 1 . 1 1 115 115 THR HA H 115 4.083 4.083 4.059 0.024 19221 654 1 1 . 1 1 115 115 THR C C 115 177.434 177.434 176.659 0.775 19221 655 1 1 . 1 1 115 115 THR CA C 115 66.740 66.740 67.474 -0.734 19221 656 1 1 . 1 1 115 115 THR CB C 115 68.630 68.630 68.555 0.075 19221 657 1 1 . 1 1 115 115 THR H H 115 8.095 8.095 8.070 0.025 19221 658 1 1 . 1 1 116 116 LEU N N 116 125.420 125.420 123.920 1.500 19221 659 1 1 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.035 -0.180 19221 660 1 1 . 1 1 116 116 LEU C C 116 176.903 176.903 177.773 -0.870 19221 661 1 1 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.358 0.578 19221 662 1 1 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.638 0.038 19221 663 1 1 . 1 1 116 116 LEU H H 116 8.164 8.164 7.957 0.207 19221 664 1 1 . 1 1 117 117 ILE N N 117 114.740 114.740 118.959 -4.219 19221 665 1 1 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.440 0.179 19221 666 1 1 . 1 1 117 117 ILE C C 117 177.806 177.806 177.979 -0.173 19221 667 1 1 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.910 -1.320 19221 668 1 1 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.272 -0.911 19221 669 1 1 . 1 1 117 117 ILE H H 117 8.032 8.032 8.053 -0.021 19221 670 1 1 . 1 1 118 118 GLU N N 118 121.200 121.200 120.949 0.251 19221 671 1 1 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.188 0.012 19221 672 1 1 . 1 1 118 118 GLU C C 118 178.314 178.314 179.212 -0.898 19221 673 1 1 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.933 0.047 19221 674 1 1 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.799 -0.419 19221 675 1 1 . 1 1 118 118 GLU H H 118 8.176 8.176 8.639 -0.463 19221 676 1 1 . 1 1 119 119 THR N N 119 114.460 114.460 116.843 -2.383 19221 677 1 1 . 1 1 119 119 THR HA H 119 3.917 3.917 4.024 -0.107 19221 678 1 1 . 1 1 119 119 THR C C 119 175.551 175.551 177.130 -1.579 19221 679 1 1 . 1 1 119 119 THR CA C 119 67.470 67.470 67.139 0.331 19221 680 1 1 . 1 1 119 119 THR CB C 119 69.110 69.110 68.706 0.404 19221 681 1 1 . 1 1 119 119 THR H H 119 8.008 8.008 8.136 -0.128 19221 682 1 1 . 1 1 120 120 VAL N N 120 118.050 118.050 121.217 -3.167 19221 683 1 1 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.694 -0.074 19221 684 1 1 . 1 1 120 120 VAL C C 120 178.213 178.213 177.814 0.399 19221 685 1 1 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.743 -0.723 19221 686 1 1 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.479 0.351 19221 687 1 1 . 1 1 120 120 VAL H H 120 7.800 7.800 8.370 -0.570 19221 688 1 1 . 1 1 121 121 PHE N N 121 118.360 118.360 121.543 -3.183 19221 689 1 1 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.179 0.041 19221 690 1 1 . 1 1 121 121 PHE C C 121 178.739 178.739 177.631 1.108 19221 691 1 1 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.654 -0.114 19221 692 1 1 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.093 1.037 19221 693 1 1 . 1 1 121 121 PHE H H 121 8.370 8.370 8.125 0.245 19221 694 1 1 . 1 1 122 122 VAL N N 122 118.710 118.710 117.857 0.853 19221 695 1 1 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.538 0.087 19221 696 1 1 . 1 1 122 122 VAL C C 122 178.247 178.247 177.232 1.015 19221 697 1 1 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.734 0.116 19221 698 1 1 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.655 0.226 19221 699 1 1 . 1 1 122 122 VAL H H 122 8.959 8.959 8.728 0.231 19221 700 1 1 . 1 1 123 123 LYS N N 123 115.960 115.960 117.283 -1.323 19221 701 1 1 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.223 0.093 19221 702 1 1 . 1 1 123 123 LYS C C 123 176.148 176.148 175.829 0.319 19221 703 1 1 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.885 0.645 19221 704 1 1 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.009 0.021 19221 705 1 1 . 1 1 123 123 LYS H H 123 7.688 7.688 7.761 -0.073 19221 706 1 1 . 1 1 124 124 ASN N N 124 117.440 117.440 116.742 0.698 19221 707 1 1 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.378 -0.034 19221 708 1 1 . 1 1 124 124 ASN C C 124 174.205 174.205 174.514 -0.309 19221 709 1 1 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.817 0.103 19221 710 1 1 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.462 -0.392 19221 711 1 1 . 1 1 124 124 ASN H H 124 7.560 7.560 7.641 -0.081 19221 712 1 1 . 1 1 125 125 ILE N N 125 116.780 116.780 117.776 -0.996 19221 713 1 1 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.030 0.080 19221 714 1 1 . 1 1 125 125 ILE C C 125 175.909 175.909 175.485 0.424 19221 715 1 1 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.964 -0.394 19221 716 1 1 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.199 1.771 19221 717 1 1 . 1 1 125 125 ILE H H 125 7.658 7.658 7.561 0.097 19221 718 1 1 . 1 1 126 126 ARG N N 126 122.400 122.400 122.386 0.014 19221 719 1 1 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.493 0.138 19221 720 1 1 . 1 1 126 126 ARG C C 126 175.296 175.296 175.139 0.157 19221 721 1 1 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.401 -0.191 19221 722 1 1 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.947 -0.730 19221 723 1 1 . 1 1 126 126 ARG H H 126 8.658 8.658 8.538 0.120 19221 724 1 1 . 1 1 127 127 MET N N 127 119.870 119.870 119.429 0.441 19221 725 1 1 . 1 1 127 127 MET HA H 127 5.412 5.412 5.230 0.182 19221 726 1 1 . 1 1 127 127 MET C C 127 174.169 174.169 174.341 -0.172 19221 727 1 1 . 1 1 127 127 MET CA C 127 55.130 55.130 54.523 0.608 19221 728 1 1 . 1 1 127 127 MET CB C 127 35.300 35.300 35.367 -0.068 19221 729 1 1 . 1 1 127 127 MET H H 127 7.487 7.487 7.721 -0.234 19221 730 1 1 . 1 1 128 128 LEU N N 128 124.940 124.940 125.829 -0.889 19221 731 1 1 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.975 -0.085 19221 732 1 1 . 1 1 128 128 LEU C C 128 174.857 174.857 174.735 0.122 19221 733 1 1 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.742 0.428 19221 734 1 1 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.176 -1.086 19221 735 1 1 . 1 1 128 128 LEU H H 128 8.961 8.961 9.042 -0.081 19221 736 1 1 . 1 1 129 129 SER N N 129 119.080 119.080 114.101 4.979 19221 737 1 1 . 1 1 129 129 SER HA H 129 5.503 5.503 5.150 0.353 19221 738 1 1 . 1 1 129 129 SER C C 129 176.225 176.225 175.472 0.753 19221 739 1 1 . 1 1 129 129 SER CA C 129 56.630 56.630 57.218 -0.588 19221 740 1 1 . 1 1 129 129 SER CB C 129 66.030 66.030 64.985 1.045 19221 741 1 1 . 1 1 129 129 SER H H 129 9.512 9.512 8.322 1.190 19221 742 1 1 . 1 1 130 130 PHE N N 130 120.530 120.530 123.505 -2.975 19221 743 1 1 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.140 0.300 19221 744 1 1 . 1 1 130 130 PHE C C 130 179.046 179.046 177.546 1.500 19221 745 1 1 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.954 -1.224 19221 746 1 1 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.209 -1.689 19221 747 1 1 . 1 1 130 130 PHE H H 130 8.712 8.712 9.149 -0.437 19221 748 1 1 . 1 1 131 131 GLU N N 131 121.180 121.180 120.409 0.771 19221 749 1 1 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.830 0.195 19221 750 1 1 . 1 1 131 131 GLU C C 131 178.039 178.039 178.139 -0.100 19221 751 1 1 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.459 -0.589 19221 752 1 1 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.112 0.358 19221 753 1 1 . 1 1 131 131 GLU H H 131 8.961 8.961 8.693 0.268 19221 754 1 1 . 1 1 132 132 ASP N N 132 120.930 120.930 119.282 1.648 19221 755 1 1 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.408 -0.011 19221 756 1 1 . 1 1 132 132 ASP C C 132 180.369 180.369 178.829 1.540 19221 757 1 1 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.129 0.561 19221 758 1 1 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.656 0.084 19221 759 1 1 . 1 1 132 132 ASP H H 132 8.369 8.369 7.699 0.670 19221 760 1 1 . 1 1 133 133 ILE N N 133 120.360 120.360 119.876 0.484 19221 761 1 1 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.492 0.017 19221 762 1 1 . 1 1 133 133 ILE C C 133 178.895 178.895 178.166 0.729 19221 763 1 1 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.652 0.628 19221 764 1 1 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.757 -0.227 19221 765 1 1 . 1 1 133 133 ILE H H 133 8.062 8.062 7.947 0.115 19221 766 1 1 . 1 1 134 134 SER N N 134 120.050 120.050 117.746 2.304 19221 767 1 1 . 1 1 134 134 SER HA H 134 4.074 4.074 4.167 -0.093 19221 768 1 1 . 1 1 134 134 SER C C 134 176.934 176.934 176.506 0.428 19221 769 1 1 . 1 1 134 134 SER CA C 134 61.240 61.240 62.099 -0.859 19221 770 1 1 . 1 1 134 134 SER CB C 134 63.400 63.400 62.998 0.402 19221 771 1 1 . 1 1 134 134 SER H H 134 8.823 8.823 8.430 0.393 19221 772 1 1 . 1 1 135 135 LYS N N 135 119.060 119.060 120.750 -1.690 19221 773 1 1 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.856 0.074 19221 774 1 1 . 1 1 135 135 LYS C C 135 178.986 178.986 178.007 0.979 19221 775 1 1 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.867 0.403 19221 776 1 1 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.161 0.309 19221 777 1 1 . 1 1 135 135 LYS H H 135 8.258 8.258 8.194 0.064 19221 778 1 1 . 1 1 136 136 ALA N N 136 118.350 118.350 118.621 -0.271 19221 779 1 1 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.212 -0.010 19221 780 1 1 . 1 1 136 136 ALA C C 136 178.653 178.653 176.463 2.190 19221 781 1 1 . 1 1 136 136 ALA CA C 136 54.480 54.480 52.685 1.795 19221 782 1 1 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.098 -0.257 19221 783 1 1 . 1 1 136 136 ALA H H 136 7.538 7.538 7.624 -0.086 19221 784 1 1 . 1 1 137 137 THR N N 137 101.770 101.770 107.104 -5.334 19221 785 1 1 . 1 1 137 137 THR HA H 137 4.274 4.274 4.570 -0.296 19221 786 1 1 . 1 1 137 137 THR C C 137 172.932 172.932 174.307 -1.375 19221 787 1 1 . 1 1 137 137 THR CA C 137 61.990 61.990 62.074 -0.084 19221 788 1 1 . 1 1 137 137 THR CB C 137 71.200 71.200 71.085 0.115 19221 789 1 1 . 1 1 137 137 THR H H 137 7.777 7.777 7.136 0.641 19221 790 1 1 . 1 1 138 138 HIS N N 138 113.660 113.660 116.630 -2.970 19221 791 1 1 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.109 -0.150 19221 792 1 1 . 1 1 138 138 HIS C C 138 173.700 173.700 173.826 -0.126 19221 793 1 1 . 1 1 138 138 HIS CA C 138 56.330 56.330 58.021 -1.691 19221 794 1 1 . 1 1 138 138 HIS CB C 138 25.410 25.410 26.486 -1.076 19221 795 1 1 . 1 1 138 138 HIS H H 138 7.567 7.567 8.141 -0.574 19221 796 1 1 . 1 1 139 139 LEU N N 139 120.070 120.070 120.680 -0.610 19221 797 1 1 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.660 0.183 19221 798 1 1 . 1 1 139 139 LEU C C 139 174.376 174.376 175.609 -1.233 19221 799 1 1 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.168 -0.298 19221 800 1 1 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.471 2.279 19221 801 1 1 . 1 1 139 139 LEU H H 139 7.513 7.513 7.288 0.225 19221 802 1 1 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.552 -0.161 19221 803 1 1 . 1 1 140 140 PRO C C 140 177.985 177.985 178.389 -0.404 19221 804 1 1 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.338 0.052 19221 805 1 1 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.789 -0.719 19221 806 1 1 . 1 1 141 141 LYS N N 141 123.930 123.930 120.650 3.280 19221 807 1 1 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.898 -0.079 19221 808 1 1 . 1 1 141 141 LYS C C 141 178.083 178.083 178.487 -0.404 19221 809 1 1 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.239 0.591 19221 810 1 1 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.384 -0.494 19221 811 1 1 . 1 1 141 141 LYS H H 141 8.950 8.950 8.677 0.273 19221 812 1 1 . 1 1 142 142 ASP N N 142 114.510 114.510 115.065 -0.555 19221 813 1 1 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.552 -0.057 19221 814 1 1 . 1 1 142 142 ASP C C 142 176.656 176.656 177.053 -0.397 19221 815 1 1 . 1 1 142 142 ASP CA C 142 55.590 55.590 55.865 -0.275 19221 816 1 1 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.768 -1.028 19221 817 1 1 . 1 1 142 142 ASP H H 142 8.491 8.491 8.430 0.061 19221 818 1 1 . 1 1 143 143 ASN N N 143 116.400 116.400 116.271 0.129 19221 819 1 1 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.817 0.249 19221 820 1 1 . 1 1 143 143 ASN C C 143 175.954 175.954 176.391 -0.437 19221 821 1 1 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.429 -0.209 19221 822 1 1 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.193 0.757 19221 823 1 1 . 1 1 143 143 ASN H H 143 8.191 8.191 7.869 0.323 19221 824 1 1 . 1 1 144 144 VAL N N 144 120.490 120.490 122.152 -1.662 19221 825 1 1 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.573 -0.250 19221 826 1 1 . 1 1 144 144 VAL C C 144 176.423 176.423 175.839 0.584 19221 827 1 1 . 1 1 144 144 VAL CA C 144 66.990 66.990 64.868 2.122 19221 828 1 1 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.365 0.075 19221 829 1 1 . 1 1 144 144 VAL H H 144 7.472 7.472 7.952 -0.480 19221 830 1 1 . 1 1 145 145 GLU N N 145 122.340 122.340 119.295 3.045 19221 831 1 1 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.446 -0.185 19221 832 1 1 . 1 1 145 145 GLU C C 145 177.853 177.853 178.165 -0.312 19221 833 1 1 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.289 1.541 19221 834 1 1 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.480 0.330 19221 835 1 1 . 1 1 145 145 GLU H H 145 9.141 9.141 8.136 1.005 19221 836 1 1 . 1 1 146 146 HIS N N 146 116.970 116.970 117.933 -0.963 19221 837 1 1 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.441 -0.267 19221 838 1 1 . 1 1 146 146 HIS C C 146 177.947 177.947 177.705 0.242 19221 839 1 1 . 1 1 146 146 HIS CA C 146 59.540 59.540 58.576 0.964 19221 840 1 1 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.779 0.671 19221 841 1 1 . 1 1 146 146 HIS H H 146 8.162 8.162 7.595 0.567 19221 842 1 1 . 1 1 147 147 LEU N N 147 120.670 120.670 120.752 -0.082 19221 843 1 1 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.148 -0.188 19221 844 1 1 . 1 1 147 147 LEU C C 147 178.427 178.427 178.647 -0.220 19221 845 1 1 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.826 0.444 19221 846 1 1 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.551 0.185 19221 847 1 1 . 1 1 147 147 LEU H H 147 7.336 7.336 7.485 -0.149 19221 848 1 1 . 1 1 148 148 VAL N N 148 118.060 118.060 116.246 1.814 19221 849 1 1 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.716 -0.493 19221 850 1 1 . 1 1 148 148 VAL C C 148 177.801 177.801 178.221 -0.420 19221 851 1 1 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.392 1.569 19221 852 1 1 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.741 0.269 19221 853 1 1 . 1 1 148 148 VAL H H 148 8.172 8.172 7.628 0.544 19221 854 1 1 . 1 1 149 149 MET N N 149 117.770 117.770 120.011 -2.241 19221 855 1 1 . 1 1 149 149 MET HA H 149 4.123 4.123 4.011 0.112 19221 856 1 1 . 1 1 149 149 MET C C 149 179.823 179.823 178.608 1.215 19221 857 1 1 . 1 1 149 149 MET CA C 149 58.630 58.630 59.446 -0.816 19221 858 1 1 . 1 1 149 149 MET CB C 149 31.496 31.496 32.080 -0.583 19221 859 1 1 . 1 1 149 149 MET H H 149 8.585 8.585 8.435 0.150 19221 860 1 1 . 1 1 150 150 ARG N N 150 121.900 121.900 118.933 2.967 19221 861 1 1 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.139 -0.045 19221 862 1 1 . 1 1 150 150 ARG C C 150 177.928 177.928 178.564 -0.636 19221 863 1 1 . 1 1 150 150 ARG CA C 150 58.150 58.150 58.485 -0.335 19221 864 1 1 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.605 -0.855 19221 865 1 1 . 1 1 150 150 ARG H H 150 8.160 8.160 7.961 0.199 19221 866 1 1 . 1 1 151 151 ALA N N 151 121.710 121.710 121.710 0.000 19221 867 1 1 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.989 -0.191 19221 868 1 1 . 1 1 151 151 ALA C C 151 179.518 179.518 179.044 0.474 19221 869 1 1 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.229 0.511 19221 870 1 1 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.263 -0.373 19221 871 1 1 . 1 1 151 151 ALA H H 151 8.165 8.165 7.593 0.572 19221 872 1 1 . 1 1 152 152 ILE N N 152 118.590 118.590 118.236 0.354 19221 873 1 1 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.824 0.558 19221 874 1 1 . 1 1 152 152 ILE C C 152 181.439 181.439 179.008 2.431 19221 875 1 1 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.269 0.291 19221 876 1 1 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.821 0.879 19221 877 1 1 . 1 1 152 152 ILE H H 152 8.331 8.331 7.605 0.726 19221 878 1 1 . 1 1 153 153 SER N N 153 120.250 120.250 116.922 3.328 19221 879 1 1 . 1 1 153 153 SER HA H 153 4.279 4.279 4.181 0.098 19221 880 1 1 . 1 1 153 153 SER C C 153 176.745 176.745 176.504 0.241 19221 881 1 1 . 1 1 153 153 SER CA C 153 62.040 62.040 61.465 0.575 19221 882 1 1 . 1 1 153 153 SER CB C 153 62.930 62.930 62.983 -0.053 19221 883 1 1 . 1 1 153 153 SER H H 153 8.756 8.756 7.944 0.812 19221 884 1 1 . 1 1 154 154 LEU N N 154 119.480 119.480 117.927 1.553 19221 885 1 1 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.240 0.105 19221 886 1 1 . 1 1 154 154 LEU C C 154 177.351 177.351 177.406 -0.055 19221 887 1 1 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.708 -0.253 19221 888 1 1 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.856 2.143 19221 889 1 1 . 1 1 154 154 LEU H H 154 8.129 8.129 8.170 -0.041 19221 890 1 1 . 1 1 155 155 GLY N N 155 106.990 106.990 106.814 0.176 19221 891 1 1 . 1 1 155 155 GLY C C 155 174.867 174.867 175.382 -0.515 19221 892 1 1 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.313 -0.513 19221 893 1 1 . 1 1 155 155 GLY H H 155 8.023 8.023 7.902 0.121 19221 894 1 1 . 1 1 156 156 LEU N N 156 116.510 116.510 118.523 -2.013 19221 895 1 1 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.288 -0.028 19221 896 1 1 . 1 1 156 156 LEU C C 156 175.387 175.387 176.106 -0.719 19221 897 1 1 . 1 1 156 156 LEU CA C 156 55.930 55.930 55.940 -0.010 19221 898 1 1 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.407 0.813 19221 899 1 1 . 1 1 156 156 LEU H H 156 8.101 8.101 7.537 0.564 19221 900 1 1 . 1 1 157 157 LEU N N 157 112.790 112.790 111.458 1.332 19221 901 1 1 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.032 -0.032 19221 902 1 1 . 1 1 157 157 LEU C C 157 175.382 175.382 174.815 0.567 19221 903 1 1 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.667 -0.027 19221 904 1 1 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.244 1.316 19221 905 1 1 . 1 1 157 157 LEU H H 157 7.194 7.194 7.392 -0.198 19221 906 1 1 . 1 1 158 158 LYS N N 158 121.010 121.010 120.593 0.417 19221 907 1 1 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.843 -0.048 19221 908 1 1 . 1 1 158 158 LYS C C 158 175.461 175.461 175.482 -0.021 19221 909 1 1 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.510 0.550 19221 910 1 1 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.276 1.915 19221 911 1 1 . 1 1 158 158 LYS H H 158 9.056 9.056 8.888 0.168 19221 912 1 1 . 1 1 159 159 GLY N N 159 109.800 109.800 111.240 -1.440 19221 913 1 1 . 1 1 159 159 GLY C C 159 170.992 170.992 173.001 -2.009 19221 914 1 1 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.195 0.945 19221 915 1 1 . 1 1 159 159 GLY H H 159 8.287 8.287 8.132 0.155 19221 916 1 1 . 1 1 160 160 SER N N 160 112.940 112.940 114.947 -2.007 19221 917 1 1 . 1 1 160 160 SER HA H 160 4.780 4.780 4.747 0.033 19221 918 1 1 . 1 1 160 160 SER C C 160 172.525 172.525 173.366 -0.841 19221 919 1 1 . 1 1 160 160 SER CA C 160 56.840 56.840 57.503 -0.663 19221 920 1 1 . 1 1 160 160 SER CB C 160 65.660 65.660 65.918 -0.258 19221 921 1 1 . 1 1 160 160 SER H H 160 8.847 8.847 8.839 0.008 19221 922 1 1 . 1 1 161 161 ILE N N 161 123.020 123.020 124.388 -1.368 19221 923 1 1 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.057 0.349 19221 924 1 1 . 1 1 161 161 ILE C C 161 174.457 174.457 175.603 -1.146 19221 925 1 1 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.584 -0.165 19221 926 1 1 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.632 1.596 19221 927 1 1 . 1 1 161 161 ILE H H 161 8.867 8.867 8.710 0.157 19221 928 1 1 . 1 1 162 162 ASP N N 162 128.130 128.130 124.718 3.412 19221 929 1 1 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.863 0.053 19221 930 1 1 . 1 1 162 162 ASP C C 162 176.575 176.575 176.252 0.323 19221 931 1 1 . 1 1 162 162 ASP CA C 162 51.740 51.740 53.012 -1.272 19221 932 1 1 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.578 0.562 19221 933 1 1 . 1 1 162 162 ASP H H 162 8.955 8.955 8.724 0.231 19221 934 1 1 . 1 1 163 163 GLN N N 163 123.480 123.480 121.366 2.114 19221 935 1 1 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.776 0.077 19221 936 1 1 . 1 1 163 163 GLN C C 163 177.627 177.627 177.427 0.200 19221 937 1 1 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.588 0.622 19221 938 1 1 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.013 0.907 19221 939 1 1 . 1 1 163 163 GLN H H 163 8.982 8.982 8.591 0.391 19221 940 1 1 . 1 1 164 164 VAL N N 164 119.220 119.220 118.964 0.256 19221 941 1 1 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.775 -0.092 19221 942 1 1 . 1 1 164 164 VAL C C 164 177.519 177.519 176.433 1.086 19221 943 1 1 . 1 1 164 164 VAL CA C 164 65.770 65.770 63.907 1.863 19221 944 1 1 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.630 0.300 19221 945 1 1 . 1 1 164 164 VAL H H 164 7.974 7.974 8.127 -0.153 19221 946 1 1 . 1 1 165 165 ASN N N 165 114.430 114.430 117.187 -2.757 19221 947 1 1 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.688 -0.087 19221 948 1 1 . 1 1 165 165 ASN C C 165 172.795 172.795 174.061 -1.266 19221 949 1 1 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.176 -0.276 19221 950 1 1 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.179 -0.349 19221 951 1 1 . 1 1 165 165 ASN H H 165 7.502 7.502 7.721 -0.219 19221 952 1 1 . 1 1 166 166 GLU N N 166 116.970 116.970 114.138 2.832 19221 953 1 1 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.566 -0.552 19221 954 1 1 . 1 1 166 166 GLU C C 166 174.562 174.562 173.542 1.020 19221 955 1 1 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.760 -0.532 19221 956 1 1 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.923 -0.107 19221 957 1 1 . 1 1 166 166 GLU H H 166 7.268 7.268 7.703 -0.435 19221 958 1 1 . 1 1 167 167 LEU N N 167 117.360 117.360 116.579 0.781 19221 959 1 1 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.068 -0.070 19221 960 1 1 . 1 1 167 167 LEU C C 167 175.659 175.659 175.115 0.544 19221 961 1 1 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.601 0.069 19221 962 1 1 . 1 1 167 167 LEU CB C 167 47.310 47.310 47.158 0.152 19221 963 1 1 . 1 1 167 167 LEU H H 167 7.699 7.699 7.459 0.240 19221 964 1 1 . 1 1 168 168 VAL N N 168 125.350 125.350 117.510 7.840 19221 965 1 1 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.776 0.063 19221 966 1 1 . 1 1 168 168 VAL C C 168 174.792 174.792 174.652 0.140 19221 967 1 1 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.959 0.171 19221 968 1 1 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.277 -1.928 19221 969 1 1 . 1 1 168 168 VAL H H 168 9.445 9.445 9.017 0.428 19221 970 1 1 . 1 1 169 169 THR N N 169 123.020 123.020 121.513 1.507 19221 971 1 1 . 1 1 169 169 THR HA H 169 4.869 4.869 5.086 -0.217 19221 972 1 1 . 1 1 169 169 THR C C 169 173.876 173.876 173.395 0.481 19221 973 1 1 . 1 1 169 169 THR CA C 169 61.580 61.580 61.516 0.064 19221 974 1 1 . 1 1 169 169 THR CB C 169 69.750 69.750 70.299 -0.549 19221 975 1 1 . 1 1 169 169 THR H H 169 8.824 8.824 9.018 -0.194 19221 976 1 1 . 1 1 170 170 ILE N N 170 126.700 126.700 126.787 -0.087 19221 977 1 1 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.268 0.274 19221 978 1 1 . 1 1 170 170 ILE C C 170 175.672 175.672 175.490 0.182 19221 979 1 1 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.547 -0.217 19221 980 1 1 . 1 1 170 170 ILE CB C 170 39.610 39.610 39.572 0.038 19221 981 1 1 . 1 1 170 170 ILE H H 170 8.911 8.911 8.589 0.322 19221 982 1 1 . 1 1 171 171 SER N N 171 122.780 122.780 118.965 3.815 19221 983 1 1 . 1 1 171 171 SER HA H 171 4.670 4.670 4.783 -0.113 19221 984 1 1 . 1 1 171 171 SER C C 171 174.700 174.700 173.668 1.032 19221 985 1 1 . 1 1 171 171 SER CA C 171 58.280 58.280 58.801 -0.521 19221 986 1 1 . 1 1 171 171 SER CB C 171 64.560 64.560 65.764 -1.204 19221 987 1 1 . 1 1 171 171 SER H H 171 9.242 9.242 9.132 0.110 19221 988 1 1 . 1 1 172 172 TRP N N 172 123.970 123.970 120.914 3.056 19221 989 1 1 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.855 -0.220 19221 990 1 1 . 1 1 172 172 TRP C C 172 172.618 172.618 173.490 -0.872 19221 991 1 1 . 1 1 172 172 TRP CA C 172 58.910 58.910 57.986 0.924 19221 992 1 1 . 1 1 172 172 TRP CB C 172 31.650 31.650 33.021 -1.371 19221 993 1 1 . 1 1 172 172 TRP H H 172 7.929 7.929 7.782 0.147 19221 994 1 1 . 1 1 173 173 VAL N N 173 123.660 123.660 122.389 1.271 19221 995 1 1 . 1 1 173 173 VAL HA H 173 4.130 4.130 3.986 0.144 19221 996 1 1 . 1 1 173 173 VAL C C 173 170.746 170.746 172.524 -1.778 19221 997 1 1 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.548 -0.449 19221 998 1 1 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.695 0.525 19221 999 1 1 . 1 1 173 173 VAL H H 173 6.764 6.764 7.193 -0.429 19221 1000 1 1 . 1 1 174 174 GLN N N 174 126.430 126.430 126.902 -0.472 19221 1001 1 1 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.978 -0.372 19221 1002 1 1 . 1 1 174 174 GLN C C 174 172.955 172.955 173.940 -0.985 19221 1003 1 1 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.873 -0.823 19221 1004 1 1 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.974 0.786 19221 1005 1 1 . 1 1 174 174 GLN H H 174 7.071 7.071 7.942 -0.871 19221 1006 1 1 . 1 1 175 175 PRO HA H 175 3.861 3.861 2.777 1.084 19221 1007 1 1 . 1 1 175 175 PRO C C 175 175.955 175.955 175.553 0.402 19221 1008 1 1 . 1 1 175 175 PRO CA C 175 62.750 62.750 62.943 -0.193 19221 1009 1 1 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.969 0.431 19221 1010 1 2 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.025 0.115 19221 1011 1 2 . 1 1 2 2 LYS CA C 2 56.090 56.090 55.379 0.711 19221 1012 1 2 . 1 1 2 2 LYS CB C 2 32.930 32.930 31.194 1.736 19221 1013 1 2 . 1 1 4 4 ASP C C 4 176.140 176.140 176.114 0.026 19221 1014 1 2 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.553 1.977 19221 1015 1 2 . 1 1 4 4 ASP CB C 4 41.980 41.980 42.247 -0.267 19221 1016 1 2 . 1 1 5 5 PHE N N 5 122.270 122.270 123.950 -1.680 19221 1017 1 2 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.301 -0.122 19221 1018 1 2 . 1 1 5 5 PHE C C 5 177.706 177.706 177.033 0.673 19221 1019 1 2 . 1 1 5 5 PHE CA C 5 61.880 61.880 60.830 1.050 19221 1020 1 2 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.355 -0.455 19221 1021 1 2 . 1 1 5 5 PHE H H 5 7.853 7.853 8.436 -0.583 19221 1022 1 2 . 1 1 6 6 ASN N N 6 114.920 114.920 117.469 -2.549 19221 1023 1 2 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.680 -0.279 19221 1024 1 2 . 1 1 6 6 ASN C C 6 176.990 176.990 177.067 -0.077 19221 1025 1 2 . 1 1 6 6 ASN CA C 6 56.470 56.470 55.680 0.790 19221 1026 1 2 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.611 0.612 19221 1027 1 2 . 1 1 6 6 ASN H H 6 8.051 8.051 8.515 -0.464 19221 1028 1 2 . 1 1 7 7 SER N N 7 112.970 112.970 116.101 -3.131 19221 1029 1 2 . 1 1 7 7 SER HA H 7 4.435 4.435 4.319 0.116 19221 1030 1 2 . 1 1 7 7 SER C C 7 177.780 177.780 176.381 1.399 19221 1031 1 2 . 1 1 7 7 SER CA C 7 61.440 61.440 61.660 -0.220 19221 1032 1 2 . 1 1 7 7 SER CB C 7 62.770 62.770 63.366 -0.596 19221 1033 1 2 . 1 1 7 7 SER H H 7 8.041 8.041 8.522 -0.481 19221 1034 1 2 . 1 1 8 8 PHE N N 8 123.560 123.560 124.289 -0.729 19221 1035 1 2 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.340 -0.273 19221 1036 1 2 . 1 1 8 8 PHE C C 8 177.959 177.959 177.151 0.808 19221 1037 1 2 . 1 1 8 8 PHE CA C 8 62.110 62.110 60.282 1.828 19221 1038 1 2 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.130 -0.164 19221 1039 1 2 . 1 1 8 8 PHE H H 8 8.364 8.364 8.213 0.151 19221 1040 1 2 . 1 1 9 9 TYR N N 9 122.550 122.550 122.049 0.501 19221 1041 1 2 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.022 -0.022 19221 1042 1 2 . 1 1 9 9 TYR C C 9 176.360 176.360 177.021 -0.661 19221 1043 1 2 . 1 1 9 9 TYR CA C 9 62.010 62.010 61.491 0.519 19221 1044 1 2 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.008 0.192 19221 1045 1 2 . 1 1 9 9 TYR H H 9 8.230 8.230 8.373 -0.143 19221 1046 1 2 . 1 1 10 10 TYR N N 10 115.490 115.490 117.999 -2.509 19221 1047 1 2 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.997 0.109 19221 1048 1 2 . 1 1 10 10 TYR C C 10 180.280 180.280 177.119 3.161 19221 1049 1 2 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.748 0.772 19221 1050 1 2 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.542 -0.612 19221 1051 1 2 . 1 1 10 10 TYR H H 10 7.958 7.958 8.267 -0.309 19221 1052 1 2 . 1 1 11 11 THR N N 11 115.140 115.140 116.475 -1.335 19221 1053 1 2 . 1 1 11 11 THR HA H 11 3.934 3.934 3.560 0.374 19221 1054 1 2 . 1 1 11 11 THR CA C 11 66.560 66.560 66.959 -0.399 19221 1055 1 2 . 1 1 11 11 THR CB C 11 68.750 68.750 67.648 1.102 19221 1056 1 2 . 1 1 11 11 THR H H 11 8.806 8.806 7.653 1.153 19221 1057 1 2 . 1 1 12 12 SER N N 12 120.384 120.384 117.297 3.087 19221 1058 1 2 . 1 1 12 12 SER HA H 12 3.346 3.346 3.987 -0.641 19221 1059 1 2 . 1 1 12 12 SER C C 12 175.891 175.891 176.152 -0.261 19221 1060 1 2 . 1 1 12 12 SER CA C 12 62.740 62.740 61.403 1.337 19221 1061 1 2 . 1 1 12 12 SER CB C 12 62.580 62.580 62.941 -0.361 19221 1062 1 2 . 1 1 12 12 SER H H 12 8.151 8.151 7.896 0.256 19221 1063 1 2 . 1 1 13 13 LEU N N 13 121.640 121.640 121.073 0.567 19221 1064 1 2 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.944 -0.143 19221 1065 1 2 . 1 1 13 13 LEU C C 13 180.374 180.374 178.654 1.720 19221 1066 1 2 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.145 1.205 19221 1067 1 2 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.908 -0.498 19221 1068 1 2 . 1 1 13 13 LEU H H 13 7.893 7.893 7.306 0.587 19221 1069 1 2 . 1 1 14 14 LEU N N 14 120.470 120.470 120.711 -0.241 19221 1070 1 2 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.763 0.398 19221 1071 1 2 . 1 1 14 14 LEU C C 14 179.880 179.880 178.261 1.619 19221 1072 1 2 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.375 0.625 19221 1073 1 2 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.606 -0.056 19221 1074 1 2 . 1 1 14 14 LEU H H 14 7.528 7.528 8.171 -0.643 19221 1075 1 2 . 1 1 15 15 TYR N N 15 122.257 122.257 119.217 3.040 19221 1076 1 2 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.132 0.133 19221 1077 1 2 . 1 1 15 15 TYR C C 15 177.033 177.033 177.635 -0.602 19221 1078 1 2 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.920 -0.190 19221 1079 1 2 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.334 -0.234 19221 1080 1 2 . 1 1 15 15 TYR H H 15 8.135 8.135 8.226 -0.091 19221 1081 1 2 . 1 1 16 16 LEU N N 16 118.440 118.440 118.459 -0.019 19221 1082 1 2 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.804 0.001 19221 1083 1 2 . 1 1 16 16 LEU C C 16 179.055 179.055 179.078 -0.023 19221 1084 1 2 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.568 -0.355 19221 1085 1 2 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.678 0.387 19221 1086 1 2 . 1 1 16 16 LEU H H 16 8.452 8.452 7.868 0.584 19221 1087 1 2 . 1 1 17 17 SER N N 17 114.450 114.450 114.887 -0.437 19221 1088 1 2 . 1 1 17 17 SER HA H 17 4.430 4.430 4.205 0.225 19221 1089 1 2 . 1 1 17 17 SER C C 17 175.197 175.197 176.286 -1.089 19221 1090 1 2 . 1 1 17 17 SER CA C 17 61.040 61.040 61.241 -0.201 19221 1091 1 2 . 1 1 17 17 SER CB C 17 63.460 63.460 62.958 0.502 19221 1092 1 2 . 1 1 17 17 SER H H 17 7.848 7.848 7.696 0.152 19221 1093 1 2 . 1 1 18 18 THR N N 18 110.850 110.850 111.985 -1.135 19221 1094 1 2 . 1 1 18 18 THR HA H 18 4.452 4.452 4.234 0.218 19221 1095 1 2 . 1 1 18 18 THR C C 18 174.439 174.439 174.339 0.100 19221 1096 1 2 . 1 1 18 18 THR CA C 18 61.421 61.421 62.967 -1.546 19221 1097 1 2 . 1 1 18 18 THR CB C 18 69.940 69.940 69.258 0.682 19221 1098 1 2 . 1 1 18 18 THR H H 18 7.505 7.505 7.874 -0.369 19221 1099 1 2 . 1 1 19 19 LEU N N 19 123.180 123.180 122.236 0.944 19221 1100 1 2 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.517 -0.357 19221 1101 1 2 . 1 1 19 19 LEU C C 19 176.926 176.926 174.274 2.652 19221 1102 1 2 . 1 1 19 19 LEU CA C 19 55.290 55.290 53.593 1.697 19221 1103 1 2 . 1 1 19 19 LEU CB C 19 42.448 42.448 45.482 -3.034 19221 1104 1 2 . 1 1 19 19 LEU H H 19 7.095 7.095 7.520 -0.425 19221 1105 1 2 . 1 1 20 20 GLU N N 20 125.330 125.330 118.785 6.545 19221 1106 1 2 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.848 -0.240 19221 1107 1 2 . 1 1 20 20 GLU C C 20 175.915 175.915 174.847 1.068 19221 1108 1 2 . 1 1 20 20 GLU CA C 20 54.773 54.773 53.432 1.341 19221 1109 1 2 . 1 1 20 20 GLU CB C 20 29.590 29.590 31.765 -2.175 19221 1110 1 2 . 1 1 20 20 GLU H H 20 8.535 8.535 8.534 0.001 19221 1111 1 2 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.358 -0.025 19221 1112 1 2 . 1 1 21 21 PRO C C 21 177.196 177.196 178.364 -1.168 19221 1113 1 2 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.706 0.074 19221 1114 1 2 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.852 -0.002 19221 1115 1 2 . 1 1 22 22 SER N N 22 111.220 111.220 115.874 -4.654 19221 1116 1 2 . 1 1 22 22 SER HA H 22 4.398 4.398 4.248 0.150 19221 1117 1 2 . 1 1 22 22 SER C C 22 175.056 175.056 175.582 -0.526 19221 1118 1 2 . 1 1 22 22 SER CA C 22 58.530 58.530 60.582 -2.052 19221 1119 1 2 . 1 1 22 22 SER CB C 22 63.500 63.500 63.166 0.334 19221 1120 1 2 . 1 1 22 22 SER H H 22 7.967 7.967 8.624 -0.657 19221 1121 1 2 . 1 1 23 23 THR N N 23 117.440 117.440 110.930 6.510 19221 1122 1 2 . 1 1 23 23 THR HA H 23 4.279 4.279 4.583 -0.304 19221 1123 1 2 . 1 1 23 23 THR C C 23 174.573 174.573 175.785 -1.212 19221 1124 1 2 . 1 1 23 23 THR CA C 23 62.920 62.920 61.861 1.059 19221 1125 1 2 . 1 1 23 23 THR CB C 23 69.260 69.260 70.787 -1.527 19221 1126 1 2 . 1 1 23 23 THR H H 23 7.936 7.936 7.795 0.141 19221 1127 1 2 . 1 1 24 24 SER N N 24 119.820 119.820 118.814 1.006 19221 1128 1 2 . 1 1 24 24 SER HA H 24 4.485 4.485 3.913 0.572 19221 1129 1 2 . 1 1 24 24 SER C C 24 174.082 174.082 173.671 0.411 19221 1130 1 2 . 1 1 24 24 SER CA C 24 58.600 58.600 60.844 -2.244 19221 1131 1 2 . 1 1 24 24 SER CB C 24 63.430 63.430 62.337 1.093 19221 1132 1 2 . 1 1 24 24 SER H H 24 8.438 8.438 8.436 0.002 19221 1133 1 2 . 1 1 25 25 ILE N N 25 123.140 123.140 120.720 2.420 19221 1134 1 2 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.431 0.048 19221 1135 1 2 . 1 1 25 25 ILE C C 25 176.472 176.472 175.426 1.046 19221 1136 1 2 . 1 1 25 25 ILE CA C 25 61.010 61.010 58.820 2.190 19221 1137 1 2 . 1 1 25 25 ILE CB C 25 39.460 39.460 41.105 -1.645 19221 1138 1 2 . 1 1 25 25 ILE H H 25 7.870 7.870 7.801 0.069 19221 1139 1 2 . 1 1 26 26 THR N N 26 118.120 118.120 115.148 2.972 19221 1140 1 2 . 1 1 26 26 THR HA H 26 4.394 4.394 4.599 -0.205 19221 1141 1 2 . 1 1 26 26 THR C C 26 175.540 175.540 175.251 0.289 19221 1142 1 2 . 1 1 26 26 THR CA C 26 61.890 61.890 61.375 0.515 19221 1143 1 2 . 1 1 26 26 THR CB C 26 71.320 71.320 69.901 1.419 19221 1144 1 2 . 1 1 26 26 THR H H 26 8.649 8.649 8.237 0.412 19221 1145 1 2 . 1 1 27 27 LEU N N 27 123.130 123.130 121.291 1.839 19221 1146 1 2 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.052 0.037 19221 1147 1 2 . 1 1 27 27 LEU C C 27 178.653 178.653 178.229 0.424 19221 1148 1 2 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.167 0.593 19221 1149 1 2 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.686 -0.506 19221 1150 1 2 . 1 1 27 27 LEU H H 27 8.766 8.766 8.414 0.352 19221 1151 1 2 . 1 1 28 28 ALA N N 28 119.510 119.510 121.136 -1.626 19221 1152 1 2 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.076 0.187 19221 1153 1 2 . 1 1 28 28 ALA C C 28 178.218 178.218 179.779 -1.561 19221 1154 1 2 . 1 1 28 28 ALA CA C 28 55.320 55.320 55.013 0.307 19221 1155 1 2 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.138 -0.018 19221 1156 1 2 . 1 1 28 28 ALA H H 28 8.546 8.546 8.324 0.222 19221 1157 1 2 . 1 1 29 29 GLU N N 29 118.210 118.210 117.617 0.593 19221 1158 1 2 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.165 -0.084 19221 1159 1 2 . 1 1 29 29 GLU C C 29 179.929 179.929 179.306 0.623 19221 1160 1 2 . 1 1 29 29 GLU CA C 29 59.300 59.300 58.968 0.332 19221 1161 1 2 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.476 0.600 19221 1162 1 2 . 1 1 29 29 GLU H H 29 7.719 7.719 8.096 -0.377 19221 1163 1 2 . 1 1 30 30 ARG N N 30 121.350 121.350 120.708 0.642 19221 1164 1 2 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.040 -0.081 19221 1165 1 2 . 1 1 30 30 ARG C C 30 177.538 177.538 178.849 -1.311 19221 1166 1 2 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.790 0.855 19221 1167 1 2 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.103 0.897 19221 1168 1 2 . 1 1 30 30 ARG H H 30 8.410 8.410 7.935 0.475 19221 1169 1 2 . 1 1 31 31 GLN N N 31 117.670 117.670 119.011 -1.341 19221 1170 1 2 . 1 1 31 31 GLN HA H 31 3.952 3.952 3.972 -0.020 19221 1171 1 2 . 1 1 31 31 GLN C C 31 178.220 178.220 178.798 -0.578 19221 1172 1 2 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.313 -0.358 19221 1173 1 2 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.571 0.059 19221 1174 1 2 . 1 1 31 31 GLN H H 31 8.742 8.742 8.311 0.431 19221 1175 1 2 . 1 1 32 32 GLN N N 32 117.910 117.910 118.685 -0.775 19221 1176 1 2 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.159 -0.172 19221 1177 1 2 . 1 1 32 32 GLN C C 32 177.712 177.712 178.751 -1.039 19221 1178 1 2 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.667 -0.337 19221 1179 1 2 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.522 -0.202 19221 1180 1 2 . 1 1 32 32 GLN H H 32 7.732 7.732 7.825 -0.093 19221 1181 1 2 . 1 1 33 33 LEU N N 33 119.680 119.680 121.100 -1.420 19221 1182 1 2 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.126 0.278 19221 1183 1 2 . 1 1 33 33 LEU C C 33 178.876 178.876 177.985 0.891 19221 1184 1 2 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.204 0.846 19221 1185 1 2 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.503 0.297 19221 1186 1 2 . 1 1 33 33 LEU H H 33 7.846 7.846 8.502 -0.656 19221 1187 1 2 . 1 1 34 34 ALA N N 34 121.660 121.660 122.929 -1.269 19221 1188 1 2 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.991 -0.250 19221 1189 1 2 . 1 1 34 34 ALA C C 34 180.025 180.025 179.339 0.686 19221 1190 1 2 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.136 0.534 19221 1191 1 2 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.007 0.933 19221 1192 1 2 . 1 1 34 34 ALA H H 34 8.308 8.308 8.619 -0.311 19221 1193 1 2 . 1 1 35 35 TYR N N 35 120.860 120.860 119.755 1.105 19221 1194 1 2 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.748 0.010 19221 1195 1 2 . 1 1 35 35 TYR C C 35 176.384 176.384 177.106 -0.722 19221 1196 1 2 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.206 0.814 19221 1197 1 2 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.083 0.377 19221 1198 1 2 . 1 1 35 35 TYR H H 35 8.457 8.457 8.378 0.079 19221 1199 1 2 . 1 1 36 36 ASP N N 36 120.570 120.570 119.695 0.875 19221 1200 1 2 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.105 0.130 19221 1201 1 2 . 1 1 36 36 ASP C C 36 180.544 180.544 178.934 1.610 19221 1202 1 2 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.708 0.232 19221 1203 1 2 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.788 -0.318 19221 1204 1 2 . 1 1 36 36 ASP H H 36 9.072 9.072 8.379 0.693 19221 1205 1 2 . 1 1 37 37 LEU N N 37 123.000 123.000 120.744 2.256 19221 1206 1 2 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.209 -0.063 19221 1207 1 2 . 1 1 37 37 LEU C C 37 178.743 178.743 179.507 -0.764 19221 1208 1 2 . 1 1 37 37 LEU CA C 37 58.614 58.614 57.912 0.702 19221 1209 1 2 . 1 1 37 37 LEU CB C 37 42.810 42.810 42.107 0.703 19221 1210 1 2 . 1 1 37 37 LEU H H 37 9.068 9.068 8.440 0.628 19221 1211 1 2 . 1 1 38 38 SER N N 38 116.650 116.650 115.797 0.853 19221 1212 1 2 . 1 1 38 38 SER HA H 38 3.680 3.680 4.136 -0.456 19221 1213 1 2 . 1 1 38 38 SER C C 38 174.113 174.113 176.589 -2.476 19221 1214 1 2 . 1 1 38 38 SER CA C 38 59.430 59.430 62.187 -2.757 19221 1215 1 2 . 1 1 38 38 SER CB C 38 63.559 63.559 62.781 0.778 19221 1216 1 2 . 1 1 38 38 SER H H 38 7.824 7.824 8.077 -0.253 19221 1217 1 2 . 1 1 39 39 ILE N N 39 121.198 121.198 122.593 -1.395 19221 1218 1 2 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.604 -0.199 19221 1219 1 2 . 1 1 39 39 ILE C C 39 176.113 176.113 177.534 -1.421 19221 1220 1 2 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.576 -1.216 19221 1221 1 2 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.471 -1.123 19221 1222 1 2 . 1 1 39 39 ILE H H 39 8.313 8.313 8.234 0.079 19221 1223 1 2 . 1 1 40 40 SER N N 40 115.537 115.537 115.764 -0.227 19221 1224 1 2 . 1 1 40 40 SER HA H 40 4.534 4.534 4.130 0.404 19221 1225 1 2 . 1 1 40 40 SER C C 40 174.881 174.881 176.709 -1.828 19221 1226 1 2 . 1 1 40 40 SER CA C 40 62.520 62.520 61.870 0.650 19221 1227 1 2 . 1 1 40 40 SER CB C 40 62.670 62.670 62.933 -0.263 19221 1228 1 2 . 1 1 40 40 SER H H 40 7.961 7.961 8.534 -0.573 19221 1229 1 2 . 1 1 41 41 ALA N N 41 123.360 123.360 125.590 -2.230 19221 1230 1 2 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.810 -0.218 19221 1231 1 2 . 1 1 41 41 ALA C C 41 178.822 178.822 180.259 -1.437 19221 1232 1 2 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.516 -0.394 19221 1233 1 2 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.493 -0.103 19221 1234 1 2 . 1 1 41 41 ALA H H 41 7.878 7.878 8.040 -0.162 19221 1235 1 2 . 1 1 42 42 LEU N N 42 115.790 115.790 118.972 -3.182 19221 1236 1 2 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.196 -0.620 19221 1237 1 2 . 1 1 42 42 LEU C C 42 179.683 179.683 178.514 1.169 19221 1238 1 2 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.510 1.221 19221 1239 1 2 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.156 0.054 19221 1240 1 2 . 1 1 42 42 LEU H H 42 7.737 7.737 7.991 -0.254 19221 1241 1 2 . 1 1 43 43 LEU N N 43 113.670 113.670 115.083 -1.413 19221 1242 1 2 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.029 -0.022 19221 1243 1 2 . 1 1 43 43 LEU C C 43 177.279 177.279 177.379 -0.100 19221 1244 1 2 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.576 0.354 19221 1245 1 2 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.425 -0.605 19221 1246 1 2 . 1 1 43 43 LEU H H 43 7.798 7.798 7.859 -0.061 19221 1247 1 2 . 1 1 44 44 GLY N N 44 108.270 108.270 106.975 1.295 19221 1248 1 2 . 1 1 44 44 GLY C C 44 177.020 177.020 174.013 3.007 19221 1249 1 2 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.734 2.156 19221 1250 1 2 . 1 1 44 44 GLY H H 44 7.984 7.984 7.483 0.501 19221 1251 1 2 . 1 1 45 45 ASP N N 45 128.400 128.400 122.656 5.744 19221 1252 1 2 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.468 0.091 19221 1253 1 2 . 1 1 45 45 ASP C C 45 177.183 177.183 176.538 0.645 19221 1254 1 2 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.386 -0.936 19221 1255 1 2 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.591 -1.801 19221 1256 1 2 . 1 1 45 45 ASP H H 45 9.073 9.073 9.051 0.022 19221 1257 1 2 . 1 1 46 46 LYS N N 46 117.230 117.230 113.022 4.208 19221 1258 1 2 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.482 0.463 19221 1259 1 2 . 1 1 46 46 LYS C C 46 176.544 176.544 175.778 0.766 19221 1260 1 2 . 1 1 46 46 LYS CA C 46 55.610 55.610 56.079 -0.469 19221 1261 1 2 . 1 1 46 46 LYS CB C 46 33.960 33.960 33.462 0.498 19221 1262 1 2 . 1 1 46 46 LYS H H 46 8.987 8.987 7.882 1.105 19221 1263 1 2 . 1 1 47 47 ILE N N 47 121.540 121.540 120.659 0.881 19221 1264 1 2 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.988 0.109 19221 1265 1 2 . 1 1 47 47 ILE C C 47 174.082 174.082 175.153 -1.071 19221 1266 1 2 . 1 1 47 47 ILE CA C 47 61.080 61.080 62.458 -1.377 19221 1267 1 2 . 1 1 47 47 ILE CB C 47 37.008 37.008 38.324 -1.316 19221 1268 1 2 . 1 1 47 47 ILE H H 47 6.840 6.840 7.916 -1.076 19221 1269 1 2 . 1 1 48 48 TYR N N 48 123.820 123.820 124.644 -0.824 19221 1270 1 2 . 1 1 48 48 TYR HA H 48 4.309 4.309 3.546 0.763 19221 1271 1 2 . 1 1 48 48 TYR C C 48 173.249 173.249 173.895 -0.646 19221 1272 1 2 . 1 1 48 48 TYR CA C 48 57.350 57.350 58.099 -0.749 19221 1273 1 2 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.730 -0.500 19221 1274 1 2 . 1 1 48 48 TYR H H 48 8.511 8.511 8.515 -0.004 19221 1275 1 2 . 1 1 49 49 ASN N N 49 116.100 116.100 120.064 -3.964 19221 1276 1 2 . 1 1 49 49 ASN HA H 49 4.451 4.451 3.875 0.576 19221 1277 1 2 . 1 1 49 49 ASN C C 49 175.429 175.429 174.775 0.654 19221 1278 1 2 . 1 1 49 49 ASN CA C 49 53.077 53.077 51.686 1.391 19221 1279 1 2 . 1 1 49 49 ASN CB C 49 39.916 39.916 35.598 4.318 19221 1280 1 2 . 1 1 49 49 ASN H H 49 6.906 6.906 7.832 -0.926 19221 1281 1 2 . 1 1 50 50 PHE N N 50 124.360 124.360 120.582 3.778 19221 1282 1 2 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.213 0.798 19221 1283 1 2 . 1 1 50 50 PHE C C 50 176.190 176.190 177.528 -1.338 19221 1284 1 2 . 1 1 50 50 PHE CA C 50 55.863 55.863 60.071 -4.208 19221 1285 1 2 . 1 1 50 50 PHE CB C 50 38.482 38.482 37.590 0.892 19221 1286 1 2 . 1 1 50 50 PHE H H 50 8.980 8.980 7.554 1.426 19221 1287 1 2 . 1 1 51 51 GLY N N 51 109.740 109.740 107.945 1.795 19221 1288 1 2 . 1 1 51 51 GLY C C 51 175.758 175.758 175.995 -0.237 19221 1289 1 2 . 1 1 51 51 GLY CA C 51 48.300 48.300 46.897 1.403 19221 1290 1 2 . 1 1 51 51 GLY H H 51 8.658 8.658 8.375 0.283 19221 1291 1 2 . 1 1 52 52 GLU N N 52 120.700 120.700 121.784 -1.084 19221 1292 1 2 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.099 -0.017 19221 1293 1 2 . 1 1 52 52 GLU C C 52 178.240 178.240 178.584 -0.344 19221 1294 1 2 . 1 1 52 52 GLU CA C 52 59.210 59.210 58.977 0.233 19221 1295 1 2 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.636 0.103 19221 1296 1 2 . 1 1 52 52 GLU H H 52 8.321 8.321 8.062 0.259 19221 1297 1 2 . 1 1 53 53 LEU N N 53 119.400 119.400 121.028 -1.628 19221 1298 1 2 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.132 0.026 19221 1299 1 2 . 1 1 53 53 LEU C C 53 178.344 178.344 179.197 -0.853 19221 1300 1 2 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.912 -0.122 19221 1301 1 2 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.023 0.817 19221 1302 1 2 . 1 1 53 53 LEU H H 53 7.694 7.694 7.624 0.070 19221 1303 1 2 . 1 1 54 54 LEU N N 54 114.230 114.230 116.561 -2.331 19221 1304 1 2 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.067 -0.144 19221 1305 1 2 . 1 1 54 54 LEU C C 54 178.643 178.643 178.413 0.230 19221 1306 1 2 . 1 1 54 54 LEU CA C 54 57.730 57.730 57.328 0.402 19221 1307 1 2 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.742 0.108 19221 1308 1 2 . 1 1 54 54 LEU H H 54 8.369 8.369 8.445 -0.076 19221 1309 1 2 . 1 1 55 55 HIS N N 55 113.420 113.420 115.293 -1.873 19221 1310 1 2 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.514 0.193 19221 1311 1 2 . 1 1 55 55 HIS C C 55 173.981 173.981 175.389 -1.408 19221 1312 1 2 . 1 1 55 55 HIS CA C 55 55.520 55.520 56.643 -1.123 19221 1313 1 2 . 1 1 55 55 HIS CB C 55 29.280 29.280 30.615 -1.335 19221 1314 1 2 . 1 1 55 55 HIS H H 55 7.569 7.569 7.585 -0.016 19221 1315 1 2 . 1 1 56 56 HIS N N 56 126.050 126.050 120.853 5.197 19221 1316 1 2 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.658 -0.177 19221 1317 1 2 . 1 1 56 56 HIS C C 56 176.705 176.705 174.771 1.934 19221 1318 1 2 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.770 2.580 19221 1319 1 2 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.082 0.638 19221 1320 1 2 . 1 1 56 56 HIS H H 56 8.068 8.068 7.852 0.216 19221 1321 1 2 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.150 0.227 19221 1322 1 2 . 1 1 57 57 PRO C C 57 179.790 179.790 178.441 1.349 19221 1323 1 2 . 1 1 57 57 PRO CA C 57 65.440 65.440 65.350 0.090 19221 1324 1 2 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.670 0.760 19221 1325 1 2 . 1 1 58 58 ILE N N 58 124.900 124.900 119.353 5.547 19221 1326 1 2 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.713 0.557 19221 1327 1 2 . 1 1 58 58 ILE C C 58 177.782 177.782 177.159 0.623 19221 1328 1 2 . 1 1 58 58 ILE CA C 58 62.530 62.530 64.046 -1.516 19221 1329 1 2 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.669 0.601 19221 1330 1 2 . 1 1 58 58 ILE H H 58 11.871 11.871 7.715 4.156 19221 1331 1 2 . 1 1 59 59 MET N N 59 120.230 120.230 116.281 3.949 19221 1332 1 2 . 1 1 59 59 MET HA H 59 4.431 4.431 4.269 0.162 19221 1333 1 2 . 1 1 59 59 MET C C 59 178.757 178.757 178.657 0.100 19221 1334 1 2 . 1 1 59 59 MET CA C 59 55.720 55.720 55.901 -0.181 19221 1335 1 2 . 1 1 59 59 MET CB C 59 30.980 30.980 30.941 0.039 19221 1336 1 2 . 1 1 59 59 MET H H 59 8.152 8.152 8.083 0.069 19221 1337 1 2 . 1 1 60 60 GLU N N 60 119.080 119.080 119.260 -0.180 19221 1338 1 2 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.876 0.132 19221 1339 1 2 . 1 1 60 60 GLU C C 60 178.242 178.242 178.189 0.053 19221 1340 1 2 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.579 -1.059 19221 1341 1 2 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.494 1.053 19221 1342 1 2 . 1 1 60 60 GLU H H 60 7.889 7.889 8.202 -0.313 19221 1343 1 2 . 1 1 61 61 THR N N 61 106.740 106.740 111.209 -4.469 19221 1344 1 2 . 1 1 61 61 THR HA H 61 4.120 4.120 4.061 0.059 19221 1345 1 2 . 1 1 61 61 THR C C 61 176.056 176.056 175.884 0.172 19221 1346 1 2 . 1 1 61 61 THR CA C 61 64.520 64.520 64.704 -0.184 19221 1347 1 2 . 1 1 61 61 THR CB C 61 69.420 69.420 68.858 0.562 19221 1348 1 2 . 1 1 61 61 THR H H 61 7.558 7.558 7.621 -0.063 19221 1349 1 2 . 1 1 62 62 ILE N N 62 113.140 113.140 113.810 -0.670 19221 1350 1 2 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.553 0.035 19221 1351 1 2 . 1 1 62 62 ILE C C 62 176.843 176.843 177.471 -0.628 19221 1352 1 2 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.511 0.279 19221 1353 1 2 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.505 0.865 19221 1354 1 2 . 1 1 62 62 ILE H H 62 7.235 7.235 7.559 -0.324 19221 1355 1 2 . 1 1 63 63 VAL N N 63 122.110 122.110 122.564 -0.454 19221 1356 1 2 . 1 1 63 63 VAL HA H 63 3.346 3.346 2.768 0.578 19221 1357 1 2 . 1 1 63 63 VAL C C 63 175.165 175.165 176.168 -1.003 19221 1358 1 2 . 1 1 63 63 VAL CA C 63 64.440 64.440 65.311 -0.871 19221 1359 1 2 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.524 -0.325 19221 1360 1 2 . 1 1 63 63 VAL H H 63 7.436 7.436 8.005 -0.569 19221 1361 1 2 . 1 1 64 64 ASN N N 64 116.810 116.810 112.244 4.566 19221 1362 1 2 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.697 0.084 19221 1363 1 2 . 1 1 64 64 ASN C C 64 174.101 174.101 173.829 0.272 19221 1364 1 2 . 1 1 64 64 ASN CA C 64 52.900 52.900 52.370 0.530 19221 1365 1 2 . 1 1 64 64 ASN CB C 64 38.779 38.779 39.815 -1.036 19221 1366 1 2 . 1 1 64 64 ASN H H 64 8.352 8.352 7.633 0.719 19221 1367 1 2 . 1 1 65 65 ASP N N 65 120.930 120.930 119.546 1.384 19221 1368 1 2 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.888 -0.008 19221 1369 1 2 . 1 1 65 65 ASP C C 65 177.534 177.534 176.697 0.837 19221 1370 1 2 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.925 0.245 19221 1371 1 2 . 1 1 65 65 ASP CB C 65 43.100 43.100 43.559 -0.459 19221 1372 1 2 . 1 1 65 65 ASP H H 65 7.453 7.453 7.483 -0.030 19221 1373 1 2 . 1 1 66 66 SER HA H 66 4.356 4.356 4.249 0.107 19221 1374 1 2 . 1 1 66 66 SER C C 66 176.310 176.310 175.391 0.919 19221 1375 1 2 . 1 1 66 66 SER CA C 66 61.350 61.350 60.450 0.899 19221 1376 1 2 . 1 1 66 66 SER CB C 66 63.120 63.120 63.193 -0.073 19221 1377 1 2 . 1 1 66 66 SER H H 66 7.010 7.010 8.842 -1.832 19221 1378 1 2 . 1 1 67 67 ASN N N 67 120.050 120.050 117.760 2.290 19221 1379 1 2 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.471 0.134 19221 1380 1 2 . 1 1 67 67 ASN C C 67 176.107 176.107 175.899 0.208 19221 1381 1 2 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.936 -0.366 19221 1382 1 2 . 1 1 67 67 ASN CB C 67 38.600 38.600 39.199 -0.599 19221 1383 1 2 . 1 1 67 67 ASN H H 67 9.014 9.014 8.271 0.743 19221 1384 1 2 . 1 1 68 68 TYR N N 68 114.840 114.840 115.558 -0.718 19221 1385 1 2 . 1 1 68 68 TYR HA H 68 4.519 4.519 3.908 0.611 19221 1386 1 2 . 1 1 68 68 TYR C C 68 175.709 175.709 175.327 0.382 19221 1387 1 2 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.669 0.941 19221 1388 1 2 . 1 1 68 68 TYR CB C 68 39.750 39.750 39.393 0.357 19221 1389 1 2 . 1 1 68 68 TYR H H 68 8.276 8.276 8.067 0.209 19221 1390 1 2 . 1 1 69 69 ASP N N 69 122.810 122.810 122.409 0.401 19221 1391 1 2 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.388 0.064 19221 1392 1 2 . 1 1 69 69 ASP C C 69 178.371 178.371 177.672 0.699 19221 1393 1 2 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.275 0.355 19221 1394 1 2 . 1 1 69 69 ASP CB C 69 40.630 40.630 41.305 -0.675 19221 1395 1 2 . 1 1 69 69 ASP H H 69 7.806 7.806 8.429 -0.623 19221 1396 1 2 . 1 1 70 70 TRP N N 70 117.270 117.270 117.057 0.213 19221 1397 1 2 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.533 -0.369 19221 1398 1 2 . 1 1 70 70 TRP C C 70 176.090 176.090 177.690 -1.600 19221 1399 1 2 . 1 1 70 70 TRP CA C 70 58.530 58.530 58.822 -0.292 19221 1400 1 2 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.458 -0.908 19221 1401 1 2 . 1 1 70 70 TRP H H 70 8.172 8.172 7.662 0.510 19221 1402 1 2 . 1 1 71 71 LEU N N 71 125.263 125.263 122.730 2.533 19221 1403 1 2 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.961 -0.721 19221 1404 1 2 . 1 1 71 71 LEU C C 71 178.306 178.306 178.212 0.094 19221 1405 1 2 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.402 0.208 19221 1406 1 2 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.789 0.400 19221 1407 1 2 . 1 1 71 71 LEU H H 71 6.251 6.251 6.609 -0.358 19221 1408 1 2 . 1 1 72 72 PHE N N 72 117.630 117.630 119.916 -2.286 19221 1409 1 2 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.968 -0.155 19221 1410 1 2 . 1 1 72 72 PHE C C 72 178.797 178.797 177.029 1.768 19221 1411 1 2 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.813 0.758 19221 1412 1 2 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.797 0.013 19221 1413 1 2 . 1 1 72 72 PHE H H 72 6.996 6.996 8.405 -1.409 19221 1414 1 2 . 1 1 73 73 GLN N N 73 117.950 117.950 118.369 -0.419 19221 1415 1 2 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.663 0.403 19221 1416 1 2 . 1 1 73 73 GLN C C 73 179.341 179.341 178.304 1.037 19221 1417 1 2 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.856 0.234 19221 1418 1 2 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.649 -0.400 19221 1419 1 2 . 1 1 73 73 GLN H H 73 8.415 8.415 8.297 0.118 19221 1420 1 2 . 1 1 74 74 LEU N N 74 122.275 122.275 122.419 -0.144 19221 1421 1 2 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.030 0.040 19221 1422 1 2 . 1 1 74 74 LEU C C 74 177.889 177.889 178.336 -0.447 19221 1423 1 2 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.782 0.788 19221 1424 1 2 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.773 0.407 19221 1425 1 2 . 1 1 74 74 LEU H H 74 8.365 8.365 8.104 0.261 19221 1426 1 2 . 1 1 75 75 LEU N N 75 118.123 118.123 119.573 -1.450 19221 1427 1 2 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.647 0.080 19221 1428 1 2 . 1 1 75 75 LEU C C 75 180.172 180.172 179.134 1.038 19221 1429 1 2 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.576 -0.123 19221 1430 1 2 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.044 1.296 19221 1431 1 2 . 1 1 75 75 LEU H H 75 8.210 8.210 8.750 -0.540 19221 1432 1 2 . 1 1 76 76 ASN N N 76 117.960 117.960 117.861 0.099 19221 1433 1 2 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.214 0.161 19221 1434 1 2 . 1 1 76 76 ASN C C 76 176.582 176.582 177.285 -0.703 19221 1435 1 2 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.173 0.787 19221 1436 1 2 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.846 1.104 19221 1437 1 2 . 1 1 76 76 ASN H H 76 8.363 8.363 8.287 0.076 19221 1438 1 2 . 1 1 77 77 ALA N N 77 121.740 121.740 121.898 -0.158 19221 1439 1 2 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.052 0.115 19221 1440 1 2 . 1 1 77 77 ALA C C 77 179.988 179.988 180.031 -0.043 19221 1441 1 2 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.757 0.803 19221 1442 1 2 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.381 -1.051 19221 1443 1 2 . 1 1 77 77 ALA H H 77 8.385 8.385 8.135 0.250 19221 1444 1 2 . 1 1 78 78 LEU N N 78 116.550 116.550 118.276 -1.726 19221 1445 1 2 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.736 -0.083 19221 1446 1 2 . 1 1 78 78 LEU C C 78 177.576 177.576 179.164 -1.588 19221 1447 1 2 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.819 1.165 19221 1448 1 2 . 1 1 78 78 LEU CB C 78 42.010 42.010 42.146 -0.136 19221 1449 1 2 . 1 1 78 78 LEU H H 78 7.965 7.965 8.251 -0.286 19221 1450 1 2 . 1 1 79 79 THR N N 79 113.220 113.220 112.147 1.073 19221 1451 1 2 . 1 1 79 79 THR HA H 79 3.807 3.807 4.162 -0.355 19221 1452 1 2 . 1 1 79 79 THR C C 79 176.163 176.163 175.078 1.085 19221 1453 1 2 . 1 1 79 79 THR CA C 79 66.980 66.980 65.658 1.322 19221 1454 1 2 . 1 1 79 79 THR CB C 79 69.240 69.240 69.174 0.066 19221 1455 1 2 . 1 1 79 79 THR H H 79 7.565 7.565 7.976 -0.411 19221 1456 1 2 . 1 1 80 80 VAL N N 80 110.800 110.800 111.872 -1.072 19221 1457 1 2 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.607 -0.098 19221 1458 1 2 . 1 1 80 80 VAL C C 80 176.751 176.751 176.018 0.733 19221 1459 1 2 . 1 1 80 80 VAL CA C 80 60.890 60.890 61.324 -0.434 19221 1460 1 2 . 1 1 80 80 VAL CB C 80 32.005 32.005 33.457 -1.452 19221 1461 1 2 . 1 1 80 80 VAL H H 80 7.792 7.792 7.128 0.664 19221 1462 1 2 . 1 1 81 81 GLY N N 81 112.910 112.910 110.427 2.483 19221 1463 1 2 . 1 1 81 81 GLY C C 81 173.874 173.874 174.123 -0.249 19221 1464 1 2 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.658 1.621 19221 1465 1 2 . 1 1 81 81 GLY H H 81 7.506 7.506 7.780 -0.274 19221 1466 1 2 . 1 1 82 82 ASP N N 82 119.112 119.112 120.167 -1.055 19221 1467 1 2 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.810 0.030 19221 1468 1 2 . 1 1 82 82 ASP C C 82 175.706 175.706 175.961 -0.255 19221 1469 1 2 . 1 1 82 82 ASP CA C 82 51.920 51.920 52.087 -0.167 19221 1470 1 2 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.451 0.499 19221 1471 1 2 . 1 1 82 82 ASP H H 82 8.254 8.254 7.873 0.381 19221 1472 1 2 . 1 1 83 83 PHE N N 83 123.870 123.870 123.854 0.016 19221 1473 1 2 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.095 -0.267 19221 1474 1 2 . 1 1 83 83 PHE C C 83 177.950 177.950 177.535 0.415 19221 1475 1 2 . 1 1 83 83 PHE CA C 83 62.570 62.570 62.213 0.357 19221 1476 1 2 . 1 1 83 83 PHE CB C 83 39.120 39.120 39.060 0.060 19221 1477 1 2 . 1 1 83 83 PHE H H 83 8.025 8.025 8.092 -0.067 19221 1478 1 2 . 1 1 84 84 ASP N N 84 119.583 119.583 119.449 0.134 19221 1479 1 2 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.504 0.018 19221 1480 1 2 . 1 1 84 84 ASP C C 84 179.005 179.005 178.702 0.303 19221 1481 1 2 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.697 -0.037 19221 1482 1 2 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.902 -0.342 19221 1483 1 2 . 1 1 84 84 ASP H H 84 8.464 8.464 8.281 0.183 19221 1484 1 2 . 1 1 85 85 LYS N N 85 122.200 122.200 120.044 2.156 19221 1485 1 2 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.080 0.012 19221 1486 1 2 . 1 1 85 85 LYS C C 85 178.580 178.580 178.937 -0.357 19221 1487 1 2 . 1 1 85 85 LYS CA C 85 58.250 58.250 59.087 -0.836 19221 1488 1 2 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.251 0.059 19221 1489 1 2 . 1 1 85 85 LYS H H 85 8.009 8.009 8.422 -0.413 19221 1490 1 2 . 1 1 86 86 PHE N N 86 118.590 118.590 121.067 -2.477 19221 1491 1 2 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.009 -0.173 19221 1492 1 2 . 1 1 86 86 PHE C C 86 175.649 175.649 176.719 -1.070 19221 1493 1 2 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.748 0.662 19221 1494 1 2 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.738 1.342 19221 1495 1 2 . 1 1 86 86 PHE H H 86 8.331 8.331 8.838 -0.507 19221 1496 1 2 . 1 1 87 87 ASP N N 87 117.790 117.790 119.095 -1.305 19221 1497 1 2 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.077 0.121 19221 1498 1 2 . 1 1 87 87 ASP C C 87 178.542 178.542 178.534 0.008 19221 1499 1 2 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.706 0.134 19221 1500 1 2 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.617 1.273 19221 1501 1 2 . 1 1 87 87 ASP H H 87 8.560 8.560 8.760 -0.200 19221 1502 1 2 . 1 1 88 88 SER N N 88 112.940 112.940 115.867 -2.927 19221 1503 1 2 . 1 1 88 88 SER HA H 88 4.153 4.153 4.209 -0.056 19221 1504 1 2 . 1 1 88 88 SER C C 88 176.823 176.823 175.931 0.892 19221 1505 1 2 . 1 1 88 88 SER CA C 88 61.590 61.590 62.054 -0.464 19221 1506 1 2 . 1 1 88 88 SER CB C 88 63.085 63.085 63.352 -0.267 19221 1507 1 2 . 1 1 88 88 SER H H 88 7.757 7.757 7.921 -0.164 19221 1508 1 2 . 1 1 89 89 LEU N N 89 121.710 121.710 119.900 1.810 19221 1509 1 2 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.147 0.021 19221 1510 1 2 . 1 1 89 89 LEU C C 89 180.006 180.006 178.286 1.720 19221 1511 1 2 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.507 0.323 19221 1512 1 2 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.165 1.215 19221 1513 1 2 . 1 1 89 89 LEU H H 89 8.173 8.173 7.548 0.625 19221 1514 1 2 . 1 1 90 90 ILE N N 90 119.830 119.830 120.729 -0.899 19221 1515 1 2 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.427 0.118 19221 1516 1 2 . 1 1 90 90 ILE C C 90 177.083 177.083 178.481 -1.398 19221 1517 1 2 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.429 -1.519 19221 1518 1 2 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.442 -0.362 19221 1519 1 2 . 1 1 90 90 ILE H H 90 8.424 8.424 8.380 0.044 19221 1520 1 2 . 1 1 91 91 LYS N N 91 117.980 117.980 117.483 0.497 19221 1521 1 2 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.958 -0.057 19221 1522 1 2 . 1 1 91 91 LYS C C 91 178.803 178.803 177.948 0.855 19221 1523 1 2 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.050 0.460 19221 1524 1 2 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.254 0.506 19221 1525 1 2 . 1 1 91 91 LYS H H 91 7.569 7.569 8.124 -0.555 19221 1526 1 2 . 1 1 92 92 VAL N N 92 115.450 115.450 118.144 -2.694 19221 1527 1 2 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.003 -0.075 19221 1528 1 2 . 1 1 92 92 VAL C C 92 177.767 177.767 177.639 0.128 19221 1529 1 2 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.936 -0.386 19221 1530 1 2 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.641 0.149 19221 1531 1 2 . 1 1 92 92 VAL H H 92 7.432 7.432 7.659 -0.227 19221 1532 1 2 . 1 1 93 93 GLN N N 93 117.250 117.250 119.365 -2.115 19221 1533 1 2 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.952 0.045 19221 1534 1 2 . 1 1 93 93 GLN C C 93 178.756 178.756 178.917 -0.161 19221 1535 1 2 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.959 -0.398 19221 1536 1 2 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.421 0.249 19221 1537 1 2 . 1 1 93 93 GLN H H 93 8.127 8.127 8.605 -0.478 19221 1538 1 2 . 1 1 94 94 ILE N N 94 118.013 118.013 119.843 -1.830 19221 1539 1 2 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.718 -0.078 19221 1540 1 2 . 1 1 94 94 ILE C C 94 176.252 176.252 178.783 -2.531 19221 1541 1 2 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.723 1.257 19221 1542 1 2 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.834 0.297 19221 1543 1 2 . 1 1 94 94 ILE H H 94 8.390 8.390 7.492 0.898 19221 1544 1 2 . 1 1 95 95 SER N N 95 112.220 112.220 116.300 -4.080 19221 1545 1 2 . 1 1 95 95 SER HA H 95 4.158 4.158 4.136 0.022 19221 1546 1 2 . 1 1 95 95 SER C C 95 174.893 174.893 175.851 -0.958 19221 1547 1 2 . 1 1 95 95 SER CA C 95 59.890 59.890 61.050 -1.160 19221 1548 1 2 . 1 1 95 95 SER CB C 95 63.170 63.170 62.958 0.212 19221 1549 1 2 . 1 1 95 95 SER H H 95 7.227 7.227 8.203 -0.976 19221 1550 1 2 . 1 1 96 96 LYS N N 96 119.000 119.000 118.431 0.569 19221 1551 1 2 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.158 0.167 19221 1552 1 2 . 1 1 96 96 LYS C C 96 175.903 175.903 176.071 -0.168 19221 1553 1 2 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.100 -0.500 19221 1554 1 2 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.119 0.821 19221 1555 1 2 . 1 1 96 96 LYS H H 96 7.250 7.250 7.611 -0.361 19221 1556 1 2 . 1 1 97 97 ILE N N 97 120.530 120.530 120.709 -0.179 19221 1557 1 2 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.556 0.043 19221 1558 1 2 . 1 1 97 97 ILE C C 97 173.784 173.784 174.171 -0.387 19221 1559 1 2 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.831 -0.419 19221 1560 1 2 . 1 1 97 97 ILE CB C 97 37.560 37.560 39.971 -2.411 19221 1561 1 2 . 1 1 97 97 ILE H H 97 7.713 7.713 7.356 0.357 19221 1562 1 2 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.296 -0.003 19221 1563 1 2 . 1 1 98 98 PRO C C 98 178.885 178.885 178.297 0.588 19221 1564 1 2 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.860 0.460 19221 1565 1 2 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.037 0.233 19221 1566 1 2 . 1 1 99 99 ILE N N 99 115.600 115.600 118.581 -2.981 19221 1567 1 2 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.848 0.444 19221 1568 1 2 . 1 1 99 99 ILE C C 99 177.025 177.025 177.653 -0.628 19221 1569 1 2 . 1 1 99 99 ILE CA C 99 63.780 63.780 63.579 0.201 19221 1570 1 2 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.704 0.376 19221 1571 1 2 . 1 1 99 99 ILE H H 99 8.552 8.552 8.080 0.472 19221 1572 1 2 . 1 1 100 100 LEU N N 100 119.430 119.430 120.684 -1.254 19221 1573 1 2 . 1 1 100 100 LEU HA H 100 4.223 4.223 3.831 0.392 19221 1574 1 2 . 1 1 100 100 LEU C C 100 178.223 178.223 178.972 -0.749 19221 1575 1 2 . 1 1 100 100 LEU CA C 100 57.110 57.110 58.093 -0.983 19221 1576 1 2 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.141 1.079 19221 1577 1 2 . 1 1 100 100 LEU H H 100 7.404 7.404 7.565 -0.161 19221 1578 1 2 . 1 1 101 101 ALA N N 101 121.390 121.390 121.033 0.357 19221 1579 1 2 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.921 -0.004 19221 1580 1 2 . 1 1 101 101 ALA C C 101 181.827 181.827 180.188 1.639 19221 1581 1 2 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.892 0.517 19221 1582 1 2 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.134 -0.184 19221 1583 1 2 . 1 1 101 101 ALA H H 101 7.839 7.839 8.124 -0.285 19221 1584 1 2 . 1 1 102 102 GLN N N 102 115.470 115.470 116.271 -0.801 19221 1585 1 2 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.214 -0.137 19221 1586 1 2 . 1 1 102 102 GLN C C 102 176.572 176.572 177.022 -0.450 19221 1587 1 2 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.840 -0.260 19221 1588 1 2 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.352 -0.722 19221 1589 1 2 . 1 1 102 102 GLN H H 102 8.276 8.276 7.770 0.506 19221 1590 1 2 . 1 1 103 103 HIS N N 103 115.980 115.980 112.888 3.092 19221 1591 1 2 . 1 1 103 103 HIS HA H 103 5.124 5.124 5.084 0.040 19221 1592 1 2 . 1 1 103 103 HIS C C 103 175.326 175.326 174.387 0.939 19221 1593 1 2 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.315 2.035 19221 1594 1 2 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.797 1.192 19221 1595 1 2 . 1 1 103 103 HIS H H 103 7.450 7.450 7.790 -0.340 19221 1596 1 2 . 1 1 104 104 GLU N N 104 122.920 122.920 122.563 0.357 19221 1597 1 2 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.891 -0.078 19221 1598 1 2 . 1 1 104 104 GLU C C 104 177.960 177.960 177.514 0.446 19221 1599 1 2 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.547 0.963 19221 1600 1 2 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.277 0.223 19221 1601 1 2 . 1 1 104 104 GLU H H 104 7.332 7.332 7.796 -0.464 19221 1602 1 2 . 1 1 105 105 SER N N 105 113.180 113.180 115.087 -1.907 19221 1603 1 2 . 1 1 105 105 SER HA H 105 4.234 4.234 4.285 -0.051 19221 1604 1 2 . 1 1 105 105 SER C C 105 177.512 177.512 176.775 0.737 19221 1605 1 2 . 1 1 105 105 SER CA C 105 62.100 62.100 61.073 1.027 19221 1606 1 2 . 1 1 105 105 SER CB C 105 62.100 62.100 62.879 -0.779 19221 1607 1 2 . 1 1 105 105 SER H H 105 8.931 8.931 8.625 0.306 19221 1608 1 2 . 1 1 106 106 PHE N N 106 123.770 123.770 123.943 -0.173 19221 1609 1 2 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.397 0.030 19221 1610 1 2 . 1 1 106 106 PHE C C 106 178.007 178.007 176.823 1.184 19221 1611 1 2 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.376 0.014 19221 1612 1 2 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.308 -0.178 19221 1613 1 2 . 1 1 106 106 PHE H H 106 8.040 8.040 7.534 0.506 19221 1614 1 2 . 1 1 107 107 LEU N N 107 121.397 121.397 120.086 1.311 19221 1615 1 2 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.876 0.130 19221 1616 1 2 . 1 1 107 107 LEU C C 107 178.165 178.165 178.969 -0.804 19221 1617 1 2 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.352 -0.072 19221 1618 1 2 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.441 0.728 19221 1619 1 2 . 1 1 107 107 LEU H H 107 8.481 8.481 8.292 0.189 19221 1620 1 2 . 1 1 108 108 ARG N N 108 117.450 117.450 118.481 -1.031 19221 1621 1 2 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.137 0.002 19221 1622 1 2 . 1 1 108 108 ARG C C 108 178.343 178.343 178.728 -0.385 19221 1623 1 2 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.606 -0.026 19221 1624 1 2 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.857 -0.687 19221 1625 1 2 . 1 1 108 108 ARG H H 108 8.480 8.480 8.646 -0.166 19221 1626 1 2 . 1 1 109 109 GLN N N 109 119.098 119.098 119.510 -0.412 19221 1627 1 2 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.026 0.049 19221 1628 1 2 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.114 0.181 19221 1629 1 2 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.595 0.913 19221 1630 1 2 . 1 1 109 109 GLN H H 109 7.886 7.886 8.041 -0.155 19221 1631 1 2 . 1 1 110 110 LYS N N 110 121.110 121.110 120.172 0.938 19221 1632 1 2 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.929 0.059 19221 1633 1 2 . 1 1 110 110 LYS C C 110 178.368 178.368 178.958 -0.590 19221 1634 1 2 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.265 3.285 19221 1635 1 2 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.909 -1.649 19221 1636 1 2 . 1 1 110 110 LYS H H 110 8.356 8.356 7.860 0.496 19221 1637 1 2 . 1 1 111 111 ILE N N 111 116.870 116.870 121.517 -4.647 19221 1638 1 2 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.632 0.266 19221 1639 1 2 . 1 1 111 111 ILE C C 111 178.036 178.036 177.364 0.672 19221 1640 1 2 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.473 0.628 19221 1641 1 2 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.382 -0.467 19221 1642 1 2 . 1 1 111 111 ILE H H 111 7.848 7.848 8.291 -0.443 19221 1643 1 2 . 1 1 112 112 CYS N N 112 123.990 123.990 118.770 5.220 19221 1644 1 2 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.303 -0.222 19221 1645 1 2 . 1 1 112 112 CYS C C 112 176.276 176.276 177.308 -1.032 19221 1646 1 2 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.622 1.778 19221 1647 1 2 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.808 -0.438 19221 1648 1 2 . 1 1 112 112 CYS H H 112 7.473 7.473 7.260 0.213 19221 1649 1 2 . 1 1 113 113 LEU N N 113 120.218 120.218 120.969 -0.751 19221 1650 1 2 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.744 0.099 19221 1651 1 2 . 1 1 113 113 LEU C C 113 178.584 178.584 178.824 -0.240 19221 1652 1 2 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.239 0.281 19221 1653 1 2 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.697 0.853 19221 1654 1 2 . 1 1 113 113 LEU H H 113 8.443 8.443 8.504 -0.061 19221 1655 1 2 . 1 1 114 114 MET N N 114 116.910 116.910 118.390 -1.480 19221 1656 1 2 . 1 1 114 114 MET HA H 114 3.952 3.952 3.917 0.035 19221 1657 1 2 . 1 1 114 114 MET C C 114 178.724 178.724 178.029 0.695 19221 1658 1 2 . 1 1 114 114 MET CA C 114 60.070 60.070 59.408 0.662 19221 1659 1 2 . 1 1 114 114 MET CB C 114 32.910 32.910 32.479 0.431 19221 1660 1 2 . 1 1 114 114 MET H H 114 8.840 8.840 8.633 0.207 19221 1661 1 2 . 1 1 115 115 THR N N 115 115.670 115.670 117.399 -1.729 19221 1662 1 2 . 1 1 115 115 THR HA H 115 4.083 4.083 3.985 0.098 19221 1663 1 2 . 1 1 115 115 THR C C 115 177.434 177.434 176.518 0.916 19221 1664 1 2 . 1 1 115 115 THR CA C 115 66.740 66.740 67.407 -0.668 19221 1665 1 2 . 1 1 115 115 THR CB C 115 68.630 68.630 68.458 0.172 19221 1666 1 2 . 1 1 115 115 THR H H 115 8.095 8.095 8.109 -0.014 19221 1667 1 2 . 1 1 116 116 LEU N N 116 125.420 125.420 123.537 1.883 19221 1668 1 2 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.062 -0.207 19221 1669 1 2 . 1 1 116 116 LEU C C 116 176.903 176.903 177.935 -1.032 19221 1670 1 2 . 1 1 116 116 LEU CA C 116 58.936 58.936 57.980 0.956 19221 1671 1 2 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.202 0.474 19221 1672 1 2 . 1 1 116 116 LEU H H 116 8.164 8.164 8.092 0.072 19221 1673 1 2 . 1 1 117 117 ILE N N 117 114.740 114.740 119.811 -5.071 19221 1674 1 2 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.400 0.219 19221 1675 1 2 . 1 1 117 117 ILE C C 117 177.806 177.806 177.833 -0.027 19221 1676 1 2 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.815 -1.225 19221 1677 1 2 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.334 -0.974 19221 1678 1 2 . 1 1 117 117 ILE H H 117 8.032 8.032 8.398 -0.366 19221 1679 1 2 . 1 1 118 118 GLU N N 118 121.200 121.200 119.705 1.495 19221 1680 1 2 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.007 0.193 19221 1681 1 2 . 1 1 118 118 GLU C C 118 178.314 178.314 178.939 -0.625 19221 1682 1 2 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.872 0.108 19221 1683 1 2 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.288 0.092 19221 1684 1 2 . 1 1 118 118 GLU H H 118 8.176 8.176 8.530 -0.354 19221 1685 1 2 . 1 1 119 119 THR N N 119 114.460 114.460 116.947 -2.487 19221 1686 1 2 . 1 1 119 119 THR HA H 119 3.917 3.917 4.017 -0.100 19221 1687 1 2 . 1 1 119 119 THR C C 119 175.551 175.551 177.071 -1.520 19221 1688 1 2 . 1 1 119 119 THR CA C 119 67.470 67.470 67.175 0.295 19221 1689 1 2 . 1 1 119 119 THR CB C 119 69.110 69.110 68.636 0.474 19221 1690 1 2 . 1 1 119 119 THR H H 119 8.008 8.008 8.131 -0.123 19221 1691 1 2 . 1 1 120 120 VAL N N 120 118.050 118.050 121.428 -3.378 19221 1692 1 2 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.612 0.008 19221 1693 1 2 . 1 1 120 120 VAL C C 120 178.213 178.213 177.904 0.309 19221 1694 1 2 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.615 -0.596 19221 1695 1 2 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.503 0.327 19221 1696 1 2 . 1 1 120 120 VAL H H 120 7.800 7.800 8.113 -0.313 19221 1697 1 2 . 1 1 121 121 PHE N N 121 118.360 118.360 121.263 -2.903 19221 1698 1 2 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.167 0.053 19221 1699 1 2 . 1 1 121 121 PHE C C 121 178.739 178.739 177.970 0.769 19221 1700 1 2 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.669 -0.129 19221 1701 1 2 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.204 0.926 19221 1702 1 2 . 1 1 121 121 PHE H H 121 8.370 8.370 8.536 -0.166 19221 1703 1 2 . 1 1 122 122 VAL N N 122 118.710 118.710 119.818 -1.108 19221 1704 1 2 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.508 0.117 19221 1705 1 2 . 1 1 122 122 VAL C C 122 178.247 178.247 177.313 0.934 19221 1706 1 2 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.622 0.228 19221 1707 1 2 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.968 -0.087 19221 1708 1 2 . 1 1 122 122 VAL H H 122 8.959 8.959 8.556 0.403 19221 1709 1 2 . 1 1 123 123 LYS N N 123 115.960 115.960 116.257 -0.297 19221 1710 1 2 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.256 0.060 19221 1711 1 2 . 1 1 123 123 LYS C C 123 176.148 176.148 175.606 0.542 19221 1712 1 2 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.737 0.793 19221 1713 1 2 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.107 -0.077 19221 1714 1 2 . 1 1 123 123 LYS H H 123 7.688 7.688 7.782 -0.094 19221 1715 1 2 . 1 1 124 124 ASN N N 124 117.440 117.440 117.122 0.318 19221 1716 1 2 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.305 0.039 19221 1717 1 2 . 1 1 124 124 ASN C C 124 174.205 174.205 174.840 -0.635 19221 1718 1 2 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.771 0.149 19221 1719 1 2 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.165 -0.095 19221 1720 1 2 . 1 1 124 124 ASN H H 124 7.560 7.560 7.518 0.042 19221 1721 1 2 . 1 1 125 125 ILE N N 125 116.780 116.780 117.373 -0.593 19221 1722 1 2 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.146 -0.036 19221 1723 1 2 . 1 1 125 125 ILE C C 125 175.909 175.909 175.313 0.596 19221 1724 1 2 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.038 0.532 19221 1725 1 2 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.574 1.396 19221 1726 1 2 . 1 1 125 125 ILE H H 125 7.658 7.658 8.165 -0.507 19221 1727 1 2 . 1 1 126 126 ARG N N 126 122.400 122.400 119.791 2.609 19221 1728 1 2 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.588 0.043 19221 1729 1 2 . 1 1 126 126 ARG C C 126 175.296 175.296 175.289 0.007 19221 1730 1 2 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.772 -0.562 19221 1731 1 2 . 1 1 126 126 ARG CB C 126 31.217 31.217 32.248 -1.031 19221 1732 1 2 . 1 1 126 126 ARG H H 126 8.658 8.658 8.525 0.133 19221 1733 1 2 . 1 1 127 127 MET N N 127 119.870 119.870 118.252 1.618 19221 1734 1 2 . 1 1 127 127 MET HA H 127 5.412 5.412 5.117 0.295 19221 1735 1 2 . 1 1 127 127 MET C C 127 174.169 174.169 173.879 0.290 19221 1736 1 2 . 1 1 127 127 MET CA C 127 55.130 55.130 54.586 0.544 19221 1737 1 2 . 1 1 127 127 MET CB C 127 35.300 35.300 35.400 -0.100 19221 1738 1 2 . 1 1 127 127 MET H H 127 7.487 7.487 7.615 -0.128 19221 1739 1 2 . 1 1 128 128 LEU N N 128 124.940 124.940 123.886 1.054 19221 1740 1 2 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.964 -0.074 19221 1741 1 2 . 1 1 128 128 LEU C C 128 174.857 174.857 174.289 0.568 19221 1742 1 2 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.898 0.272 19221 1743 1 2 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.324 -1.234 19221 1744 1 2 . 1 1 128 128 LEU H H 128 8.961 8.961 9.109 -0.148 19221 1745 1 2 . 1 1 129 129 SER N N 129 119.080 119.080 114.929 4.151 19221 1746 1 2 . 1 1 129 129 SER HA H 129 5.503 5.503 5.255 0.248 19221 1747 1 2 . 1 1 129 129 SER C C 129 176.225 176.225 175.378 0.847 19221 1748 1 2 . 1 1 129 129 SER CA C 129 56.630 56.630 57.084 -0.454 19221 1749 1 2 . 1 1 129 129 SER CB C 129 66.030 66.030 65.265 0.765 19221 1750 1 2 . 1 1 129 129 SER H H 129 9.512 9.512 8.178 1.334 19221 1751 1 2 . 1 1 130 130 PHE N N 130 120.530 120.530 123.274 -2.744 19221 1752 1 2 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.090 0.350 19221 1753 1 2 . 1 1 130 130 PHE C C 130 179.046 179.046 177.418 1.628 19221 1754 1 2 . 1 1 130 130 PHE CA C 130 58.730 58.730 60.629 -1.899 19221 1755 1 2 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.104 -1.584 19221 1756 1 2 . 1 1 130 130 PHE H H 130 8.712 8.712 9.465 -0.753 19221 1757 1 2 . 1 1 131 131 GLU N N 131 121.180 121.180 118.203 2.977 19221 1758 1 2 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.887 0.138 19221 1759 1 2 . 1 1 131 131 GLU C C 131 178.039 178.039 178.247 -0.208 19221 1760 1 2 . 1 1 131 131 GLU CA C 131 59.870 59.870 59.797 0.073 19221 1761 1 2 . 1 1 131 131 GLU CB C 131 29.470 29.470 28.741 0.729 19221 1762 1 2 . 1 1 131 131 GLU H H 131 8.961 8.961 8.831 0.130 19221 1763 1 2 . 1 1 132 132 ASP N N 132 120.930 120.930 120.524 0.406 19221 1764 1 2 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.503 -0.106 19221 1765 1 2 . 1 1 132 132 ASP C C 132 180.369 180.369 178.688 1.681 19221 1766 1 2 . 1 1 132 132 ASP CA C 132 57.690 57.690 56.675 1.015 19221 1767 1 2 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.884 -0.144 19221 1768 1 2 . 1 1 132 132 ASP H H 132 8.369 8.369 7.700 0.669 19221 1769 1 2 . 1 1 133 133 ILE N N 133 120.360 120.360 120.585 -0.225 19221 1770 1 2 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.508 0.001 19221 1771 1 2 . 1 1 133 133 ILE C C 133 178.895 178.895 178.067 0.828 19221 1772 1 2 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.761 0.519 19221 1773 1 2 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.795 -0.265 19221 1774 1 2 . 1 1 133 133 ILE H H 133 8.062 8.062 8.236 -0.174 19221 1775 1 2 . 1 1 134 134 SER N N 134 120.050 120.050 117.275 2.775 19221 1776 1 2 . 1 1 134 134 SER HA H 134 4.074 4.074 4.182 -0.108 19221 1777 1 2 . 1 1 134 134 SER C C 134 176.934 176.934 176.542 0.392 19221 1778 1 2 . 1 1 134 134 SER CA C 134 61.240 61.240 62.112 -0.872 19221 1779 1 2 . 1 1 134 134 SER CB C 134 63.400 63.400 62.962 0.438 19221 1780 1 2 . 1 1 134 134 SER H H 134 8.823 8.823 8.545 0.278 19221 1781 1 2 . 1 1 135 135 LYS N N 135 119.060 119.060 121.285 -2.225 19221 1782 1 2 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.944 -0.014 19221 1783 1 2 . 1 1 135 135 LYS C C 135 178.986 178.986 178.164 0.822 19221 1784 1 2 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.976 0.294 19221 1785 1 2 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.281 0.189 19221 1786 1 2 . 1 1 135 135 LYS H H 135 8.258 8.258 8.068 0.190 19221 1787 1 2 . 1 1 136 136 ALA N N 136 118.350 118.350 119.480 -1.130 19221 1788 1 2 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.069 0.133 19221 1789 1 2 . 1 1 136 136 ALA C C 136 178.653 178.653 177.266 1.387 19221 1790 1 2 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.174 0.306 19221 1791 1 2 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.465 -0.625 19221 1792 1 2 . 1 1 136 136 ALA H H 136 7.538 7.538 7.800 -0.262 19221 1793 1 2 . 1 1 137 137 THR N N 137 101.770 101.770 106.224 -4.454 19221 1794 1 2 . 1 1 137 137 THR HA H 137 4.274 4.274 4.454 -0.180 19221 1795 1 2 . 1 1 137 137 THR C C 137 172.932 172.932 174.426 -1.494 19221 1796 1 2 . 1 1 137 137 THR CA C 137 61.990 61.990 61.416 0.574 19221 1797 1 2 . 1 1 137 137 THR CB C 137 71.200 71.200 70.718 0.482 19221 1798 1 2 . 1 1 137 137 THR H H 137 7.777 7.777 7.780 -0.003 19221 1799 1 2 . 1 1 138 138 HIS N N 138 113.660 113.660 117.392 -3.732 19221 1800 1 2 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.238 -0.279 19221 1801 1 2 . 1 1 138 138 HIS C C 138 173.700 173.700 174.039 -0.339 19221 1802 1 2 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.642 -1.312 19221 1803 1 2 . 1 1 138 138 HIS CB C 138 25.410 25.410 26.336 -0.926 19221 1804 1 2 . 1 1 138 138 HIS H H 138 7.567 7.567 8.090 -0.523 19221 1805 1 2 . 1 1 139 139 LEU N N 139 120.070 120.070 119.688 0.382 19221 1806 1 2 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.883 -0.040 19221 1807 1 2 . 1 1 139 139 LEU C C 139 174.376 174.376 175.506 -1.130 19221 1808 1 2 . 1 1 139 139 LEU CA C 139 51.870 51.870 51.767 0.103 19221 1809 1 2 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.770 1.980 19221 1810 1 2 . 1 1 139 139 LEU H H 139 7.513 7.513 7.429 0.084 19221 1811 1 2 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.511 -0.120 19221 1812 1 2 . 1 1 140 140 PRO C C 140 177.985 177.985 177.362 0.623 19221 1813 1 2 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.485 -0.095 19221 1814 1 2 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.532 -0.462 19221 1815 1 2 . 1 1 141 141 LYS N N 141 123.930 123.930 121.239 2.691 19221 1816 1 2 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.950 -0.131 19221 1817 1 2 . 1 1 141 141 LYS C C 141 178.083 178.083 178.192 -0.109 19221 1818 1 2 . 1 1 141 141 LYS CA C 141 60.830 60.830 59.583 1.247 19221 1819 1 2 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.427 -0.537 19221 1820 1 2 . 1 1 141 141 LYS H H 141 8.950 8.950 8.589 0.361 19221 1821 1 2 . 1 1 142 142 ASP N N 142 114.510 114.510 115.625 -1.115 19221 1822 1 2 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.543 -0.048 19221 1823 1 2 . 1 1 142 142 ASP C C 142 176.656 176.656 176.668 -0.012 19221 1824 1 2 . 1 1 142 142 ASP CA C 142 55.590 55.590 55.830 -0.240 19221 1825 1 2 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.817 -1.077 19221 1826 1 2 . 1 1 142 142 ASP H H 142 8.491 8.491 8.206 0.285 19221 1827 1 2 . 1 1 143 143 ASN N N 143 116.400 116.400 115.258 1.142 19221 1828 1 2 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.860 0.206 19221 1829 1 2 . 1 1 143 143 ASN C C 143 175.954 175.954 176.290 -0.336 19221 1830 1 2 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.251 -0.030 19221 1831 1 2 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.789 0.161 19221 1832 1 2 . 1 1 143 143 ASN H H 143 8.191 8.191 8.001 0.190 19221 1833 1 2 . 1 1 144 144 VAL N N 144 120.490 120.490 122.853 -2.363 19221 1834 1 2 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.651 -0.328 19221 1835 1 2 . 1 1 144 144 VAL C C 144 176.423 176.423 176.145 0.278 19221 1836 1 2 . 1 1 144 144 VAL CA C 144 66.990 66.990 65.552 1.438 19221 1837 1 2 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.441 -0.001 19221 1838 1 2 . 1 1 144 144 VAL H H 144 7.472 7.472 7.764 -0.292 19221 1839 1 2 . 1 1 145 145 GLU N N 145 122.340 122.340 118.598 3.742 19221 1840 1 2 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.710 -0.449 19221 1841 1 2 . 1 1 145 145 GLU C C 145 177.853 177.853 178.421 -0.568 19221 1842 1 2 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.225 1.605 19221 1843 1 2 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.023 0.787 19221 1844 1 2 . 1 1 145 145 GLU H H 145 9.141 9.141 8.474 0.667 19221 1845 1 2 . 1 1 146 146 HIS N N 146 116.970 116.970 118.734 -1.764 19221 1846 1 2 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.269 -0.096 19221 1847 1 2 . 1 1 146 146 HIS C C 146 177.947 177.947 177.375 0.572 19221 1848 1 2 . 1 1 146 146 HIS CA C 146 59.540 59.540 59.590 -0.050 19221 1849 1 2 . 1 1 146 146 HIS CB C 146 30.450 30.450 30.076 0.374 19221 1850 1 2 . 1 1 146 146 HIS H H 146 8.162 8.162 7.920 0.242 19221 1851 1 2 . 1 1 147 147 LEU N N 147 120.670 120.670 120.811 -0.141 19221 1852 1 2 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.140 -0.180 19221 1853 1 2 . 1 1 147 147 LEU C C 147 178.427 178.427 178.521 -0.094 19221 1854 1 2 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.694 0.576 19221 1855 1 2 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.673 0.063 19221 1856 1 2 . 1 1 147 147 LEU H H 147 7.336 7.336 7.639 -0.303 19221 1857 1 2 . 1 1 148 148 VAL N N 148 118.060 118.060 116.394 1.666 19221 1858 1 2 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.596 -0.373 19221 1859 1 2 . 1 1 148 148 VAL C C 148 177.801 177.801 178.081 -0.280 19221 1860 1 2 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.794 1.167 19221 1861 1 2 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.589 0.421 19221 1862 1 2 . 1 1 148 148 VAL H H 148 8.172 8.172 7.363 0.809 19221 1863 1 2 . 1 1 149 149 MET N N 149 117.770 117.770 119.799 -2.029 19221 1864 1 2 . 1 1 149 149 MET HA H 149 4.123 4.123 4.037 0.086 19221 1865 1 2 . 1 1 149 149 MET C C 149 179.823 179.823 178.562 1.261 19221 1866 1 2 . 1 1 149 149 MET CA C 149 58.630 58.630 59.380 -0.750 19221 1867 1 2 . 1 1 149 149 MET CB C 149 31.496 31.496 31.859 -0.363 19221 1868 1 2 . 1 1 149 149 MET H H 149 8.585 8.585 8.665 -0.080 19221 1869 1 2 . 1 1 150 150 ARG N N 150 121.900 121.900 119.914 1.986 19221 1870 1 2 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.037 0.057 19221 1871 1 2 . 1 1 150 150 ARG C C 150 177.928 177.928 178.304 -0.376 19221 1872 1 2 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.073 -0.923 19221 1873 1 2 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.713 -0.963 19221 1874 1 2 . 1 1 150 150 ARG H H 150 8.160 8.160 7.971 0.189 19221 1875 1 2 . 1 1 151 151 ALA N N 151 121.710 121.710 122.202 -0.492 19221 1876 1 2 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.982 -0.184 19221 1877 1 2 . 1 1 151 151 ALA C C 151 179.518 179.518 179.478 0.040 19221 1878 1 2 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.133 0.608 19221 1879 1 2 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.310 -0.420 19221 1880 1 2 . 1 1 151 151 ALA H H 151 8.165 8.165 7.535 0.629 19221 1881 1 2 . 1 1 152 152 ILE N N 152 118.590 118.590 118.263 0.327 19221 1882 1 2 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.928 0.454 19221 1883 1 2 . 1 1 152 152 ILE C C 152 181.439 181.439 178.422 3.017 19221 1884 1 2 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.660 -0.100 19221 1885 1 2 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.998 0.702 19221 1886 1 2 . 1 1 152 152 ILE H H 152 8.331 8.331 8.115 0.216 19221 1887 1 2 . 1 1 153 153 SER N N 153 120.250 120.250 115.169 5.081 19221 1888 1 2 . 1 1 153 153 SER HA H 153 4.279 4.279 4.235 0.044 19221 1889 1 2 . 1 1 153 153 SER C C 153 176.745 176.745 176.075 0.670 19221 1890 1 2 . 1 1 153 153 SER CA C 153 62.040 62.040 61.487 0.553 19221 1891 1 2 . 1 1 153 153 SER CB C 153 62.930 62.930 63.133 -0.203 19221 1892 1 2 . 1 1 153 153 SER H H 153 8.756 8.756 7.895 0.861 19221 1893 1 2 . 1 1 154 154 LEU N N 154 119.480 119.480 117.649 1.831 19221 1894 1 2 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.202 0.143 19221 1895 1 2 . 1 1 154 154 LEU C C 154 177.351 177.351 177.588 -0.237 19221 1896 1 2 . 1 1 154 154 LEU CA C 154 55.455 55.455 56.026 -0.570 19221 1897 1 2 . 1 1 154 154 LEU CB C 154 44.000 44.000 42.264 1.736 19221 1898 1 2 . 1 1 154 154 LEU H H 154 8.129 8.129 8.086 0.043 19221 1899 1 2 . 1 1 155 155 GLY N N 155 106.990 106.990 105.451 1.539 19221 1900 1 2 . 1 1 155 155 GLY C C 155 174.867 174.867 175.261 -0.394 19221 1901 1 2 . 1 1 155 155 GLY CA C 155 45.800 45.800 45.708 0.092 19221 1902 1 2 . 1 1 155 155 GLY H H 155 8.023 8.023 7.619 0.404 19221 1903 1 2 . 1 1 156 156 LEU N N 156 116.510 116.510 119.405 -2.895 19221 1904 1 2 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.050 0.210 19221 1905 1 2 . 1 1 156 156 LEU C C 156 175.387 175.387 176.190 -0.803 19221 1906 1 2 . 1 1 156 156 LEU CA C 156 55.930 55.930 57.209 -1.278 19221 1907 1 2 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.709 0.511 19221 1908 1 2 . 1 1 156 156 LEU H H 156 8.101 8.101 7.778 0.323 19221 1909 1 2 . 1 1 157 157 LEU N N 157 112.790 112.790 110.120 2.670 19221 1910 1 2 . 1 1 157 157 LEU HA H 157 5.000 5.000 4.997 0.003 19221 1911 1 2 . 1 1 157 157 LEU C C 157 175.382 175.382 174.852 0.530 19221 1912 1 2 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.550 0.090 19221 1913 1 2 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.181 1.379 19221 1914 1 2 . 1 1 157 157 LEU H H 157 7.194 7.194 7.278 -0.084 19221 1915 1 2 . 1 1 158 158 LYS N N 158 121.010 121.010 119.874 1.136 19221 1916 1 2 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.785 0.010 19221 1917 1 2 . 1 1 158 158 LYS C C 158 175.461 175.461 175.471 -0.010 19221 1918 1 2 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.711 0.349 19221 1919 1 2 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.218 1.972 19221 1920 1 2 . 1 1 158 158 LYS H H 158 9.056 9.056 8.819 0.237 19221 1921 1 2 . 1 1 159 159 GLY N N 159 109.800 109.800 111.180 -1.380 19221 1922 1 2 . 1 1 159 159 GLY C C 159 170.992 170.992 173.015 -2.023 19221 1923 1 2 . 1 1 159 159 GLY CA C 159 46.140 46.140 44.972 1.167 19221 1924 1 2 . 1 1 159 159 GLY H H 159 8.287 8.287 8.105 0.182 19221 1925 1 2 . 1 1 160 160 SER N N 160 112.940 112.940 114.734 -1.794 19221 1926 1 2 . 1 1 160 160 SER HA H 160 4.780 4.780 4.727 0.053 19221 1927 1 2 . 1 1 160 160 SER C C 160 172.525 172.525 173.315 -0.790 19221 1928 1 2 . 1 1 160 160 SER CA C 160 56.840 56.840 57.442 -0.602 19221 1929 1 2 . 1 1 160 160 SER CB C 160 65.660 65.660 66.090 -0.430 19221 1930 1 2 . 1 1 160 160 SER H H 160 8.847 8.847 8.821 0.026 19221 1931 1 2 . 1 1 161 161 ILE N N 161 123.020 123.020 123.652 -0.632 19221 1932 1 2 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.083 0.323 19221 1933 1 2 . 1 1 161 161 ILE C C 161 174.457 174.457 176.221 -1.764 19221 1934 1 2 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.321 0.098 19221 1935 1 2 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.529 1.699 19221 1936 1 2 . 1 1 161 161 ILE H H 161 8.867 8.867 8.685 0.182 19221 1937 1 2 . 1 1 162 162 ASP N N 162 128.130 128.130 127.249 0.881 19221 1938 1 2 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.932 -0.016 19221 1939 1 2 . 1 1 162 162 ASP C C 162 176.575 176.575 176.447 0.128 19221 1940 1 2 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.509 -0.769 19221 1941 1 2 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.608 0.532 19221 1942 1 2 . 1 1 162 162 ASP H H 162 8.955 8.955 8.707 0.248 19221 1943 1 2 . 1 1 163 163 GLN N N 163 123.480 123.480 122.355 1.125 19221 1944 1 2 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.015 -0.162 19221 1945 1 2 . 1 1 163 163 GLN C C 163 177.627 177.627 177.733 -0.106 19221 1946 1 2 . 1 1 163 163 GLN CA C 163 59.210 59.210 59.205 0.005 19221 1947 1 2 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.754 0.166 19221 1948 1 2 . 1 1 163 163 GLN H H 163 8.982 8.982 8.564 0.418 19221 1949 1 2 . 1 1 164 164 VAL N N 164 119.220 119.220 118.559 0.661 19221 1950 1 2 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.824 -0.141 19221 1951 1 2 . 1 1 164 164 VAL C C 164 177.519 177.519 176.357 1.162 19221 1952 1 2 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.429 1.341 19221 1953 1 2 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.495 0.435 19221 1954 1 2 . 1 1 164 164 VAL H H 164 7.974 7.974 8.339 -0.365 19221 1955 1 2 . 1 1 165 165 ASN N N 165 114.430 114.430 114.877 -0.447 19221 1956 1 2 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.795 -0.194 19221 1957 1 2 . 1 1 165 165 ASN C C 165 172.795 172.795 173.964 -1.169 19221 1958 1 2 . 1 1 165 165 ASN CA C 165 52.900 52.900 52.890 0.010 19221 1959 1 2 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.467 -0.637 19221 1960 1 2 . 1 1 165 165 ASN H H 165 7.502 7.502 7.571 -0.069 19221 1961 1 2 . 1 1 166 166 GLU N N 166 116.970 116.970 115.422 1.548 19221 1962 1 2 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.623 -0.609 19221 1963 1 2 . 1 1 166 166 GLU C C 166 174.562 174.562 173.886 0.676 19221 1964 1 2 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.882 -0.654 19221 1965 1 2 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.816 0.000 19221 1966 1 2 . 1 1 166 166 GLU H H 166 7.268 7.268 7.716 -0.448 19221 1967 1 2 . 1 1 167 167 LEU N N 167 117.360 117.360 115.921 1.439 19221 1968 1 2 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.125 -0.127 19221 1969 1 2 . 1 1 167 167 LEU C C 167 175.659 175.659 175.773 -0.114 19221 1970 1 2 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.113 0.557 19221 1971 1 2 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.370 0.940 19221 1972 1 2 . 1 1 167 167 LEU H H 167 7.699 7.699 7.558 0.141 19221 1973 1 2 . 1 1 168 168 VAL N N 168 125.350 125.350 117.708 7.642 19221 1974 1 2 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.762 0.077 19221 1975 1 2 . 1 1 168 168 VAL C C 168 174.792 174.792 174.734 0.058 19221 1976 1 2 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.880 0.251 19221 1977 1 2 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.409 -2.060 19221 1978 1 2 . 1 1 168 168 VAL H H 168 9.445 9.445 8.979 0.466 19221 1979 1 2 . 1 1 169 169 THR N N 169 123.020 123.020 122.127 0.893 19221 1980 1 2 . 1 1 169 169 THR HA H 169 4.869 4.869 4.956 -0.087 19221 1981 1 2 . 1 1 169 169 THR C C 169 173.876 173.876 173.507 0.369 19221 1982 1 2 . 1 1 169 169 THR CA C 169 61.580 61.580 61.934 -0.354 19221 1983 1 2 . 1 1 169 169 THR CB C 169 69.750 69.750 69.785 -0.035 19221 1984 1 2 . 1 1 169 169 THR H H 169 8.824 8.824 9.103 -0.279 19221 1985 1 2 . 1 1 170 170 ILE N N 170 126.700 126.700 127.549 -0.849 19221 1986 1 2 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.292 0.250 19221 1987 1 2 . 1 1 170 170 ILE C C 170 175.672 175.672 174.931 0.741 19221 1988 1 2 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.776 -0.446 19221 1989 1 2 . 1 1 170 170 ILE CB C 170 39.610 39.610 39.509 0.101 19221 1990 1 2 . 1 1 170 170 ILE H H 170 8.911 8.911 8.196 0.715 19221 1991 1 2 . 1 1 171 171 SER N N 171 122.780 122.780 120.843 1.937 19221 1992 1 2 . 1 1 171 171 SER HA H 171 4.670 4.670 4.826 -0.156 19221 1993 1 2 . 1 1 171 171 SER C C 171 174.700 174.700 173.547 1.153 19221 1994 1 2 . 1 1 171 171 SER CA C 171 58.280 58.280 59.089 -0.809 19221 1995 1 2 . 1 1 171 171 SER CB C 171 64.560 64.560 65.533 -0.973 19221 1996 1 2 . 1 1 171 171 SER H H 171 9.242 9.242 9.154 0.088 19221 1997 1 2 . 1 1 172 172 TRP N N 172 123.970 123.970 120.327 3.643 19221 1998 1 2 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.996 -0.361 19221 1999 1 2 . 1 1 172 172 TRP C C 172 172.618 172.618 173.532 -0.914 19221 2000 1 2 . 1 1 172 172 TRP CA C 172 58.910 58.910 57.934 0.976 19221 2001 1 2 . 1 1 172 172 TRP CB C 172 31.650 31.650 33.155 -1.505 19221 2002 1 2 . 1 1 172 172 TRP H H 172 7.929 7.929 7.694 0.235 19221 2003 1 2 . 1 1 173 173 VAL N N 173 123.660 123.660 122.803 0.857 19221 2004 1 2 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.143 -0.013 19221 2005 1 2 . 1 1 173 173 VAL C C 173 170.746 170.746 173.314 -2.568 19221 2006 1 2 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.114 -0.014 19221 2007 1 2 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.778 0.442 19221 2008 1 2 . 1 1 173 173 VAL H H 173 6.764 6.764 7.590 -0.826 19221 2009 1 2 . 1 1 174 174 GLN N N 174 126.430 126.430 125.410 1.020 19221 2010 1 2 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.965 -0.359 19221 2011 1 2 . 1 1 174 174 GLN C C 174 172.955 172.955 174.100 -1.145 19221 2012 1 2 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.837 -0.787 19221 2013 1 2 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.466 1.294 19221 2014 1 2 . 1 1 174 174 GLN H H 174 7.071 7.071 8.185 -1.114 19221 2015 1 2 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.146 -0.285 19221 2016 1 2 . 1 1 175 175 PRO C C 175 175.955 175.955 176.193 -0.238 19221 2017 1 2 . 1 1 175 175 PRO CA C 175 62.750 62.750 62.935 -0.186 19221 2018 1 2 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.422 -0.022 19221 2019 1 3 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.208 -0.068 19221 2020 1 3 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.245 -0.155 19221 2021 1 3 . 1 1 2 2 LYS CB C 2 32.930 32.930 32.908 0.022 19221 2022 1 3 . 1 1 4 4 ASP C C 4 176.140 176.140 177.532 -1.392 19221 2023 1 3 . 1 1 4 4 ASP CA C 4 55.530 55.530 54.230 1.300 19221 2024 1 3 . 1 1 4 4 ASP CB C 4 41.980 41.980 42.117 -0.137 19221 2025 1 3 . 1 1 5 5 PHE N N 5 122.270 122.270 121.753 0.517 19221 2026 1 3 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.306 -0.127 19221 2027 1 3 . 1 1 5 5 PHE C C 5 177.706 177.706 177.460 0.246 19221 2028 1 3 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.603 0.277 19221 2029 1 3 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.052 -0.152 19221 2030 1 3 . 1 1 5 5 PHE H H 5 7.853 7.853 8.685 -0.832 19221 2031 1 3 . 1 1 6 6 ASN N N 6 114.920 114.920 118.909 -3.989 19221 2032 1 3 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.572 -0.171 19221 2033 1 3 . 1 1 6 6 ASN C C 6 176.990 176.990 177.971 -0.981 19221 2034 1 3 . 1 1 6 6 ASN CA C 6 56.470 56.470 57.038 -0.568 19221 2035 1 3 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.333 0.890 19221 2036 1 3 . 1 1 6 6 ASN H H 6 8.051 8.051 9.011 -0.960 19221 2037 1 3 . 1 1 7 7 SER N N 7 112.970 112.970 117.940 -4.970 19221 2038 1 3 . 1 1 7 7 SER HA H 7 4.435 4.435 4.306 0.129 19221 2039 1 3 . 1 1 7 7 SER C C 7 177.780 177.780 176.798 0.982 19221 2040 1 3 . 1 1 7 7 SER CA C 7 61.440 61.440 61.658 -0.218 19221 2041 1 3 . 1 1 7 7 SER CB C 7 62.770 62.770 63.193 -0.423 19221 2042 1 3 . 1 1 7 7 SER H H 7 8.041 8.041 8.109 -0.068 19221 2043 1 3 . 1 1 8 8 PHE N N 8 123.560 123.560 123.609 -0.049 19221 2044 1 3 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.254 -0.187 19221 2045 1 3 . 1 1 8 8 PHE C C 8 177.959 177.959 177.316 0.643 19221 2046 1 3 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.791 0.319 19221 2047 1 3 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.190 -0.224 19221 2048 1 3 . 1 1 8 8 PHE H H 8 8.364 8.364 8.536 -0.172 19221 2049 1 3 . 1 1 9 9 TYR N N 9 122.550 122.550 121.367 1.183 19221 2050 1 3 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.060 -0.060 19221 2051 1 3 . 1 1 9 9 TYR C C 9 176.360 176.360 176.856 -0.496 19221 2052 1 3 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.243 -0.233 19221 2053 1 3 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.455 -0.255 19221 2054 1 3 . 1 1 9 9 TYR H H 9 8.230 8.230 8.955 -0.725 19221 2055 1 3 . 1 1 10 10 TYR N N 10 115.490 115.490 119.483 -3.993 19221 2056 1 3 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.127 -0.021 19221 2057 1 3 . 1 1 10 10 TYR C C 10 180.280 180.280 177.608 2.672 19221 2058 1 3 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.765 0.755 19221 2059 1 3 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.856 -0.926 19221 2060 1 3 . 1 1 10 10 TYR H H 10 7.958 7.958 8.723 -0.765 19221 2061 1 3 . 1 1 11 11 THR N N 11 115.140 115.140 117.035 -1.895 19221 2062 1 3 . 1 1 11 11 THR HA H 11 3.934 3.934 3.671 0.263 19221 2063 1 3 . 1 1 11 11 THR CA C 11 66.560 66.560 66.972 -0.411 19221 2064 1 3 . 1 1 11 11 THR CB C 11 68.750 68.750 68.269 0.481 19221 2065 1 3 . 1 1 11 11 THR H H 11 8.806 8.806 8.671 0.136 19221 2066 1 3 . 1 1 12 12 SER N N 12 120.384 120.384 118.509 1.875 19221 2067 1 3 . 1 1 12 12 SER HA H 12 3.346 3.346 4.186 -0.840 19221 2068 1 3 . 1 1 12 12 SER C C 12 175.891 175.891 176.284 -0.393 19221 2069 1 3 . 1 1 12 12 SER CA C 12 62.740 62.740 62.685 0.055 19221 2070 1 3 . 1 1 12 12 SER CB C 12 62.580 62.580 62.850 -0.270 19221 2071 1 3 . 1 1 12 12 SER H H 12 8.151 8.151 8.098 0.052 19221 2072 1 3 . 1 1 13 13 LEU N N 13 121.640 121.640 121.958 -0.318 19221 2073 1 3 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.890 -0.089 19221 2074 1 3 . 1 1 13 13 LEU C C 13 180.374 180.374 178.565 1.809 19221 2075 1 3 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.697 0.652 19221 2076 1 3 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.485 -0.075 19221 2077 1 3 . 1 1 13 13 LEU H H 13 7.893 7.893 8.002 -0.109 19221 2078 1 3 . 1 1 14 14 LEU N N 14 120.470 120.470 120.597 -0.127 19221 2079 1 3 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.692 0.469 19221 2080 1 3 . 1 1 14 14 LEU C C 14 179.880 179.880 178.190 1.690 19221 2081 1 3 . 1 1 14 14 LEU CA C 14 58.000 58.000 58.051 -0.051 19221 2082 1 3 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.626 -0.076 19221 2083 1 3 . 1 1 14 14 LEU H H 14 7.528 7.528 8.156 -0.628 19221 2084 1 3 . 1 1 15 15 TYR N N 15 122.257 122.257 120.312 1.945 19221 2085 1 3 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.164 0.101 19221 2086 1 3 . 1 1 15 15 TYR C C 15 177.033 177.033 178.069 -1.036 19221 2087 1 3 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.175 -0.445 19221 2088 1 3 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.600 -0.500 19221 2089 1 3 . 1 1 15 15 TYR H H 15 8.135 8.135 8.366 -0.231 19221 2090 1 3 . 1 1 16 16 LEU N N 16 118.440 118.440 118.043 0.397 19221 2091 1 3 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.923 -0.118 19221 2092 1 3 . 1 1 16 16 LEU C C 16 179.055 179.055 178.974 0.081 19221 2093 1 3 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.744 -0.531 19221 2094 1 3 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.390 0.675 19221 2095 1 3 . 1 1 16 16 LEU H H 16 8.452 8.452 7.842 0.610 19221 2096 1 3 . 1 1 17 17 SER N N 17 114.450 114.450 117.552 -3.102 19221 2097 1 3 . 1 1 17 17 SER HA H 17 4.430 4.430 4.232 0.198 19221 2098 1 3 . 1 1 17 17 SER C C 17 175.197 175.197 176.231 -1.034 19221 2099 1 3 . 1 1 17 17 SER CA C 17 61.040 61.040 61.658 -0.618 19221 2100 1 3 . 1 1 17 17 SER CB C 17 63.460 63.460 63.043 0.417 19221 2101 1 3 . 1 1 17 17 SER H H 17 7.848 7.848 8.393 -0.545 19221 2102 1 3 . 1 1 18 18 THR N N 18 110.850 110.850 113.102 -2.252 19221 2103 1 3 . 1 1 18 18 THR HA H 18 4.452 4.452 4.183 0.269 19221 2104 1 3 . 1 1 18 18 THR C C 18 174.439 174.439 174.775 -0.336 19221 2105 1 3 . 1 1 18 18 THR CA C 18 61.421 61.421 62.042 -0.621 19221 2106 1 3 . 1 1 18 18 THR CB C 18 69.940 69.940 69.114 0.826 19221 2107 1 3 . 1 1 18 18 THR H H 18 7.505 7.505 7.869 -0.364 19221 2108 1 3 . 1 1 19 19 LEU N N 19 123.180 123.180 123.334 -0.154 19221 2109 1 3 . 1 1 19 19 LEU HA H 19 4.160 4.160 3.992 0.168 19221 2110 1 3 . 1 1 19 19 LEU C C 19 176.926 176.926 176.644 0.282 19221 2111 1 3 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.473 -0.183 19221 2112 1 3 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.474 -0.026 19221 2113 1 3 . 1 1 19 19 LEU H H 19 7.095 7.095 7.090 0.005 19221 2114 1 3 . 1 1 20 20 GLU N N 20 125.330 125.330 124.485 0.845 19221 2115 1 3 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.402 0.206 19221 2116 1 3 . 1 1 20 20 GLU C C 20 175.915 175.915 176.438 -0.523 19221 2117 1 3 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.020 -0.247 19221 2118 1 3 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.436 0.154 19221 2119 1 3 . 1 1 20 20 GLU H H 20 8.535 8.535 8.386 0.149 19221 2120 1 3 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.250 0.083 19221 2121 1 3 . 1 1 21 21 PRO C C 21 177.196 177.196 176.952 0.244 19221 2122 1 3 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.871 -0.091 19221 2123 1 3 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.707 0.143 19221 2124 1 3 . 1 1 22 22 SER N N 22 111.220 111.220 111.269 -0.049 19221 2125 1 3 . 1 1 22 22 SER HA H 22 4.398 4.398 4.288 0.110 19221 2126 1 3 . 1 1 22 22 SER C C 22 175.056 175.056 174.323 0.733 19221 2127 1 3 . 1 1 22 22 SER CA C 22 58.530 58.530 59.078 -0.548 19221 2128 1 3 . 1 1 22 22 SER CB C 22 63.500 63.500 63.063 0.437 19221 2129 1 3 . 1 1 22 22 SER H H 22 7.967 7.967 7.939 0.028 19221 2130 1 3 . 1 1 23 23 THR N N 23 117.440 117.440 112.823 4.617 19221 2131 1 3 . 1 1 23 23 THR HA H 23 4.279 4.279 3.857 0.422 19221 2132 1 3 . 1 1 23 23 THR C C 23 174.573 174.573 175.546 -0.973 19221 2133 1 3 . 1 1 23 23 THR CA C 23 62.920 62.920 63.278 -0.358 19221 2134 1 3 . 1 1 23 23 THR CB C 23 69.260 69.260 67.180 2.080 19221 2135 1 3 . 1 1 23 23 THR H H 23 7.936 7.936 8.043 -0.107 19221 2136 1 3 . 1 1 24 24 SER N N 24 119.820 119.820 114.428 5.392 19221 2137 1 3 . 1 1 24 24 SER HA H 24 4.485 4.485 4.160 0.325 19221 2138 1 3 . 1 1 24 24 SER C C 24 174.082 174.082 174.952 -0.870 19221 2139 1 3 . 1 1 24 24 SER CA C 24 58.600 58.600 59.967 -1.367 19221 2140 1 3 . 1 1 24 24 SER CB C 24 63.430 63.430 62.947 0.483 19221 2141 1 3 . 1 1 24 24 SER H H 24 8.438 8.438 8.589 -0.151 19221 2142 1 3 . 1 1 25 25 ILE N N 25 123.140 123.140 120.656 2.484 19221 2143 1 3 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.131 0.348 19221 2144 1 3 . 1 1 25 25 ILE C C 25 176.472 176.472 177.192 -0.720 19221 2145 1 3 . 1 1 25 25 ILE CA C 25 61.010 61.010 62.015 -1.005 19221 2146 1 3 . 1 1 25 25 ILE CB C 25 39.460 39.460 38.771 0.689 19221 2147 1 3 . 1 1 25 25 ILE H H 25 7.870 7.870 7.584 0.286 19221 2148 1 3 . 1 1 26 26 THR N N 26 118.120 118.120 116.829 1.291 19221 2149 1 3 . 1 1 26 26 THR HA H 26 4.394 4.394 4.618 -0.224 19221 2150 1 3 . 1 1 26 26 THR C C 26 175.540 175.540 175.436 0.104 19221 2151 1 3 . 1 1 26 26 THR CA C 26 61.890 61.890 60.283 1.607 19221 2152 1 3 . 1 1 26 26 THR CB C 26 71.320 71.320 71.177 0.144 19221 2153 1 3 . 1 1 26 26 THR H H 26 8.649 8.649 8.391 0.258 19221 2154 1 3 . 1 1 27 27 LEU N N 27 123.130 123.130 121.651 1.479 19221 2155 1 3 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.094 -0.005 19221 2156 1 3 . 1 1 27 27 LEU C C 27 178.653 178.653 178.241 0.412 19221 2157 1 3 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.991 0.769 19221 2158 1 3 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.419 -0.239 19221 2159 1 3 . 1 1 27 27 LEU H H 27 8.766 8.766 8.553 0.213 19221 2160 1 3 . 1 1 28 28 ALA N N 28 119.510 119.510 121.078 -1.568 19221 2161 1 3 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.016 0.247 19221 2162 1 3 . 1 1 28 28 ALA C C 28 178.218 178.218 179.829 -1.611 19221 2163 1 3 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.948 0.372 19221 2164 1 3 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.072 0.048 19221 2165 1 3 . 1 1 28 28 ALA H H 28 8.546 8.546 8.284 0.262 19221 2166 1 3 . 1 1 29 29 GLU N N 29 118.210 118.210 118.329 -0.119 19221 2167 1 3 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.025 0.056 19221 2168 1 3 . 1 1 29 29 GLU C C 29 179.929 179.929 179.330 0.599 19221 2169 1 3 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.510 -0.210 19221 2170 1 3 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.603 0.473 19221 2171 1 3 . 1 1 29 29 GLU H H 29 7.719 7.719 8.112 -0.393 19221 2172 1 3 . 1 1 30 30 ARG N N 30 121.350 121.350 119.864 1.486 19221 2173 1 3 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.032 -0.073 19221 2174 1 3 . 1 1 30 30 ARG C C 30 177.538 177.538 178.959 -1.421 19221 2175 1 3 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.665 0.980 19221 2176 1 3 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.055 0.945 19221 2177 1 3 . 1 1 30 30 ARG H H 30 8.410 8.410 8.201 0.209 19221 2178 1 3 . 1 1 31 31 GLN N N 31 117.670 117.670 119.346 -1.676 19221 2179 1 3 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.088 -0.136 19221 2180 1 3 . 1 1 31 31 GLN C C 31 178.220 178.220 178.927 -0.707 19221 2181 1 3 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.331 -0.376 19221 2182 1 3 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.648 -0.017 19221 2183 1 3 . 1 1 31 31 GLN H H 31 8.742 8.742 8.430 0.312 19221 2184 1 3 . 1 1 32 32 GLN N N 32 117.910 117.910 118.836 -0.926 19221 2185 1 3 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.229 -0.242 19221 2186 1 3 . 1 1 32 32 GLN C C 32 177.712 177.712 178.749 -1.037 19221 2187 1 3 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.214 0.116 19221 2188 1 3 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.310 0.010 19221 2189 1 3 . 1 1 32 32 GLN H H 32 7.732 7.732 7.834 -0.102 19221 2190 1 3 . 1 1 33 33 LEU N N 33 119.680 119.680 121.767 -2.087 19221 2191 1 3 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.045 0.359 19221 2192 1 3 . 1 1 33 33 LEU C C 33 178.876 178.876 177.816 1.060 19221 2193 1 3 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.475 0.575 19221 2194 1 3 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.425 0.375 19221 2195 1 3 . 1 1 33 33 LEU H H 33 7.846 7.846 8.515 -0.669 19221 2196 1 3 . 1 1 34 34 ALA N N 34 121.660 121.660 122.082 -0.422 19221 2197 1 3 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.930 -0.189 19221 2198 1 3 . 1 1 34 34 ALA C C 34 180.025 180.025 179.156 0.869 19221 2199 1 3 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.282 0.388 19221 2200 1 3 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.058 0.882 19221 2201 1 3 . 1 1 34 34 ALA H H 34 8.308 8.308 8.549 -0.241 19221 2202 1 3 . 1 1 35 35 TYR N N 35 120.860 120.860 119.423 1.437 19221 2203 1 3 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.652 0.106 19221 2204 1 3 . 1 1 35 35 TYR C C 35 176.384 176.384 177.040 -0.656 19221 2205 1 3 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.626 0.394 19221 2206 1 3 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.581 0.878 19221 2207 1 3 . 1 1 35 35 TYR H H 35 8.457 8.457 8.264 0.193 19221 2208 1 3 . 1 1 36 36 ASP N N 36 120.570 120.570 119.254 1.316 19221 2209 1 3 . 1 1 36 36 ASP HA H 36 4.235 4.235 3.893 0.342 19221 2210 1 3 . 1 1 36 36 ASP C C 36 180.544 180.544 178.481 2.063 19221 2211 1 3 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.176 0.764 19221 2212 1 3 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.767 -0.297 19221 2213 1 3 . 1 1 36 36 ASP H H 36 9.072 9.072 8.212 0.860 19221 2214 1 3 . 1 1 37 37 LEU N N 37 123.000 123.000 121.081 1.919 19221 2215 1 3 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.091 0.055 19221 2216 1 3 . 1 1 37 37 LEU C C 37 178.743 178.743 178.326 0.417 19221 2217 1 3 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.490 0.124 19221 2218 1 3 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.947 0.863 19221 2219 1 3 . 1 1 37 37 LEU H H 37 9.068 9.068 8.391 0.677 19221 2220 1 3 . 1 1 38 38 SER N N 38 116.650 116.650 115.603 1.047 19221 2221 1 3 . 1 1 38 38 SER HA H 38 3.680 3.680 4.097 -0.417 19221 2222 1 3 . 1 1 38 38 SER C C 38 174.113 174.113 176.757 -2.644 19221 2223 1 3 . 1 1 38 38 SER CA C 38 59.430 59.430 62.341 -2.911 19221 2224 1 3 . 1 1 38 38 SER CB C 38 63.559 63.559 62.765 0.794 19221 2225 1 3 . 1 1 38 38 SER H H 38 7.824 7.824 7.921 -0.097 19221 2226 1 3 . 1 1 39 39 ILE N N 39 121.198 121.198 122.194 -0.996 19221 2227 1 3 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.492 -0.087 19221 2228 1 3 . 1 1 39 39 ILE C C 39 176.113 176.113 177.639 -1.526 19221 2229 1 3 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.603 -1.243 19221 2230 1 3 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.532 -1.184 19221 2231 1 3 . 1 1 39 39 ILE H H 39 8.313 8.313 8.289 0.024 19221 2232 1 3 . 1 1 40 40 SER N N 40 115.537 115.537 115.890 -0.353 19221 2233 1 3 . 1 1 40 40 SER HA H 40 4.534 4.534 4.132 0.402 19221 2234 1 3 . 1 1 40 40 SER C C 40 174.881 174.881 175.823 -0.942 19221 2235 1 3 . 1 1 40 40 SER CA C 40 62.520 62.520 61.973 0.547 19221 2236 1 3 . 1 1 40 40 SER CB C 40 62.670 62.670 62.855 -0.185 19221 2237 1 3 . 1 1 40 40 SER H H 40 7.961 7.961 8.276 -0.315 19221 2238 1 3 . 1 1 41 41 ALA N N 41 123.360 123.360 122.890 0.470 19221 2239 1 3 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.908 -0.316 19221 2240 1 3 . 1 1 41 41 ALA C C 41 178.822 178.822 179.873 -1.051 19221 2241 1 3 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.334 -0.212 19221 2242 1 3 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.583 -0.193 19221 2243 1 3 . 1 1 41 41 ALA H H 41 7.878 7.878 7.739 0.139 19221 2244 1 3 . 1 1 42 42 LEU N N 42 115.790 115.790 119.459 -3.669 19221 2245 1 3 . 1 1 42 42 LEU HA H 42 3.576 3.576 3.957 -0.381 19221 2246 1 3 . 1 1 42 42 LEU C C 42 179.683 179.683 178.490 1.193 19221 2247 1 3 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.474 1.256 19221 2248 1 3 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.127 0.083 19221 2249 1 3 . 1 1 42 42 LEU H H 42 7.737 7.737 7.931 -0.194 19221 2250 1 3 . 1 1 43 43 LEU N N 43 113.670 113.670 114.441 -0.771 19221 2251 1 3 . 1 1 43 43 LEU HA H 43 4.007 4.007 3.847 0.160 19221 2252 1 3 . 1 1 43 43 LEU C C 43 177.279 177.279 177.012 0.267 19221 2253 1 3 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.629 0.301 19221 2254 1 3 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.692 0.128 19221 2255 1 3 . 1 1 43 43 LEU H H 43 7.798 7.798 7.665 0.133 19221 2256 1 3 . 1 1 44 44 GLY N N 44 108.270 108.270 108.636 -0.366 19221 2257 1 3 . 1 1 44 44 GLY C C 44 177.020 177.020 175.293 1.727 19221 2258 1 3 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.913 1.977 19221 2259 1 3 . 1 1 44 44 GLY H H 44 7.984 7.984 7.802 0.182 19221 2260 1 3 . 1 1 45 45 ASP N N 45 128.400 128.400 125.291 3.109 19221 2261 1 3 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.595 -0.036 19221 2262 1 3 . 1 1 45 45 ASP C C 45 177.183 177.183 176.329 0.854 19221 2263 1 3 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.551 -1.101 19221 2264 1 3 . 1 1 45 45 ASP CB C 45 39.790 39.790 40.659 -0.869 19221 2265 1 3 . 1 1 45 45 ASP H H 45 9.073 9.073 8.423 0.650 19221 2266 1 3 . 1 1 46 46 LYS N N 46 117.230 117.230 114.672 2.558 19221 2267 1 3 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.582 0.363 19221 2268 1 3 . 1 1 46 46 LYS C C 46 176.544 176.544 177.256 -0.712 19221 2269 1 3 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.632 -0.022 19221 2270 1 3 . 1 1 46 46 LYS CB C 46 33.960 33.960 33.678 0.282 19221 2271 1 3 . 1 1 46 46 LYS H H 46 8.987 8.987 8.239 0.748 19221 2272 1 3 . 1 1 47 47 ILE N N 47 121.540 121.540 120.692 0.848 19221 2273 1 3 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.840 0.257 19221 2274 1 3 . 1 1 47 47 ILE C C 47 174.082 174.082 177.509 -3.427 19221 2275 1 3 . 1 1 47 47 ILE CA C 47 61.080 61.080 64.492 -3.412 19221 2276 1 3 . 1 1 47 47 ILE CB C 47 37.008 37.008 38.701 -1.693 19221 2277 1 3 . 1 1 47 47 ILE H H 47 6.840 6.840 7.944 -1.104 19221 2278 1 3 . 1 1 48 48 TYR N N 48 123.820 123.820 115.224 8.596 19221 2279 1 3 . 1 1 48 48 TYR HA H 48 4.309 4.309 3.418 0.891 19221 2280 1 3 . 1 1 48 48 TYR C C 48 173.249 173.249 175.013 -1.764 19221 2281 1 3 . 1 1 48 48 TYR CA C 48 57.350 57.350 60.740 -3.390 19221 2282 1 3 . 1 1 48 48 TYR CB C 48 39.230 39.230 35.680 3.550 19221 2283 1 3 . 1 1 48 48 TYR H H 48 8.511 8.511 8.055 0.456 19221 2284 1 3 . 1 1 49 49 ASN N N 49 116.100 116.100 117.948 -1.848 19221 2285 1 3 . 1 1 49 49 ASN HA H 49 4.451 4.451 3.709 0.742 19221 2286 1 3 . 1 1 49 49 ASN C C 49 175.429 175.429 176.965 -1.536 19221 2287 1 3 . 1 1 49 49 ASN CA C 49 53.077 53.077 56.044 -2.967 19221 2288 1 3 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.537 1.379 19221 2289 1 3 . 1 1 49 49 ASN H H 49 6.906 6.906 8.027 -1.121 19221 2290 1 3 . 1 1 50 50 PHE N N 50 124.360 124.360 113.716 10.644 19221 2291 1 3 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.062 0.949 19221 2292 1 3 . 1 1 50 50 PHE C C 50 176.190 176.190 176.942 -0.752 19221 2293 1 3 . 1 1 50 50 PHE CA C 50 55.863 55.863 59.602 -3.739 19221 2294 1 3 . 1 1 50 50 PHE CB C 50 38.482 38.482 36.208 2.274 19221 2295 1 3 . 1 1 50 50 PHE H H 50 8.980 8.980 8.480 0.500 19221 2296 1 3 . 1 1 51 51 GLY N N 51 109.740 109.740 106.652 3.088 19221 2297 1 3 . 1 1 51 51 GLY C C 51 175.758 175.758 175.815 -0.057 19221 2298 1 3 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.025 1.275 19221 2299 1 3 . 1 1 51 51 GLY H H 51 8.658 8.658 8.355 0.303 19221 2300 1 3 . 1 1 52 52 GLU N N 52 120.700 120.700 122.528 -1.828 19221 2301 1 3 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.136 -0.054 19221 2302 1 3 . 1 1 52 52 GLU C C 52 178.240 178.240 179.385 -1.145 19221 2303 1 3 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.221 -0.011 19221 2304 1 3 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.532 0.207 19221 2305 1 3 . 1 1 52 52 GLU H H 52 8.321 8.321 8.812 -0.491 19221 2306 1 3 . 1 1 53 53 LEU N N 53 119.400 119.400 122.419 -3.019 19221 2307 1 3 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.173 -0.015 19221 2308 1 3 . 1 1 53 53 LEU C C 53 178.344 178.344 178.699 -0.355 19221 2309 1 3 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.992 -0.202 19221 2310 1 3 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.052 0.788 19221 2311 1 3 . 1 1 53 53 LEU H H 53 7.694 7.694 8.203 -0.509 19221 2312 1 3 . 1 1 54 54 LEU N N 54 114.230 114.230 114.416 -0.186 19221 2313 1 3 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.109 -0.186 19221 2314 1 3 . 1 1 54 54 LEU C C 54 178.643 178.643 177.243 1.400 19221 2315 1 3 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.428 1.302 19221 2316 1 3 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.805 0.045 19221 2317 1 3 . 1 1 54 54 LEU H H 54 8.369 8.369 8.160 0.209 19221 2318 1 3 . 1 1 55 55 HIS N N 55 113.420 113.420 111.998 1.422 19221 2319 1 3 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.784 -0.077 19221 2320 1 3 . 1 1 55 55 HIS C C 55 173.981 173.981 174.766 -0.785 19221 2321 1 3 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.587 -0.067 19221 2322 1 3 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.083 -1.803 19221 2323 1 3 . 1 1 55 55 HIS H H 55 7.569 7.569 7.540 0.029 19221 2324 1 3 . 1 1 56 56 HIS N N 56 126.050 126.050 123.080 2.970 19221 2325 1 3 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.685 -0.204 19221 2326 1 3 . 1 1 56 56 HIS C C 56 176.705 176.705 174.707 1.998 19221 2327 1 3 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.862 2.488 19221 2328 1 3 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.427 0.293 19221 2329 1 3 . 1 1 56 56 HIS H H 56 8.068 8.068 8.001 0.067 19221 2330 1 3 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.128 0.249 19221 2331 1 3 . 1 1 57 57 PRO C C 57 179.790 179.790 178.384 1.406 19221 2332 1 3 . 1 1 57 57 PRO CA C 57 65.440 65.440 65.260 0.180 19221 2333 1 3 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.582 0.848 19221 2334 1 3 . 1 1 58 58 ILE N N 58 124.900 124.900 119.576 5.324 19221 2335 1 3 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.716 0.554 19221 2336 1 3 . 1 1 58 58 ILE C C 58 177.782 177.782 177.075 0.707 19221 2337 1 3 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.841 -1.311 19221 2338 1 3 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.608 0.662 19221 2339 1 3 . 1 1 58 58 ILE H H 58 11.871 11.871 7.392 4.479 19221 2340 1 3 . 1 1 59 59 MET N N 59 120.230 120.230 116.389 3.841 19221 2341 1 3 . 1 1 59 59 MET HA H 59 4.431 4.431 4.240 0.191 19221 2342 1 3 . 1 1 59 59 MET C C 59 178.757 178.757 178.698 0.059 19221 2343 1 3 . 1 1 59 59 MET CA C 59 55.720 55.720 56.300 -0.580 19221 2344 1 3 . 1 1 59 59 MET CB C 59 30.980 30.980 30.799 0.181 19221 2345 1 3 . 1 1 59 59 MET H H 59 8.152 8.152 8.157 -0.005 19221 2346 1 3 . 1 1 60 60 GLU N N 60 119.080 119.080 118.395 0.685 19221 2347 1 3 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.998 0.010 19221 2348 1 3 . 1 1 60 60 GLU C C 60 178.242 178.242 177.972 0.270 19221 2349 1 3 . 1 1 60 60 GLU CA C 60 58.520 58.520 58.494 0.026 19221 2350 1 3 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.879 0.668 19221 2351 1 3 . 1 1 60 60 GLU H H 60 7.889 7.889 7.883 0.006 19221 2352 1 3 . 1 1 61 61 THR N N 61 106.740 106.740 108.587 -1.847 19221 2353 1 3 . 1 1 61 61 THR HA H 61 4.120 4.120 4.214 -0.094 19221 2354 1 3 . 1 1 61 61 THR C C 61 176.056 176.056 176.016 0.040 19221 2355 1 3 . 1 1 61 61 THR CA C 61 64.520 64.520 64.278 0.242 19221 2356 1 3 . 1 1 61 61 THR CB C 61 69.420 69.420 69.576 -0.156 19221 2357 1 3 . 1 1 61 61 THR H H 61 7.558 7.558 7.516 0.042 19221 2358 1 3 . 1 1 62 62 ILE N N 62 113.140 113.140 114.243 -1.103 19221 2359 1 3 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.601 -0.014 19221 2360 1 3 . 1 1 62 62 ILE C C 62 176.843 176.843 176.857 -0.014 19221 2361 1 3 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.380 0.410 19221 2362 1 3 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.571 -0.201 19221 2363 1 3 . 1 1 62 62 ILE H H 62 7.235 7.235 7.690 -0.455 19221 2364 1 3 . 1 1 63 63 VAL N N 63 122.110 122.110 119.235 2.875 19221 2365 1 3 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.073 0.273 19221 2366 1 3 . 1 1 63 63 VAL C C 63 175.165 175.165 175.717 -0.552 19221 2367 1 3 . 1 1 63 63 VAL CA C 63 64.440 64.440 64.725 -0.285 19221 2368 1 3 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.103 0.096 19221 2369 1 3 . 1 1 63 63 VAL H H 63 7.436 7.436 7.827 -0.391 19221 2370 1 3 . 1 1 64 64 ASN N N 64 116.810 116.810 115.476 1.334 19221 2371 1 3 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.707 0.074 19221 2372 1 3 . 1 1 64 64 ASN C C 64 174.101 174.101 173.901 0.200 19221 2373 1 3 . 1 1 64 64 ASN CA C 64 52.900 52.900 52.781 0.119 19221 2374 1 3 . 1 1 64 64 ASN CB C 64 38.779 38.779 39.513 -0.734 19221 2375 1 3 . 1 1 64 64 ASN H H 64 8.352 8.352 7.983 0.369 19221 2376 1 3 . 1 1 65 65 ASP N N 65 120.930 120.930 119.345 1.585 19221 2377 1 3 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.857 0.023 19221 2378 1 3 . 1 1 65 65 ASP C C 65 177.534 177.534 176.430 1.104 19221 2379 1 3 . 1 1 65 65 ASP CA C 65 53.170 53.170 53.465 -0.295 19221 2380 1 3 . 1 1 65 65 ASP CB C 65 43.100 43.100 43.602 -0.503 19221 2381 1 3 . 1 1 65 65 ASP H H 65 7.453 7.453 7.578 -0.125 19221 2382 1 3 . 1 1 66 66 SER HA H 66 4.356 4.356 4.166 0.190 19221 2383 1 3 . 1 1 66 66 SER C C 66 176.310 176.310 175.549 0.761 19221 2384 1 3 . 1 1 66 66 SER CA C 66 61.350 61.350 60.656 0.694 19221 2385 1 3 . 1 1 66 66 SER CB C 66 63.120 63.120 63.259 -0.139 19221 2386 1 3 . 1 1 66 66 SER H H 66 7.010 7.010 8.806 -1.796 19221 2387 1 3 . 1 1 67 67 ASN N N 67 120.050 120.050 119.758 0.292 19221 2388 1 3 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.325 0.280 19221 2389 1 3 . 1 1 67 67 ASN C C 67 176.107 176.107 175.532 0.575 19221 2390 1 3 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.645 -0.075 19221 2391 1 3 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.752 -0.152 19221 2392 1 3 . 1 1 67 67 ASN H H 67 9.014 9.014 8.196 0.818 19221 2393 1 3 . 1 1 68 68 TYR N N 68 114.840 114.840 112.399 2.441 19221 2394 1 3 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.130 0.389 19221 2395 1 3 . 1 1 68 68 TYR C C 68 175.709 175.709 175.801 -0.092 19221 2396 1 3 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.279 1.331 19221 2397 1 3 . 1 1 68 68 TYR CB C 68 39.750 39.750 38.332 1.418 19221 2398 1 3 . 1 1 68 68 TYR H H 68 8.276 8.276 7.497 0.779 19221 2399 1 3 . 1 1 69 69 ASP N N 69 122.810 122.810 122.666 0.144 19221 2400 1 3 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.432 0.020 19221 2401 1 3 . 1 1 69 69 ASP C C 69 178.371 178.371 177.689 0.682 19221 2402 1 3 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.220 0.410 19221 2403 1 3 . 1 1 69 69 ASP CB C 69 40.630 40.630 41.292 -0.662 19221 2404 1 3 . 1 1 69 69 ASP H H 69 7.806 7.806 8.426 -0.620 19221 2405 1 3 . 1 1 70 70 TRP N N 70 117.270 117.270 117.573 -0.303 19221 2406 1 3 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.500 -0.336 19221 2407 1 3 . 1 1 70 70 TRP C C 70 176.090 176.090 177.472 -1.382 19221 2408 1 3 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.088 -0.558 19221 2409 1 3 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.549 -0.999 19221 2410 1 3 . 1 1 70 70 TRP H H 70 8.172 8.172 7.828 0.344 19221 2411 1 3 . 1 1 71 71 LEU N N 71 125.263 125.263 121.825 3.438 19221 2412 1 3 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.630 -0.390 19221 2413 1 3 . 1 1 71 71 LEU C C 71 178.306 178.306 178.366 -0.060 19221 2414 1 3 . 1 1 71 71 LEU CA C 71 57.610 57.610 56.992 0.619 19221 2415 1 3 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.995 0.195 19221 2416 1 3 . 1 1 71 71 LEU H H 71 6.251 6.251 6.559 -0.308 19221 2417 1 3 . 1 1 72 72 PHE N N 72 117.630 117.630 119.972 -2.342 19221 2418 1 3 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.958 -0.145 19221 2419 1 3 . 1 1 72 72 PHE C C 72 178.797 178.797 177.102 1.695 19221 2420 1 3 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.676 0.895 19221 2421 1 3 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.878 -0.068 19221 2422 1 3 . 1 1 72 72 PHE H H 72 6.996 6.996 8.203 -1.207 19221 2423 1 3 . 1 1 73 73 GLN N N 73 117.950 117.950 117.699 0.251 19221 2424 1 3 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.682 0.384 19221 2425 1 3 . 1 1 73 73 GLN C C 73 179.341 179.341 178.249 1.092 19221 2426 1 3 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.912 0.178 19221 2427 1 3 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.771 -0.521 19221 2428 1 3 . 1 1 73 73 GLN H H 73 8.415 8.415 8.489 -0.074 19221 2429 1 3 . 1 1 74 74 LEU N N 74 122.275 122.275 122.684 -0.409 19221 2430 1 3 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.094 -0.024 19221 2431 1 3 . 1 1 74 74 LEU C C 74 177.889 177.889 178.216 -0.327 19221 2432 1 3 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.803 0.767 19221 2433 1 3 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.790 0.390 19221 2434 1 3 . 1 1 74 74 LEU H H 74 8.365 8.365 8.022 0.343 19221 2435 1 3 . 1 1 75 75 LEU N N 75 118.123 118.123 119.443 -1.320 19221 2436 1 3 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.707 0.020 19221 2437 1 3 . 1 1 75 75 LEU C C 75 180.172 180.172 179.126 1.046 19221 2438 1 3 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.528 -0.075 19221 2439 1 3 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.040 1.300 19221 2440 1 3 . 1 1 75 75 LEU H H 75 8.210 8.210 8.594 -0.384 19221 2441 1 3 . 1 1 76 76 ASN N N 76 117.960 117.960 117.760 0.200 19221 2442 1 3 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.204 0.171 19221 2443 1 3 . 1 1 76 76 ASN C C 76 176.582 176.582 177.178 -0.596 19221 2444 1 3 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.196 0.764 19221 2445 1 3 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.801 1.149 19221 2446 1 3 . 1 1 76 76 ASN H H 76 8.363 8.363 8.245 0.118 19221 2447 1 3 . 1 1 77 77 ALA N N 77 121.740 121.740 122.334 -0.594 19221 2448 1 3 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.037 0.130 19221 2449 1 3 . 1 1 77 77 ALA C C 77 179.988 179.988 179.913 0.075 19221 2450 1 3 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.991 0.569 19221 2451 1 3 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.300 -0.970 19221 2452 1 3 . 1 1 77 77 ALA H H 77 8.385 8.385 8.067 0.318 19221 2453 1 3 . 1 1 78 78 LEU N N 78 116.550 116.550 118.457 -1.907 19221 2454 1 3 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.812 -0.159 19221 2455 1 3 . 1 1 78 78 LEU C C 78 177.576 177.576 179.680 -2.104 19221 2456 1 3 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.968 1.016 19221 2457 1 3 . 1 1 78 78 LEU CB C 78 42.010 42.010 42.139 -0.129 19221 2458 1 3 . 1 1 78 78 LEU H H 78 7.965 7.965 8.498 -0.533 19221 2459 1 3 . 1 1 79 79 THR N N 79 113.220 113.220 115.025 -1.805 19221 2460 1 3 . 1 1 79 79 THR HA H 79 3.807 3.807 4.043 -0.236 19221 2461 1 3 . 1 1 79 79 THR C C 79 176.163 176.163 175.764 0.399 19221 2462 1 3 . 1 1 79 79 THR CA C 79 66.980 66.980 66.555 0.425 19221 2463 1 3 . 1 1 79 79 THR CB C 79 69.240 69.240 68.940 0.300 19221 2464 1 3 . 1 1 79 79 THR H H 79 7.565 7.565 8.363 -0.798 19221 2465 1 3 . 1 1 80 80 VAL N N 80 110.800 110.800 112.735 -1.935 19221 2466 1 3 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.435 0.074 19221 2467 1 3 . 1 1 80 80 VAL C C 80 176.751 176.751 176.186 0.565 19221 2468 1 3 . 1 1 80 80 VAL CA C 80 60.890 60.890 61.014 -0.124 19221 2469 1 3 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.010 0.995 19221 2470 1 3 . 1 1 80 80 VAL H H 80 7.792 7.792 7.470 0.322 19221 2471 1 3 . 1 1 81 81 GLY N N 81 112.910 112.910 109.710 3.200 19221 2472 1 3 . 1 1 81 81 GLY C C 81 173.874 173.874 174.614 -0.740 19221 2473 1 3 . 1 1 81 81 GLY CA C 81 47.280 47.280 46.116 1.164 19221 2474 1 3 . 1 1 81 81 GLY H H 81 7.506 7.506 7.397 0.109 19221 2475 1 3 . 1 1 82 82 ASP N N 82 119.112 119.112 120.327 -1.215 19221 2476 1 3 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.835 0.005 19221 2477 1 3 . 1 1 82 82 ASP C C 82 175.706 175.706 175.677 0.029 19221 2478 1 3 . 1 1 82 82 ASP CA C 82 51.920 51.920 52.052 -0.132 19221 2479 1 3 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.486 0.464 19221 2480 1 3 . 1 1 82 82 ASP H H 82 8.254 8.254 8.115 0.139 19221 2481 1 3 . 1 1 83 83 PHE N N 83 123.870 123.870 124.805 -0.935 19221 2482 1 3 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.122 -0.294 19221 2483 1 3 . 1 1 83 83 PHE C C 83 177.950 177.950 177.062 0.888 19221 2484 1 3 . 1 1 83 83 PHE CA C 83 62.570 62.570 62.492 0.078 19221 2485 1 3 . 1 1 83 83 PHE CB C 83 39.120 39.120 39.501 -0.381 19221 2486 1 3 . 1 1 83 83 PHE H H 83 8.025 8.025 8.048 -0.023 19221 2487 1 3 . 1 1 84 84 ASP N N 84 119.583 119.583 119.605 -0.022 19221 2488 1 3 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.519 0.003 19221 2489 1 3 . 1 1 84 84 ASP C C 84 179.005 179.005 178.728 0.277 19221 2490 1 3 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.837 -0.177 19221 2491 1 3 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.931 -0.371 19221 2492 1 3 . 1 1 84 84 ASP H H 84 8.464 8.464 8.280 0.184 19221 2493 1 3 . 1 1 85 85 LYS N N 85 122.200 122.200 119.991 2.209 19221 2494 1 3 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.124 -0.032 19221 2495 1 3 . 1 1 85 85 LYS C C 85 178.580 178.580 179.079 -0.499 19221 2496 1 3 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.678 -0.428 19221 2497 1 3 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.245 0.065 19221 2498 1 3 . 1 1 85 85 LYS H H 85 8.009 8.009 8.312 -0.303 19221 2499 1 3 . 1 1 86 86 PHE N N 86 118.590 118.590 121.488 -2.898 19221 2500 1 3 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.066 -0.230 19221 2501 1 3 . 1 1 86 86 PHE C C 86 175.649 175.649 176.661 -1.012 19221 2502 1 3 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.650 0.760 19221 2503 1 3 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.814 1.266 19221 2504 1 3 . 1 1 86 86 PHE H H 86 8.331 8.331 8.855 -0.524 19221 2505 1 3 . 1 1 87 87 ASP N N 87 117.790 117.790 119.092 -1.302 19221 2506 1 3 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.037 0.161 19221 2507 1 3 . 1 1 87 87 ASP C C 87 178.542 178.542 178.610 -0.068 19221 2508 1 3 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.453 0.388 19221 2509 1 3 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.570 1.320 19221 2510 1 3 . 1 1 87 87 ASP H H 87 8.560 8.560 8.620 -0.060 19221 2511 1 3 . 1 1 88 88 SER N N 88 112.940 112.940 115.858 -2.918 19221 2512 1 3 . 1 1 88 88 SER HA H 88 4.153 4.153 4.235 -0.082 19221 2513 1 3 . 1 1 88 88 SER C C 88 176.823 176.823 175.828 0.995 19221 2514 1 3 . 1 1 88 88 SER CA C 88 61.590 61.590 62.005 -0.415 19221 2515 1 3 . 1 1 88 88 SER CB C 88 63.085 63.085 63.298 -0.213 19221 2516 1 3 . 1 1 88 88 SER H H 88 7.757 7.757 8.117 -0.360 19221 2517 1 3 . 1 1 89 89 LEU N N 89 121.710 121.710 120.151 1.559 19221 2518 1 3 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.200 -0.032 19221 2519 1 3 . 1 1 89 89 LEU C C 89 180.006 180.006 178.042 1.964 19221 2520 1 3 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.563 0.267 19221 2521 1 3 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.234 1.146 19221 2522 1 3 . 1 1 89 89 LEU H H 89 8.173 8.173 7.414 0.759 19221 2523 1 3 . 1 1 90 90 ILE N N 90 119.830 119.830 120.340 -0.510 19221 2524 1 3 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.428 0.117 19221 2525 1 3 . 1 1 90 90 ILE C C 90 177.083 177.083 178.524 -1.441 19221 2526 1 3 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.434 -1.524 19221 2527 1 3 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.406 -0.326 19221 2528 1 3 . 1 1 90 90 ILE H H 90 8.424 8.424 8.414 0.010 19221 2529 1 3 . 1 1 91 91 LYS N N 91 117.980 117.980 118.149 -0.169 19221 2530 1 3 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.936 -0.035 19221 2531 1 3 . 1 1 91 91 LYS C C 91 178.803 178.803 178.013 0.790 19221 2532 1 3 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.227 0.283 19221 2533 1 3 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.451 0.309 19221 2534 1 3 . 1 1 91 91 LYS H H 91 7.569 7.569 8.089 -0.520 19221 2535 1 3 . 1 1 92 92 VAL N N 92 115.450 115.450 117.685 -2.235 19221 2536 1 3 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.960 -0.032 19221 2537 1 3 . 1 1 92 92 VAL C C 92 177.767 177.767 177.662 0.105 19221 2538 1 3 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.123 -0.572 19221 2539 1 3 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.887 -0.097 19221 2540 1 3 . 1 1 92 92 VAL H H 92 7.432 7.432 7.621 -0.189 19221 2541 1 3 . 1 1 93 93 GLN N N 93 117.250 117.250 119.284 -2.034 19221 2542 1 3 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.906 0.091 19221 2543 1 3 . 1 1 93 93 GLN C C 93 178.756 178.756 178.358 0.398 19221 2544 1 3 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.103 -0.543 19221 2545 1 3 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.474 0.196 19221 2546 1 3 . 1 1 93 93 GLN H H 93 8.127 8.127 8.408 -0.281 19221 2547 1 3 . 1 1 94 94 ILE N N 94 118.013 118.013 118.761 -0.748 19221 2548 1 3 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.798 -0.158 19221 2549 1 3 . 1 1 94 94 ILE C C 94 176.252 176.252 178.695 -2.443 19221 2550 1 3 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.137 1.843 19221 2551 1 3 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.971 0.159 19221 2552 1 3 . 1 1 94 94 ILE H H 94 8.390 8.390 7.455 0.935 19221 2553 1 3 . 1 1 95 95 SER N N 95 112.220 112.220 116.183 -3.963 19221 2554 1 3 . 1 1 95 95 SER HA H 95 4.158 4.158 4.128 0.030 19221 2555 1 3 . 1 1 95 95 SER C C 95 174.893 174.893 175.620 -0.727 19221 2556 1 3 . 1 1 95 95 SER CA C 95 59.890 59.890 61.145 -1.255 19221 2557 1 3 . 1 1 95 95 SER CB C 95 63.170 63.170 62.839 0.331 19221 2558 1 3 . 1 1 95 95 SER H H 95 7.227 7.227 8.278 -1.051 19221 2559 1 3 . 1 1 96 96 LYS N N 96 119.000 119.000 118.602 0.398 19221 2560 1 3 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.182 0.143 19221 2561 1 3 . 1 1 96 96 LYS C C 96 175.903 175.903 176.053 -0.150 19221 2562 1 3 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.985 -0.385 19221 2563 1 3 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.068 0.872 19221 2564 1 3 . 1 1 96 96 LYS H H 96 7.250 7.250 7.313 -0.063 19221 2565 1 3 . 1 1 97 97 ILE N N 97 120.530 120.530 121.151 -0.621 19221 2566 1 3 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.558 0.041 19221 2567 1 3 . 1 1 97 97 ILE C C 97 173.784 173.784 174.148 -0.364 19221 2568 1 3 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.969 -0.557 19221 2569 1 3 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.008 -2.448 19221 2570 1 3 . 1 1 97 97 ILE H H 97 7.713 7.713 7.674 0.039 19221 2571 1 3 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.259 0.034 19221 2572 1 3 . 1 1 98 98 PRO C C 98 178.885 178.885 178.255 0.630 19221 2573 1 3 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.957 0.363 19221 2574 1 3 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.114 0.156 19221 2575 1 3 . 1 1 99 99 ILE N N 99 115.600 115.600 118.770 -3.170 19221 2576 1 3 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.836 0.456 19221 2577 1 3 . 1 1 99 99 ILE C C 99 177.025 177.025 177.442 -0.417 19221 2578 1 3 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.323 -0.543 19221 2579 1 3 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.857 0.223 19221 2580 1 3 . 1 1 99 99 ILE H H 99 8.552 8.552 8.153 0.399 19221 2581 1 3 . 1 1 100 100 LEU N N 100 119.430 119.430 118.842 0.588 19221 2582 1 3 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.103 0.120 19221 2583 1 3 . 1 1 100 100 LEU C C 100 178.223 178.223 178.301 -0.078 19221 2584 1 3 . 1 1 100 100 LEU CA C 100 57.110 57.110 56.895 0.215 19221 2585 1 3 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.402 0.818 19221 2586 1 3 . 1 1 100 100 LEU H H 100 7.404 7.404 7.896 -0.492 19221 2587 1 3 . 1 1 101 101 ALA N N 101 121.390 121.390 120.355 1.035 19221 2588 1 3 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.991 -0.074 19221 2589 1 3 . 1 1 101 101 ALA C C 101 181.827 181.827 180.215 1.612 19221 2590 1 3 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.589 0.821 19221 2591 1 3 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.550 -0.600 19221 2592 1 3 . 1 1 101 101 ALA H H 101 7.839 7.839 8.061 -0.222 19221 2593 1 3 . 1 1 102 102 GLN N N 102 115.470 115.470 116.475 -1.005 19221 2594 1 3 . 1 1 102 102 GLN HA H 102 4.077 4.077 3.989 0.088 19221 2595 1 3 . 1 1 102 102 GLN C C 102 176.572 176.572 176.469 0.103 19221 2596 1 3 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.857 -0.277 19221 2597 1 3 . 1 1 102 102 GLN CB C 102 28.630 28.630 28.965 -0.335 19221 2598 1 3 . 1 1 102 102 GLN H H 102 8.276 8.276 7.708 0.568 19221 2599 1 3 . 1 1 103 103 HIS N N 103 115.980 115.980 113.978 2.002 19221 2600 1 3 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.875 0.249 19221 2601 1 3 . 1 1 103 103 HIS C C 103 175.326 175.326 175.180 0.146 19221 2602 1 3 . 1 1 103 103 HIS CA C 103 56.350 56.350 55.230 1.121 19221 2603 1 3 . 1 1 103 103 HIS CB C 103 30.990 30.990 28.864 2.126 19221 2604 1 3 . 1 1 103 103 HIS H H 103 7.450 7.450 7.366 0.084 19221 2605 1 3 . 1 1 104 104 GLU N N 104 122.920 122.920 122.103 0.817 19221 2606 1 3 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.998 -0.185 19221 2607 1 3 . 1 1 104 104 GLU C C 104 177.960 177.960 178.003 -0.043 19221 2608 1 3 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.802 0.708 19221 2609 1 3 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.718 -0.218 19221 2610 1 3 . 1 1 104 104 GLU H H 104 7.332 7.332 7.617 -0.285 19221 2611 1 3 . 1 1 105 105 SER N N 105 113.180 113.180 113.886 -0.706 19221 2612 1 3 . 1 1 105 105 SER HA H 105 4.234 4.234 4.262 -0.028 19221 2613 1 3 . 1 1 105 105 SER C C 105 177.512 177.512 176.079 1.433 19221 2614 1 3 . 1 1 105 105 SER CA C 105 62.100 62.100 61.704 0.396 19221 2615 1 3 . 1 1 105 105 SER CB C 105 62.100 62.100 62.565 -0.465 19221 2616 1 3 . 1 1 105 105 SER H H 105 8.931 8.931 8.701 0.230 19221 2617 1 3 . 1 1 106 106 PHE N N 106 123.770 123.770 124.229 -0.459 19221 2618 1 3 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.440 -0.013 19221 2619 1 3 . 1 1 106 106 PHE C C 106 178.007 178.007 176.938 1.069 19221 2620 1 3 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.011 0.378 19221 2621 1 3 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.260 -0.130 19221 2622 1 3 . 1 1 106 106 PHE H H 106 8.040 8.040 8.034 0.006 19221 2623 1 3 . 1 1 107 107 LEU N N 107 121.397 121.397 120.218 1.179 19221 2624 1 3 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.044 -0.038 19221 2625 1 3 . 1 1 107 107 LEU C C 107 178.165 178.165 179.073 -0.908 19221 2626 1 3 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.227 0.053 19221 2627 1 3 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.507 0.662 19221 2628 1 3 . 1 1 107 107 LEU H H 107 8.481 8.481 8.991 -0.510 19221 2629 1 3 . 1 1 108 108 ARG N N 108 117.450 117.450 119.775 -2.325 19221 2630 1 3 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.910 0.229 19221 2631 1 3 . 1 1 108 108 ARG C C 108 178.343 178.343 178.686 -0.343 19221 2632 1 3 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.020 -0.440 19221 2633 1 3 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.076 -0.906 19221 2634 1 3 . 1 1 108 108 ARG H H 108 8.480 8.480 8.545 -0.065 19221 2635 1 3 . 1 1 109 109 GLN N N 109 119.098 119.098 118.747 0.351 19221 2636 1 3 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.030 0.045 19221 2637 1 3 . 1 1 109 109 GLN CA C 109 59.295 59.295 58.924 0.371 19221 2638 1 3 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.439 1.069 19221 2639 1 3 . 1 1 109 109 GLN H H 109 7.886 7.886 8.298 -0.412 19221 2640 1 3 . 1 1 110 110 LYS N N 110 121.110 121.110 120.284 0.826 19221 2641 1 3 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.978 0.010 19221 2642 1 3 . 1 1 110 110 LYS C C 110 178.368 178.368 178.742 -0.374 19221 2643 1 3 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.419 3.131 19221 2644 1 3 . 1 1 110 110 LYS CB C 110 30.260 30.260 32.089 -1.829 19221 2645 1 3 . 1 1 110 110 LYS H H 110 8.356 8.356 7.955 0.401 19221 2646 1 3 . 1 1 111 111 ILE N N 111 116.870 116.870 121.452 -4.582 19221 2647 1 3 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.683 0.215 19221 2648 1 3 . 1 1 111 111 ILE C C 111 178.036 178.036 177.851 0.185 19221 2649 1 3 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.098 1.003 19221 2650 1 3 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.324 -0.409 19221 2651 1 3 . 1 1 111 111 ILE H H 111 7.848 7.848 8.202 -0.354 19221 2652 1 3 . 1 1 112 112 CYS N N 112 123.990 123.990 119.684 4.306 19221 2653 1 3 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.189 -0.108 19221 2654 1 3 . 1 1 112 112 CYS C C 112 176.276 176.276 176.910 -0.634 19221 2655 1 3 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.442 0.958 19221 2656 1 3 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.116 0.254 19221 2657 1 3 . 1 1 112 112 CYS H H 112 7.473 7.473 8.184 -0.711 19221 2658 1 3 . 1 1 113 113 LEU N N 113 120.218 120.218 120.695 -0.477 19221 2659 1 3 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.731 0.112 19221 2660 1 3 . 1 1 113 113 LEU C C 113 178.584 178.584 178.967 -0.383 19221 2661 1 3 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.392 0.128 19221 2662 1 3 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.471 1.079 19221 2663 1 3 . 1 1 113 113 LEU H H 113 8.443 8.443 8.548 -0.105 19221 2664 1 3 . 1 1 114 114 MET N N 114 116.910 116.910 117.862 -0.952 19221 2665 1 3 . 1 1 114 114 MET HA H 114 3.952 3.952 4.202 -0.250 19221 2666 1 3 . 1 1 114 114 MET C C 114 178.724 178.724 178.314 0.410 19221 2667 1 3 . 1 1 114 114 MET CA C 114 60.070 60.070 59.062 1.008 19221 2668 1 3 . 1 1 114 114 MET CB C 114 32.910 32.910 32.701 0.209 19221 2669 1 3 . 1 1 114 114 MET H H 114 8.840 8.840 8.036 0.804 19221 2670 1 3 . 1 1 115 115 THR N N 115 115.670 115.670 117.856 -2.186 19221 2671 1 3 . 1 1 115 115 THR HA H 115 4.083 4.083 3.949 0.134 19221 2672 1 3 . 1 1 115 115 THR C C 115 177.434 177.434 176.556 0.878 19221 2673 1 3 . 1 1 115 115 THR CA C 115 66.740 66.740 67.013 -0.273 19221 2674 1 3 . 1 1 115 115 THR CB C 115 68.630 68.630 68.773 -0.143 19221 2675 1 3 . 1 1 115 115 THR H H 115 8.095 8.095 8.552 -0.457 19221 2676 1 3 . 1 1 116 116 LEU N N 116 125.420 125.420 123.520 1.900 19221 2677 1 3 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.101 -0.246 19221 2678 1 3 . 1 1 116 116 LEU C C 116 176.903 176.903 177.908 -1.005 19221 2679 1 3 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.160 0.776 19221 2680 1 3 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.375 0.301 19221 2681 1 3 . 1 1 116 116 LEU H H 116 8.164 8.164 7.921 0.243 19221 2682 1 3 . 1 1 117 117 ILE N N 117 114.740 114.740 119.582 -4.842 19221 2683 1 3 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.520 0.099 19221 2684 1 3 . 1 1 117 117 ILE C C 117 177.806 177.806 177.814 -0.008 19221 2685 1 3 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.857 -1.267 19221 2686 1 3 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.611 -1.251 19221 2687 1 3 . 1 1 117 117 ILE H H 117 8.032 8.032 7.795 0.237 19221 2688 1 3 . 1 1 118 118 GLU N N 118 121.200 121.200 120.723 0.477 19221 2689 1 3 . 1 1 118 118 GLU HA H 118 4.200 4.200 3.927 0.273 19221 2690 1 3 . 1 1 118 118 GLU C C 118 178.314 178.314 178.958 -0.644 19221 2691 1 3 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.178 -0.198 19221 2692 1 3 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.634 -0.254 19221 2693 1 3 . 1 1 118 118 GLU H H 118 8.176 8.176 8.614 -0.438 19221 2694 1 3 . 1 1 119 119 THR N N 119 114.460 114.460 117.371 -2.911 19221 2695 1 3 . 1 1 119 119 THR HA H 119 3.917 3.917 3.991 -0.074 19221 2696 1 3 . 1 1 119 119 THR C C 119 175.551 175.551 177.061 -1.510 19221 2697 1 3 . 1 1 119 119 THR CA C 119 67.470 67.470 66.848 0.622 19221 2698 1 3 . 1 1 119 119 THR CB C 119 69.110 69.110 68.840 0.270 19221 2699 1 3 . 1 1 119 119 THR H H 119 8.008 8.008 8.209 -0.201 19221 2700 1 3 . 1 1 120 120 VAL N N 120 118.050 118.050 121.675 -3.625 19221 2701 1 3 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.681 -0.061 19221 2702 1 3 . 1 1 120 120 VAL C C 120 178.213 178.213 177.553 0.660 19221 2703 1 3 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.984 -0.964 19221 2704 1 3 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.447 0.383 19221 2705 1 3 . 1 1 120 120 VAL H H 120 7.800 7.800 8.157 -0.357 19221 2706 1 3 . 1 1 121 121 PHE N N 121 118.360 118.360 120.625 -2.265 19221 2707 1 3 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.173 0.047 19221 2708 1 3 . 1 1 121 121 PHE C C 121 178.739 178.739 178.099 0.640 19221 2709 1 3 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.795 -0.255 19221 2710 1 3 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.305 0.825 19221 2711 1 3 . 1 1 121 121 PHE H H 121 8.370 8.370 8.427 -0.057 19221 2712 1 3 . 1 1 122 122 VAL N N 122 118.710 118.710 119.742 -1.032 19221 2713 1 3 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.597 0.028 19221 2714 1 3 . 1 1 122 122 VAL C C 122 178.247 178.247 177.251 0.996 19221 2715 1 3 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.621 0.229 19221 2716 1 3 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.993 -0.112 19221 2717 1 3 . 1 1 122 122 VAL H H 122 8.959 8.959 8.624 0.335 19221 2718 1 3 . 1 1 123 123 LYS N N 123 115.960 115.960 116.527 -0.567 19221 2719 1 3 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.271 0.045 19221 2720 1 3 . 1 1 123 123 LYS C C 123 176.148 176.148 175.711 0.437 19221 2721 1 3 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.768 0.762 19221 2722 1 3 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.125 -0.095 19221 2723 1 3 . 1 1 123 123 LYS H H 123 7.688 7.688 7.767 -0.079 19221 2724 1 3 . 1 1 124 124 ASN N N 124 117.440 117.440 117.046 0.394 19221 2725 1 3 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.347 -0.003 19221 2726 1 3 . 1 1 124 124 ASN C C 124 174.205 174.205 174.907 -0.702 19221 2727 1 3 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.926 -0.006 19221 2728 1 3 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.003 0.067 19221 2729 1 3 . 1 1 124 124 ASN H H 124 7.560 7.560 7.590 -0.030 19221 2730 1 3 . 1 1 125 125 ILE N N 125 116.780 116.780 116.214 0.566 19221 2731 1 3 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.095 0.015 19221 2732 1 3 . 1 1 125 125 ILE C C 125 175.909 175.909 175.493 0.416 19221 2733 1 3 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.541 0.029 19221 2734 1 3 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.350 1.620 19221 2735 1 3 . 1 1 125 125 ILE H H 125 7.658 7.658 8.028 -0.370 19221 2736 1 3 . 1 1 126 126 ARG N N 126 122.400 122.400 119.991 2.409 19221 2737 1 3 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.533 0.098 19221 2738 1 3 . 1 1 126 126 ARG C C 126 175.296 175.296 175.496 -0.200 19221 2739 1 3 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.497 -0.287 19221 2740 1 3 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.688 -0.471 19221 2741 1 3 . 1 1 126 126 ARG H H 126 8.658 8.658 8.495 0.163 19221 2742 1 3 . 1 1 127 127 MET N N 127 119.870 119.870 119.632 0.238 19221 2743 1 3 . 1 1 127 127 MET HA H 127 5.412 5.412 5.242 0.170 19221 2744 1 3 . 1 1 127 127 MET C C 127 174.169 174.169 174.163 0.006 19221 2745 1 3 . 1 1 127 127 MET CA C 127 55.130 55.130 54.530 0.600 19221 2746 1 3 . 1 1 127 127 MET CB C 127 35.300 35.300 35.200 0.100 19221 2747 1 3 . 1 1 127 127 MET H H 127 7.487 7.487 7.776 -0.289 19221 2748 1 3 . 1 1 128 128 LEU N N 128 124.940 124.940 125.429 -0.489 19221 2749 1 3 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.976 -0.086 19221 2750 1 3 . 1 1 128 128 LEU C C 128 174.857 174.857 174.826 0.031 19221 2751 1 3 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.359 0.810 19221 2752 1 3 . 1 1 128 128 LEU CB C 128 46.090 46.090 46.919 -0.829 19221 2753 1 3 . 1 1 128 128 LEU H H 128 8.961 8.961 8.976 -0.015 19221 2754 1 3 . 1 1 129 129 SER N N 129 119.080 119.080 114.858 4.222 19221 2755 1 3 . 1 1 129 129 SER HA H 129 5.503 5.503 5.064 0.439 19221 2756 1 3 . 1 1 129 129 SER C C 129 176.225 176.225 175.596 0.629 19221 2757 1 3 . 1 1 129 129 SER CA C 129 56.630 56.630 57.071 -0.440 19221 2758 1 3 . 1 1 129 129 SER CB C 129 66.030 66.030 65.539 0.491 19221 2759 1 3 . 1 1 129 129 SER H H 129 9.512 9.512 8.228 1.284 19221 2760 1 3 . 1 1 130 130 PHE N N 130 120.530 120.530 123.334 -2.804 19221 2761 1 3 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.137 0.303 19221 2762 1 3 . 1 1 130 130 PHE C C 130 179.046 179.046 177.497 1.549 19221 2763 1 3 . 1 1 130 130 PHE CA C 130 58.730 58.730 60.004 -1.274 19221 2764 1 3 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.166 -1.646 19221 2765 1 3 . 1 1 130 130 PHE H H 130 8.712 8.712 9.308 -0.596 19221 2766 1 3 . 1 1 131 131 GLU N N 131 121.180 121.180 120.289 0.891 19221 2767 1 3 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.797 0.228 19221 2768 1 3 . 1 1 131 131 GLU C C 131 178.039 178.039 178.113 -0.074 19221 2769 1 3 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.450 -0.580 19221 2770 1 3 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.315 0.155 19221 2771 1 3 . 1 1 131 131 GLU H H 131 8.961 8.961 8.724 0.237 19221 2772 1 3 . 1 1 132 132 ASP N N 132 120.930 120.930 119.243 1.687 19221 2773 1 3 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.490 -0.093 19221 2774 1 3 . 1 1 132 132 ASP C C 132 180.369 180.369 178.701 1.668 19221 2775 1 3 . 1 1 132 132 ASP CA C 132 57.690 57.690 56.831 0.859 19221 2776 1 3 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.663 0.077 19221 2777 1 3 . 1 1 132 132 ASP H H 132 8.369 8.369 7.586 0.783 19221 2778 1 3 . 1 1 133 133 ILE N N 133 120.360 120.360 120.240 0.120 19221 2779 1 3 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.636 -0.127 19221 2780 1 3 . 1 1 133 133 ILE C C 133 178.895 178.895 178.028 0.867 19221 2781 1 3 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.704 0.576 19221 2782 1 3 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.829 -0.299 19221 2783 1 3 . 1 1 133 133 ILE H H 133 8.062 8.062 8.295 -0.233 19221 2784 1 3 . 1 1 134 134 SER N N 134 120.050 120.050 117.194 2.856 19221 2785 1 3 . 1 1 134 134 SER HA H 134 4.074 4.074 4.210 -0.136 19221 2786 1 3 . 1 1 134 134 SER C C 134 176.934 176.934 176.180 0.754 19221 2787 1 3 . 1 1 134 134 SER CA C 134 61.240 61.240 61.647 -0.407 19221 2788 1 3 . 1 1 134 134 SER CB C 134 63.400 63.400 62.923 0.477 19221 2789 1 3 . 1 1 134 134 SER H H 134 8.823 8.823 8.426 0.397 19221 2790 1 3 . 1 1 135 135 LYS N N 135 119.060 119.060 120.877 -1.817 19221 2791 1 3 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.957 -0.027 19221 2792 1 3 . 1 1 135 135 LYS C C 135 178.986 178.986 178.668 0.318 19221 2793 1 3 . 1 1 135 135 LYS CA C 135 59.270 59.270 59.119 0.151 19221 2794 1 3 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.384 0.086 19221 2795 1 3 . 1 1 135 135 LYS H H 135 8.258 8.258 8.085 0.173 19221 2796 1 3 . 1 1 136 136 ALA N N 136 118.350 118.350 118.918 -0.568 19221 2797 1 3 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.158 0.044 19221 2798 1 3 . 1 1 136 136 ALA C C 136 178.653 178.653 177.503 1.150 19221 2799 1 3 . 1 1 136 136 ALA CA C 136 54.480 54.480 53.819 0.661 19221 2800 1 3 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.055 -0.214 19221 2801 1 3 . 1 1 136 136 ALA H H 136 7.538 7.538 7.866 -0.328 19221 2802 1 3 . 1 1 137 137 THR N N 137 101.770 101.770 107.383 -5.613 19221 2803 1 3 . 1 1 137 137 THR HA H 137 4.274 4.274 4.310 -0.036 19221 2804 1 3 . 1 1 137 137 THR C C 137 172.932 172.932 174.415 -1.483 19221 2805 1 3 . 1 1 137 137 THR CA C 137 61.990 61.990 62.126 -0.136 19221 2806 1 3 . 1 1 137 137 THR CB C 137 71.200 71.200 71.110 0.090 19221 2807 1 3 . 1 1 137 137 THR H H 137 7.777 7.777 7.348 0.429 19221 2808 1 3 . 1 1 138 138 HIS N N 138 113.660 113.660 120.467 -6.807 19221 2809 1 3 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.176 -0.217 19221 2810 1 3 . 1 1 138 138 HIS C C 138 173.700 173.700 173.458 0.242 19221 2811 1 3 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.928 -1.598 19221 2812 1 3 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.961 -2.551 19221 2813 1 3 . 1 1 138 138 HIS H H 138 7.567 7.567 8.503 -0.936 19221 2814 1 3 . 1 1 139 139 LEU N N 139 120.070 120.070 121.468 -1.398 19221 2815 1 3 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.723 0.120 19221 2816 1 3 . 1 1 139 139 LEU C C 139 174.376 174.376 175.303 -0.927 19221 2817 1 3 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.056 -0.186 19221 2818 1 3 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.605 2.145 19221 2819 1 3 . 1 1 139 139 LEU H H 139 7.513 7.513 7.477 0.036 19221 2820 1 3 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.522 -0.131 19221 2821 1 3 . 1 1 140 140 PRO C C 140 177.985 177.985 178.253 -0.268 19221 2822 1 3 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.431 -0.042 19221 2823 1 3 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.418 -0.348 19221 2824 1 3 . 1 1 141 141 LYS N N 141 123.930 123.930 121.222 2.708 19221 2825 1 3 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.787 0.032 19221 2826 1 3 . 1 1 141 141 LYS C C 141 178.083 178.083 177.964 0.119 19221 2827 1 3 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.339 0.491 19221 2828 1 3 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.047 -0.157 19221 2829 1 3 . 1 1 141 141 LYS H H 141 8.950 8.950 8.697 0.253 19221 2830 1 3 . 1 1 142 142 ASP N N 142 114.510 114.510 115.081 -0.571 19221 2831 1 3 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.399 0.096 19221 2832 1 3 . 1 1 142 142 ASP C C 142 176.656 176.656 176.889 -0.233 19221 2833 1 3 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.259 -0.669 19221 2834 1 3 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.699 -0.959 19221 2835 1 3 . 1 1 142 142 ASP H H 142 8.491 8.491 8.425 0.066 19221 2836 1 3 . 1 1 143 143 ASN N N 143 116.400 116.400 115.173 1.227 19221 2837 1 3 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.713 0.353 19221 2838 1 3 . 1 1 143 143 ASN C C 143 175.954 175.954 176.385 -0.431 19221 2839 1 3 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.540 -0.320 19221 2840 1 3 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.707 0.243 19221 2841 1 3 . 1 1 143 143 ASN H H 143 8.191 8.191 7.830 0.361 19221 2842 1 3 . 1 1 144 144 VAL N N 144 120.490 120.490 121.360 -0.870 19221 2843 1 3 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.358 -0.035 19221 2844 1 3 . 1 1 144 144 VAL C C 144 176.423 176.423 176.494 -0.071 19221 2845 1 3 . 1 1 144 144 VAL CA C 144 66.990 66.990 66.996 -0.006 19221 2846 1 3 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.649 -0.209 19221 2847 1 3 . 1 1 144 144 VAL H H 144 7.472 7.472 8.029 -0.557 19221 2848 1 3 . 1 1 145 145 GLU N N 145 122.340 122.340 118.055 4.285 19221 2849 1 3 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.467 -0.206 19221 2850 1 3 . 1 1 145 145 GLU C C 145 177.853 177.853 178.362 -0.509 19221 2851 1 3 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.211 1.619 19221 2852 1 3 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.476 0.334 19221 2853 1 3 . 1 1 145 145 GLU H H 145 9.141 9.141 7.699 1.442 19221 2854 1 3 . 1 1 146 146 HIS N N 146 116.970 116.970 119.295 -2.325 19221 2855 1 3 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.388 -0.214 19221 2856 1 3 . 1 1 146 146 HIS C C 146 177.947 177.947 177.751 0.196 19221 2857 1 3 . 1 1 146 146 HIS CA C 146 59.540 59.540 57.168 2.372 19221 2858 1 3 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.439 1.011 19221 2859 1 3 . 1 1 146 146 HIS H H 146 8.162 8.162 7.307 0.855 19221 2860 1 3 . 1 1 147 147 LEU N N 147 120.670 120.670 121.158 -0.488 19221 2861 1 3 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.083 -0.123 19221 2862 1 3 . 1 1 147 147 LEU C C 147 178.427 178.427 178.736 -0.309 19221 2863 1 3 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.187 0.083 19221 2864 1 3 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.505 0.231 19221 2865 1 3 . 1 1 147 147 LEU H H 147 7.336 7.336 7.824 -0.488 19221 2866 1 3 . 1 1 148 148 VAL N N 148 118.060 118.060 115.799 2.261 19221 2867 1 3 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.689 -0.466 19221 2868 1 3 . 1 1 148 148 VAL C C 148 177.801 177.801 178.189 -0.388 19221 2869 1 3 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.586 1.375 19221 2870 1 3 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.633 0.377 19221 2871 1 3 . 1 1 148 148 VAL H H 148 8.172 8.172 7.699 0.473 19221 2872 1 3 . 1 1 149 149 MET N N 149 117.770 117.770 120.300 -2.530 19221 2873 1 3 . 1 1 149 149 MET HA H 149 4.123 4.123 4.050 0.073 19221 2874 1 3 . 1 1 149 149 MET C C 149 179.823 179.823 178.638 1.185 19221 2875 1 3 . 1 1 149 149 MET CA C 149 58.630 58.630 59.504 -0.874 19221 2876 1 3 . 1 1 149 149 MET CB C 149 31.496 31.496 32.015 -0.519 19221 2877 1 3 . 1 1 149 149 MET H H 149 8.585 8.585 8.605 -0.020 19221 2878 1 3 . 1 1 150 150 ARG N N 150 121.900 121.900 119.830 2.070 19221 2879 1 3 . 1 1 150 150 ARG HA H 150 4.094 4.094 3.991 0.103 19221 2880 1 3 . 1 1 150 150 ARG C C 150 177.928 177.928 178.166 -0.238 19221 2881 1 3 . 1 1 150 150 ARG CA C 150 58.150 58.150 58.985 -0.835 19221 2882 1 3 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.645 -0.895 19221 2883 1 3 . 1 1 150 150 ARG H H 150 8.160 8.160 8.464 -0.304 19221 2884 1 3 . 1 1 151 151 ALA N N 151 121.710 121.710 122.345 -0.635 19221 2885 1 3 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.858 -0.060 19221 2886 1 3 . 1 1 151 151 ALA C C 151 179.518 179.518 179.382 0.136 19221 2887 1 3 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.175 0.565 19221 2888 1 3 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.296 -0.406 19221 2889 1 3 . 1 1 151 151 ALA H H 151 8.165 8.165 7.637 0.528 19221 2890 1 3 . 1 1 152 152 ILE N N 152 118.590 118.590 118.015 0.575 19221 2891 1 3 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.731 0.651 19221 2892 1 3 . 1 1 152 152 ILE C C 152 181.439 181.439 178.436 3.003 19221 2893 1 3 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.587 -0.027 19221 2894 1 3 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.978 0.722 19221 2895 1 3 . 1 1 152 152 ILE H H 152 8.331 8.331 8.092 0.239 19221 2896 1 3 . 1 1 153 153 SER N N 153 120.250 120.250 115.632 4.618 19221 2897 1 3 . 1 1 153 153 SER HA H 153 4.279 4.279 4.196 0.083 19221 2898 1 3 . 1 1 153 153 SER C C 153 176.745 176.745 176.238 0.507 19221 2899 1 3 . 1 1 153 153 SER CA C 153 62.040 62.040 61.572 0.469 19221 2900 1 3 . 1 1 153 153 SER CB C 153 62.930 62.930 63.151 -0.221 19221 2901 1 3 . 1 1 153 153 SER H H 153 8.756 8.756 7.873 0.883 19221 2902 1 3 . 1 1 154 154 LEU N N 154 119.480 119.480 119.461 0.019 19221 2903 1 3 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.208 0.137 19221 2904 1 3 . 1 1 154 154 LEU C C 154 177.351 177.351 177.851 -0.500 19221 2905 1 3 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.755 -0.300 19221 2906 1 3 . 1 1 154 154 LEU CB C 154 44.000 44.000 42.131 1.869 19221 2907 1 3 . 1 1 154 154 LEU H H 154 8.129 8.129 8.332 -0.203 19221 2908 1 3 . 1 1 155 155 GLY N N 155 106.990 106.990 106.703 0.287 19221 2909 1 3 . 1 1 155 155 GLY C C 155 174.867 174.867 175.499 -0.632 19221 2910 1 3 . 1 1 155 155 GLY CA C 155 45.800 45.800 45.767 0.033 19221 2911 1 3 . 1 1 155 155 GLY H H 155 8.023 8.023 7.669 0.354 19221 2912 1 3 . 1 1 156 156 LEU N N 156 116.510 116.510 118.171 -1.661 19221 2913 1 3 . 1 1 156 156 LEU HA H 156 4.260 4.260 3.915 0.345 19221 2914 1 3 . 1 1 156 156 LEU C C 156 175.387 175.387 176.074 -0.687 19221 2915 1 3 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.505 -0.575 19221 2916 1 3 . 1 1 156 156 LEU CB C 156 43.220 43.220 41.770 1.450 19221 2917 1 3 . 1 1 156 156 LEU H H 156 8.101 8.101 7.753 0.348 19221 2918 1 3 . 1 1 157 157 LEU N N 157 112.790 112.790 111.099 1.691 19221 2919 1 3 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.072 -0.072 19221 2920 1 3 . 1 1 157 157 LEU C C 157 175.382 175.382 174.918 0.464 19221 2921 1 3 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.562 0.078 19221 2922 1 3 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.338 1.222 19221 2923 1 3 . 1 1 157 157 LEU H H 157 7.194 7.194 7.263 -0.069 19221 2924 1 3 . 1 1 158 158 LYS N N 158 121.010 121.010 120.693 0.317 19221 2925 1 3 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.837 -0.042 19221 2926 1 3 . 1 1 158 158 LYS C C 158 175.461 175.461 175.488 -0.027 19221 2927 1 3 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.554 0.506 19221 2928 1 3 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.063 2.127 19221 2929 1 3 . 1 1 158 158 LYS H H 158 9.056 9.056 8.864 0.192 19221 2930 1 3 . 1 1 159 159 GLY N N 159 109.800 109.800 111.245 -1.445 19221 2931 1 3 . 1 1 159 159 GLY C C 159 170.992 170.992 172.965 -1.973 19221 2932 1 3 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.322 0.818 19221 2933 1 3 . 1 1 159 159 GLY H H 159 8.287 8.287 8.097 0.190 19221 2934 1 3 . 1 1 160 160 SER N N 160 112.940 112.940 114.569 -1.629 19221 2935 1 3 . 1 1 160 160 SER HA H 160 4.780 4.780 4.731 0.049 19221 2936 1 3 . 1 1 160 160 SER C C 160 172.525 172.525 173.187 -0.662 19221 2937 1 3 . 1 1 160 160 SER CA C 160 56.840 56.840 57.398 -0.558 19221 2938 1 3 . 1 1 160 160 SER CB C 160 65.660 65.660 66.242 -0.582 19221 2939 1 3 . 1 1 160 160 SER H H 160 8.847 8.847 8.826 0.021 19221 2940 1 3 . 1 1 161 161 ILE N N 161 123.020 123.020 124.263 -1.243 19221 2941 1 3 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.202 0.204 19221 2942 1 3 . 1 1 161 161 ILE C C 161 174.457 174.457 175.992 -1.535 19221 2943 1 3 . 1 1 161 161 ILE CA C 161 61.419 61.419 60.633 0.786 19221 2944 1 3 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.324 1.904 19221 2945 1 3 . 1 1 161 161 ILE H H 161 8.867 8.867 8.792 0.075 19221 2946 1 3 . 1 1 162 162 ASP N N 162 128.130 128.130 130.689 -2.559 19221 2947 1 3 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.714 0.202 19221 2948 1 3 . 1 1 162 162 ASP C C 162 176.575 176.575 176.828 -0.253 19221 2949 1 3 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.307 -0.567 19221 2950 1 3 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.215 0.925 19221 2951 1 3 . 1 1 162 162 ASP H H 162 8.955 8.955 8.632 0.323 19221 2952 1 3 . 1 1 163 163 GLN N N 163 123.480 123.480 122.901 0.579 19221 2953 1 3 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.086 -0.233 19221 2954 1 3 . 1 1 163 163 GLN C C 163 177.627 177.627 178.031 -0.404 19221 2955 1 3 . 1 1 163 163 GLN CA C 163 59.210 59.210 59.046 0.164 19221 2956 1 3 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.578 0.342 19221 2957 1 3 . 1 1 163 163 GLN H H 163 8.982 8.982 7.951 1.031 19221 2958 1 3 . 1 1 164 164 VAL N N 164 119.220 119.220 120.011 -0.791 19221 2959 1 3 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.748 -0.065 19221 2960 1 3 . 1 1 164 164 VAL C C 164 177.519 177.519 177.427 0.092 19221 2961 1 3 . 1 1 164 164 VAL CA C 164 65.770 65.770 65.161 0.609 19221 2962 1 3 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.637 0.293 19221 2963 1 3 . 1 1 164 164 VAL H H 164 7.974 7.974 8.437 -0.463 19221 2964 1 3 . 1 1 165 165 ASN N N 165 114.430 114.430 114.275 0.155 19221 2965 1 3 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.811 -0.210 19221 2966 1 3 . 1 1 165 165 ASN C C 165 172.795 172.795 174.290 -1.495 19221 2967 1 3 . 1 1 165 165 ASN CA C 165 52.900 52.900 52.607 0.293 19221 2968 1 3 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.155 -0.325 19221 2969 1 3 . 1 1 165 165 ASN H H 165 7.502 7.502 7.606 -0.104 19221 2970 1 3 . 1 1 166 166 GLU N N 166 116.970 116.970 114.834 2.136 19221 2971 1 3 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.550 -0.536 19221 2972 1 3 . 1 1 166 166 GLU C C 166 174.562 174.562 173.516 1.046 19221 2973 1 3 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.533 -0.305 19221 2974 1 3 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.921 -0.105 19221 2975 1 3 . 1 1 166 166 GLU H H 166 7.268 7.268 7.619 -0.351 19221 2976 1 3 . 1 1 167 167 LEU N N 167 117.360 117.360 116.493 0.867 19221 2977 1 3 . 1 1 167 167 LEU HA H 167 4.998 4.998 4.927 0.071 19221 2978 1 3 . 1 1 167 167 LEU C C 167 175.659 175.659 175.373 0.286 19221 2979 1 3 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.557 0.113 19221 2980 1 3 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.915 0.395 19221 2981 1 3 . 1 1 167 167 LEU H H 167 7.699 7.699 7.499 0.200 19221 2982 1 3 . 1 1 168 168 VAL N N 168 125.350 125.350 117.772 7.578 19221 2983 1 3 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.794 0.045 19221 2984 1 3 . 1 1 168 168 VAL C C 168 174.792 174.792 174.765 0.027 19221 2985 1 3 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.919 0.211 19221 2986 1 3 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.137 -1.788 19221 2987 1 3 . 1 1 168 168 VAL H H 168 9.445 9.445 9.110 0.335 19221 2988 1 3 . 1 1 169 169 THR N N 169 123.020 123.020 121.891 1.129 19221 2989 1 3 . 1 1 169 169 THR HA H 169 4.869 4.869 5.148 -0.279 19221 2990 1 3 . 1 1 169 169 THR C C 169 173.876 173.876 173.636 0.240 19221 2991 1 3 . 1 1 169 169 THR CA C 169 61.580 61.580 61.970 -0.390 19221 2992 1 3 . 1 1 169 169 THR CB C 169 69.750 69.750 70.298 -0.548 19221 2993 1 3 . 1 1 169 169 THR H H 169 8.824 8.824 9.119 -0.295 19221 2994 1 3 . 1 1 170 170 ILE N N 170 126.700 126.700 126.884 -0.184 19221 2995 1 3 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.520 0.022 19221 2996 1 3 . 1 1 170 170 ILE C C 170 175.672 175.672 175.198 0.474 19221 2997 1 3 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.301 0.029 19221 2998 1 3 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.148 -0.538 19221 2999 1 3 . 1 1 170 170 ILE H H 170 8.911 8.911 8.693 0.218 19221 3000 1 3 . 1 1 171 171 SER N N 171 122.780 122.780 118.818 3.962 19221 3001 1 3 . 1 1 171 171 SER HA H 171 4.670 4.670 4.750 -0.080 19221 3002 1 3 . 1 1 171 171 SER C C 171 174.700 174.700 173.583 1.117 19221 3003 1 3 . 1 1 171 171 SER CA C 171 58.280 58.280 58.709 -0.429 19221 3004 1 3 . 1 1 171 171 SER CB C 171 64.560 64.560 65.695 -1.135 19221 3005 1 3 . 1 1 171 171 SER H H 171 9.242 9.242 9.132 0.110 19221 3006 1 3 . 1 1 172 172 TRP N N 172 123.970 123.970 120.603 3.367 19221 3007 1 3 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.843 -0.208 19221 3008 1 3 . 1 1 172 172 TRP C C 172 172.618 172.618 173.409 -0.791 19221 3009 1 3 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.039 0.871 19221 3010 1 3 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.735 -1.085 19221 3011 1 3 . 1 1 172 172 TRP H H 172 7.929 7.929 7.595 0.334 19221 3012 1 3 . 1 1 173 173 VAL N N 173 123.660 123.660 122.517 1.143 19221 3013 1 3 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.168 -0.038 19221 3014 1 3 . 1 1 173 173 VAL C C 173 170.746 170.746 173.044 -2.298 19221 3015 1 3 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.766 -0.666 19221 3016 1 3 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.106 0.114 19221 3017 1 3 . 1 1 173 173 VAL H H 173 6.764 6.764 7.340 -0.576 19221 3018 1 3 . 1 1 174 174 GLN N N 174 126.430 126.430 125.817 0.613 19221 3019 1 3 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.888 -0.282 19221 3020 1 3 . 1 1 174 174 GLN C C 174 172.955 172.955 174.505 -1.550 19221 3021 1 3 . 1 1 174 174 GLN CA C 174 54.050 54.050 55.324 -1.274 19221 3022 1 3 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.350 1.410 19221 3023 1 3 . 1 1 174 174 GLN H H 174 7.071 7.071 8.158 -1.087 19221 3024 1 3 . 1 1 175 175 PRO HA H 175 3.861 3.861 3.751 0.110 19221 3025 1 3 . 1 1 175 175 PRO C C 175 175.955 175.955 175.878 0.077 19221 3026 1 3 . 1 1 175 175 PRO CA C 175 62.750 62.750 64.170 -1.420 19221 3027 1 3 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.030 0.370 19221 3028 1 4 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.195 -0.055 19221 3029 1 4 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.031 0.059 19221 3030 1 4 . 1 1 2 2 LYS CB C 2 32.930 32.930 32.589 0.341 19221 3031 1 4 . 1 1 4 4 ASP C C 4 176.140 176.140 177.058 -0.918 19221 3032 1 4 . 1 1 4 4 ASP CA C 4 55.530 55.530 54.344 1.186 19221 3033 1 4 . 1 1 4 4 ASP CB C 4 41.980 41.980 41.602 0.378 19221 3034 1 4 . 1 1 5 5 PHE N N 5 122.270 122.270 123.740 -1.470 19221 3035 1 4 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.216 -0.037 19221 3036 1 4 . 1 1 5 5 PHE C C 5 177.706 177.706 177.617 0.089 19221 3037 1 4 . 1 1 5 5 PHE CA C 5 61.880 61.880 62.169 -0.288 19221 3038 1 4 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.801 0.099 19221 3039 1 4 . 1 1 5 5 PHE H H 5 7.853 7.853 8.871 -1.018 19221 3040 1 4 . 1 1 6 6 ASN N N 6 114.920 114.920 117.305 -2.385 19221 3041 1 4 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.524 -0.123 19221 3042 1 4 . 1 1 6 6 ASN C C 6 176.990 176.990 177.678 -0.688 19221 3043 1 4 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.553 -0.083 19221 3044 1 4 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.393 0.830 19221 3045 1 4 . 1 1 6 6 ASN H H 6 8.051 8.051 8.888 -0.837 19221 3046 1 4 . 1 1 7 7 SER N N 7 112.970 112.970 117.333 -4.363 19221 3047 1 4 . 1 1 7 7 SER HA H 7 4.435 4.435 4.561 -0.126 19221 3048 1 4 . 1 1 7 7 SER C C 7 177.780 177.780 176.713 1.067 19221 3049 1 4 . 1 1 7 7 SER CA C 7 61.440 61.440 62.348 -0.908 19221 3050 1 4 . 1 1 7 7 SER CB C 7 62.770 62.770 63.243 -0.473 19221 3051 1 4 . 1 1 7 7 SER H H 7 8.041 8.041 8.668 -0.627 19221 3052 1 4 . 1 1 8 8 PHE N N 8 123.560 123.560 124.096 -0.536 19221 3053 1 4 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.288 -0.221 19221 3054 1 4 . 1 1 8 8 PHE C C 8 177.959 177.959 177.055 0.904 19221 3055 1 4 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.890 0.220 19221 3056 1 4 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.377 -0.411 19221 3057 1 4 . 1 1 8 8 PHE H H 8 8.364 8.364 8.593 -0.229 19221 3058 1 4 . 1 1 9 9 TYR N N 9 122.550 122.550 121.694 0.856 19221 3059 1 4 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.021 -0.021 19221 3060 1 4 . 1 1 9 9 TYR C C 9 176.360 176.360 176.700 -0.340 19221 3061 1 4 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.063 -0.054 19221 3062 1 4 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.376 -0.176 19221 3063 1 4 . 1 1 9 9 TYR H H 9 8.230 8.230 9.073 -0.843 19221 3064 1 4 . 1 1 10 10 TYR N N 10 115.490 115.490 119.364 -3.874 19221 3065 1 4 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.944 0.162 19221 3066 1 4 . 1 1 10 10 TYR C C 10 180.280 180.280 177.498 2.782 19221 3067 1 4 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.612 0.908 19221 3068 1 4 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.695 -0.765 19221 3069 1 4 . 1 1 10 10 TYR H H 10 7.958 7.958 8.663 -0.705 19221 3070 1 4 . 1 1 11 11 THR N N 11 115.140 115.140 116.807 -1.667 19221 3071 1 4 . 1 1 11 11 THR HA H 11 3.934 3.934 3.558 0.376 19221 3072 1 4 . 1 1 11 11 THR CA C 11 66.560 66.560 66.868 -0.308 19221 3073 1 4 . 1 1 11 11 THR CB C 11 68.750 68.750 68.229 0.521 19221 3074 1 4 . 1 1 11 11 THR H H 11 8.806 8.806 8.512 0.294 19221 3075 1 4 . 1 1 12 12 SER N N 12 120.384 120.384 117.704 2.680 19221 3076 1 4 . 1 1 12 12 SER HA H 12 3.346 3.346 4.100 -0.754 19221 3077 1 4 . 1 1 12 12 SER C C 12 175.891 175.891 176.158 -0.267 19221 3078 1 4 . 1 1 12 12 SER CA C 12 62.740 62.740 62.159 0.581 19221 3079 1 4 . 1 1 12 12 SER CB C 12 62.580 62.580 62.882 -0.302 19221 3080 1 4 . 1 1 12 12 SER H H 12 8.151 8.151 7.946 0.205 19221 3081 1 4 . 1 1 13 13 LEU N N 13 121.640 121.640 121.154 0.486 19221 3082 1 4 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.877 -0.075 19221 3083 1 4 . 1 1 13 13 LEU C C 13 180.374 180.374 178.645 1.729 19221 3084 1 4 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.311 1.039 19221 3085 1 4 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.741 -0.331 19221 3086 1 4 . 1 1 13 13 LEU H H 13 7.893 7.893 7.720 0.173 19221 3087 1 4 . 1 1 14 14 LEU N N 14 120.470 120.470 120.383 0.087 19221 3088 1 4 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.799 0.362 19221 3089 1 4 . 1 1 14 14 LEU C C 14 179.880 179.880 178.354 1.526 19221 3090 1 4 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.335 0.665 19221 3091 1 4 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.569 -0.019 19221 3092 1 4 . 1 1 14 14 LEU H H 14 7.528 7.528 8.238 -0.710 19221 3093 1 4 . 1 1 15 15 TYR N N 15 122.257 122.257 119.632 2.625 19221 3094 1 4 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.190 0.075 19221 3095 1 4 . 1 1 15 15 TYR C C 15 177.033 177.033 177.628 -0.595 19221 3096 1 4 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.266 0.464 19221 3097 1 4 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.132 -0.032 19221 3098 1 4 . 1 1 15 15 TYR H H 15 8.135 8.135 8.348 -0.213 19221 3099 1 4 . 1 1 16 16 LEU N N 16 118.440 118.440 116.696 1.744 19221 3100 1 4 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.801 0.004 19221 3101 1 4 . 1 1 16 16 LEU C C 16 179.055 179.055 177.698 1.357 19221 3102 1 4 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.184 0.029 19221 3103 1 4 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.589 0.476 19221 3104 1 4 . 1 1 16 16 LEU H H 16 8.452 8.452 7.666 0.786 19221 3105 1 4 . 1 1 17 17 SER N N 17 114.450 114.450 111.791 2.659 19221 3106 1 4 . 1 1 17 17 SER HA H 17 4.430 4.430 4.366 0.064 19221 3107 1 4 . 1 1 17 17 SER C C 17 175.197 175.197 175.938 -0.741 19221 3108 1 4 . 1 1 17 17 SER CA C 17 61.040 61.040 60.363 0.677 19221 3109 1 4 . 1 1 17 17 SER CB C 17 63.460 63.460 63.766 -0.306 19221 3110 1 4 . 1 1 17 17 SER H H 17 7.848 7.848 7.752 0.096 19221 3111 1 4 . 1 1 18 18 THR N N 18 110.850 110.850 113.010 -2.160 19221 3112 1 4 . 1 1 18 18 THR HA H 18 4.452 4.452 4.272 0.180 19221 3113 1 4 . 1 1 18 18 THR C C 18 174.439 174.439 175.220 -0.781 19221 3114 1 4 . 1 1 18 18 THR CA C 18 61.421 61.421 63.035 -1.614 19221 3115 1 4 . 1 1 18 18 THR CB C 18 69.940 69.940 69.692 0.248 19221 3116 1 4 . 1 1 18 18 THR H H 18 7.505 7.505 7.668 -0.163 19221 3117 1 4 . 1 1 19 19 LEU N N 19 123.180 123.180 123.621 -0.441 19221 3118 1 4 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.058 0.102 19221 3119 1 4 . 1 1 19 19 LEU C C 19 176.926 176.926 175.281 1.645 19221 3120 1 4 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.956 -0.666 19221 3121 1 4 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.694 -0.246 19221 3122 1 4 . 1 1 19 19 LEU H H 19 7.095 7.095 7.605 -0.510 19221 3123 1 4 . 1 1 20 20 GLU N N 20 125.330 125.330 119.939 5.391 19221 3124 1 4 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.720 -0.112 19221 3125 1 4 . 1 1 20 20 GLU C C 20 175.915 175.915 174.924 0.991 19221 3126 1 4 . 1 1 20 20 GLU CA C 20 54.773 54.773 53.486 1.287 19221 3127 1 4 . 1 1 20 20 GLU CB C 20 29.590 29.590 31.375 -1.785 19221 3128 1 4 . 1 1 20 20 GLU H H 20 8.535 8.535 8.365 0.170 19221 3129 1 4 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.207 0.126 19221 3130 1 4 . 1 1 21 21 PRO C C 21 177.196 177.196 178.340 -1.144 19221 3131 1 4 . 1 1 21 21 PRO CA C 21 64.780 64.780 65.269 -0.490 19221 3132 1 4 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.728 0.122 19221 3133 1 4 . 1 1 22 22 SER N N 22 111.220 111.220 113.547 -2.327 19221 3134 1 4 . 1 1 22 22 SER HA H 22 4.398 4.398 4.221 0.177 19221 3135 1 4 . 1 1 22 22 SER C C 22 175.056 175.056 175.577 -0.521 19221 3136 1 4 . 1 1 22 22 SER CA C 22 58.530 58.530 60.611 -2.081 19221 3137 1 4 . 1 1 22 22 SER CB C 22 63.500 63.500 63.117 0.383 19221 3138 1 4 . 1 1 22 22 SER H H 22 7.967 7.967 8.671 -0.704 19221 3139 1 4 . 1 1 23 23 THR N N 23 117.440 117.440 109.563 7.877 19221 3140 1 4 . 1 1 23 23 THR HA H 23 4.279 4.279 4.494 -0.215 19221 3141 1 4 . 1 1 23 23 THR C C 23 174.573 174.573 175.044 -0.471 19221 3142 1 4 . 1 1 23 23 THR CA C 23 62.920 62.920 61.727 1.193 19221 3143 1 4 . 1 1 23 23 THR CB C 23 69.260 69.260 70.297 -1.037 19221 3144 1 4 . 1 1 23 23 THR H H 23 7.936 7.936 7.863 0.073 19221 3145 1 4 . 1 1 24 24 SER N N 24 119.820 119.820 119.067 0.753 19221 3146 1 4 . 1 1 24 24 SER HA H 24 4.485 4.485 3.932 0.553 19221 3147 1 4 . 1 1 24 24 SER C C 24 174.082 174.082 173.151 0.931 19221 3148 1 4 . 1 1 24 24 SER CA C 24 58.600 58.600 60.319 -1.719 19221 3149 1 4 . 1 1 24 24 SER CB C 24 63.430 63.430 62.625 0.805 19221 3150 1 4 . 1 1 24 24 SER H H 24 8.438 8.438 8.303 0.135 19221 3151 1 4 . 1 1 25 25 ILE N N 25 123.140 123.140 120.470 2.670 19221 3152 1 4 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.520 -0.041 19221 3153 1 4 . 1 1 25 25 ILE C C 25 176.472 176.472 176.256 0.216 19221 3154 1 4 . 1 1 25 25 ILE CA C 25 61.010 61.010 59.929 1.081 19221 3155 1 4 . 1 1 25 25 ILE CB C 25 39.460 39.460 40.316 -0.856 19221 3156 1 4 . 1 1 25 25 ILE H H 25 7.870 7.870 8.218 -0.348 19221 3157 1 4 . 1 1 26 26 THR N N 26 118.120 118.120 114.905 3.215 19221 3158 1 4 . 1 1 26 26 THR HA H 26 4.394 4.394 4.699 -0.305 19221 3159 1 4 . 1 1 26 26 THR C C 26 175.540 175.540 175.488 0.052 19221 3160 1 4 . 1 1 26 26 THR CA C 26 61.890 61.890 59.955 1.935 19221 3161 1 4 . 1 1 26 26 THR CB C 26 71.320 71.320 70.573 0.747 19221 3162 1 4 . 1 1 26 26 THR H H 26 8.649 8.649 8.200 0.449 19221 3163 1 4 . 1 1 27 27 LEU N N 27 123.130 123.130 121.225 1.905 19221 3164 1 4 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.165 -0.076 19221 3165 1 4 . 1 1 27 27 LEU C C 27 178.653 178.653 178.141 0.512 19221 3166 1 4 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.567 1.193 19221 3167 1 4 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.441 -0.261 19221 3168 1 4 . 1 1 27 27 LEU H H 27 8.766 8.766 8.623 0.143 19221 3169 1 4 . 1 1 28 28 ALA N N 28 119.510 119.510 121.124 -1.614 19221 3170 1 4 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.136 0.127 19221 3171 1 4 . 1 1 28 28 ALA C C 28 178.218 178.218 180.026 -1.808 19221 3172 1 4 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.844 0.476 19221 3173 1 4 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.185 -0.065 19221 3174 1 4 . 1 1 28 28 ALA H H 28 8.546 8.546 8.313 0.233 19221 3175 1 4 . 1 1 29 29 GLU N N 29 118.210 118.210 117.831 0.379 19221 3176 1 4 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.138 -0.057 19221 3177 1 4 . 1 1 29 29 GLU C C 29 179.929 179.929 179.362 0.567 19221 3178 1 4 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.177 0.123 19221 3179 1 4 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.476 0.600 19221 3180 1 4 . 1 1 29 29 GLU H H 29 7.719 7.719 8.188 -0.469 19221 3181 1 4 . 1 1 30 30 ARG N N 30 121.350 121.350 120.606 0.744 19221 3182 1 4 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.043 -0.084 19221 3183 1 4 . 1 1 30 30 ARG C C 30 177.538 177.538 178.927 -1.389 19221 3184 1 4 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.801 0.844 19221 3185 1 4 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.133 0.868 19221 3186 1 4 . 1 1 30 30 ARG H H 30 8.410 8.410 8.000 0.410 19221 3187 1 4 . 1 1 31 31 GLN N N 31 117.670 117.670 119.304 -1.634 19221 3188 1 4 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.078 -0.126 19221 3189 1 4 . 1 1 31 31 GLN C C 31 178.220 178.220 178.986 -0.766 19221 3190 1 4 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.291 -0.336 19221 3191 1 4 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.655 -0.025 19221 3192 1 4 . 1 1 31 31 GLN H H 31 8.742 8.742 8.394 0.348 19221 3193 1 4 . 1 1 32 32 GLN N N 32 117.910 117.910 118.927 -1.017 19221 3194 1 4 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.180 -0.193 19221 3195 1 4 . 1 1 32 32 GLN C C 32 177.712 177.712 178.753 -1.041 19221 3196 1 4 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.472 -0.142 19221 3197 1 4 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.491 -0.171 19221 3198 1 4 . 1 1 32 32 GLN H H 32 7.732 7.732 7.904 -0.172 19221 3199 1 4 . 1 1 33 33 LEU N N 33 119.680 119.680 121.546 -1.866 19221 3200 1 4 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.037 0.367 19221 3201 1 4 . 1 1 33 33 LEU C C 33 178.876 178.876 177.873 1.003 19221 3202 1 4 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.651 0.399 19221 3203 1 4 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.491 0.309 19221 3204 1 4 . 1 1 33 33 LEU H H 33 7.846 7.846 8.571 -0.725 19221 3205 1 4 . 1 1 34 34 ALA N N 34 121.660 121.660 121.744 -0.084 19221 3206 1 4 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.962 -0.221 19221 3207 1 4 . 1 1 34 34 ALA C C 34 180.025 180.025 179.248 0.777 19221 3208 1 4 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.343 0.327 19221 3209 1 4 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.099 0.842 19221 3210 1 4 . 1 1 34 34 ALA H H 34 8.308 8.308 8.675 -0.367 19221 3211 1 4 . 1 1 35 35 TYR N N 35 120.860 120.860 119.670 1.190 19221 3212 1 4 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.729 0.029 19221 3213 1 4 . 1 1 35 35 TYR C C 35 176.384 176.384 177.470 -1.086 19221 3214 1 4 . 1 1 35 35 TYR CA C 35 62.020 62.020 62.010 0.010 19221 3215 1 4 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.030 0.430 19221 3216 1 4 . 1 1 35 35 TYR H H 35 8.457 8.457 8.266 0.191 19221 3217 1 4 . 1 1 36 36 ASP N N 36 120.570 120.570 119.349 1.221 19221 3218 1 4 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.104 0.131 19221 3219 1 4 . 1 1 36 36 ASP C C 36 180.544 180.544 178.641 1.903 19221 3220 1 4 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.275 0.665 19221 3221 1 4 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.858 -0.388 19221 3222 1 4 . 1 1 36 36 ASP H H 36 9.072 9.072 8.006 1.066 19221 3223 1 4 . 1 1 37 37 LEU N N 37 123.000 123.000 121.219 1.781 19221 3224 1 4 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.089 0.057 19221 3225 1 4 . 1 1 37 37 LEU C C 37 178.743 178.743 178.331 0.412 19221 3226 1 4 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.537 0.077 19221 3227 1 4 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.960 0.850 19221 3228 1 4 . 1 1 37 37 LEU H H 37 9.068 9.068 8.627 0.441 19221 3229 1 4 . 1 1 38 38 SER N N 38 116.650 116.650 115.811 0.839 19221 3230 1 4 . 1 1 38 38 SER HA H 38 3.680 3.680 4.201 -0.521 19221 3231 1 4 . 1 1 38 38 SER C C 38 174.113 174.113 176.808 -2.695 19221 3232 1 4 . 1 1 38 38 SER CA C 38 59.430 59.430 62.506 -3.076 19221 3233 1 4 . 1 1 38 38 SER CB C 38 63.559 63.559 62.804 0.754 19221 3234 1 4 . 1 1 38 38 SER H H 38 7.824 7.824 8.080 -0.256 19221 3235 1 4 . 1 1 39 39 ILE N N 39 121.198 121.198 122.053 -0.855 19221 3236 1 4 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.558 -0.153 19221 3237 1 4 . 1 1 39 39 ILE C C 39 176.113 176.113 177.804 -1.691 19221 3238 1 4 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.209 -0.849 19221 3239 1 4 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.526 -1.178 19221 3240 1 4 . 1 1 39 39 ILE H H 39 8.313 8.313 8.121 0.192 19221 3241 1 4 . 1 1 40 40 SER N N 40 115.537 115.537 116.242 -0.705 19221 3242 1 4 . 1 1 40 40 SER HA H 40 4.534 4.534 4.189 0.345 19221 3243 1 4 . 1 1 40 40 SER C C 40 174.881 174.881 175.393 -0.512 19221 3244 1 4 . 1 1 40 40 SER CA C 40 62.520 62.520 62.085 0.435 19221 3245 1 4 . 1 1 40 40 SER CB C 40 62.670 62.670 62.996 -0.326 19221 3246 1 4 . 1 1 40 40 SER H H 40 7.961 7.961 8.474 -0.513 19221 3247 1 4 . 1 1 41 41 ALA N N 41 123.360 123.360 121.713 1.647 19221 3248 1 4 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.981 -0.389 19221 3249 1 4 . 1 1 41 41 ALA C C 41 178.822 178.822 180.007 -1.185 19221 3250 1 4 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.226 -0.104 19221 3251 1 4 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.787 -0.397 19221 3252 1 4 . 1 1 41 41 ALA H H 41 7.878 7.878 7.721 0.157 19221 3253 1 4 . 1 1 42 42 LEU N N 42 115.790 115.790 120.487 -4.697 19221 3254 1 4 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.049 -0.473 19221 3255 1 4 . 1 1 42 42 LEU C C 42 179.683 179.683 178.224 1.459 19221 3256 1 4 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.625 1.106 19221 3257 1 4 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.154 0.056 19221 3258 1 4 . 1 1 42 42 LEU H H 42 7.737 7.737 8.151 -0.414 19221 3259 1 4 . 1 1 43 43 LEU N N 43 113.670 113.670 113.765 -0.095 19221 3260 1 4 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.184 -0.177 19221 3261 1 4 . 1 1 43 43 LEU C C 43 177.279 177.279 176.666 0.613 19221 3262 1 4 . 1 1 43 43 LEU CA C 43 54.930 54.930 53.560 1.370 19221 3263 1 4 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.639 0.181 19221 3264 1 4 . 1 1 43 43 LEU H H 43 7.798 7.798 7.661 0.137 19221 3265 1 4 . 1 1 44 44 GLY N N 44 108.270 108.270 108.757 -0.487 19221 3266 1 4 . 1 1 44 44 GLY C C 44 177.020 177.020 174.069 2.951 19221 3267 1 4 . 1 1 44 44 GLY CA C 44 46.890 46.890 45.300 1.590 19221 3268 1 4 . 1 1 44 44 GLY H H 44 7.984 7.984 7.861 0.123 19221 3269 1 4 . 1 1 45 45 ASP N N 45 128.400 128.400 125.385 3.015 19221 3270 1 4 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.479 0.080 19221 3271 1 4 . 1 1 45 45 ASP C C 45 177.183 177.183 176.477 0.706 19221 3272 1 4 . 1 1 45 45 ASP CA C 45 55.450 55.450 57.198 -1.748 19221 3273 1 4 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.399 -1.609 19221 3274 1 4 . 1 1 45 45 ASP H H 45 9.073 9.073 8.654 0.419 19221 3275 1 4 . 1 1 46 46 LYS N N 46 117.230 117.230 113.020 4.210 19221 3276 1 4 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.656 0.289 19221 3277 1 4 . 1 1 46 46 LYS C C 46 176.544 176.544 176.013 0.531 19221 3278 1 4 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.101 0.509 19221 3279 1 4 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.606 1.354 19221 3280 1 4 . 1 1 46 46 LYS H H 46 8.987 8.987 8.092 0.895 19221 3281 1 4 . 1 1 47 47 ILE N N 47 121.540 121.540 123.765 -2.225 19221 3282 1 4 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.763 0.334 19221 3283 1 4 . 1 1 47 47 ILE C C 47 174.082 174.082 173.867 0.215 19221 3284 1 4 . 1 1 47 47 ILE CA C 47 61.080 61.080 62.014 -0.933 19221 3285 1 4 . 1 1 47 47 ILE CB C 47 37.008 37.008 37.848 -0.840 19221 3286 1 4 . 1 1 47 47 ILE H H 47 6.840 6.840 7.264 -0.424 19221 3287 1 4 . 1 1 48 48 TYR N N 48 123.820 123.820 125.202 -1.382 19221 3288 1 4 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.382 -0.073 19221 3289 1 4 . 1 1 48 48 TYR C C 48 173.249 173.249 173.845 -0.596 19221 3290 1 4 . 1 1 48 48 TYR CA C 48 57.350 57.350 57.563 -0.213 19221 3291 1 4 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.518 -0.288 19221 3292 1 4 . 1 1 48 48 TYR H H 48 8.511 8.511 7.835 0.676 19221 3293 1 4 . 1 1 49 49 ASN N N 49 116.100 116.100 117.444 -1.344 19221 3294 1 4 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.722 -0.271 19221 3295 1 4 . 1 1 49 49 ASN C C 49 175.429 175.429 175.071 0.358 19221 3296 1 4 . 1 1 49 49 ASN CA C 49 53.077 53.077 52.617 0.460 19221 3297 1 4 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.168 1.748 19221 3298 1 4 . 1 1 49 49 ASN H H 49 6.906 6.906 7.256 -0.350 19221 3299 1 4 . 1 1 50 50 PHE N N 50 124.360 124.360 121.550 2.810 19221 3300 1 4 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.242 0.769 19221 3301 1 4 . 1 1 50 50 PHE C C 50 176.190 176.190 177.455 -1.265 19221 3302 1 4 . 1 1 50 50 PHE CA C 50 55.863 55.863 60.757 -4.894 19221 3303 1 4 . 1 1 50 50 PHE CB C 50 38.482 38.482 38.142 0.340 19221 3304 1 4 . 1 1 50 50 PHE H H 50 8.980 8.980 8.765 0.215 19221 3305 1 4 . 1 1 51 51 GLY N N 51 109.740 109.740 108.184 1.556 19221 3306 1 4 . 1 1 51 51 GLY C C 51 175.758 175.758 175.989 -0.231 19221 3307 1 4 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.051 1.249 19221 3308 1 4 . 1 1 51 51 GLY H H 51 8.658 8.658 8.499 0.159 19221 3309 1 4 . 1 1 52 52 GLU N N 52 120.700 120.700 120.888 -0.188 19221 3310 1 4 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.201 -0.119 19221 3311 1 4 . 1 1 52 52 GLU C C 52 178.240 178.240 179.247 -1.007 19221 3312 1 4 . 1 1 52 52 GLU CA C 52 59.210 59.210 58.825 0.385 19221 3313 1 4 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.260 0.479 19221 3314 1 4 . 1 1 52 52 GLU H H 52 8.321 8.321 7.807 0.514 19221 3315 1 4 . 1 1 53 53 LEU N N 53 119.400 119.400 121.027 -1.627 19221 3316 1 4 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.361 -0.203 19221 3317 1 4 . 1 1 53 53 LEU C C 53 178.344 178.344 178.928 -0.584 19221 3318 1 4 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.510 0.280 19221 3319 1 4 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.445 0.395 19221 3320 1 4 . 1 1 53 53 LEU H H 53 7.694 7.694 7.866 -0.172 19221 3321 1 4 . 1 1 54 54 LEU N N 54 114.230 114.230 118.098 -3.868 19221 3322 1 4 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.236 -0.313 19221 3323 1 4 . 1 1 54 54 LEU C C 54 178.643 178.643 178.412 0.231 19221 3324 1 4 . 1 1 54 54 LEU CA C 54 57.730 57.730 57.331 0.399 19221 3325 1 4 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.580 0.270 19221 3326 1 4 . 1 1 54 54 LEU H H 54 8.369 8.369 8.342 0.027 19221 3327 1 4 . 1 1 55 55 HIS N N 55 113.420 113.420 115.685 -2.265 19221 3328 1 4 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.687 0.020 19221 3329 1 4 . 1 1 55 55 HIS C C 55 173.981 173.981 174.720 -0.739 19221 3330 1 4 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.727 -0.207 19221 3331 1 4 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.429 -2.149 19221 3332 1 4 . 1 1 55 55 HIS H H 55 7.569 7.569 7.804 -0.235 19221 3333 1 4 . 1 1 56 56 HIS N N 56 126.050 126.050 122.715 3.335 19221 3334 1 4 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.663 -0.182 19221 3335 1 4 . 1 1 56 56 HIS C C 56 176.705 176.705 174.132 2.573 19221 3336 1 4 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.223 2.127 19221 3337 1 4 . 1 1 56 56 HIS CB C 56 31.720 31.720 30.869 0.851 19221 3338 1 4 . 1 1 56 56 HIS H H 56 8.068 8.068 8.203 -0.135 19221 3339 1 4 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.450 -0.073 19221 3340 1 4 . 1 1 57 57 PRO C C 57 179.790 179.790 174.817 4.973 19221 3341 1 4 . 1 1 57 57 PRO CA C 57 65.440 65.440 63.829 1.611 19221 3342 1 4 . 1 1 57 57 PRO CB C 57 32.430 32.430 30.051 2.379 19221 3343 1 4 . 1 1 58 58 ILE N N 58 124.900 124.900 120.717 4.183 19221 3344 1 4 . 1 1 58 58 ILE HA H 58 4.270 4.270 4.315 -0.045 19221 3345 1 4 . 1 1 58 58 ILE C C 58 177.782 177.782 176.059 1.723 19221 3346 1 4 . 1 1 58 58 ILE CA C 58 62.530 62.530 61.935 0.595 19221 3347 1 4 . 1 1 58 58 ILE CB C 58 38.270 38.270 40.377 -2.107 19221 3348 1 4 . 1 1 58 58 ILE H H 58 11.871 11.871 8.366 3.505 19221 3349 1 4 . 1 1 59 59 MET N N 59 120.230 120.230 120.106 0.124 19221 3350 1 4 . 1 1 59 59 MET HA H 59 4.431 4.431 4.222 0.209 19221 3351 1 4 . 1 1 59 59 MET C C 59 178.757 178.757 177.963 0.794 19221 3352 1 4 . 1 1 59 59 MET CA C 59 55.720 55.720 57.279 -1.559 19221 3353 1 4 . 1 1 59 59 MET CB C 59 30.980 30.980 31.161 -0.181 19221 3354 1 4 . 1 1 59 59 MET H H 59 8.152 8.152 7.750 0.402 19221 3355 1 4 . 1 1 60 60 GLU N N 60 119.080 119.080 118.422 0.658 19221 3356 1 4 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.940 0.068 19221 3357 1 4 . 1 1 60 60 GLU C C 60 178.242 178.242 178.674 -0.432 19221 3358 1 4 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.088 -0.568 19221 3359 1 4 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.633 0.914 19221 3360 1 4 . 1 1 60 60 GLU H H 60 7.889 7.889 8.811 -0.922 19221 3361 1 4 . 1 1 61 61 THR N N 61 106.740 106.740 110.171 -3.431 19221 3362 1 4 . 1 1 61 61 THR HA H 61 4.120 4.120 4.229 -0.109 19221 3363 1 4 . 1 1 61 61 THR C C 61 176.056 176.056 176.021 0.035 19221 3364 1 4 . 1 1 61 61 THR CA C 61 64.520 64.520 64.535 -0.015 19221 3365 1 4 . 1 1 61 61 THR CB C 61 69.420 69.420 69.442 -0.022 19221 3366 1 4 . 1 1 61 61 THR H H 61 7.558 7.558 7.740 -0.182 19221 3367 1 4 . 1 1 62 62 ILE N N 62 113.140 113.140 115.624 -2.484 19221 3368 1 4 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.601 -0.014 19221 3369 1 4 . 1 1 62 62 ILE C C 62 176.843 176.843 177.368 -0.525 19221 3370 1 4 . 1 1 62 62 ILE CA C 62 61.790 61.790 62.784 -0.994 19221 3371 1 4 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.464 -0.094 19221 3372 1 4 . 1 1 62 62 ILE H H 62 7.235 7.235 7.827 -0.592 19221 3373 1 4 . 1 1 63 63 VAL N N 63 122.110 122.110 120.312 1.798 19221 3374 1 4 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.528 -0.182 19221 3375 1 4 . 1 1 63 63 VAL C C 63 175.165 175.165 177.284 -2.119 19221 3376 1 4 . 1 1 63 63 VAL CA C 63 64.440 64.440 66.114 -1.673 19221 3377 1 4 . 1 1 63 63 VAL CB C 63 31.199 31.199 30.489 0.710 19221 3378 1 4 . 1 1 63 63 VAL H H 63 7.436 7.436 8.294 -0.858 19221 3379 1 4 . 1 1 64 64 ASN N N 64 116.810 116.810 118.603 -1.793 19221 3380 1 4 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.417 0.364 19221 3381 1 4 . 1 1 64 64 ASN C C 64 174.101 174.101 177.135 -3.034 19221 3382 1 4 . 1 1 64 64 ASN CA C 64 52.900 52.900 56.094 -3.194 19221 3383 1 4 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.713 0.066 19221 3384 1 4 . 1 1 64 64 ASN H H 64 8.352 8.352 7.595 0.757 19221 3385 1 4 . 1 1 65 65 ASP N N 65 120.930 120.930 118.958 1.972 19221 3386 1 4 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.432 0.448 19221 3387 1 4 . 1 1 65 65 ASP C C 65 177.534 177.534 176.311 1.223 19221 3388 1 4 . 1 1 65 65 ASP CA C 65 53.170 53.170 55.738 -2.568 19221 3389 1 4 . 1 1 65 65 ASP CB C 65 43.100 43.100 41.002 2.098 19221 3390 1 4 . 1 1 65 65 ASP H H 65 7.453 7.453 8.289 -0.836 19221 3391 1 4 . 1 1 66 66 SER HA H 66 4.356 4.356 4.004 0.352 19221 3392 1 4 . 1 1 66 66 SER C C 66 176.310 176.310 174.975 1.335 19221 3393 1 4 . 1 1 66 66 SER CA C 66 61.350 61.350 60.472 0.878 19221 3394 1 4 . 1 1 66 66 SER CB C 66 63.120 63.120 61.595 1.525 19221 3395 1 4 . 1 1 66 66 SER H H 66 7.010 7.010 8.113 -1.103 19221 3396 1 4 . 1 1 67 67 ASN N N 67 120.050 120.050 120.100 -0.050 19221 3397 1 4 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.408 0.197 19221 3398 1 4 . 1 1 67 67 ASN C C 67 176.107 176.107 175.033 1.074 19221 3399 1 4 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.177 0.393 19221 3400 1 4 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.487 0.113 19221 3401 1 4 . 1 1 67 67 ASN H H 67 9.014 9.014 7.972 1.042 19221 3402 1 4 . 1 1 68 68 TYR N N 68 114.840 114.840 113.764 1.076 19221 3403 1 4 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.231 0.288 19221 3404 1 4 . 1 1 68 68 TYR C C 68 175.709 175.709 175.474 0.235 19221 3405 1 4 . 1 1 68 68 TYR CA C 68 57.610 57.610 55.568 2.042 19221 3406 1 4 . 1 1 68 68 TYR CB C 68 39.750 39.750 37.734 2.016 19221 3407 1 4 . 1 1 68 68 TYR H H 68 8.276 8.276 7.463 0.813 19221 3408 1 4 . 1 1 69 69 ASP N N 69 122.810 122.810 122.879 -0.069 19221 3409 1 4 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.370 0.082 19221 3410 1 4 . 1 1 69 69 ASP C C 69 178.371 178.371 177.654 0.717 19221 3411 1 4 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.369 0.261 19221 3412 1 4 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.932 -0.302 19221 3413 1 4 . 1 1 69 69 ASP H H 69 7.806 7.806 8.133 -0.327 19221 3414 1 4 . 1 1 70 70 TRP N N 70 117.270 117.270 118.346 -1.076 19221 3415 1 4 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.470 -0.306 19221 3416 1 4 . 1 1 70 70 TRP C C 70 176.090 176.090 177.560 -1.470 19221 3417 1 4 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.575 -1.045 19221 3418 1 4 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.340 -0.790 19221 3419 1 4 . 1 1 70 70 TRP H H 70 8.172 8.172 7.990 0.182 19221 3420 1 4 . 1 1 71 71 LEU N N 71 125.263 125.263 121.797 3.466 19221 3421 1 4 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.739 -0.499 19221 3422 1 4 . 1 1 71 71 LEU C C 71 178.306 178.306 178.403 -0.097 19221 3423 1 4 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.193 0.417 19221 3424 1 4 . 1 1 71 71 LEU CB C 71 41.190 41.190 41.013 0.177 19221 3425 1 4 . 1 1 71 71 LEU H H 71 6.251 6.251 6.326 -0.075 19221 3426 1 4 . 1 1 72 72 PHE N N 72 117.630 117.630 119.807 -2.177 19221 3427 1 4 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.969 -0.156 19221 3428 1 4 . 1 1 72 72 PHE C C 72 178.797 178.797 177.215 1.582 19221 3429 1 4 . 1 1 72 72 PHE CA C 72 62.571 62.571 62.031 0.540 19221 3430 1 4 . 1 1 72 72 PHE CB C 72 38.810 38.810 39.105 -0.294 19221 3431 1 4 . 1 1 72 72 PHE H H 72 6.996 6.996 8.465 -1.469 19221 3432 1 4 . 1 1 73 73 GLN N N 73 117.950 117.950 117.880 0.070 19221 3433 1 4 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.870 0.196 19221 3434 1 4 . 1 1 73 73 GLN C C 73 179.341 179.341 178.253 1.088 19221 3435 1 4 . 1 1 73 73 GLN CA C 73 59.090 59.090 59.042 0.048 19221 3436 1 4 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.836 -0.586 19221 3437 1 4 . 1 1 73 73 GLN H H 73 8.415 8.415 8.508 -0.093 19221 3438 1 4 . 1 1 74 74 LEU N N 74 122.275 122.275 122.743 -0.468 19221 3439 1 4 . 1 1 74 74 LEU HA H 74 4.070 4.070 3.997 0.073 19221 3440 1 4 . 1 1 74 74 LEU C C 74 177.889 177.889 178.215 -0.326 19221 3441 1 4 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.833 0.737 19221 3442 1 4 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.726 0.454 19221 3443 1 4 . 1 1 74 74 LEU H H 74 8.365 8.365 8.221 0.144 19221 3444 1 4 . 1 1 75 75 LEU N N 75 118.123 118.123 119.199 -1.076 19221 3445 1 4 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.312 0.415 19221 3446 1 4 . 1 1 75 75 LEU C C 75 180.172 180.172 178.790 1.382 19221 3447 1 4 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.130 0.323 19221 3448 1 4 . 1 1 75 75 LEU CB C 75 42.340 42.340 40.816 1.524 19221 3449 1 4 . 1 1 75 75 LEU H H 75 8.210 8.210 8.563 -0.353 19221 3450 1 4 . 1 1 76 76 ASN N N 76 117.960 117.960 117.615 0.345 19221 3451 1 4 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.158 0.217 19221 3452 1 4 . 1 1 76 76 ASN C C 76 176.582 176.582 176.979 -0.397 19221 3453 1 4 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.089 0.871 19221 3454 1 4 . 1 1 76 76 ASN CB C 76 38.950 38.950 38.002 0.948 19221 3455 1 4 . 1 1 76 76 ASN H H 76 8.363 8.363 8.160 0.203 19221 3456 1 4 . 1 1 77 77 ALA N N 77 121.740 121.740 122.285 -0.545 19221 3457 1 4 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.051 0.116 19221 3458 1 4 . 1 1 77 77 ALA C C 77 179.988 179.988 180.029 -0.041 19221 3459 1 4 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.905 0.655 19221 3460 1 4 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.309 -0.979 19221 3461 1 4 . 1 1 77 77 ALA H H 77 8.385 8.385 8.253 0.132 19221 3462 1 4 . 1 1 78 78 LEU N N 78 116.550 116.550 118.003 -1.453 19221 3463 1 4 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.820 -0.167 19221 3464 1 4 . 1 1 78 78 LEU C C 78 177.576 177.576 179.130 -1.554 19221 3465 1 4 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.765 1.219 19221 3466 1 4 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.788 0.222 19221 3467 1 4 . 1 1 78 78 LEU H H 78 7.965 7.965 8.188 -0.223 19221 3468 1 4 . 1 1 79 79 THR N N 79 113.220 113.220 113.637 -0.417 19221 3469 1 4 . 1 1 79 79 THR HA H 79 3.807 3.807 4.298 -0.491 19221 3470 1 4 . 1 1 79 79 THR C C 79 176.163 176.163 176.086 0.077 19221 3471 1 4 . 1 1 79 79 THR CA C 79 66.980 66.980 65.959 1.022 19221 3472 1 4 . 1 1 79 79 THR CB C 79 69.240 69.240 69.420 -0.180 19221 3473 1 4 . 1 1 79 79 THR H H 79 7.565 7.565 7.630 -0.065 19221 3474 1 4 . 1 1 80 80 VAL N N 80 110.800 110.800 113.692 -2.892 19221 3475 1 4 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.179 0.330 19221 3476 1 4 . 1 1 80 80 VAL C C 80 176.751 176.751 176.935 -0.184 19221 3477 1 4 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.028 -1.137 19221 3478 1 4 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.893 0.112 19221 3479 1 4 . 1 1 80 80 VAL H H 80 7.792 7.792 7.833 -0.041 19221 3480 1 4 . 1 1 81 81 GLY N N 81 112.910 112.910 110.077 2.833 19221 3481 1 4 . 1 1 81 81 GLY C C 81 173.874 173.874 174.148 -0.274 19221 3482 1 4 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.797 1.482 19221 3483 1 4 . 1 1 81 81 GLY H H 81 7.506 7.506 7.808 -0.302 19221 3484 1 4 . 1 1 82 82 ASP N N 82 119.112 119.112 120.893 -1.781 19221 3485 1 4 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.767 0.073 19221 3486 1 4 . 1 1 82 82 ASP C C 82 175.706 175.706 176.282 -0.576 19221 3487 1 4 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.879 0.041 19221 3488 1 4 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.703 0.248 19221 3489 1 4 . 1 1 82 82 ASP H H 82 8.254 8.254 7.836 0.418 19221 3490 1 4 . 1 1 83 83 PHE N N 83 123.870 123.870 124.005 -0.135 19221 3491 1 4 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.172 -0.344 19221 3492 1 4 . 1 1 83 83 PHE C C 83 177.950 177.950 176.766 1.184 19221 3493 1 4 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.788 1.782 19221 3494 1 4 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.158 0.961 19221 3495 1 4 . 1 1 83 83 PHE H H 83 8.025 8.025 7.965 0.060 19221 3496 1 4 . 1 1 84 84 ASP N N 84 119.583 119.583 120.619 -1.036 19221 3497 1 4 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.324 0.198 19221 3498 1 4 . 1 1 84 84 ASP C C 84 179.005 179.005 178.612 0.393 19221 3499 1 4 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.254 0.406 19221 3500 1 4 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.581 -0.021 19221 3501 1 4 . 1 1 84 84 ASP H H 84 8.464 8.464 7.327 1.137 19221 3502 1 4 . 1 1 85 85 LYS N N 85 122.200 122.200 119.850 2.350 19221 3503 1 4 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.024 0.068 19221 3504 1 4 . 1 1 85 85 LYS C C 85 178.580 178.580 179.032 -0.452 19221 3505 1 4 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.919 -0.669 19221 3506 1 4 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.260 0.050 19221 3507 1 4 . 1 1 85 85 LYS H H 85 8.009 8.009 8.313 -0.304 19221 3508 1 4 . 1 1 86 86 PHE N N 86 118.590 118.590 120.969 -2.379 19221 3509 1 4 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.084 -0.248 19221 3510 1 4 . 1 1 86 86 PHE C C 86 175.649 175.649 176.688 -1.039 19221 3511 1 4 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.608 0.802 19221 3512 1 4 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.924 1.156 19221 3513 1 4 . 1 1 86 86 PHE H H 86 8.331 8.331 8.711 -0.380 19221 3514 1 4 . 1 1 87 87 ASP N N 87 117.790 117.790 119.277 -1.487 19221 3515 1 4 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.037 0.161 19221 3516 1 4 . 1 1 87 87 ASP C C 87 178.542 178.542 178.517 0.025 19221 3517 1 4 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.672 0.168 19221 3518 1 4 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.582 1.308 19221 3519 1 4 . 1 1 87 87 ASP H H 87 8.560 8.560 8.711 -0.151 19221 3520 1 4 . 1 1 88 88 SER N N 88 112.940 112.940 115.849 -2.909 19221 3521 1 4 . 1 1 88 88 SER HA H 88 4.153 4.153 4.221 -0.068 19221 3522 1 4 . 1 1 88 88 SER C C 88 176.823 176.823 176.048 0.775 19221 3523 1 4 . 1 1 88 88 SER CA C 88 61.590 61.590 61.960 -0.370 19221 3524 1 4 . 1 1 88 88 SER CB C 88 63.085 63.085 63.159 -0.074 19221 3525 1 4 . 1 1 88 88 SER H H 88 7.757 7.757 8.033 -0.276 19221 3526 1 4 . 1 1 89 89 LEU N N 89 121.710 121.710 121.851 -0.141 19221 3527 1 4 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.146 0.022 19221 3528 1 4 . 1 1 89 89 LEU C C 89 180.006 180.006 177.934 2.072 19221 3529 1 4 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.917 -0.087 19221 3530 1 4 . 1 1 89 89 LEU CB C 89 43.380 43.380 41.897 1.483 19221 3531 1 4 . 1 1 89 89 LEU H H 89 8.173 8.173 7.413 0.760 19221 3532 1 4 . 1 1 90 90 ILE N N 90 119.830 119.830 120.832 -1.002 19221 3533 1 4 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.414 0.131 19221 3534 1 4 . 1 1 90 90 ILE C C 90 177.083 177.083 178.490 -1.407 19221 3535 1 4 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.723 -1.813 19221 3536 1 4 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.494 -0.414 19221 3537 1 4 . 1 1 90 90 ILE H H 90 8.424 8.424 8.395 0.029 19221 3538 1 4 . 1 1 91 91 LYS N N 91 117.980 117.980 117.642 0.338 19221 3539 1 4 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.961 -0.060 19221 3540 1 4 . 1 1 91 91 LYS C C 91 178.803 178.803 178.051 0.752 19221 3541 1 4 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.129 0.381 19221 3542 1 4 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.284 0.476 19221 3543 1 4 . 1 1 91 91 LYS H H 91 7.569 7.569 8.173 -0.604 19221 3544 1 4 . 1 1 92 92 VAL N N 92 115.450 115.450 118.155 -2.705 19221 3545 1 4 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.957 -0.029 19221 3546 1 4 . 1 1 92 92 VAL C C 92 177.767 177.767 177.371 0.396 19221 3547 1 4 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.179 -0.629 19221 3548 1 4 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.943 -0.153 19221 3549 1 4 . 1 1 92 92 VAL H H 92 7.432 7.432 7.661 -0.229 19221 3550 1 4 . 1 1 93 93 GLN N N 93 117.250 117.250 119.449 -2.199 19221 3551 1 4 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.969 0.028 19221 3552 1 4 . 1 1 93 93 GLN C C 93 178.756 178.756 178.845 -0.089 19221 3553 1 4 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.857 -0.297 19221 3554 1 4 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.450 0.220 19221 3555 1 4 . 1 1 93 93 GLN H H 93 8.127 8.127 8.558 -0.431 19221 3556 1 4 . 1 1 94 94 ILE N N 94 118.013 118.013 119.927 -1.914 19221 3557 1 4 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.774 -0.134 19221 3558 1 4 . 1 1 94 94 ILE C C 94 176.252 176.252 178.778 -2.526 19221 3559 1 4 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.514 1.466 19221 3560 1 4 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.879 0.251 19221 3561 1 4 . 1 1 94 94 ILE H H 94 8.390 8.390 7.710 0.680 19221 3562 1 4 . 1 1 95 95 SER N N 95 112.220 112.220 116.255 -4.035 19221 3563 1 4 . 1 1 95 95 SER HA H 95 4.158 4.158 4.158 -0.000 19221 3564 1 4 . 1 1 95 95 SER C C 95 174.893 174.893 175.837 -0.944 19221 3565 1 4 . 1 1 95 95 SER CA C 95 59.890 59.890 61.057 -1.167 19221 3566 1 4 . 1 1 95 95 SER CB C 95 63.170 63.170 62.977 0.193 19221 3567 1 4 . 1 1 95 95 SER H H 95 7.227 7.227 8.230 -1.003 19221 3568 1 4 . 1 1 96 96 LYS N N 96 119.000 119.000 118.462 0.538 19221 3569 1 4 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.227 0.098 19221 3570 1 4 . 1 1 96 96 LYS C C 96 175.903 175.903 175.936 -0.033 19221 3571 1 4 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.833 -0.233 19221 3572 1 4 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.247 0.693 19221 3573 1 4 . 1 1 96 96 LYS H H 96 7.250 7.250 7.520 -0.270 19221 3574 1 4 . 1 1 97 97 ILE N N 97 120.530 120.530 121.005 -0.475 19221 3575 1 4 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.569 0.030 19221 3576 1 4 . 1 1 97 97 ILE C C 97 173.784 173.784 174.147 -0.363 19221 3577 1 4 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.902 -0.490 19221 3578 1 4 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.069 -2.510 19221 3579 1 4 . 1 1 97 97 ILE H H 97 7.713 7.713 7.409 0.304 19221 3580 1 4 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.278 0.015 19221 3581 1 4 . 1 1 98 98 PRO C C 98 178.885 178.885 178.250 0.635 19221 3582 1 4 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.825 0.495 19221 3583 1 4 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.103 0.167 19221 3584 1 4 . 1 1 99 99 ILE N N 99 115.600 115.600 118.939 -3.339 19221 3585 1 4 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.894 0.398 19221 3586 1 4 . 1 1 99 99 ILE C C 99 177.025 177.025 177.571 -0.546 19221 3587 1 4 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.684 -0.904 19221 3588 1 4 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.991 0.089 19221 3589 1 4 . 1 1 99 99 ILE H H 99 8.552 8.552 7.863 0.689 19221 3590 1 4 . 1 1 100 100 LEU N N 100 119.430 119.430 120.918 -1.488 19221 3591 1 4 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.085 0.138 19221 3592 1 4 . 1 1 100 100 LEU C C 100 178.223 178.223 179.450 -1.227 19221 3593 1 4 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.998 -0.888 19221 3594 1 4 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.261 0.959 19221 3595 1 4 . 1 1 100 100 LEU H H 100 7.404 7.404 7.678 -0.274 19221 3596 1 4 . 1 1 101 101 ALA N N 101 121.390 121.390 121.308 0.082 19221 3597 1 4 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.970 -0.053 19221 3598 1 4 . 1 1 101 101 ALA C C 101 181.827 181.827 180.092 1.735 19221 3599 1 4 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.920 0.489 19221 3600 1 4 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.155 -0.205 19221 3601 1 4 . 1 1 101 101 ALA H H 101 7.839 7.839 8.221 -0.382 19221 3602 1 4 . 1 1 102 102 GLN N N 102 115.470 115.470 116.746 -1.276 19221 3603 1 4 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.035 0.042 19221 3604 1 4 . 1 1 102 102 GLN C C 102 176.572 176.572 176.833 -0.261 19221 3605 1 4 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.875 -0.295 19221 3606 1 4 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.010 -0.380 19221 3607 1 4 . 1 1 102 102 GLN H H 102 8.276 8.276 7.855 0.421 19221 3608 1 4 . 1 1 103 103 HIS N N 103 115.980 115.980 116.012 -0.032 19221 3609 1 4 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.904 0.220 19221 3610 1 4 . 1 1 103 103 HIS C C 103 175.326 175.326 174.494 0.832 19221 3611 1 4 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.753 1.597 19221 3612 1 4 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.429 1.561 19221 3613 1 4 . 1 1 103 103 HIS H H 103 7.450 7.450 7.742 -0.292 19221 3614 1 4 . 1 1 104 104 GLU N N 104 122.920 122.920 122.426 0.494 19221 3615 1 4 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.969 -0.156 19221 3616 1 4 . 1 1 104 104 GLU C C 104 177.960 177.960 178.010 -0.050 19221 3617 1 4 . 1 1 104 104 GLU CA C 104 61.510 61.510 61.097 0.412 19221 3618 1 4 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.617 -0.117 19221 3619 1 4 . 1 1 104 104 GLU H H 104 7.332 7.332 7.645 -0.313 19221 3620 1 4 . 1 1 105 105 SER N N 105 113.180 113.180 114.416 -1.236 19221 3621 1 4 . 1 1 105 105 SER HA H 105 4.234 4.234 4.230 0.004 19221 3622 1 4 . 1 1 105 105 SER C C 105 177.512 177.512 176.073 1.439 19221 3623 1 4 . 1 1 105 105 SER CA C 105 62.100 62.100 61.528 0.572 19221 3624 1 4 . 1 1 105 105 SER CB C 105 62.100 62.100 62.725 -0.625 19221 3625 1 4 . 1 1 105 105 SER H H 105 8.931 8.931 8.734 0.197 19221 3626 1 4 . 1 1 106 106 PHE N N 106 123.770 123.770 123.297 0.473 19221 3627 1 4 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.373 0.054 19221 3628 1 4 . 1 1 106 106 PHE C C 106 178.007 178.007 176.526 1.481 19221 3629 1 4 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.164 0.226 19221 3630 1 4 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.204 -0.074 19221 3631 1 4 . 1 1 106 106 PHE H H 106 8.040 8.040 8.008 0.032 19221 3632 1 4 . 1 1 107 107 LEU N N 107 121.397 121.397 120.607 0.790 19221 3633 1 4 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.013 -0.007 19221 3634 1 4 . 1 1 107 107 LEU C C 107 178.165 178.165 179.115 -0.950 19221 3635 1 4 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.196 0.084 19221 3636 1 4 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.506 0.663 19221 3637 1 4 . 1 1 107 107 LEU H H 107 8.481 8.481 8.941 -0.460 19221 3638 1 4 . 1 1 108 108 ARG N N 108 117.450 117.450 119.737 -2.287 19221 3639 1 4 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.933 0.206 19221 3640 1 4 . 1 1 108 108 ARG C C 108 178.343 178.343 178.600 -0.257 19221 3641 1 4 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.998 -0.418 19221 3642 1 4 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.189 -1.020 19221 3643 1 4 . 1 1 108 108 ARG H H 108 8.480 8.480 8.426 0.054 19221 3644 1 4 . 1 1 109 109 GLN N N 109 119.098 119.098 118.124 0.974 19221 3645 1 4 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.034 0.041 19221 3646 1 4 . 1 1 109 109 GLN CA C 109 59.295 59.295 58.329 0.966 19221 3647 1 4 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.017 1.491 19221 3648 1 4 . 1 1 109 109 GLN H H 109 7.886 7.886 8.400 -0.514 19221 3649 1 4 . 1 1 110 110 LYS N N 110 121.110 121.110 120.533 0.577 19221 3650 1 4 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.046 -0.058 19221 3651 1 4 . 1 1 110 110 LYS C C 110 178.368 178.368 179.213 -0.845 19221 3652 1 4 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.603 2.946 19221 3653 1 4 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.901 -1.641 19221 3654 1 4 . 1 1 110 110 LYS H H 110 8.356 8.356 8.142 0.214 19221 3655 1 4 . 1 1 111 111 ILE N N 111 116.870 116.870 120.508 -3.638 19221 3656 1 4 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.839 0.059 19221 3657 1 4 . 1 1 111 111 ILE C C 111 178.036 178.036 177.736 0.300 19221 3658 1 4 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.590 0.511 19221 3659 1 4 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.657 -0.742 19221 3660 1 4 . 1 1 111 111 ILE H H 111 7.848 7.848 8.372 -0.524 19221 3661 1 4 . 1 1 112 112 CYS N N 112 123.990 123.990 118.491 5.499 19221 3662 1 4 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.081 -0.000 19221 3663 1 4 . 1 1 112 112 CYS C C 112 176.276 176.276 176.545 -0.269 19221 3664 1 4 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.872 1.528 19221 3665 1 4 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.449 -0.079 19221 3666 1 4 . 1 1 112 112 CYS H H 112 7.473 7.473 7.291 0.182 19221 3667 1 4 . 1 1 113 113 LEU N N 113 120.218 120.218 121.418 -1.200 19221 3668 1 4 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.898 -0.055 19221 3669 1 4 . 1 1 113 113 LEU C C 113 178.584 178.584 179.297 -0.713 19221 3670 1 4 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.185 0.335 19221 3671 1 4 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.830 0.720 19221 3672 1 4 . 1 1 113 113 LEU H H 113 8.443 8.443 8.494 -0.051 19221 3673 1 4 . 1 1 114 114 MET N N 114 116.910 116.910 117.701 -0.791 19221 3674 1 4 . 1 1 114 114 MET HA H 114 3.952 3.952 4.245 -0.293 19221 3675 1 4 . 1 1 114 114 MET C C 114 178.724 178.724 177.912 0.812 19221 3676 1 4 . 1 1 114 114 MET CA C 114 60.070 60.070 58.915 1.155 19221 3677 1 4 . 1 1 114 114 MET CB C 114 32.910 32.910 32.773 0.137 19221 3678 1 4 . 1 1 114 114 MET H H 114 8.840 8.840 8.392 0.448 19221 3679 1 4 . 1 1 115 115 THR N N 115 115.670 115.670 117.102 -1.432 19221 3680 1 4 . 1 1 115 115 THR HA H 115 4.083 4.083 4.029 0.054 19221 3681 1 4 . 1 1 115 115 THR C C 115 177.434 177.434 176.378 1.056 19221 3682 1 4 . 1 1 115 115 THR CA C 115 66.740 66.740 67.420 -0.680 19221 3683 1 4 . 1 1 115 115 THR CB C 115 68.630 68.630 68.388 0.242 19221 3684 1 4 . 1 1 115 115 THR H H 115 8.095 8.095 8.006 0.089 19221 3685 1 4 . 1 1 116 116 LEU N N 116 125.420 125.420 123.117 2.303 19221 3686 1 4 . 1 1 116 116 LEU HA H 116 3.855 3.855 3.983 -0.128 19221 3687 1 4 . 1 1 116 116 LEU C C 116 176.903 176.903 177.575 -0.672 19221 3688 1 4 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.545 0.391 19221 3689 1 4 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.578 0.098 19221 3690 1 4 . 1 1 116 116 LEU H H 116 8.164 8.164 7.493 0.671 19221 3691 1 4 . 1 1 117 117 ILE N N 117 114.740 114.740 116.804 -2.064 19221 3692 1 4 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.635 -0.016 19221 3693 1 4 . 1 1 117 117 ILE C C 117 177.806 177.806 177.361 0.445 19221 3694 1 4 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.129 -0.540 19221 3695 1 4 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.667 -1.307 19221 3696 1 4 . 1 1 117 117 ILE H H 117 8.032 8.032 7.169 0.863 19221 3697 1 4 . 1 1 118 118 GLU N N 118 121.200 121.200 120.577 0.623 19221 3698 1 4 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.115 0.085 19221 3699 1 4 . 1 1 118 118 GLU C C 118 178.314 178.314 178.807 -0.493 19221 3700 1 4 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.614 0.366 19221 3701 1 4 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.336 0.044 19221 3702 1 4 . 1 1 118 118 GLU H H 118 8.176 8.176 8.694 -0.518 19221 3703 1 4 . 1 1 119 119 THR N N 119 114.460 114.460 117.609 -3.149 19221 3704 1 4 . 1 1 119 119 THR HA H 119 3.917 3.917 4.030 -0.113 19221 3705 1 4 . 1 1 119 119 THR C C 119 175.551 175.551 176.609 -1.058 19221 3706 1 4 . 1 1 119 119 THR CA C 119 67.470 67.470 67.474 -0.004 19221 3707 1 4 . 1 1 119 119 THR CB C 119 69.110 69.110 68.477 0.633 19221 3708 1 4 . 1 1 119 119 THR H H 119 8.008 8.008 8.320 -0.312 19221 3709 1 4 . 1 1 120 120 VAL N N 120 118.050 118.050 121.563 -3.513 19221 3710 1 4 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.711 -0.091 19221 3711 1 4 . 1 1 120 120 VAL C C 120 178.213 178.213 177.335 0.878 19221 3712 1 4 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.357 -0.337 19221 3713 1 4 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.292 0.538 19221 3714 1 4 . 1 1 120 120 VAL H H 120 7.800 7.800 8.036 -0.236 19221 3715 1 4 . 1 1 121 121 PHE N N 121 118.360 118.360 120.148 -1.788 19221 3716 1 4 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.148 0.072 19221 3717 1 4 . 1 1 121 121 PHE C C 121 178.739 178.739 177.693 1.046 19221 3718 1 4 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.424 0.116 19221 3719 1 4 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.340 0.790 19221 3720 1 4 . 1 1 121 121 PHE H H 121 8.370 8.370 8.080 0.290 19221 3721 1 4 . 1 1 122 122 VAL N N 122 118.710 118.710 118.404 0.306 19221 3722 1 4 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.633 -0.008 19221 3723 1 4 . 1 1 122 122 VAL C C 122 178.247 178.247 177.458 0.789 19221 3724 1 4 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.226 0.624 19221 3725 1 4 . 1 1 122 122 VAL CB C 122 31.881 31.881 32.153 -0.272 19221 3726 1 4 . 1 1 122 122 VAL H H 122 8.959 8.959 8.487 0.472 19221 3727 1 4 . 1 1 123 123 LYS N N 123 115.960 115.960 116.618 -0.658 19221 3728 1 4 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.269 0.047 19221 3729 1 4 . 1 1 123 123 LYS C C 123 176.148 176.148 175.954 0.194 19221 3730 1 4 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.906 0.624 19221 3731 1 4 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.481 -0.451 19221 3732 1 4 . 1 1 123 123 LYS H H 123 7.688 7.688 8.018 -0.330 19221 3733 1 4 . 1 1 124 124 ASN N N 124 117.440 117.440 116.053 1.387 19221 3734 1 4 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.381 -0.037 19221 3735 1 4 . 1 1 124 124 ASN C C 124 174.205 174.205 174.581 -0.376 19221 3736 1 4 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.853 0.067 19221 3737 1 4 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.192 -0.122 19221 3738 1 4 . 1 1 124 124 ASN H H 124 7.560 7.560 7.675 -0.115 19221 3739 1 4 . 1 1 125 125 ILE N N 125 116.780 116.780 116.569 0.211 19221 3740 1 4 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.134 -0.024 19221 3741 1 4 . 1 1 125 125 ILE C C 125 175.909 175.909 176.089 -0.180 19221 3742 1 4 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.515 0.055 19221 3743 1 4 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.234 1.736 19221 3744 1 4 . 1 1 125 125 ILE H H 125 7.658 7.658 7.468 0.190 19221 3745 1 4 . 1 1 126 126 ARG N N 126 122.400 122.400 121.869 0.531 19221 3746 1 4 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.571 0.060 19221 3747 1 4 . 1 1 126 126 ARG C C 126 175.296 175.296 175.945 -0.649 19221 3748 1 4 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.646 -0.436 19221 3749 1 4 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.363 -0.146 19221 3750 1 4 . 1 1 126 126 ARG H H 126 8.658 8.658 8.612 0.046 19221 3751 1 4 . 1 1 127 127 MET N N 127 119.870 119.870 118.972 0.898 19221 3752 1 4 . 1 1 127 127 MET HA H 127 5.412 5.412 5.345 0.067 19221 3753 1 4 . 1 1 127 127 MET C C 127 174.169 174.169 174.209 -0.040 19221 3754 1 4 . 1 1 127 127 MET CA C 127 55.130 55.130 53.983 1.147 19221 3755 1 4 . 1 1 127 127 MET CB C 127 35.300 35.300 35.723 -0.423 19221 3756 1 4 . 1 1 127 127 MET H H 127 7.487 7.487 7.662 -0.175 19221 3757 1 4 . 1 1 128 128 LEU N N 128 124.940 124.940 125.617 -0.677 19221 3758 1 4 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.974 -0.084 19221 3759 1 4 . 1 1 128 128 LEU C C 128 174.857 174.857 175.143 -0.286 19221 3760 1 4 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.349 0.821 19221 3761 1 4 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.005 -0.915 19221 3762 1 4 . 1 1 128 128 LEU H H 128 8.961 8.961 8.688 0.273 19221 3763 1 4 . 1 1 129 129 SER N N 129 119.080 119.080 114.215 4.865 19221 3764 1 4 . 1 1 129 129 SER HA H 129 5.503 5.503 5.337 0.166 19221 3765 1 4 . 1 1 129 129 SER C C 129 176.225 176.225 175.795 0.430 19221 3766 1 4 . 1 1 129 129 SER CA C 129 56.630 56.630 56.642 -0.012 19221 3767 1 4 . 1 1 129 129 SER CB C 129 66.030 66.030 65.437 0.593 19221 3768 1 4 . 1 1 129 129 SER H H 129 9.512 9.512 8.163 1.349 19221 3769 1 4 . 1 1 130 130 PHE N N 130 120.530 120.530 122.230 -1.700 19221 3770 1 4 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.112 0.328 19221 3771 1 4 . 1 1 130 130 PHE C C 130 179.046 179.046 177.561 1.485 19221 3772 1 4 . 1 1 130 130 PHE CA C 130 58.730 58.730 62.538 -3.808 19221 3773 1 4 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.649 -2.129 19221 3774 1 4 . 1 1 130 130 PHE H H 130 8.712 8.712 9.273 -0.561 19221 3775 1 4 . 1 1 131 131 GLU N N 131 121.180 121.180 119.808 1.372 19221 3776 1 4 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.805 0.220 19221 3777 1 4 . 1 1 131 131 GLU C C 131 178.039 178.039 177.996 0.043 19221 3778 1 4 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.011 -0.141 19221 3779 1 4 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.404 0.066 19221 3780 1 4 . 1 1 131 131 GLU H H 131 8.961 8.961 8.601 0.360 19221 3781 1 4 . 1 1 132 132 ASP N N 132 120.930 120.930 119.786 1.144 19221 3782 1 4 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.417 -0.020 19221 3783 1 4 . 1 1 132 132 ASP C C 132 180.369 180.369 178.725 1.644 19221 3784 1 4 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.145 0.545 19221 3785 1 4 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.836 -0.096 19221 3786 1 4 . 1 1 132 132 ASP H H 132 8.369 8.369 7.913 0.456 19221 3787 1 4 . 1 1 133 133 ILE N N 133 120.360 120.360 119.733 0.627 19221 3788 1 4 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.595 -0.086 19221 3789 1 4 . 1 1 133 133 ILE C C 133 178.895 178.895 178.124 0.771 19221 3790 1 4 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.060 1.220 19221 3791 1 4 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.723 -0.193 19221 3792 1 4 . 1 1 133 133 ILE H H 133 8.062 8.062 8.251 -0.189 19221 3793 1 4 . 1 1 134 134 SER N N 134 120.050 120.050 116.755 3.295 19221 3794 1 4 . 1 1 134 134 SER HA H 134 4.074 4.074 4.224 -0.150 19221 3795 1 4 . 1 1 134 134 SER C C 134 176.934 176.934 176.222 0.712 19221 3796 1 4 . 1 1 134 134 SER CA C 134 61.240 61.240 61.296 -0.056 19221 3797 1 4 . 1 1 134 134 SER CB C 134 63.400 63.400 62.919 0.481 19221 3798 1 4 . 1 1 134 134 SER H H 134 8.823 8.823 8.244 0.579 19221 3799 1 4 . 1 1 135 135 LYS N N 135 119.060 119.060 120.747 -1.687 19221 3800 1 4 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.808 0.122 19221 3801 1 4 . 1 1 135 135 LYS C C 135 178.986 178.986 178.161 0.825 19221 3802 1 4 . 1 1 135 135 LYS CA C 135 59.270 59.270 59.032 0.237 19221 3803 1 4 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.361 0.109 19221 3804 1 4 . 1 1 135 135 LYS H H 135 8.258 8.258 7.858 0.400 19221 3805 1 4 . 1 1 136 136 ALA N N 136 118.350 118.350 120.291 -1.941 19221 3806 1 4 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.161 0.041 19221 3807 1 4 . 1 1 136 136 ALA C C 136 178.653 178.653 178.588 0.065 19221 3808 1 4 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.704 -0.224 19221 3809 1 4 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.302 -0.462 19221 3810 1 4 . 1 1 136 136 ALA H H 136 7.538 7.538 7.738 -0.200 19221 3811 1 4 . 1 1 137 137 THR N N 137 101.770 101.770 108.161 -6.391 19221 3812 1 4 . 1 1 137 137 THR HA H 137 4.274 4.274 4.011 0.263 19221 3813 1 4 . 1 1 137 137 THR C C 137 172.932 172.932 175.431 -2.499 19221 3814 1 4 . 1 1 137 137 THR CA C 137 61.990 61.990 63.824 -1.834 19221 3815 1 4 . 1 1 137 137 THR CB C 137 71.200 71.200 69.700 1.500 19221 3816 1 4 . 1 1 137 137 THR H H 137 7.777 7.777 8.090 -0.313 19221 3817 1 4 . 1 1 138 138 HIS N N 138 113.660 113.660 118.739 -5.079 19221 3818 1 4 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.114 -0.155 19221 3819 1 4 . 1 1 138 138 HIS C C 138 173.700 173.700 173.752 -0.052 19221 3820 1 4 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.494 -1.164 19221 3821 1 4 . 1 1 138 138 HIS CB C 138 25.410 25.410 28.118 -2.708 19221 3822 1 4 . 1 1 138 138 HIS H H 138 7.567 7.567 7.811 -0.244 19221 3823 1 4 . 1 1 139 139 LEU N N 139 120.070 120.070 119.980 0.090 19221 3824 1 4 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.861 -0.018 19221 3825 1 4 . 1 1 139 139 LEU C C 139 174.376 174.376 175.261 -0.885 19221 3826 1 4 . 1 1 139 139 LEU CA C 139 51.870 51.870 51.696 0.174 19221 3827 1 4 . 1 1 139 139 LEU CB C 139 44.750 44.750 43.489 1.261 19221 3828 1 4 . 1 1 139 139 LEU H H 139 7.513 7.513 7.490 0.023 19221 3829 1 4 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.621 -0.230 19221 3830 1 4 . 1 1 140 140 PRO C C 140 177.985 177.985 178.255 -0.270 19221 3831 1 4 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.350 0.040 19221 3832 1 4 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.447 -0.377 19221 3833 1 4 . 1 1 141 141 LYS N N 141 123.930 123.930 121.013 2.917 19221 3834 1 4 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.910 -0.091 19221 3835 1 4 . 1 1 141 141 LYS C C 141 178.083 178.083 178.151 -0.068 19221 3836 1 4 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.469 0.361 19221 3837 1 4 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.098 -0.208 19221 3838 1 4 . 1 1 141 141 LYS H H 141 8.950 8.950 8.512 0.438 19221 3839 1 4 . 1 1 142 142 ASP N N 142 114.510 114.510 115.699 -1.189 19221 3840 1 4 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.454 0.041 19221 3841 1 4 . 1 1 142 142 ASP C C 142 176.656 176.656 177.244 -0.588 19221 3842 1 4 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.574 -0.984 19221 3843 1 4 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.705 -0.965 19221 3844 1 4 . 1 1 142 142 ASP H H 142 8.491 8.491 8.484 0.007 19221 3845 1 4 . 1 1 143 143 ASN N N 143 116.400 116.400 116.130 0.270 19221 3846 1 4 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.855 0.211 19221 3847 1 4 . 1 1 143 143 ASN C C 143 175.954 175.954 177.234 -1.280 19221 3848 1 4 . 1 1 143 143 ASN CA C 143 53.220 53.220 54.644 -1.424 19221 3849 1 4 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.190 0.760 19221 3850 1 4 . 1 1 143 143 ASN H H 143 8.191 8.191 7.955 0.236 19221 3851 1 4 . 1 1 144 144 VAL N N 144 120.490 120.490 120.818 -0.328 19221 3852 1 4 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.523 -0.201 19221 3853 1 4 . 1 1 144 144 VAL C C 144 176.423 176.423 176.646 -0.223 19221 3854 1 4 . 1 1 144 144 VAL CA C 144 66.990 66.990 66.437 0.553 19221 3855 1 4 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.457 -0.017 19221 3856 1 4 . 1 1 144 144 VAL H H 144 7.472 7.472 8.034 -0.562 19221 3857 1 4 . 1 1 145 145 GLU N N 145 122.340 122.340 119.703 2.637 19221 3858 1 4 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.930 -0.669 19221 3859 1 4 . 1 1 145 145 GLU C C 145 177.853 177.853 178.489 -0.636 19221 3860 1 4 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.731 1.099 19221 3861 1 4 . 1 1 145 145 GLU CB C 145 28.810 28.810 29.080 -0.270 19221 3862 1 4 . 1 1 145 145 GLU H H 145 9.141 9.141 8.442 0.699 19221 3863 1 4 . 1 1 146 146 HIS N N 146 116.970 116.970 118.351 -1.381 19221 3864 1 4 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.394 -0.220 19221 3865 1 4 . 1 1 146 146 HIS C C 146 177.947 177.947 177.720 0.227 19221 3866 1 4 . 1 1 146 146 HIS CA C 146 59.540 59.540 59.148 0.392 19221 3867 1 4 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.690 0.760 19221 3868 1 4 . 1 1 146 146 HIS H H 146 8.162 8.162 7.699 0.463 19221 3869 1 4 . 1 1 147 147 LEU N N 147 120.670 120.670 120.061 0.609 19221 3870 1 4 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.142 -0.182 19221 3871 1 4 . 1 1 147 147 LEU C C 147 178.427 178.427 179.384 -0.957 19221 3872 1 4 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.916 0.354 19221 3873 1 4 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.100 0.636 19221 3874 1 4 . 1 1 147 147 LEU H H 147 7.336 7.336 7.452 -0.116 19221 3875 1 4 . 1 1 148 148 VAL N N 148 118.060 118.060 117.038 1.022 19221 3876 1 4 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.628 -0.405 19221 3877 1 4 . 1 1 148 148 VAL C C 148 177.801 177.801 178.091 -0.290 19221 3878 1 4 . 1 1 148 148 VAL CA C 148 66.961 66.961 66.037 0.924 19221 3879 1 4 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.601 0.409 19221 3880 1 4 . 1 1 148 148 VAL H H 148 8.172 8.172 8.051 0.121 19221 3881 1 4 . 1 1 149 149 MET N N 149 117.770 117.770 119.532 -1.762 19221 3882 1 4 . 1 1 149 149 MET HA H 149 4.123 4.123 4.074 0.049 19221 3883 1 4 . 1 1 149 149 MET C C 149 179.823 179.823 178.794 1.029 19221 3884 1 4 . 1 1 149 149 MET CA C 149 58.630 58.630 59.360 -0.730 19221 3885 1 4 . 1 1 149 149 MET CB C 149 31.496 31.496 32.075 -0.579 19221 3886 1 4 . 1 1 149 149 MET H H 149 8.585 8.585 8.105 0.480 19221 3887 1 4 . 1 1 150 150 ARG N N 150 121.900 121.900 119.705 2.195 19221 3888 1 4 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.033 0.061 19221 3889 1 4 . 1 1 150 150 ARG C C 150 177.928 177.928 178.345 -0.417 19221 3890 1 4 . 1 1 150 150 ARG CA C 150 58.150 58.150 58.960 -0.810 19221 3891 1 4 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.627 -0.877 19221 3892 1 4 . 1 1 150 150 ARG H H 150 8.160 8.160 8.290 -0.130 19221 3893 1 4 . 1 1 151 151 ALA N N 151 121.710 121.710 122.287 -0.577 19221 3894 1 4 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.943 -0.145 19221 3895 1 4 . 1 1 151 151 ALA C C 151 179.518 179.518 179.506 0.012 19221 3896 1 4 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.121 0.619 19221 3897 1 4 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.243 -0.353 19221 3898 1 4 . 1 1 151 151 ALA H H 151 8.165 8.165 8.086 0.079 19221 3899 1 4 . 1 1 152 152 ILE N N 152 118.590 118.590 118.194 0.396 19221 3900 1 4 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.741 0.641 19221 3901 1 4 . 1 1 152 152 ILE C C 152 181.439 181.439 179.205 2.234 19221 3902 1 4 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.639 -0.079 19221 3903 1 4 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.861 0.839 19221 3904 1 4 . 1 1 152 152 ILE H H 152 8.331 8.331 7.982 0.349 19221 3905 1 4 . 1 1 153 153 SER N N 153 120.250 120.250 116.743 3.507 19221 3906 1 4 . 1 1 153 153 SER HA H 153 4.279 4.279 4.220 0.059 19221 3907 1 4 . 1 1 153 153 SER C C 153 176.745 176.745 176.091 0.654 19221 3908 1 4 . 1 1 153 153 SER CA C 153 62.040 62.040 61.630 0.410 19221 3909 1 4 . 1 1 153 153 SER CB C 153 62.930 62.930 63.133 -0.203 19221 3910 1 4 . 1 1 153 153 SER H H 153 8.756 8.756 8.110 0.646 19221 3911 1 4 . 1 1 154 154 LEU N N 154 119.480 119.480 118.068 1.412 19221 3912 1 4 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.216 0.129 19221 3913 1 4 . 1 1 154 154 LEU C C 154 177.351 177.351 177.651 -0.300 19221 3914 1 4 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.614 -0.159 19221 3915 1 4 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.996 2.004 19221 3916 1 4 . 1 1 154 154 LEU H H 154 8.129 8.129 7.980 0.149 19221 3917 1 4 . 1 1 155 155 GLY N N 155 106.990 106.990 106.261 0.729 19221 3918 1 4 . 1 1 155 155 GLY C C 155 174.867 174.867 175.389 -0.522 19221 3919 1 4 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.067 -0.267 19221 3920 1 4 . 1 1 155 155 GLY H H 155 8.023 8.023 7.682 0.341 19221 3921 1 4 . 1 1 156 156 LEU N N 156 116.510 116.510 117.778 -1.268 19221 3922 1 4 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.110 0.150 19221 3923 1 4 . 1 1 156 156 LEU C C 156 175.387 175.387 176.407 -1.020 19221 3924 1 4 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.163 -0.232 19221 3925 1 4 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.088 1.132 19221 3926 1 4 . 1 1 156 156 LEU H H 156 8.101 8.101 7.444 0.657 19221 3927 1 4 . 1 1 157 157 LEU N N 157 112.790 112.790 110.061 2.729 19221 3928 1 4 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.306 -0.306 19221 3929 1 4 . 1 1 157 157 LEU C C 157 175.382 175.382 174.905 0.477 19221 3930 1 4 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.201 0.439 19221 3931 1 4 . 1 1 157 157 LEU CB C 157 46.560 46.560 46.006 0.554 19221 3932 1 4 . 1 1 157 157 LEU H H 157 7.194 7.194 7.302 -0.108 19221 3933 1 4 . 1 1 158 158 LYS N N 158 121.010 121.010 120.004 1.006 19221 3934 1 4 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.787 0.008 19221 3935 1 4 . 1 1 158 158 LYS C C 158 175.461 175.461 175.653 -0.192 19221 3936 1 4 . 1 1 158 158 LYS CA C 158 56.060 56.060 54.625 1.435 19221 3937 1 4 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.323 2.867 19221 3938 1 4 . 1 1 158 158 LYS H H 158 9.056 9.056 8.561 0.495 19221 3939 1 4 . 1 1 159 159 GLY N N 159 109.800 109.800 111.064 -1.264 19221 3940 1 4 . 1 1 159 159 GLY C C 159 170.992 170.992 172.830 -1.838 19221 3941 1 4 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.371 0.769 19221 3942 1 4 . 1 1 159 159 GLY H H 159 8.287 8.287 8.027 0.260 19221 3943 1 4 . 1 1 160 160 SER N N 160 112.940 112.940 113.481 -0.541 19221 3944 1 4 . 1 1 160 160 SER HA H 160 4.780 4.780 4.821 -0.041 19221 3945 1 4 . 1 1 160 160 SER C C 160 172.525 172.525 172.999 -0.474 19221 3946 1 4 . 1 1 160 160 SER CA C 160 56.840 56.840 57.472 -0.632 19221 3947 1 4 . 1 1 160 160 SER CB C 160 65.660 65.660 66.522 -0.862 19221 3948 1 4 . 1 1 160 160 SER H H 160 8.847 8.847 8.970 -0.123 19221 3949 1 4 . 1 1 161 161 ILE N N 161 123.020 123.020 121.691 1.329 19221 3950 1 4 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.359 0.047 19221 3951 1 4 . 1 1 161 161 ILE C C 161 174.457 174.457 175.298 -0.841 19221 3952 1 4 . 1 1 161 161 ILE CA C 161 61.419 61.419 59.876 1.543 19221 3953 1 4 . 1 1 161 161 ILE CB C 161 40.228 40.228 39.271 0.957 19221 3954 1 4 . 1 1 161 161 ILE H H 161 8.867 8.867 8.550 0.317 19221 3955 1 4 . 1 1 162 162 ASP N N 162 128.130 128.130 125.383 2.747 19221 3956 1 4 . 1 1 162 162 ASP HA H 162 4.916 4.916 5.002 -0.086 19221 3957 1 4 . 1 1 162 162 ASP C C 162 176.575 176.575 176.856 -0.281 19221 3958 1 4 . 1 1 162 162 ASP CA C 162 51.740 51.740 53.012 -1.272 19221 3959 1 4 . 1 1 162 162 ASP CB C 162 41.140 41.140 41.000 0.140 19221 3960 1 4 . 1 1 162 162 ASP H H 162 8.955 8.955 8.827 0.128 19221 3961 1 4 . 1 1 163 163 GLN N N 163 123.480 123.480 119.157 4.323 19221 3962 1 4 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.477 0.376 19221 3963 1 4 . 1 1 163 163 GLN C C 163 177.627 177.627 177.138 0.489 19221 3964 1 4 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.414 0.796 19221 3965 1 4 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.097 0.823 19221 3966 1 4 . 1 1 163 163 GLN H H 163 8.982 8.982 8.533 0.449 19221 3967 1 4 . 1 1 164 164 VAL N N 164 119.220 119.220 119.837 -0.617 19221 3968 1 4 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.671 0.012 19221 3969 1 4 . 1 1 164 164 VAL C C 164 177.519 177.519 177.233 0.286 19221 3970 1 4 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.905 0.865 19221 3971 1 4 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.491 0.439 19221 3972 1 4 . 1 1 164 164 VAL H H 164 7.974 7.974 8.044 -0.070 19221 3973 1 4 . 1 1 165 165 ASN N N 165 114.430 114.430 116.323 -1.893 19221 3974 1 4 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.697 -0.096 19221 3975 1 4 . 1 1 165 165 ASN C C 165 172.795 172.795 174.765 -1.970 19221 3976 1 4 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.557 -0.657 19221 3977 1 4 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.297 -0.467 19221 3978 1 4 . 1 1 165 165 ASN H H 165 7.502 7.502 7.796 -0.294 19221 3979 1 4 . 1 1 166 166 GLU N N 166 116.970 116.970 113.428 3.542 19221 3980 1 4 . 1 1 166 166 GLU HA H 166 2.014 2.014 3.659 -1.645 19221 3981 1 4 . 1 1 166 166 GLU C C 166 174.562 174.562 174.233 0.329 19221 3982 1 4 . 1 1 166 166 GLU CA C 166 56.228 56.228 57.044 -0.816 19221 3983 1 4 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.473 -0.657 19221 3984 1 4 . 1 1 166 166 GLU H H 166 7.268 7.268 7.957 -0.689 19221 3985 1 4 . 1 1 167 167 LEU N N 167 117.360 117.360 117.712 -0.352 19221 3986 1 4 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.461 -0.463 19221 3987 1 4 . 1 1 167 167 LEU C C 167 175.659 175.659 175.889 -0.230 19221 3988 1 4 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.272 0.398 19221 3989 1 4 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.486 0.825 19221 3990 1 4 . 1 1 167 167 LEU H H 167 7.699 7.699 7.930 -0.231 19221 3991 1 4 . 1 1 168 168 VAL N N 168 125.350 125.350 118.053 7.297 19221 3992 1 4 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.671 0.168 19221 3993 1 4 . 1 1 168 168 VAL C C 168 174.792 174.792 174.771 0.021 19221 3994 1 4 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.084 0.046 19221 3995 1 4 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.060 -1.711 19221 3996 1 4 . 1 1 168 168 VAL H H 168 9.445 9.445 9.103 0.342 19221 3997 1 4 . 1 1 169 169 THR N N 169 123.020 123.020 121.960 1.060 19221 3998 1 4 . 1 1 169 169 THR HA H 169 4.869 4.869 5.194 -0.325 19221 3999 1 4 . 1 1 169 169 THR C C 169 173.876 173.876 173.442 0.434 19221 4000 1 4 . 1 1 169 169 THR CA C 169 61.580 61.580 61.421 0.159 19221 4001 1 4 . 1 1 169 169 THR CB C 169 69.750 69.750 70.028 -0.279 19221 4002 1 4 . 1 1 169 169 THR H H 169 8.824 8.824 8.976 -0.152 19221 4003 1 4 . 1 1 170 170 ILE N N 170 126.700 126.700 126.724 -0.024 19221 4004 1 4 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.642 -0.100 19221 4005 1 4 . 1 1 170 170 ILE C C 170 175.672 175.672 175.051 0.621 19221 4006 1 4 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.120 0.210 19221 4007 1 4 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.996 -1.386 19221 4008 1 4 . 1 1 170 170 ILE H H 170 8.911 8.911 8.720 0.191 19221 4009 1 4 . 1 1 171 171 SER N N 171 122.780 122.780 118.783 3.997 19221 4010 1 4 . 1 1 171 171 SER HA H 171 4.670 4.670 4.751 -0.081 19221 4011 1 4 . 1 1 171 171 SER C C 171 174.700 174.700 173.627 1.073 19221 4012 1 4 . 1 1 171 171 SER CA C 171 58.280 58.280 58.375 -0.095 19221 4013 1 4 . 1 1 171 171 SER CB C 171 64.560 64.560 65.549 -0.989 19221 4014 1 4 . 1 1 171 171 SER H H 171 9.242 9.242 9.171 0.071 19221 4015 1 4 . 1 1 172 172 TRP N N 172 123.970 123.970 120.496 3.474 19221 4016 1 4 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.908 -0.273 19221 4017 1 4 . 1 1 172 172 TRP C C 172 172.618 172.618 173.080 -0.462 19221 4018 1 4 . 1 1 172 172 TRP CA C 172 58.910 58.910 57.910 1.000 19221 4019 1 4 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.066 -0.416 19221 4020 1 4 . 1 1 172 172 TRP H H 172 7.929 7.929 7.524 0.405 19221 4021 1 4 . 1 1 173 173 VAL N N 173 123.660 123.660 123.473 0.187 19221 4022 1 4 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.233 -0.103 19221 4023 1 4 . 1 1 173 173 VAL C C 173 170.746 170.746 173.548 -2.802 19221 4024 1 4 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.938 -0.838 19221 4025 1 4 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.726 0.494 19221 4026 1 4 . 1 1 173 173 VAL H H 173 6.764 6.764 7.713 -0.949 19221 4027 1 4 . 1 1 174 174 GLN N N 174 126.430 126.430 127.023 -0.593 19221 4028 1 4 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.640 -0.034 19221 4029 1 4 . 1 1 174 174 GLN C C 174 172.955 172.955 174.327 -1.372 19221 4030 1 4 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.551 -0.501 19221 4031 1 4 . 1 1 174 174 GLN CB C 174 29.760 29.760 29.357 0.403 19221 4032 1 4 . 1 1 174 174 GLN H H 174 7.071 7.071 7.954 -0.883 19221 4033 1 4 . 1 1 175 175 PRO HA H 175 3.861 3.861 3.955 -0.094 19221 4034 1 4 . 1 1 175 175 PRO C C 175 175.955 175.955 176.787 -0.832 19221 4035 1 4 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.074 -0.324 19221 4036 1 4 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.344 0.056 19221 4037 1 5 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.350 -0.210 19221 4038 1 5 . 1 1 2 2 LYS CA C 2 56.090 56.090 58.593 -2.503 19221 4039 1 5 . 1 1 2 2 LYS CB C 2 32.930 32.930 32.697 0.233 19221 4040 1 5 . 1 1 4 4 ASP C C 4 176.140 176.140 178.283 -2.143 19221 4041 1 5 . 1 1 4 4 ASP CA C 4 55.530 55.530 57.045 -1.515 19221 4042 1 5 . 1 1 4 4 ASP CB C 4 41.980 41.980 40.858 1.122 19221 4043 1 5 . 1 1 5 5 PHE N N 5 122.270 122.270 117.752 4.518 19221 4044 1 5 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.319 -0.140 19221 4045 1 5 . 1 1 5 5 PHE C C 5 177.706 177.706 177.581 0.125 19221 4046 1 5 . 1 1 5 5 PHE CA C 5 61.880 61.880 62.281 -0.401 19221 4047 1 5 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.090 0.811 19221 4048 1 5 . 1 1 5 5 PHE H H 5 7.853 7.853 8.454 -0.601 19221 4049 1 5 . 1 1 6 6 ASN N N 6 114.920 114.920 118.373 -3.453 19221 4050 1 5 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.449 -0.048 19221 4051 1 5 . 1 1 6 6 ASN C C 6 176.990 176.990 177.592 -0.602 19221 4052 1 5 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.416 0.054 19221 4053 1 5 . 1 1 6 6 ASN CB C 6 39.223 39.223 37.999 1.224 19221 4054 1 5 . 1 1 6 6 ASN H H 6 8.051 8.051 8.625 -0.574 19221 4055 1 5 . 1 1 7 7 SER N N 7 112.970 112.970 117.593 -4.623 19221 4056 1 5 . 1 1 7 7 SER HA H 7 4.435 4.435 4.250 0.185 19221 4057 1 5 . 1 1 7 7 SER C C 7 177.780 177.780 176.861 0.919 19221 4058 1 5 . 1 1 7 7 SER CA C 7 61.440 61.440 61.610 -0.170 19221 4059 1 5 . 1 1 7 7 SER CB C 7 62.770 62.770 63.183 -0.413 19221 4060 1 5 . 1 1 7 7 SER H H 7 8.041 8.041 8.159 -0.118 19221 4061 1 5 . 1 1 8 8 PHE N N 8 123.560 123.560 123.736 -0.176 19221 4062 1 5 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.225 -0.158 19221 4063 1 5 . 1 1 8 8 PHE C C 8 177.959 177.959 177.111 0.848 19221 4064 1 5 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.519 0.591 19221 4065 1 5 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.285 -0.319 19221 4066 1 5 . 1 1 8 8 PHE H H 8 8.364 8.364 8.559 -0.195 19221 4067 1 5 . 1 1 9 9 TYR N N 9 122.550 122.550 121.484 1.066 19221 4068 1 5 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.017 -0.017 19221 4069 1 5 . 1 1 9 9 TYR C C 9 176.360 176.360 176.707 -0.347 19221 4070 1 5 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.188 -0.179 19221 4071 1 5 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.373 -0.173 19221 4072 1 5 . 1 1 9 9 TYR H H 9 8.230 8.230 8.996 -0.766 19221 4073 1 5 . 1 1 10 10 TYR N N 10 115.490 115.490 119.347 -3.857 19221 4074 1 5 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.993 0.113 19221 4075 1 5 . 1 1 10 10 TYR C C 10 180.280 180.280 177.581 2.699 19221 4076 1 5 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.463 1.057 19221 4077 1 5 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.865 -0.935 19221 4078 1 5 . 1 1 10 10 TYR H H 10 7.958 7.958 8.385 -0.427 19221 4079 1 5 . 1 1 11 11 THR N N 11 115.140 115.140 116.314 -1.174 19221 4080 1 5 . 1 1 11 11 THR HA H 11 3.934 3.934 3.703 0.231 19221 4081 1 5 . 1 1 11 11 THR CA C 11 66.560 66.560 66.876 -0.317 19221 4082 1 5 . 1 1 11 11 THR CB C 11 68.750 68.750 67.838 0.911 19221 4083 1 5 . 1 1 11 11 THR H H 11 8.806 8.806 8.600 0.206 19221 4084 1 5 . 1 1 12 12 SER N N 12 120.384 120.384 118.444 1.940 19221 4085 1 5 . 1 1 12 12 SER HA H 12 3.346 3.346 4.119 -0.773 19221 4086 1 5 . 1 1 12 12 SER C C 12 175.891 175.891 176.413 -0.522 19221 4087 1 5 . 1 1 12 12 SER CA C 12 62.740 62.740 62.365 0.375 19221 4088 1 5 . 1 1 12 12 SER CB C 12 62.580 62.580 62.741 -0.161 19221 4089 1 5 . 1 1 12 12 SER H H 12 8.151 8.151 8.072 0.079 19221 4090 1 5 . 1 1 13 13 LEU N N 13 121.640 121.640 121.972 -0.332 19221 4091 1 5 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.851 -0.050 19221 4092 1 5 . 1 1 13 13 LEU C C 13 180.374 180.374 178.754 1.620 19221 4093 1 5 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.815 0.535 19221 4094 1 5 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.431 -0.021 19221 4095 1 5 . 1 1 13 13 LEU H H 13 7.893 7.893 7.794 0.099 19221 4096 1 5 . 1 1 14 14 LEU N N 14 120.470 120.470 120.193 0.277 19221 4097 1 5 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.718 0.443 19221 4098 1 5 . 1 1 14 14 LEU C C 14 179.880 179.880 178.651 1.229 19221 4099 1 5 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.986 0.014 19221 4100 1 5 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.567 -0.017 19221 4101 1 5 . 1 1 14 14 LEU H H 14 7.528 7.528 8.212 -0.684 19221 4102 1 5 . 1 1 15 15 TYR N N 15 122.257 122.257 120.959 1.298 19221 4103 1 5 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.245 0.020 19221 4104 1 5 . 1 1 15 15 TYR C C 15 177.033 177.033 178.175 -1.142 19221 4105 1 5 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.135 -0.405 19221 4106 1 5 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.584 -0.484 19221 4107 1 5 . 1 1 15 15 TYR H H 15 8.135 8.135 8.409 -0.274 19221 4108 1 5 . 1 1 16 16 LEU N N 16 118.440 118.440 119.281 -0.841 19221 4109 1 5 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.916 -0.111 19221 4110 1 5 . 1 1 16 16 LEU C C 16 179.055 179.055 178.768 0.287 19221 4111 1 5 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.762 -0.549 19221 4112 1 5 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.417 0.648 19221 4113 1 5 . 1 1 16 16 LEU H H 16 8.452 8.452 7.899 0.553 19221 4114 1 5 . 1 1 17 17 SER N N 17 114.450 114.450 115.545 -1.095 19221 4115 1 5 . 1 1 17 17 SER HA H 17 4.430 4.430 4.312 0.118 19221 4116 1 5 . 1 1 17 17 SER C C 17 175.197 175.197 175.410 -0.213 19221 4117 1 5 . 1 1 17 17 SER CA C 17 61.040 61.040 61.164 -0.124 19221 4118 1 5 . 1 1 17 17 SER CB C 17 63.460 63.460 63.290 0.170 19221 4119 1 5 . 1 1 17 17 SER H H 17 7.848 7.848 8.225 -0.377 19221 4120 1 5 . 1 1 18 18 THR N N 18 110.850 110.850 110.581 0.269 19221 4121 1 5 . 1 1 18 18 THR HA H 18 4.452 4.452 4.311 0.141 19221 4122 1 5 . 1 1 18 18 THR C C 18 174.439 174.439 174.120 0.319 19221 4123 1 5 . 1 1 18 18 THR CA C 18 61.421 61.421 60.992 0.429 19221 4124 1 5 . 1 1 18 18 THR CB C 18 69.940 69.940 69.621 0.319 19221 4125 1 5 . 1 1 18 18 THR H H 18 7.505 7.505 7.390 0.115 19221 4126 1 5 . 1 1 19 19 LEU N N 19 123.180 123.180 124.184 -1.004 19221 4127 1 5 . 1 1 19 19 LEU HA H 19 4.160 4.160 3.968 0.192 19221 4128 1 5 . 1 1 19 19 LEU C C 19 176.926 176.926 175.912 1.014 19221 4129 1 5 . 1 1 19 19 LEU CA C 19 55.290 55.290 56.192 -0.902 19221 4130 1 5 . 1 1 19 19 LEU CB C 19 42.448 42.448 41.892 0.556 19221 4131 1 5 . 1 1 19 19 LEU H H 19 7.095 7.095 7.334 -0.239 19221 4132 1 5 . 1 1 20 20 GLU N N 20 125.330 125.330 124.819 0.511 19221 4133 1 5 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.741 -0.133 19221 4134 1 5 . 1 1 20 20 GLU C C 20 175.915 175.915 174.665 1.250 19221 4135 1 5 . 1 1 20 20 GLU CA C 20 54.773 54.773 53.501 1.272 19221 4136 1 5 . 1 1 20 20 GLU CB C 20 29.590 29.590 31.734 -2.144 19221 4137 1 5 . 1 1 20 20 GLU H H 20 8.535 8.535 7.875 0.660 19221 4138 1 5 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.363 -0.030 19221 4139 1 5 . 1 1 21 21 PRO C C 21 177.196 177.196 176.853 0.343 19221 4140 1 5 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.897 -0.117 19221 4141 1 5 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.886 -0.036 19221 4142 1 5 . 1 1 22 22 SER N N 22 111.220 111.220 112.197 -0.977 19221 4143 1 5 . 1 1 22 22 SER HA H 22 4.398 4.398 4.315 0.083 19221 4144 1 5 . 1 1 22 22 SER C C 22 175.056 175.056 174.619 0.437 19221 4145 1 5 . 1 1 22 22 SER CA C 22 58.530 58.530 59.397 -0.867 19221 4146 1 5 . 1 1 22 22 SER CB C 22 63.500 63.500 63.216 0.284 19221 4147 1 5 . 1 1 22 22 SER H H 22 7.967 7.967 8.516 -0.549 19221 4148 1 5 . 1 1 23 23 THR N N 23 117.440 117.440 112.911 4.529 19221 4149 1 5 . 1 1 23 23 THR HA H 23 4.279 4.279 4.654 -0.375 19221 4150 1 5 . 1 1 23 23 THR C C 23 174.573 174.573 172.351 2.222 19221 4151 1 5 . 1 1 23 23 THR CA C 23 62.920 62.920 60.643 2.277 19221 4152 1 5 . 1 1 23 23 THR CB C 23 69.260 69.260 71.513 -2.253 19221 4153 1 5 . 1 1 23 23 THR H H 23 7.936 7.936 7.735 0.201 19221 4154 1 5 . 1 1 24 24 SER N N 24 119.820 119.820 115.378 4.442 19221 4155 1 5 . 1 1 24 24 SER HA H 24 4.485 4.485 5.024 -0.539 19221 4156 1 5 . 1 1 24 24 SER C C 24 174.082 174.082 173.026 1.056 19221 4157 1 5 . 1 1 24 24 SER CA C 24 58.600 58.600 57.667 0.933 19221 4158 1 5 . 1 1 24 24 SER CB C 24 63.430 63.430 65.274 -1.844 19221 4159 1 5 . 1 1 24 24 SER H H 24 8.438 8.438 8.323 0.115 19221 4160 1 5 . 1 1 25 25 ILE N N 25 123.140 123.140 117.760 5.380 19221 4161 1 5 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.572 -0.093 19221 4162 1 5 . 1 1 25 25 ILE C C 25 176.472 176.472 175.107 1.365 19221 4163 1 5 . 1 1 25 25 ILE CA C 25 61.010 61.010 60.396 0.614 19221 4164 1 5 . 1 1 25 25 ILE CB C 25 39.460 39.460 40.827 -1.367 19221 4165 1 5 . 1 1 25 25 ILE H H 25 7.870 7.870 8.273 -0.403 19221 4166 1 5 . 1 1 26 26 THR N N 26 118.120 118.120 113.109 5.011 19221 4167 1 5 . 1 1 26 26 THR HA H 26 4.394 4.394 4.549 -0.155 19221 4168 1 5 . 1 1 26 26 THR C C 26 175.540 175.540 174.581 0.959 19221 4169 1 5 . 1 1 26 26 THR CA C 26 61.890 61.890 60.507 1.383 19221 4170 1 5 . 1 1 26 26 THR CB C 26 71.320 71.320 71.563 -0.243 19221 4171 1 5 . 1 1 26 26 THR H H 26 8.649 8.649 8.095 0.554 19221 4172 1 5 . 1 1 27 27 LEU N N 27 123.130 123.130 121.860 1.270 19221 4173 1 5 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.000 0.089 19221 4174 1 5 . 1 1 27 27 LEU C C 27 178.653 178.653 178.051 0.602 19221 4175 1 5 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.235 0.525 19221 4176 1 5 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.826 -0.646 19221 4177 1 5 . 1 1 27 27 LEU H H 27 8.766 8.766 8.490 0.276 19221 4178 1 5 . 1 1 28 28 ALA N N 28 119.510 119.510 120.953 -1.443 19221 4179 1 5 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.002 0.261 19221 4180 1 5 . 1 1 28 28 ALA C C 28 178.218 178.218 179.504 -1.286 19221 4181 1 5 . 1 1 28 28 ALA CA C 28 55.320 55.320 55.076 0.244 19221 4182 1 5 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.101 0.019 19221 4183 1 5 . 1 1 28 28 ALA H H 28 8.546 8.546 8.313 0.233 19221 4184 1 5 . 1 1 29 29 GLU N N 29 118.210 118.210 118.338 -0.128 19221 4185 1 5 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.060 0.021 19221 4186 1 5 . 1 1 29 29 GLU C C 29 179.929 179.929 179.434 0.495 19221 4187 1 5 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.448 -0.148 19221 4188 1 5 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.454 0.622 19221 4189 1 5 . 1 1 29 29 GLU H H 29 7.719 7.719 8.212 -0.493 19221 4190 1 5 . 1 1 30 30 ARG N N 30 121.350 121.350 120.028 1.322 19221 4191 1 5 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.039 -0.080 19221 4192 1 5 . 1 1 30 30 ARG C C 30 177.538 177.538 178.907 -1.369 19221 4193 1 5 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.614 1.032 19221 4194 1 5 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.119 0.881 19221 4195 1 5 . 1 1 30 30 ARG H H 30 8.410 8.410 8.347 0.063 19221 4196 1 5 . 1 1 31 31 GLN N N 31 117.670 117.670 119.424 -1.754 19221 4197 1 5 . 1 1 31 31 GLN HA H 31 3.952 3.952 3.950 0.002 19221 4198 1 5 . 1 1 31 31 GLN C C 31 178.220 178.220 178.691 -0.471 19221 4199 1 5 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.337 -0.382 19221 4200 1 5 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.572 0.058 19221 4201 1 5 . 1 1 31 31 GLN H H 31 8.742 8.742 8.479 0.263 19221 4202 1 5 . 1 1 32 32 GLN N N 32 117.910 117.910 118.881 -0.971 19221 4203 1 5 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.018 -0.031 19221 4204 1 5 . 1 1 32 32 GLN C C 32 177.712 177.712 178.693 -0.981 19221 4205 1 5 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.444 -0.114 19221 4206 1 5 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.346 -0.026 19221 4207 1 5 . 1 1 32 32 GLN H H 32 7.732 7.732 8.072 -0.340 19221 4208 1 5 . 1 1 33 33 LEU N N 33 119.680 119.680 121.497 -1.817 19221 4209 1 5 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.042 0.362 19221 4210 1 5 . 1 1 33 33 LEU C C 33 178.876 178.876 177.867 1.009 19221 4211 1 5 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.525 0.525 19221 4212 1 5 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.427 0.373 19221 4213 1 5 . 1 1 33 33 LEU H H 33 7.846 7.846 8.378 -0.532 19221 4214 1 5 . 1 1 34 34 ALA N N 34 121.660 121.660 122.417 -0.757 19221 4215 1 5 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.971 -0.230 19221 4216 1 5 . 1 1 34 34 ALA C C 34 180.025 180.025 179.374 0.651 19221 4217 1 5 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.134 0.536 19221 4218 1 5 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.036 0.904 19221 4219 1 5 . 1 1 34 34 ALA H H 34 8.308 8.308 8.519 -0.211 19221 4220 1 5 . 1 1 35 35 TYR N N 35 120.860 120.860 119.472 1.388 19221 4221 1 5 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.849 -0.091 19221 4222 1 5 . 1 1 35 35 TYR C C 35 176.384 176.384 177.318 -0.934 19221 4223 1 5 . 1 1 35 35 TYR CA C 35 62.020 62.020 62.030 -0.010 19221 4224 1 5 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.071 0.389 19221 4225 1 5 . 1 1 35 35 TYR H H 35 8.457 8.457 8.446 0.011 19221 4226 1 5 . 1 1 36 36 ASP N N 36 120.570 120.570 119.299 1.271 19221 4227 1 5 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.135 0.100 19221 4228 1 5 . 1 1 36 36 ASP C C 36 180.544 180.544 178.592 1.952 19221 4229 1 5 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.325 0.615 19221 4230 1 5 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.895 -0.425 19221 4231 1 5 . 1 1 36 36 ASP H H 36 9.072 9.072 8.341 0.731 19221 4232 1 5 . 1 1 37 37 LEU N N 37 123.000 123.000 121.354 1.646 19221 4233 1 5 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.082 0.064 19221 4234 1 5 . 1 1 37 37 LEU C C 37 178.743 178.743 178.334 0.409 19221 4235 1 5 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.672 -0.058 19221 4236 1 5 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.984 0.826 19221 4237 1 5 . 1 1 37 37 LEU H H 37 9.068 9.068 8.563 0.505 19221 4238 1 5 . 1 1 38 38 SER N N 38 116.650 116.650 115.723 0.927 19221 4239 1 5 . 1 1 38 38 SER HA H 38 3.680 3.680 4.244 -0.564 19221 4240 1 5 . 1 1 38 38 SER C C 38 174.113 174.113 176.885 -2.772 19221 4241 1 5 . 1 1 38 38 SER CA C 38 59.430 59.430 62.512 -3.082 19221 4242 1 5 . 1 1 38 38 SER CB C 38 63.559 63.559 62.895 0.664 19221 4243 1 5 . 1 1 38 38 SER H H 38 7.824 7.824 8.026 -0.202 19221 4244 1 5 . 1 1 39 39 ILE N N 39 121.198 121.198 122.588 -1.390 19221 4245 1 5 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.599 -0.194 19221 4246 1 5 . 1 1 39 39 ILE C C 39 176.113 176.113 177.695 -1.582 19221 4247 1 5 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.527 -1.167 19221 4248 1 5 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.519 -1.171 19221 4249 1 5 . 1 1 39 39 ILE H H 39 8.313 8.313 8.351 -0.038 19221 4250 1 5 . 1 1 40 40 SER N N 40 115.537 115.537 115.855 -0.318 19221 4251 1 5 . 1 1 40 40 SER HA H 40 4.534 4.534 4.054 0.480 19221 4252 1 5 . 1 1 40 40 SER C C 40 174.881 174.881 175.496 -0.615 19221 4253 1 5 . 1 1 40 40 SER CA C 40 62.520 62.520 61.965 0.555 19221 4254 1 5 . 1 1 40 40 SER CB C 40 62.670 62.670 62.890 -0.220 19221 4255 1 5 . 1 1 40 40 SER H H 40 7.961 7.961 8.443 -0.482 19221 4256 1 5 . 1 1 41 41 ALA N N 41 123.360 123.360 122.308 1.052 19221 4257 1 5 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.775 -0.183 19221 4258 1 5 . 1 1 41 41 ALA C C 41 178.822 178.822 180.207 -1.385 19221 4259 1 5 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.323 -0.201 19221 4260 1 5 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.671 -0.281 19221 4261 1 5 . 1 1 41 41 ALA H H 41 7.878 7.878 7.754 0.124 19221 4262 1 5 . 1 1 42 42 LEU N N 42 115.790 115.790 120.671 -4.881 19221 4263 1 5 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.009 -0.433 19221 4264 1 5 . 1 1 42 42 LEU C C 42 179.683 179.683 178.524 1.159 19221 4265 1 5 . 1 1 42 42 LEU CA C 42 58.731 58.731 58.522 0.209 19221 4266 1 5 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.077 0.133 19221 4267 1 5 . 1 1 42 42 LEU H H 42 7.737 7.737 8.423 -0.686 19221 4268 1 5 . 1 1 43 43 LEU N N 43 113.670 113.670 114.643 -0.973 19221 4269 1 5 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.226 -0.219 19221 4270 1 5 . 1 1 43 43 LEU C C 43 177.279 177.279 177.376 -0.097 19221 4271 1 5 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.670 0.260 19221 4272 1 5 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.906 -0.085 19221 4273 1 5 . 1 1 43 43 LEU H H 43 7.798 7.798 7.877 -0.079 19221 4274 1 5 . 1 1 44 44 GLY N N 44 108.270 108.270 107.444 0.826 19221 4275 1 5 . 1 1 44 44 GLY C C 44 177.020 177.020 174.849 2.171 19221 4276 1 5 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.831 2.059 19221 4277 1 5 . 1 1 44 44 GLY H H 44 7.984 7.984 7.369 0.615 19221 4278 1 5 . 1 1 45 45 ASP N N 45 128.400 128.400 123.606 4.794 19221 4279 1 5 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.601 -0.042 19221 4280 1 5 . 1 1 45 45 ASP C C 45 177.183 177.183 176.457 0.726 19221 4281 1 5 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.749 -1.299 19221 4282 1 5 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.261 -1.471 19221 4283 1 5 . 1 1 45 45 ASP H H 45 9.073 9.073 8.800 0.273 19221 4284 1 5 . 1 1 46 46 LYS N N 46 117.230 117.230 112.958 4.272 19221 4285 1 5 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.399 0.546 19221 4286 1 5 . 1 1 46 46 LYS C C 46 176.544 176.544 175.061 1.483 19221 4287 1 5 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.401 0.209 19221 4288 1 5 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.111 1.849 19221 4289 1 5 . 1 1 46 46 LYS H H 46 8.987 8.987 7.799 1.188 19221 4290 1 5 . 1 1 47 47 ILE N N 47 121.540 121.540 120.942 0.598 19221 4291 1 5 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.536 0.561 19221 4292 1 5 . 1 1 47 47 ILE C C 47 174.082 174.082 173.709 0.373 19221 4293 1 5 . 1 1 47 47 ILE CA C 47 61.080 61.080 61.878 -0.798 19221 4294 1 5 . 1 1 47 47 ILE CB C 47 37.008 37.008 37.686 -0.678 19221 4295 1 5 . 1 1 47 47 ILE H H 47 6.840 6.840 7.663 -0.823 19221 4296 1 5 . 1 1 48 48 TYR N N 48 123.820 123.820 122.731 1.089 19221 4297 1 5 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.259 0.050 19221 4298 1 5 . 1 1 48 48 TYR C C 48 173.249 173.249 175.556 -2.307 19221 4299 1 5 . 1 1 48 48 TYR CA C 48 57.350 57.350 57.925 -0.575 19221 4300 1 5 . 1 1 48 48 TYR CB C 48 39.230 39.230 40.270 -1.040 19221 4301 1 5 . 1 1 48 48 TYR H H 48 8.511 8.511 8.192 0.319 19221 4302 1 5 . 1 1 49 49 ASN N N 49 116.100 116.100 120.854 -4.754 19221 4303 1 5 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.666 -0.215 19221 4304 1 5 . 1 1 49 49 ASN C C 49 175.429 175.429 175.182 0.247 19221 4305 1 5 . 1 1 49 49 ASN CA C 49 53.077 53.077 51.479 1.598 19221 4306 1 5 . 1 1 49 49 ASN CB C 49 39.916 39.916 36.215 3.700 19221 4307 1 5 . 1 1 49 49 ASN H H 49 6.906 6.906 8.301 -1.395 19221 4308 1 5 . 1 1 50 50 PHE N N 50 124.360 124.360 119.972 4.388 19221 4309 1 5 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.191 0.820 19221 4310 1 5 . 1 1 50 50 PHE C C 50 176.190 176.190 177.586 -1.396 19221 4311 1 5 . 1 1 50 50 PHE CA C 50 55.863 55.863 61.287 -5.424 19221 4312 1 5 . 1 1 50 50 PHE CB C 50 38.482 38.482 38.292 0.190 19221 4313 1 5 . 1 1 50 50 PHE H H 50 8.980 8.980 8.091 0.889 19221 4314 1 5 . 1 1 51 51 GLY N N 51 109.740 109.740 108.160 1.580 19221 4315 1 5 . 1 1 51 51 GLY C C 51 175.758 175.758 176.391 -0.633 19221 4316 1 5 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.532 0.768 19221 4317 1 5 . 1 1 51 51 GLY H H 51 8.658 8.658 8.682 -0.024 19221 4318 1 5 . 1 1 52 52 GLU N N 52 120.700 120.700 122.655 -1.955 19221 4319 1 5 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.277 -0.195 19221 4320 1 5 . 1 1 52 52 GLU C C 52 178.240 178.240 179.442 -1.202 19221 4321 1 5 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.247 -0.037 19221 4322 1 5 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.528 0.211 19221 4323 1 5 . 1 1 52 52 GLU H H 52 8.321 8.321 8.075 0.246 19221 4324 1 5 . 1 1 53 53 LEU N N 53 119.400 119.400 123.105 -3.705 19221 4325 1 5 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.155 0.003 19221 4326 1 5 . 1 1 53 53 LEU C C 53 178.344 178.344 178.859 -0.515 19221 4327 1 5 . 1 1 53 53 LEU CA C 53 57.790 57.790 58.066 -0.275 19221 4328 1 5 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.054 0.786 19221 4329 1 5 . 1 1 53 53 LEU H H 53 7.694 7.694 7.628 0.066 19221 4330 1 5 . 1 1 54 54 LEU N N 54 114.230 114.230 118.347 -4.117 19221 4331 1 5 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.176 -0.253 19221 4332 1 5 . 1 1 54 54 LEU C C 54 178.643 178.643 177.050 1.593 19221 4333 1 5 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.910 0.820 19221 4334 1 5 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.943 -0.093 19221 4335 1 5 . 1 1 54 54 LEU H H 54 8.369 8.369 8.687 -0.318 19221 4336 1 5 . 1 1 55 55 HIS N N 55 113.420 113.420 113.460 -0.040 19221 4337 1 5 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.909 -0.202 19221 4338 1 5 . 1 1 55 55 HIS C C 55 173.981 173.981 174.489 -0.508 19221 4339 1 5 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.483 0.037 19221 4340 1 5 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.081 -1.801 19221 4341 1 5 . 1 1 55 55 HIS H H 55 7.569 7.569 7.732 -0.163 19221 4342 1 5 . 1 1 56 56 HIS N N 56 126.050 126.050 123.133 2.917 19221 4343 1 5 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.730 -0.249 19221 4344 1 5 . 1 1 56 56 HIS C C 56 176.705 176.705 175.302 1.403 19221 4345 1 5 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.971 2.380 19221 4346 1 5 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.694 0.026 19221 4347 1 5 . 1 1 56 56 HIS H H 56 8.068 8.068 7.899 0.169 19221 4348 1 5 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.328 0.049 19221 4349 1 5 . 1 1 57 57 PRO C C 57 179.790 179.790 177.932 1.858 19221 4350 1 5 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.252 1.188 19221 4351 1 5 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.700 0.730 19221 4352 1 5 . 1 1 58 58 ILE N N 58 124.900 124.900 121.384 3.516 19221 4353 1 5 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.842 0.428 19221 4354 1 5 . 1 1 58 58 ILE C C 58 177.782 177.782 176.770 1.012 19221 4355 1 5 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.182 -0.652 19221 4356 1 5 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.776 0.494 19221 4357 1 5 . 1 1 58 58 ILE H H 58 11.871 11.871 7.483 4.388 19221 4358 1 5 . 1 1 59 59 MET N N 59 120.230 120.230 116.147 4.083 19221 4359 1 5 . 1 1 59 59 MET HA H 59 4.431 4.431 4.277 0.154 19221 4360 1 5 . 1 1 59 59 MET C C 59 178.757 178.757 178.262 0.495 19221 4361 1 5 . 1 1 59 59 MET CA C 59 55.720 55.720 55.988 -0.268 19221 4362 1 5 . 1 1 59 59 MET CB C 59 30.980 30.980 30.885 0.095 19221 4363 1 5 . 1 1 59 59 MET H H 59 8.152 8.152 8.126 0.026 19221 4364 1 5 . 1 1 60 60 GLU N N 60 119.080 119.080 118.987 0.093 19221 4365 1 5 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.871 0.137 19221 4366 1 5 . 1 1 60 60 GLU C C 60 178.242 178.242 177.974 0.268 19221 4367 1 5 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.159 -0.639 19221 4368 1 5 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.613 0.934 19221 4369 1 5 . 1 1 60 60 GLU H H 60 7.889 7.889 7.984 -0.095 19221 4370 1 5 . 1 1 61 61 THR N N 61 106.740 106.740 111.026 -4.286 19221 4371 1 5 . 1 1 61 61 THR HA H 61 4.120 4.120 4.063 0.057 19221 4372 1 5 . 1 1 61 61 THR C C 61 176.056 176.056 175.989 0.067 19221 4373 1 5 . 1 1 61 61 THR CA C 61 64.520 64.520 64.753 -0.233 19221 4374 1 5 . 1 1 61 61 THR CB C 61 69.420 69.420 68.945 0.475 19221 4375 1 5 . 1 1 61 61 THR H H 61 7.558 7.558 7.621 -0.063 19221 4376 1 5 . 1 1 62 62 ILE N N 62 113.140 113.140 115.295 -2.155 19221 4377 1 5 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.499 0.088 19221 4378 1 5 . 1 1 62 62 ILE C C 62 176.843 176.843 177.270 -0.427 19221 4379 1 5 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.968 -0.178 19221 4380 1 5 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.443 0.927 19221 4381 1 5 . 1 1 62 62 ILE H H 62 7.235 7.235 7.567 -0.332 19221 4382 1 5 . 1 1 63 63 VAL N N 63 122.110 122.110 119.930 2.180 19221 4383 1 5 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.745 -0.399 19221 4384 1 5 . 1 1 63 63 VAL C C 63 175.165 175.165 176.626 -1.461 19221 4385 1 5 . 1 1 63 63 VAL CA C 63 64.440 64.440 65.064 -0.624 19221 4386 1 5 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.567 -0.367 19221 4387 1 5 . 1 1 63 63 VAL H H 63 7.436 7.436 7.824 -0.388 19221 4388 1 5 . 1 1 64 64 ASN N N 64 116.810 116.810 115.487 1.323 19221 4389 1 5 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.559 0.222 19221 4390 1 5 . 1 1 64 64 ASN C C 64 174.101 174.101 174.955 -0.854 19221 4391 1 5 . 1 1 64 64 ASN CA C 64 52.900 52.900 53.718 -0.818 19221 4392 1 5 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.831 -0.052 19221 4393 1 5 . 1 1 64 64 ASN H H 64 8.352 8.352 7.585 0.767 19221 4394 1 5 . 1 1 65 65 ASP N N 65 120.930 120.930 119.189 1.741 19221 4395 1 5 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.894 -0.014 19221 4396 1 5 . 1 1 65 65 ASP C C 65 177.534 177.534 176.654 0.880 19221 4397 1 5 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.919 0.251 19221 4398 1 5 . 1 1 65 65 ASP CB C 65 43.100 43.100 42.707 0.393 19221 4399 1 5 . 1 1 65 65 ASP H H 65 7.453 7.453 7.777 -0.324 19221 4400 1 5 . 1 1 66 66 SER HA H 66 4.356 4.356 4.080 0.276 19221 4401 1 5 . 1 1 66 66 SER C C 66 176.310 176.310 175.678 0.632 19221 4402 1 5 . 1 1 66 66 SER CA C 66 61.350 61.350 61.332 0.018 19221 4403 1 5 . 1 1 66 66 SER CB C 66 63.120 63.120 63.302 -0.182 19221 4404 1 5 . 1 1 66 66 SER H H 66 7.010 7.010 8.897 -1.887 19221 4405 1 5 . 1 1 67 67 ASN N N 67 120.050 120.050 119.171 0.879 19221 4406 1 5 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.475 0.130 19221 4407 1 5 . 1 1 67 67 ASN C C 67 176.107 176.107 176.414 -0.307 19221 4408 1 5 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.517 0.053 19221 4409 1 5 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.673 -0.073 19221 4410 1 5 . 1 1 67 67 ASN H H 67 9.014 9.014 8.138 0.876 19221 4411 1 5 . 1 1 68 68 TYR N N 68 114.840 114.840 113.974 0.866 19221 4412 1 5 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.232 0.287 19221 4413 1 5 . 1 1 68 68 TYR C C 68 175.709 175.709 176.435 -0.726 19221 4414 1 5 . 1 1 68 68 TYR CA C 68 57.610 57.610 57.571 0.040 19221 4415 1 5 . 1 1 68 68 TYR CB C 68 39.750 39.750 40.209 -0.459 19221 4416 1 5 . 1 1 68 68 TYR H H 68 8.276 8.276 8.269 0.007 19221 4417 1 5 . 1 1 69 69 ASP N N 69 122.810 122.810 122.987 -0.177 19221 4418 1 5 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.349 0.103 19221 4419 1 5 . 1 1 69 69 ASP C C 69 178.371 178.371 177.292 1.079 19221 4420 1 5 . 1 1 69 69 ASP CA C 69 58.630 58.630 57.562 1.067 19221 4421 1 5 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.732 -0.102 19221 4422 1 5 . 1 1 69 69 ASP H H 69 7.806 7.806 8.748 -0.942 19221 4423 1 5 . 1 1 70 70 TRP N N 70 117.270 117.270 118.812 -1.542 19221 4424 1 5 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.442 -0.278 19221 4425 1 5 . 1 1 70 70 TRP C C 70 176.090 176.090 177.481 -1.391 19221 4426 1 5 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.344 -0.814 19221 4427 1 5 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.189 -0.639 19221 4428 1 5 . 1 1 70 70 TRP H H 70 8.172 8.172 7.393 0.779 19221 4429 1 5 . 1 1 71 71 LEU N N 71 125.263 125.263 121.614 3.649 19221 4430 1 5 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.705 -0.465 19221 4431 1 5 . 1 1 71 71 LEU C C 71 178.306 178.306 178.423 -0.117 19221 4432 1 5 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.233 0.377 19221 4433 1 5 . 1 1 71 71 LEU CB C 71 41.190 41.190 41.081 0.109 19221 4434 1 5 . 1 1 71 71 LEU H H 71 6.251 6.251 6.879 -0.628 19221 4435 1 5 . 1 1 72 72 PHE N N 72 117.630 117.630 119.752 -2.122 19221 4436 1 5 . 1 1 72 72 PHE HA H 72 3.813 3.813 4.021 -0.208 19221 4437 1 5 . 1 1 72 72 PHE C C 72 178.797 178.797 177.230 1.567 19221 4438 1 5 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.765 0.806 19221 4439 1 5 . 1 1 72 72 PHE CB C 72 38.810 38.810 39.028 -0.218 19221 4440 1 5 . 1 1 72 72 PHE H H 72 6.996 6.996 7.501 -0.505 19221 4441 1 5 . 1 1 73 73 GLN N N 73 117.950 117.950 118.624 -0.674 19221 4442 1 5 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.861 0.205 19221 4443 1 5 . 1 1 73 73 GLN C C 73 179.341 179.341 178.320 1.021 19221 4444 1 5 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.895 0.195 19221 4445 1 5 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.744 -0.494 19221 4446 1 5 . 1 1 73 73 GLN H H 73 8.415 8.415 8.575 -0.160 19221 4447 1 5 . 1 1 74 74 LEU N N 74 122.275 122.275 122.387 -0.112 19221 4448 1 5 . 1 1 74 74 LEU HA H 74 4.070 4.070 3.970 0.100 19221 4449 1 5 . 1 1 74 74 LEU C C 74 177.889 177.889 178.528 -0.639 19221 4450 1 5 . 1 1 74 74 LEU CA C 74 58.570 58.570 58.032 0.538 19221 4451 1 5 . 1 1 74 74 LEU CB C 74 42.180 42.180 42.074 0.106 19221 4452 1 5 . 1 1 74 74 LEU H H 74 8.365 8.365 8.014 0.351 19221 4453 1 5 . 1 1 75 75 LEU N N 75 118.123 118.123 119.176 -1.053 19221 4454 1 5 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.594 0.133 19221 4455 1 5 . 1 1 75 75 LEU C C 75 180.172 180.172 178.865 1.307 19221 4456 1 5 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.194 0.259 19221 4457 1 5 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.188 1.151 19221 4458 1 5 . 1 1 75 75 LEU H H 75 8.210 8.210 8.568 -0.358 19221 4459 1 5 . 1 1 76 76 ASN N N 76 117.960 117.960 117.958 0.002 19221 4460 1 5 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.171 0.204 19221 4461 1 5 . 1 1 76 76 ASN C C 76 176.582 176.582 177.047 -0.465 19221 4462 1 5 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.169 0.791 19221 4463 1 5 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.821 1.129 19221 4464 1 5 . 1 1 76 76 ASN H H 76 8.363 8.363 8.079 0.284 19221 4465 1 5 . 1 1 77 77 ALA N N 77 121.740 121.740 122.202 -0.462 19221 4466 1 5 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.027 0.140 19221 4467 1 5 . 1 1 77 77 ALA C C 77 179.988 179.988 179.977 0.011 19221 4468 1 5 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.922 0.638 19221 4469 1 5 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.344 -1.014 19221 4470 1 5 . 1 1 77 77 ALA H H 77 8.385 8.385 7.894 0.491 19221 4471 1 5 . 1 1 78 78 LEU N N 78 116.550 116.550 118.065 -1.515 19221 4472 1 5 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.881 -0.228 19221 4473 1 5 . 1 1 78 78 LEU C C 78 177.576 177.576 178.802 -1.226 19221 4474 1 5 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.857 1.127 19221 4475 1 5 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.647 0.363 19221 4476 1 5 . 1 1 78 78 LEU H H 78 7.965 7.965 8.500 -0.535 19221 4477 1 5 . 1 1 79 79 THR N N 79 113.220 113.220 113.847 -0.627 19221 4478 1 5 . 1 1 79 79 THR HA H 79 3.807 3.807 4.185 -0.378 19221 4479 1 5 . 1 1 79 79 THR C C 79 176.163 176.163 176.088 0.075 19221 4480 1 5 . 1 1 79 79 THR CA C 79 66.980 66.980 66.499 0.481 19221 4481 1 5 . 1 1 79 79 THR CB C 79 69.240 69.240 69.213 0.027 19221 4482 1 5 . 1 1 79 79 THR H H 79 7.565 7.565 7.841 -0.276 19221 4483 1 5 . 1 1 80 80 VAL N N 80 110.800 110.800 114.347 -3.547 19221 4484 1 5 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.162 0.347 19221 4485 1 5 . 1 1 80 80 VAL C C 80 176.751 176.751 177.283 -0.532 19221 4486 1 5 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.477 -1.587 19221 4487 1 5 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.860 0.145 19221 4488 1 5 . 1 1 80 80 VAL H H 80 7.792 7.792 7.765 0.027 19221 4489 1 5 . 1 1 81 81 GLY N N 81 112.910 112.910 109.766 3.144 19221 4490 1 5 . 1 1 81 81 GLY C C 81 173.874 173.874 174.102 -0.228 19221 4491 1 5 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.520 1.760 19221 4492 1 5 . 1 1 81 81 GLY H H 81 7.506 7.506 7.689 -0.183 19221 4493 1 5 . 1 1 82 82 ASP N N 82 119.112 119.112 121.586 -2.474 19221 4494 1 5 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.648 0.192 19221 4495 1 5 . 1 1 82 82 ASP C C 82 175.706 175.706 176.202 -0.496 19221 4496 1 5 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.216 0.704 19221 4497 1 5 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.853 0.097 19221 4498 1 5 . 1 1 82 82 ASP H H 82 8.254 8.254 8.174 0.080 19221 4499 1 5 . 1 1 83 83 PHE N N 83 123.870 123.870 123.055 0.815 19221 4500 1 5 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.021 -0.193 19221 4501 1 5 . 1 1 83 83 PHE C C 83 177.950 177.950 176.930 1.020 19221 4502 1 5 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.511 2.059 19221 4503 1 5 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.104 1.016 19221 4504 1 5 . 1 1 83 83 PHE H H 83 8.025 8.025 7.679 0.346 19221 4505 1 5 . 1 1 84 84 ASP N N 84 119.583 119.583 120.486 -0.903 19221 4506 1 5 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.374 0.148 19221 4507 1 5 . 1 1 84 84 ASP C C 84 179.005 179.005 178.468 0.537 19221 4508 1 5 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.407 0.253 19221 4509 1 5 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.667 -0.107 19221 4510 1 5 . 1 1 84 84 ASP H H 84 8.464 8.464 7.513 0.951 19221 4511 1 5 . 1 1 85 85 LYS N N 85 122.200 122.200 119.759 2.441 19221 4512 1 5 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.111 -0.019 19221 4513 1 5 . 1 1 85 85 LYS C C 85 178.580 178.580 179.059 -0.479 19221 4514 1 5 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.358 -0.108 19221 4515 1 5 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.091 0.219 19221 4516 1 5 . 1 1 85 85 LYS H H 85 8.009 8.009 8.212 -0.203 19221 4517 1 5 . 1 1 86 86 PHE N N 86 118.590 118.590 121.516 -2.926 19221 4518 1 5 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.076 -0.240 19221 4519 1 5 . 1 1 86 86 PHE C C 86 175.649 175.649 176.699 -1.050 19221 4520 1 5 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.601 0.809 19221 4521 1 5 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.861 1.219 19221 4522 1 5 . 1 1 86 86 PHE H H 86 8.331 8.331 8.772 -0.441 19221 4523 1 5 . 1 1 87 87 ASP N N 87 117.790 117.790 119.093 -1.303 19221 4524 1 5 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.206 -0.008 19221 4525 1 5 . 1 1 87 87 ASP C C 87 178.542 178.542 178.515 0.027 19221 4526 1 5 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.581 0.259 19221 4527 1 5 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.749 1.141 19221 4528 1 5 . 1 1 87 87 ASP H H 87 8.560 8.560 8.637 -0.077 19221 4529 1 5 . 1 1 88 88 SER N N 88 112.940 112.940 116.221 -3.281 19221 4530 1 5 . 1 1 88 88 SER HA H 88 4.153 4.153 4.234 -0.081 19221 4531 1 5 . 1 1 88 88 SER C C 88 176.823 176.823 175.931 0.892 19221 4532 1 5 . 1 1 88 88 SER CA C 88 61.590 61.590 62.123 -0.533 19221 4533 1 5 . 1 1 88 88 SER CB C 88 63.085 63.085 63.270 -0.186 19221 4534 1 5 . 1 1 88 88 SER H H 88 7.757 7.757 8.174 -0.417 19221 4535 1 5 . 1 1 89 89 LEU N N 89 121.710 121.710 120.849 0.861 19221 4536 1 5 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.058 0.110 19221 4537 1 5 . 1 1 89 89 LEU C C 89 180.006 180.006 178.129 1.877 19221 4538 1 5 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.822 0.008 19221 4539 1 5 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.107 1.273 19221 4540 1 5 . 1 1 89 89 LEU H H 89 8.173 8.173 7.533 0.640 19221 4541 1 5 . 1 1 90 90 ILE N N 90 119.830 119.830 120.326 -0.496 19221 4542 1 5 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.356 0.189 19221 4543 1 5 . 1 1 90 90 ILE C C 90 177.083 177.083 178.207 -1.124 19221 4544 1 5 . 1 1 90 90 ILE CA C 90 62.910 62.910 65.563 -2.653 19221 4545 1 5 . 1 1 90 90 ILE CB C 90 36.080 36.080 37.315 -1.235 19221 4546 1 5 . 1 1 90 90 ILE H H 90 8.424 8.424 8.245 0.179 19221 4547 1 5 . 1 1 91 91 LYS N N 91 117.980 117.980 118.212 -0.232 19221 4548 1 5 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.952 -0.051 19221 4549 1 5 . 1 1 91 91 LYS C C 91 178.803 178.803 177.788 1.015 19221 4550 1 5 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.173 0.337 19221 4551 1 5 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.285 0.475 19221 4552 1 5 . 1 1 91 91 LYS H H 91 7.569 7.569 8.229 -0.660 19221 4553 1 5 . 1 1 92 92 VAL N N 92 115.450 115.450 118.685 -3.235 19221 4554 1 5 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.871 0.057 19221 4555 1 5 . 1 1 92 92 VAL C C 92 177.767 177.767 177.597 0.170 19221 4556 1 5 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.877 -0.327 19221 4557 1 5 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.581 0.209 19221 4558 1 5 . 1 1 92 92 VAL H H 92 7.432 7.432 7.671 -0.239 19221 4559 1 5 . 1 1 93 93 GLN N N 93 117.250 117.250 119.115 -1.865 19221 4560 1 5 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.895 0.102 19221 4561 1 5 . 1 1 93 93 GLN C C 93 178.756 178.756 178.806 -0.050 19221 4562 1 5 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.145 -0.585 19221 4563 1 5 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.533 0.137 19221 4564 1 5 . 1 1 93 93 GLN H H 93 8.127 8.127 8.405 -0.278 19221 4565 1 5 . 1 1 94 94 ILE N N 94 118.013 118.013 119.715 -1.702 19221 4566 1 5 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.675 -0.035 19221 4567 1 5 . 1 1 94 94 ILE C C 94 176.252 176.252 178.835 -2.583 19221 4568 1 5 . 1 1 94 94 ILE CA C 94 64.980 64.980 64.850 0.130 19221 4569 1 5 . 1 1 94 94 ILE CB C 94 37.130 37.130 37.541 -0.411 19221 4570 1 5 . 1 1 94 94 ILE H H 94 8.390 8.390 7.987 0.403 19221 4571 1 5 . 1 1 95 95 SER N N 95 112.220 112.220 116.079 -3.859 19221 4572 1 5 . 1 1 95 95 SER HA H 95 4.158 4.158 4.151 0.007 19221 4573 1 5 . 1 1 95 95 SER C C 95 174.893 174.893 175.734 -0.841 19221 4574 1 5 . 1 1 95 95 SER CA C 95 59.890 59.890 60.942 -1.052 19221 4575 1 5 . 1 1 95 95 SER CB C 95 63.170 63.170 62.898 0.272 19221 4576 1 5 . 1 1 95 95 SER H H 95 7.227 7.227 8.075 -0.848 19221 4577 1 5 . 1 1 96 96 LYS N N 96 119.000 119.000 118.406 0.594 19221 4578 1 5 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.196 0.129 19221 4579 1 5 . 1 1 96 96 LYS C C 96 175.903 175.903 175.979 -0.076 19221 4580 1 5 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.960 -0.360 19221 4581 1 5 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.209 0.731 19221 4582 1 5 . 1 1 96 96 LYS H H 96 7.250 7.250 7.438 -0.188 19221 4583 1 5 . 1 1 97 97 ILE N N 97 120.530 120.530 120.973 -0.443 19221 4584 1 5 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.546 0.053 19221 4585 1 5 . 1 1 97 97 ILE C C 97 173.784 173.784 174.112 -0.328 19221 4586 1 5 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.900 -0.488 19221 4587 1 5 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.082 -2.522 19221 4588 1 5 . 1 1 97 97 ILE H H 97 7.713 7.713 7.496 0.217 19221 4589 1 5 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.274 0.019 19221 4590 1 5 . 1 1 98 98 PRO C C 98 178.885 178.885 178.294 0.591 19221 4591 1 5 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.844 0.476 19221 4592 1 5 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.104 0.166 19221 4593 1 5 . 1 1 99 99 ILE N N 99 115.600 115.600 118.063 -2.463 19221 4594 1 5 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.844 0.448 19221 4595 1 5 . 1 1 99 99 ILE C C 99 177.025 177.025 177.424 -0.399 19221 4596 1 5 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.243 -0.463 19221 4597 1 5 . 1 1 99 99 ILE CB C 99 38.080 38.080 38.072 0.008 19221 4598 1 5 . 1 1 99 99 ILE H H 99 8.552 8.552 7.997 0.555 19221 4599 1 5 . 1 1 100 100 LEU N N 100 119.430 119.430 119.609 -0.179 19221 4600 1 5 . 1 1 100 100 LEU HA H 100 4.223 4.223 3.691 0.532 19221 4601 1 5 . 1 1 100 100 LEU C C 100 178.223 178.223 179.112 -0.889 19221 4602 1 5 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.544 -0.434 19221 4603 1 5 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.180 1.040 19221 4604 1 5 . 1 1 100 100 LEU H H 100 7.404 7.404 7.503 -0.099 19221 4605 1 5 . 1 1 101 101 ALA N N 101 121.390 121.390 121.365 0.025 19221 4606 1 5 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.917 0.000 19221 4607 1 5 . 1 1 101 101 ALA C C 101 181.827 181.827 179.982 1.845 19221 4608 1 5 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.753 0.657 19221 4609 1 5 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.019 -0.069 19221 4610 1 5 . 1 1 101 101 ALA H H 101 7.839 7.839 8.087 -0.248 19221 4611 1 5 . 1 1 102 102 GLN N N 102 115.470 115.470 116.437 -0.967 19221 4612 1 5 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.187 -0.110 19221 4613 1 5 . 1 1 102 102 GLN C C 102 176.572 176.572 176.961 -0.389 19221 4614 1 5 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.846 -0.266 19221 4615 1 5 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.328 -0.698 19221 4616 1 5 . 1 1 102 102 GLN H H 102 8.276 8.276 7.759 0.517 19221 4617 1 5 . 1 1 103 103 HIS N N 103 115.980 115.980 113.045 2.935 19221 4618 1 5 . 1 1 103 103 HIS HA H 103 5.124 5.124 5.095 0.029 19221 4619 1 5 . 1 1 103 103 HIS C C 103 175.326 175.326 174.349 0.977 19221 4620 1 5 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.249 2.101 19221 4621 1 5 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.688 1.302 19221 4622 1 5 . 1 1 103 103 HIS H H 103 7.450 7.450 7.761 -0.311 19221 4623 1 5 . 1 1 104 104 GLU N N 104 122.920 122.920 122.870 0.050 19221 4624 1 5 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.811 0.002 19221 4625 1 5 . 1 1 104 104 GLU C C 104 177.960 177.960 177.818 0.142 19221 4626 1 5 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.864 0.646 19221 4627 1 5 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.454 0.046 19221 4628 1 5 . 1 1 104 104 GLU H H 104 7.332 7.332 7.695 -0.363 19221 4629 1 5 . 1 1 105 105 SER N N 105 113.180 113.180 115.375 -2.195 19221 4630 1 5 . 1 1 105 105 SER HA H 105 4.234 4.234 4.297 -0.063 19221 4631 1 5 . 1 1 105 105 SER C C 105 177.512 177.512 176.706 0.806 19221 4632 1 5 . 1 1 105 105 SER CA C 105 62.100 62.100 61.086 1.014 19221 4633 1 5 . 1 1 105 105 SER CB C 105 62.100 62.100 62.921 -0.821 19221 4634 1 5 . 1 1 105 105 SER H H 105 8.931 8.931 8.580 0.351 19221 4635 1 5 . 1 1 106 106 PHE N N 106 123.770 123.770 123.753 0.017 19221 4636 1 5 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.505 -0.078 19221 4637 1 5 . 1 1 106 106 PHE C C 106 178.007 178.007 176.988 1.019 19221 4638 1 5 . 1 1 106 106 PHE CA C 106 61.390 61.390 59.577 1.813 19221 4639 1 5 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.149 -0.019 19221 4640 1 5 . 1 1 106 106 PHE H H 106 8.040 8.040 7.662 0.378 19221 4641 1 5 . 1 1 107 107 LEU N N 107 121.397 121.397 121.007 0.390 19221 4642 1 5 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.896 0.110 19221 4643 1 5 . 1 1 107 107 LEU C C 107 178.165 178.165 178.958 -0.793 19221 4644 1 5 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.036 0.244 19221 4645 1 5 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.413 0.756 19221 4646 1 5 . 1 1 107 107 LEU H H 107 8.481 8.481 8.225 0.256 19221 4647 1 5 . 1 1 108 108 ARG N N 108 117.450 117.450 119.915 -2.465 19221 4648 1 5 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.018 0.121 19221 4649 1 5 . 1 1 108 108 ARG C C 108 178.343 178.343 178.365 -0.022 19221 4650 1 5 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.156 -0.576 19221 4651 1 5 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.173 -1.003 19221 4652 1 5 . 1 1 108 108 ARG H H 108 8.480 8.480 8.583 -0.103 19221 4653 1 5 . 1 1 109 109 GLN N N 109 119.098 119.098 118.071 1.027 19221 4654 1 5 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.055 0.020 19221 4655 1 5 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.305 -0.010 19221 4656 1 5 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.666 0.842 19221 4657 1 5 . 1 1 109 109 GLN H H 109 7.886 7.886 8.440 -0.554 19221 4658 1 5 . 1 1 110 110 LYS N N 110 121.110 121.110 121.185 -0.075 19221 4659 1 5 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.203 -0.215 19221 4660 1 5 . 1 1 110 110 LYS C C 110 178.368 178.368 179.022 -0.654 19221 4661 1 5 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.829 2.721 19221 4662 1 5 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.864 -1.605 19221 4663 1 5 . 1 1 110 110 LYS H H 110 8.356 8.356 7.993 0.363 19221 4664 1 5 . 1 1 111 111 ILE N N 111 116.870 116.870 120.473 -3.603 19221 4665 1 5 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.759 0.139 19221 4666 1 5 . 1 1 111 111 ILE C C 111 178.036 178.036 177.112 0.924 19221 4667 1 5 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.355 0.746 19221 4668 1 5 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.568 -0.653 19221 4669 1 5 . 1 1 111 111 ILE H H 111 7.848 7.848 8.194 -0.346 19221 4670 1 5 . 1 1 112 112 CYS N N 112 123.990 123.990 118.511 5.479 19221 4671 1 5 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.070 0.011 19221 4672 1 5 . 1 1 112 112 CYS C C 112 176.276 176.276 176.513 -0.237 19221 4673 1 5 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.157 1.243 19221 4674 1 5 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.482 -0.112 19221 4675 1 5 . 1 1 112 112 CYS H H 112 7.473 7.473 7.532 -0.059 19221 4676 1 5 . 1 1 113 113 LEU N N 113 120.218 120.218 121.897 -1.679 19221 4677 1 5 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.734 0.109 19221 4678 1 5 . 1 1 113 113 LEU C C 113 178.584 178.584 178.884 -0.300 19221 4679 1 5 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.424 0.096 19221 4680 1 5 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.443 1.107 19221 4681 1 5 . 1 1 113 113 LEU H H 113 8.443 8.443 8.724 -0.281 19221 4682 1 5 . 1 1 114 114 MET N N 114 116.910 116.910 118.271 -1.361 19221 4683 1 5 . 1 1 114 114 MET HA H 114 3.952 3.952 3.997 -0.045 19221 4684 1 5 . 1 1 114 114 MET C C 114 178.724 178.724 177.974 0.750 19221 4685 1 5 . 1 1 114 114 MET CA C 114 60.070 60.070 58.124 1.946 19221 4686 1 5 . 1 1 114 114 MET CB C 114 32.910 32.910 31.918 0.992 19221 4687 1 5 . 1 1 114 114 MET H H 114 8.840 8.840 8.696 0.144 19221 4688 1 5 . 1 1 115 115 THR N N 115 115.670 115.670 116.917 -1.247 19221 4689 1 5 . 1 1 115 115 THR HA H 115 4.083 4.083 3.997 0.086 19221 4690 1 5 . 1 1 115 115 THR C C 115 177.434 177.434 176.673 0.761 19221 4691 1 5 . 1 1 115 115 THR CA C 115 66.740 66.740 67.769 -1.029 19221 4692 1 5 . 1 1 115 115 THR CB C 115 68.630 68.630 68.373 0.257 19221 4693 1 5 . 1 1 115 115 THR H H 115 8.095 8.095 8.075 0.020 19221 4694 1 5 . 1 1 116 116 LEU N N 116 125.420 125.420 123.445 1.975 19221 4695 1 5 . 1 1 116 116 LEU HA H 116 3.855 3.855 3.917 -0.062 19221 4696 1 5 . 1 1 116 116 LEU C C 116 176.903 176.903 177.885 -0.982 19221 4697 1 5 . 1 1 116 116 LEU CA C 116 58.936 58.936 57.920 1.016 19221 4698 1 5 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.099 0.577 19221 4699 1 5 . 1 1 116 116 LEU H H 116 8.164 8.164 7.817 0.347 19221 4700 1 5 . 1 1 117 117 ILE N N 117 114.740 114.740 119.492 -4.752 19221 4701 1 5 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.390 0.229 19221 4702 1 5 . 1 1 117 117 ILE C C 117 177.806 177.806 177.854 -0.048 19221 4703 1 5 . 1 1 117 117 ILE CA C 117 64.590 64.590 66.083 -1.493 19221 4704 1 5 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.449 -1.089 19221 4705 1 5 . 1 1 117 117 ILE H H 117 8.032 8.032 8.195 -0.163 19221 4706 1 5 . 1 1 118 118 GLU N N 118 121.200 121.200 119.582 1.618 19221 4707 1 5 . 1 1 118 118 GLU HA H 118 4.200 4.200 3.948 0.252 19221 4708 1 5 . 1 1 118 118 GLU C C 118 178.314 178.314 178.894 -0.580 19221 4709 1 5 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.088 -0.108 19221 4710 1 5 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.691 -0.311 19221 4711 1 5 . 1 1 118 118 GLU H H 118 8.176 8.176 8.686 -0.510 19221 4712 1 5 . 1 1 119 119 THR N N 119 114.460 114.460 117.200 -2.740 19221 4713 1 5 . 1 1 119 119 THR HA H 119 3.917 3.917 4.012 -0.095 19221 4714 1 5 . 1 1 119 119 THR C C 119 175.551 175.551 177.006 -1.455 19221 4715 1 5 . 1 1 119 119 THR CA C 119 67.470 67.470 67.134 0.336 19221 4716 1 5 . 1 1 119 119 THR CB C 119 69.110 69.110 68.489 0.621 19221 4717 1 5 . 1 1 119 119 THR H H 119 8.008 8.008 8.057 -0.049 19221 4718 1 5 . 1 1 120 120 VAL N N 120 118.050 118.050 121.643 -3.593 19221 4719 1 5 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.657 -0.037 19221 4720 1 5 . 1 1 120 120 VAL C C 120 178.213 178.213 177.564 0.649 19221 4721 1 5 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.468 -0.448 19221 4722 1 5 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.622 0.208 19221 4723 1 5 . 1 1 120 120 VAL H H 120 7.800 7.800 8.199 -0.399 19221 4724 1 5 . 1 1 121 121 PHE N N 121 118.360 118.360 121.955 -3.595 19221 4725 1 5 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.212 0.008 19221 4726 1 5 . 1 1 121 121 PHE C C 121 178.739 178.739 177.661 1.078 19221 4727 1 5 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.245 0.295 19221 4728 1 5 . 1 1 121 121 PHE CB C 121 40.130 40.130 38.936 1.194 19221 4729 1 5 . 1 1 121 121 PHE H H 121 8.370 8.370 8.464 -0.094 19221 4730 1 5 . 1 1 122 122 VAL N N 122 118.710 118.710 120.406 -1.696 19221 4731 1 5 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.369 0.256 19221 4732 1 5 . 1 1 122 122 VAL C C 122 178.247 178.247 177.106 1.141 19221 4733 1 5 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.444 0.406 19221 4734 1 5 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.814 0.067 19221 4735 1 5 . 1 1 122 122 VAL H H 122 8.959 8.959 8.328 0.631 19221 4736 1 5 . 1 1 123 123 LYS N N 123 115.960 115.960 116.479 -0.519 19221 4737 1 5 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.298 0.018 19221 4738 1 5 . 1 1 123 123 LYS C C 123 176.148 176.148 175.688 0.460 19221 4739 1 5 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.755 0.775 19221 4740 1 5 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.375 -0.345 19221 4741 1 5 . 1 1 123 123 LYS H H 123 7.688 7.688 7.782 -0.094 19221 4742 1 5 . 1 1 124 124 ASN N N 124 117.440 117.440 116.808 0.632 19221 4743 1 5 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.362 -0.018 19221 4744 1 5 . 1 1 124 124 ASN C C 124 174.205 174.205 174.463 -0.258 19221 4745 1 5 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.811 0.109 19221 4746 1 5 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.179 -0.109 19221 4747 1 5 . 1 1 124 124 ASN H H 124 7.560 7.560 7.569 -0.009 19221 4748 1 5 . 1 1 125 125 ILE N N 125 116.780 116.780 117.527 -0.747 19221 4749 1 5 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.028 0.082 19221 4750 1 5 . 1 1 125 125 ILE C C 125 175.909 175.909 175.929 -0.020 19221 4751 1 5 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.169 -0.599 19221 4752 1 5 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.170 1.800 19221 4753 1 5 . 1 1 125 125 ILE H H 125 7.658 7.658 7.362 0.296 19221 4754 1 5 . 1 1 126 126 ARG N N 126 122.400 122.400 122.865 -0.465 19221 4755 1 5 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.509 0.122 19221 4756 1 5 . 1 1 126 126 ARG C C 126 175.296 175.296 175.449 -0.153 19221 4757 1 5 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.465 -0.255 19221 4758 1 5 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.819 -0.602 19221 4759 1 5 . 1 1 126 126 ARG H H 126 8.658 8.658 8.669 -0.011 19221 4760 1 5 . 1 1 127 127 MET N N 127 119.870 119.870 119.843 0.027 19221 4761 1 5 . 1 1 127 127 MET HA H 127 5.412 5.412 5.253 0.159 19221 4762 1 5 . 1 1 127 127 MET C C 127 174.169 174.169 173.968 0.201 19221 4763 1 5 . 1 1 127 127 MET CA C 127 55.130 55.130 54.437 0.693 19221 4764 1 5 . 1 1 127 127 MET CB C 127 35.300 35.300 35.450 -0.150 19221 4765 1 5 . 1 1 127 127 MET H H 127 7.487 7.487 7.699 -0.212 19221 4766 1 5 . 1 1 128 128 LEU N N 128 124.940 124.940 125.846 -0.906 19221 4767 1 5 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.924 -0.034 19221 4768 1 5 . 1 1 128 128 LEU C C 128 174.857 174.857 174.658 0.199 19221 4769 1 5 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.612 0.558 19221 4770 1 5 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.141 -1.051 19221 4771 1 5 . 1 1 128 128 LEU H H 128 8.961 8.961 9.009 -0.048 19221 4772 1 5 . 1 1 129 129 SER N N 129 119.080 119.080 115.430 3.650 19221 4773 1 5 . 1 1 129 129 SER HA H 129 5.503 5.503 5.208 0.295 19221 4774 1 5 . 1 1 129 129 SER C C 129 176.225 176.225 175.356 0.869 19221 4775 1 5 . 1 1 129 129 SER CA C 129 56.630 56.630 57.114 -0.484 19221 4776 1 5 . 1 1 129 129 SER CB C 129 66.030 66.030 64.796 1.234 19221 4777 1 5 . 1 1 129 129 SER H H 129 9.512 9.512 8.312 1.200 19221 4778 1 5 . 1 1 130 130 PHE N N 130 120.530 120.530 124.545 -4.015 19221 4779 1 5 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.045 0.395 19221 4780 1 5 . 1 1 130 130 PHE C C 130 179.046 179.046 177.321 1.725 19221 4781 1 5 . 1 1 130 130 PHE CA C 130 58.730 58.730 63.220 -4.490 19221 4782 1 5 . 1 1 130 130 PHE CB C 130 36.520 36.520 39.100 -2.580 19221 4783 1 5 . 1 1 130 130 PHE H H 130 8.712 8.712 9.278 -0.566 19221 4784 1 5 . 1 1 131 131 GLU N N 131 121.180 121.180 119.362 1.818 19221 4785 1 5 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.857 0.168 19221 4786 1 5 . 1 1 131 131 GLU C C 131 178.039 178.039 178.250 -0.211 19221 4787 1 5 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.094 -0.224 19221 4788 1 5 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.059 0.411 19221 4789 1 5 . 1 1 131 131 GLU H H 131 8.961 8.961 8.813 0.148 19221 4790 1 5 . 1 1 132 132 ASP N N 132 120.930 120.930 118.756 2.174 19221 4791 1 5 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.450 -0.053 19221 4792 1 5 . 1 1 132 132 ASP C C 132 180.369 180.369 178.723 1.646 19221 4793 1 5 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.135 0.555 19221 4794 1 5 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.620 0.120 19221 4795 1 5 . 1 1 132 132 ASP H H 132 8.369 8.369 7.512 0.857 19221 4796 1 5 . 1 1 133 133 ILE N N 133 120.360 120.360 120.296 0.064 19221 4797 1 5 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.579 -0.070 19221 4798 1 5 . 1 1 133 133 ILE C C 133 178.895 178.895 178.356 0.539 19221 4799 1 5 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.251 1.030 19221 4800 1 5 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.668 -0.138 19221 4801 1 5 . 1 1 133 133 ILE H H 133 8.062 8.062 8.057 0.005 19221 4802 1 5 . 1 1 134 134 SER N N 134 120.050 120.050 117.281 2.769 19221 4803 1 5 . 1 1 134 134 SER HA H 134 4.074 4.074 4.204 -0.130 19221 4804 1 5 . 1 1 134 134 SER C C 134 176.934 176.934 176.647 0.287 19221 4805 1 5 . 1 1 134 134 SER CA C 134 61.240 61.240 61.775 -0.535 19221 4806 1 5 . 1 1 134 134 SER CB C 134 63.400 63.400 62.772 0.628 19221 4807 1 5 . 1 1 134 134 SER H H 134 8.823 8.823 8.424 0.399 19221 4808 1 5 . 1 1 135 135 LYS N N 135 119.060 119.060 120.424 -1.364 19221 4809 1 5 . 1 1 135 135 LYS HA H 135 3.930 3.930 4.028 -0.098 19221 4810 1 5 . 1 1 135 135 LYS C C 135 178.986 178.986 178.738 0.248 19221 4811 1 5 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.404 0.866 19221 4812 1 5 . 1 1 135 135 LYS CB C 135 32.470 32.470 31.954 0.516 19221 4813 1 5 . 1 1 135 135 LYS H H 135 8.258 8.258 7.906 0.352 19221 4814 1 5 . 1 1 136 136 ALA N N 136 118.350 118.350 120.713 -2.363 19221 4815 1 5 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.199 0.003 19221 4816 1 5 . 1 1 136 136 ALA C C 136 178.653 178.653 178.508 0.145 19221 4817 1 5 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.932 -0.452 19221 4818 1 5 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.057 -0.216 19221 4819 1 5 . 1 1 136 136 ALA H H 136 7.538 7.538 8.095 -0.557 19221 4820 1 5 . 1 1 137 137 THR N N 137 101.770 101.770 109.529 -7.759 19221 4821 1 5 . 1 1 137 137 THR HA H 137 4.274 4.274 4.045 0.229 19221 4822 1 5 . 1 1 137 137 THR C C 137 172.932 172.932 175.228 -2.296 19221 4823 1 5 . 1 1 137 137 THR CA C 137 61.990 61.990 63.973 -1.983 19221 4824 1 5 . 1 1 137 137 THR CB C 137 71.200 71.200 69.570 1.630 19221 4825 1 5 . 1 1 137 137 THR H H 137 7.777 7.777 8.104 -0.327 19221 4826 1 5 . 1 1 138 138 HIS N N 138 113.660 113.660 118.139 -4.479 19221 4827 1 5 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.007 -0.048 19221 4828 1 5 . 1 1 138 138 HIS C C 138 173.700 173.700 174.082 -0.382 19221 4829 1 5 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.045 -0.716 19221 4830 1 5 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.834 -2.424 19221 4831 1 5 . 1 1 138 138 HIS H H 138 7.567 7.567 7.820 -0.253 19221 4832 1 5 . 1 1 139 139 LEU N N 139 120.070 120.070 119.837 0.233 19221 4833 1 5 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.795 0.048 19221 4834 1 5 . 1 1 139 139 LEU C C 139 174.376 174.376 175.236 -0.860 19221 4835 1 5 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.153 -0.283 19221 4836 1 5 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.334 2.416 19221 4837 1 5 . 1 1 139 139 LEU H H 139 7.513 7.513 7.386 0.127 19221 4838 1 5 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.572 -0.181 19221 4839 1 5 . 1 1 140 140 PRO C C 140 177.985 177.985 178.013 -0.028 19221 4840 1 5 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.365 0.025 19221 4841 1 5 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.554 -0.484 19221 4842 1 5 . 1 1 141 141 LYS N N 141 123.930 123.930 121.355 2.575 19221 4843 1 5 . 1 1 141 141 LYS HA H 141 3.819 3.819 4.008 -0.189 19221 4844 1 5 . 1 1 141 141 LYS C C 141 178.083 178.083 178.629 -0.546 19221 4845 1 5 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.671 0.159 19221 4846 1 5 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.235 -0.345 19221 4847 1 5 . 1 1 141 141 LYS H H 141 8.950 8.950 8.597 0.353 19221 4848 1 5 . 1 1 142 142 ASP N N 142 114.510 114.510 116.778 -2.268 19221 4849 1 5 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.408 0.087 19221 4850 1 5 . 1 1 142 142 ASP C C 142 176.656 176.656 177.706 -1.050 19221 4851 1 5 . 1 1 142 142 ASP CA C 142 55.590 55.590 57.111 -1.520 19221 4852 1 5 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.824 -1.084 19221 4853 1 5 . 1 1 142 142 ASP H H 142 8.491 8.491 8.489 0.002 19221 4854 1 5 . 1 1 143 143 ASN N N 143 116.400 116.400 116.111 0.289 19221 4855 1 5 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.891 0.175 19221 4856 1 5 . 1 1 143 143 ASN C C 143 175.954 175.954 176.937 -0.983 19221 4857 1 5 . 1 1 143 143 ASN CA C 143 53.220 53.220 54.530 -1.310 19221 4858 1 5 . 1 1 143 143 ASN CB C 143 40.950 40.950 39.796 1.154 19221 4859 1 5 . 1 1 143 143 ASN H H 143 8.191 8.191 8.014 0.177 19221 4860 1 5 . 1 1 144 144 VAL N N 144 120.490 120.490 120.628 -0.138 19221 4861 1 5 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.630 -0.307 19221 4862 1 5 . 1 1 144 144 VAL C C 144 176.423 176.423 177.036 -0.613 19221 4863 1 5 . 1 1 144 144 VAL CA C 144 66.990 66.990 67.055 -0.065 19221 4864 1 5 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.527 -0.087 19221 4865 1 5 . 1 1 144 144 VAL H H 144 7.472 7.472 8.033 -0.561 19221 4866 1 5 . 1 1 145 145 GLU N N 145 122.340 122.340 119.898 2.442 19221 4867 1 5 . 1 1 145 145 GLU HA H 145 3.261 3.261 4.189 -0.928 19221 4868 1 5 . 1 1 145 145 GLU C C 145 177.853 177.853 178.407 -0.554 19221 4869 1 5 . 1 1 145 145 GLU CA C 145 60.830 60.830 60.375 0.455 19221 4870 1 5 . 1 1 145 145 GLU CB C 145 28.810 28.810 29.163 -0.353 19221 4871 1 5 . 1 1 145 145 GLU H H 145 9.141 9.141 8.057 1.084 19221 4872 1 5 . 1 1 146 146 HIS N N 146 116.970 116.970 118.798 -1.828 19221 4873 1 5 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.392 -0.218 19221 4874 1 5 . 1 1 146 146 HIS C C 146 177.947 177.947 177.465 0.482 19221 4875 1 5 . 1 1 146 146 HIS CA C 146 59.540 59.540 59.749 -0.209 19221 4876 1 5 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.832 0.618 19221 4877 1 5 . 1 1 146 146 HIS H H 146 8.162 8.162 7.718 0.444 19221 4878 1 5 . 1 1 147 147 LEU N N 147 120.670 120.670 120.881 -0.211 19221 4879 1 5 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.162 -0.202 19221 4880 1 5 . 1 1 147 147 LEU C C 147 178.427 178.427 178.992 -0.565 19221 4881 1 5 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.203 0.067 19221 4882 1 5 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.639 0.097 19221 4883 1 5 . 1 1 147 147 LEU H H 147 7.336 7.336 7.975 -0.639 19221 4884 1 5 . 1 1 148 148 VAL N N 148 118.060 118.060 116.413 1.647 19221 4885 1 5 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.708 -0.485 19221 4886 1 5 . 1 1 148 148 VAL C C 148 177.801 177.801 177.968 -0.167 19221 4887 1 5 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.981 0.980 19221 4888 1 5 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.319 -0.309 19221 4889 1 5 . 1 1 148 148 VAL H H 148 8.172 8.172 8.303 -0.131 19221 4890 1 5 . 1 1 149 149 MET N N 149 117.770 117.770 119.364 -1.594 19221 4891 1 5 . 1 1 149 149 MET HA H 149 4.123 4.123 4.136 -0.013 19221 4892 1 5 . 1 1 149 149 MET C C 149 179.823 179.823 178.660 1.163 19221 4893 1 5 . 1 1 149 149 MET CA C 149 58.630 58.630 59.315 -0.685 19221 4894 1 5 . 1 1 149 149 MET CB C 149 31.496 31.496 31.926 -0.430 19221 4895 1 5 . 1 1 149 149 MET H H 149 8.585 8.585 8.490 0.095 19221 4896 1 5 . 1 1 150 150 ARG N N 150 121.900 121.900 119.870 2.030 19221 4897 1 5 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.099 -0.005 19221 4898 1 5 . 1 1 150 150 ARG C C 150 177.928 177.928 178.339 -0.411 19221 4899 1 5 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.082 -0.932 19221 4900 1 5 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.695 -0.945 19221 4901 1 5 . 1 1 150 150 ARG H H 150 8.160 8.160 8.156 0.004 19221 4902 1 5 . 1 1 151 151 ALA N N 151 121.710 121.710 122.393 -0.683 19221 4903 1 5 . 1 1 151 151 ALA HA H 151 3.798 3.798 4.051 -0.253 19221 4904 1 5 . 1 1 151 151 ALA C C 151 179.518 179.518 179.580 -0.062 19221 4905 1 5 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.154 0.586 19221 4906 1 5 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.255 -0.365 19221 4907 1 5 . 1 1 151 151 ALA H H 151 8.165 8.165 7.612 0.553 19221 4908 1 5 . 1 1 152 152 ILE N N 152 118.590 118.590 118.313 0.277 19221 4909 1 5 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.786 0.596 19221 4910 1 5 . 1 1 152 152 ILE C C 152 181.439 181.439 179.146 2.293 19221 4911 1 5 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.745 -0.185 19221 4912 1 5 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.889 0.811 19221 4913 1 5 . 1 1 152 152 ILE H H 152 8.331 8.331 8.141 0.190 19221 4914 1 5 . 1 1 153 153 SER N N 153 120.250 120.250 116.446 3.804 19221 4915 1 5 . 1 1 153 153 SER HA H 153 4.279 4.279 4.247 0.032 19221 4916 1 5 . 1 1 153 153 SER C C 153 176.745 176.745 175.998 0.747 19221 4917 1 5 . 1 1 153 153 SER CA C 153 62.040 62.040 61.567 0.473 19221 4918 1 5 . 1 1 153 153 SER CB C 153 62.930 62.930 63.083 -0.153 19221 4919 1 5 . 1 1 153 153 SER H H 153 8.756 8.756 8.127 0.629 19221 4920 1 5 . 1 1 154 154 LEU N N 154 119.480 119.480 118.370 1.110 19221 4921 1 5 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.221 0.124 19221 4922 1 5 . 1 1 154 154 LEU C C 154 177.351 177.351 177.332 0.019 19221 4923 1 5 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.656 -0.201 19221 4924 1 5 . 1 1 154 154 LEU CB C 154 44.000 44.000 42.076 1.924 19221 4925 1 5 . 1 1 154 154 LEU H H 154 8.129 8.129 8.025 0.104 19221 4926 1 5 . 1 1 155 155 GLY N N 155 106.990 106.990 106.076 0.914 19221 4927 1 5 . 1 1 155 155 GLY C C 155 174.867 174.867 175.134 -0.267 19221 4928 1 5 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.057 -0.257 19221 4929 1 5 . 1 1 155 155 GLY H H 155 8.023 8.023 7.968 0.055 19221 4930 1 5 . 1 1 156 156 LEU N N 156 116.510 116.510 119.387 -2.877 19221 4931 1 5 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.133 0.127 19221 4932 1 5 . 1 1 156 156 LEU C C 156 175.387 175.387 176.068 -0.681 19221 4933 1 5 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.430 -0.500 19221 4934 1 5 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.603 0.617 19221 4935 1 5 . 1 1 156 156 LEU H H 156 8.101 8.101 7.626 0.475 19221 4936 1 5 . 1 1 157 157 LEU N N 157 112.790 112.790 109.394 3.396 19221 4937 1 5 . 1 1 157 157 LEU HA H 157 5.000 5.000 4.956 0.044 19221 4938 1 5 . 1 1 157 157 LEU C C 157 175.382 175.382 175.265 0.117 19221 4939 1 5 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.249 0.391 19221 4940 1 5 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.680 0.880 19221 4941 1 5 . 1 1 157 157 LEU H H 157 7.194 7.194 7.357 -0.163 19221 4942 1 5 . 1 1 158 158 LYS N N 158 121.010 121.010 121.350 -0.340 19221 4943 1 5 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.838 -0.043 19221 4944 1 5 . 1 1 158 158 LYS C C 158 175.461 175.461 175.524 -0.063 19221 4945 1 5 . 1 1 158 158 LYS CA C 158 56.060 56.060 54.616 1.444 19221 4946 1 5 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.076 3.114 19221 4947 1 5 . 1 1 158 158 LYS H H 158 9.056 9.056 8.848 0.208 19221 4948 1 5 . 1 1 159 159 GLY N N 159 109.800 109.800 110.253 -0.453 19221 4949 1 5 . 1 1 159 159 GLY C C 159 170.992 170.992 172.905 -1.913 19221 4950 1 5 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.036 1.104 19221 4951 1 5 . 1 1 159 159 GLY H H 159 8.287 8.287 8.262 0.025 19221 4952 1 5 . 1 1 160 160 SER N N 160 112.940 112.940 116.178 -3.238 19221 4953 1 5 . 1 1 160 160 SER HA H 160 4.780 4.780 4.851 -0.071 19221 4954 1 5 . 1 1 160 160 SER C C 160 172.525 172.525 173.632 -1.107 19221 4955 1 5 . 1 1 160 160 SER CA C 160 56.840 56.840 57.681 -0.841 19221 4956 1 5 . 1 1 160 160 SER CB C 160 65.660 65.660 66.276 -0.616 19221 4957 1 5 . 1 1 160 160 SER H H 160 8.847 8.847 8.883 -0.036 19221 4958 1 5 . 1 1 161 161 ILE N N 161 123.020 123.020 125.805 -2.785 19221 4959 1 5 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.142 0.264 19221 4960 1 5 . 1 1 161 161 ILE C C 161 174.457 174.457 175.948 -1.491 19221 4961 1 5 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.633 -0.214 19221 4962 1 5 . 1 1 161 161 ILE CB C 161 40.228 40.228 39.014 1.214 19221 4963 1 5 . 1 1 161 161 ILE H H 161 8.867 8.867 8.660 0.207 19221 4964 1 5 . 1 1 162 162 ASP N N 162 128.130 128.130 127.268 0.862 19221 4965 1 5 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.896 0.020 19221 4966 1 5 . 1 1 162 162 ASP C C 162 176.575 176.575 176.493 0.082 19221 4967 1 5 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.722 -0.982 19221 4968 1 5 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.806 0.334 19221 4969 1 5 . 1 1 162 162 ASP H H 162 8.955 8.955 8.921 0.034 19221 4970 1 5 . 1 1 163 163 GLN N N 163 123.480 123.480 120.547 2.933 19221 4971 1 5 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.679 0.174 19221 4972 1 5 . 1 1 163 163 GLN C C 163 177.627 177.627 178.099 -0.472 19221 4973 1 5 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.821 0.389 19221 4974 1 5 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.222 0.698 19221 4975 1 5 . 1 1 163 163 GLN H H 163 8.982 8.982 8.739 0.243 19221 4976 1 5 . 1 1 164 164 VAL N N 164 119.220 119.220 119.990 -0.770 19221 4977 1 5 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.712 -0.029 19221 4978 1 5 . 1 1 164 164 VAL C C 164 177.519 177.519 177.190 0.329 19221 4979 1 5 . 1 1 164 164 VAL CA C 164 65.770 65.770 65.154 0.616 19221 4980 1 5 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.616 0.313 19221 4981 1 5 . 1 1 164 164 VAL H H 164 7.974 7.974 8.357 -0.383 19221 4982 1 5 . 1 1 165 165 ASN N N 165 114.430 114.430 116.279 -1.849 19221 4983 1 5 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.793 -0.192 19221 4984 1 5 . 1 1 165 165 ASN C C 165 172.795 172.795 174.349 -1.554 19221 4985 1 5 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.278 -0.378 19221 4986 1 5 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.252 -0.422 19221 4987 1 5 . 1 1 165 165 ASN H H 165 7.502 7.502 7.876 -0.374 19221 4988 1 5 . 1 1 166 166 GLU N N 166 116.970 116.970 114.982 1.988 19221 4989 1 5 . 1 1 166 166 GLU HA H 166 2.014 2.014 3.825 -1.811 19221 4990 1 5 . 1 1 166 166 GLU C C 166 174.562 174.562 174.525 0.037 19221 4991 1 5 . 1 1 166 166 GLU CA C 166 56.228 56.228 57.482 -1.254 19221 4992 1 5 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.725 -0.909 19221 4993 1 5 . 1 1 166 166 GLU H H 166 7.268 7.268 7.782 -0.514 19221 4994 1 5 . 1 1 167 167 LEU N N 167 117.360 117.360 117.908 -0.548 19221 4995 1 5 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.429 -0.431 19221 4996 1 5 . 1 1 167 167 LEU C C 167 175.659 175.659 175.811 -0.152 19221 4997 1 5 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.386 0.284 19221 4998 1 5 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.543 0.767 19221 4999 1 5 . 1 1 167 167 LEU H H 167 7.699 7.699 8.014 -0.315 19221 5000 1 5 . 1 1 168 168 VAL N N 168 125.350 125.350 118.483 6.867 19221 5001 1 5 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.671 0.168 19221 5002 1 5 . 1 1 168 168 VAL C C 168 174.792 174.792 174.700 0.092 19221 5003 1 5 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.135 -0.004 19221 5004 1 5 . 1 1 168 168 VAL CB C 168 34.349 34.349 35.940 -1.591 19221 5005 1 5 . 1 1 168 168 VAL H H 168 9.445 9.445 9.114 0.331 19221 5006 1 5 . 1 1 169 169 THR N N 169 123.020 123.020 122.454 0.566 19221 5007 1 5 . 1 1 169 169 THR HA H 169 4.869 4.869 5.102 -0.233 19221 5008 1 5 . 1 1 169 169 THR C C 169 173.876 173.876 173.780 0.096 19221 5009 1 5 . 1 1 169 169 THR CA C 169 61.580 61.580 61.458 0.122 19221 5010 1 5 . 1 1 169 169 THR CB C 169 69.750 69.750 69.599 0.151 19221 5011 1 5 . 1 1 169 169 THR H H 169 8.824 8.824 8.993 -0.169 19221 5012 1 5 . 1 1 170 170 ILE N N 170 126.700 126.700 127.749 -1.049 19221 5013 1 5 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.314 0.228 19221 5014 1 5 . 1 1 170 170 ILE C C 170 175.672 175.672 175.856 -0.184 19221 5015 1 5 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.776 -0.446 19221 5016 1 5 . 1 1 170 170 ILE CB C 170 39.610 39.610 39.858 -0.248 19221 5017 1 5 . 1 1 170 170 ILE H H 170 8.911 8.911 8.708 0.203 19221 5018 1 5 . 1 1 171 171 SER N N 171 122.780 122.780 118.434 4.346 19221 5019 1 5 . 1 1 171 171 SER HA H 171 4.670 4.670 4.773 -0.103 19221 5020 1 5 . 1 1 171 171 SER C C 171 174.700 174.700 173.419 1.281 19221 5021 1 5 . 1 1 171 171 SER CA C 171 58.280 58.280 59.084 -0.804 19221 5022 1 5 . 1 1 171 171 SER CB C 171 64.560 64.560 65.334 -0.774 19221 5023 1 5 . 1 1 171 171 SER H H 171 9.242 9.242 9.110 0.132 19221 5024 1 5 . 1 1 172 172 TRP N N 172 123.970 123.970 120.645 3.325 19221 5025 1 5 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.849 -0.214 19221 5026 1 5 . 1 1 172 172 TRP C C 172 172.618 172.618 173.239 -0.621 19221 5027 1 5 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.085 0.825 19221 5028 1 5 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.319 -0.669 19221 5029 1 5 . 1 1 172 172 TRP H H 172 7.929 7.929 7.671 0.258 19221 5030 1 5 . 1 1 173 173 VAL N N 173 123.660 123.660 122.524 1.136 19221 5031 1 5 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.156 -0.026 19221 5032 1 5 . 1 1 173 173 VAL C C 173 170.746 170.746 173.283 -2.537 19221 5033 1 5 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.686 -0.586 19221 5034 1 5 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.148 0.072 19221 5035 1 5 . 1 1 173 173 VAL H H 173 6.764 6.764 7.383 -0.619 19221 5036 1 5 . 1 1 174 174 GLN N N 174 126.430 126.430 126.679 -0.249 19221 5037 1 5 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.948 -0.342 19221 5038 1 5 . 1 1 174 174 GLN C C 174 172.955 172.955 173.971 -1.016 19221 5039 1 5 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.595 -0.545 19221 5040 1 5 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.396 1.364 19221 5041 1 5 . 1 1 174 174 GLN H H 174 7.071 7.071 8.177 -1.106 19221 5042 1 5 . 1 1 175 175 PRO HA H 175 3.861 3.861 2.546 1.315 19221 5043 1 5 . 1 1 175 175 PRO C C 175 175.955 175.955 176.031 -0.076 19221 5044 1 5 . 1 1 175 175 PRO CA C 175 62.750 62.750 61.940 0.810 19221 5045 1 5 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.814 0.586 19221 5046 1 6 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.368 -0.228 19221 5047 1 6 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.090 0.000 19221 5048 1 6 . 1 1 2 2 LYS CB C 2 32.930 32.930 33.114 -0.183 19221 5049 1 6 . 1 1 4 4 ASP C C 4 176.140 176.140 176.167 -0.027 19221 5050 1 6 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.626 1.904 19221 5051 1 6 . 1 1 4 4 ASP CB C 4 41.980 41.980 43.430 -1.450 19221 5052 1 6 . 1 1 5 5 PHE N N 5 122.270 122.270 120.772 1.498 19221 5053 1 6 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.342 -0.163 19221 5054 1 6 . 1 1 5 5 PHE C C 5 177.706 177.706 177.097 0.609 19221 5055 1 6 . 1 1 5 5 PHE CA C 5 61.880 61.880 62.238 -0.358 19221 5056 1 6 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.045 -0.145 19221 5057 1 6 . 1 1 5 5 PHE H H 5 7.853 7.853 9.083 -1.230 19221 5058 1 6 . 1 1 6 6 ASN N N 6 114.920 114.920 117.824 -2.904 19221 5059 1 6 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.518 -0.117 19221 5060 1 6 . 1 1 6 6 ASN C C 6 176.990 176.990 177.709 -0.719 19221 5061 1 6 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.398 0.072 19221 5062 1 6 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.188 1.035 19221 5063 1 6 . 1 1 6 6 ASN H H 6 8.051 8.051 9.236 -1.185 19221 5064 1 6 . 1 1 7 7 SER N N 7 112.970 112.970 117.292 -4.322 19221 5065 1 6 . 1 1 7 7 SER HA H 7 4.435 4.435 4.317 0.118 19221 5066 1 6 . 1 1 7 7 SER C C 7 177.780 177.780 176.604 1.176 19221 5067 1 6 . 1 1 7 7 SER CA C 7 61.440 61.440 61.207 0.233 19221 5068 1 6 . 1 1 7 7 SER CB C 7 62.770 62.770 63.093 -0.323 19221 5069 1 6 . 1 1 7 7 SER H H 7 8.041 8.041 7.607 0.434 19221 5070 1 6 . 1 1 8 8 PHE N N 8 123.560 123.560 124.519 -0.959 19221 5071 1 6 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.191 -0.124 19221 5072 1 6 . 1 1 8 8 PHE C C 8 177.959 177.959 176.963 0.996 19221 5073 1 6 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.862 0.248 19221 5074 1 6 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.167 -0.201 19221 5075 1 6 . 1 1 8 8 PHE H H 8 8.364 8.364 8.421 -0.057 19221 5076 1 6 . 1 1 9 9 TYR N N 9 122.550 122.550 121.017 1.533 19221 5077 1 6 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.073 -0.073 19221 5078 1 6 . 1 1 9 9 TYR C C 9 176.360 176.360 177.227 -0.867 19221 5079 1 6 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.199 -0.189 19221 5080 1 6 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.516 -0.315 19221 5081 1 6 . 1 1 9 9 TYR H H 9 8.230 8.230 9.137 -0.907 19221 5082 1 6 . 1 1 10 10 TYR N N 10 115.490 115.490 118.709 -3.219 19221 5083 1 6 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.075 0.031 19221 5084 1 6 . 1 1 10 10 TYR C C 10 180.280 180.280 177.441 2.839 19221 5085 1 6 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.839 0.681 19221 5086 1 6 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.464 -0.534 19221 5087 1 6 . 1 1 10 10 TYR H H 10 7.958 7.958 7.931 0.027 19221 5088 1 6 . 1 1 11 11 THR N N 11 115.140 115.140 116.755 -1.615 19221 5089 1 6 . 1 1 11 11 THR HA H 11 3.934 3.934 3.675 0.259 19221 5090 1 6 . 1 1 11 11 THR CA C 11 66.560 66.560 67.285 -0.725 19221 5091 1 6 . 1 1 11 11 THR CB C 11 68.750 68.750 67.926 0.824 19221 5092 1 6 . 1 1 11 11 THR H H 11 8.806 8.806 8.544 0.262 19221 5093 1 6 . 1 1 12 12 SER N N 12 120.384 120.384 117.760 2.624 19221 5094 1 6 . 1 1 12 12 SER HA H 12 3.346 3.346 4.114 -0.768 19221 5095 1 6 . 1 1 12 12 SER C C 12 175.891 175.891 176.587 -0.696 19221 5096 1 6 . 1 1 12 12 SER CA C 12 62.740 62.740 61.580 1.160 19221 5097 1 6 . 1 1 12 12 SER CB C 12 62.580 62.580 62.999 -0.419 19221 5098 1 6 . 1 1 12 12 SER H H 12 8.151 8.151 8.090 0.061 19221 5099 1 6 . 1 1 13 13 LEU N N 13 121.640 121.640 122.233 -0.593 19221 5100 1 6 . 1 1 13 13 LEU HA H 13 3.801 3.801 4.056 -0.255 19221 5101 1 6 . 1 1 13 13 LEU C C 13 180.374 180.374 178.263 2.111 19221 5102 1 6 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.252 1.098 19221 5103 1 6 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.827 -0.417 19221 5104 1 6 . 1 1 13 13 LEU H H 13 7.893 7.893 7.640 0.253 19221 5105 1 6 . 1 1 14 14 LEU N N 14 120.470 120.470 120.604 -0.134 19221 5106 1 6 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.773 0.388 19221 5107 1 6 . 1 1 14 14 LEU C C 14 179.880 179.880 178.638 1.242 19221 5108 1 6 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.917 0.083 19221 5109 1 6 . 1 1 14 14 LEU CB C 14 41.550 41.550 40.806 0.744 19221 5110 1 6 . 1 1 14 14 LEU H H 14 7.528 7.528 8.164 -0.636 19221 5111 1 6 . 1 1 15 15 TYR N N 15 122.257 122.257 119.895 2.362 19221 5112 1 6 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.042 0.223 19221 5113 1 6 . 1 1 15 15 TYR C C 15 177.033 177.033 177.413 -0.380 19221 5114 1 6 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.925 -1.195 19221 5115 1 6 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.146 -0.046 19221 5116 1 6 . 1 1 15 15 TYR H H 15 8.135 8.135 8.320 -0.185 19221 5117 1 6 . 1 1 16 16 LEU N N 16 118.440 118.440 118.095 0.345 19221 5118 1 6 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.690 0.115 19221 5119 1 6 . 1 1 16 16 LEU C C 16 179.055 179.055 179.406 -0.351 19221 5120 1 6 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.439 -0.226 19221 5121 1 6 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.558 0.507 19221 5122 1 6 . 1 1 16 16 LEU H H 16 8.452 8.452 7.582 0.870 19221 5123 1 6 . 1 1 17 17 SER N N 17 114.450 114.450 113.978 0.472 19221 5124 1 6 . 1 1 17 17 SER HA H 17 4.430 4.430 4.153 0.277 19221 5125 1 6 . 1 1 17 17 SER C C 17 175.197 175.197 175.728 -0.531 19221 5126 1 6 . 1 1 17 17 SER CA C 17 61.040 61.040 60.770 0.270 19221 5127 1 6 . 1 1 17 17 SER CB C 17 63.460 63.460 63.190 0.270 19221 5128 1 6 . 1 1 17 17 SER H H 17 7.848 7.848 7.713 0.135 19221 5129 1 6 . 1 1 18 18 THR N N 18 110.850 110.850 114.130 -3.280 19221 5130 1 6 . 1 1 18 18 THR HA H 18 4.452 4.452 4.250 0.202 19221 5131 1 6 . 1 1 18 18 THR C C 18 174.439 174.439 174.529 -0.090 19221 5132 1 6 . 1 1 18 18 THR CA C 18 61.421 61.421 63.238 -1.817 19221 5133 1 6 . 1 1 18 18 THR CB C 18 69.940 69.940 69.576 0.364 19221 5134 1 6 . 1 1 18 18 THR H H 18 7.505 7.505 7.598 -0.093 19221 5135 1 6 . 1 1 19 19 LEU N N 19 123.180 123.180 122.992 0.188 19221 5136 1 6 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.096 0.063 19221 5137 1 6 . 1 1 19 19 LEU C C 19 176.926 176.926 176.382 0.544 19221 5138 1 6 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.456 -0.166 19221 5139 1 6 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.445 0.003 19221 5140 1 6 . 1 1 19 19 LEU H H 19 7.095 7.095 7.231 -0.136 19221 5141 1 6 . 1 1 20 20 GLU N N 20 125.330 125.330 120.075 5.255 19221 5142 1 6 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.676 -0.068 19221 5143 1 6 . 1 1 20 20 GLU C C 20 175.915 175.915 175.310 0.605 19221 5144 1 6 . 1 1 20 20 GLU CA C 20 54.773 54.773 53.669 1.104 19221 5145 1 6 . 1 1 20 20 GLU CB C 20 29.590 29.590 31.396 -1.806 19221 5146 1 6 . 1 1 20 20 GLU H H 20 8.535 8.535 8.255 0.280 19221 5147 1 6 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.490 -0.157 19221 5148 1 6 . 1 1 21 21 PRO C C 21 177.196 177.196 178.240 -1.044 19221 5149 1 6 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.385 0.395 19221 5150 1 6 . 1 1 21 21 PRO CB C 21 31.850 31.850 32.115 -0.265 19221 5151 1 6 . 1 1 22 22 SER N N 22 111.220 111.220 115.957 -4.737 19221 5152 1 6 . 1 1 22 22 SER HA H 22 4.398 4.398 4.254 0.144 19221 5153 1 6 . 1 1 22 22 SER C C 22 175.056 175.056 175.323 -0.267 19221 5154 1 6 . 1 1 22 22 SER CA C 22 58.530 58.530 60.441 -1.911 19221 5155 1 6 . 1 1 22 22 SER CB C 22 63.500 63.500 63.282 0.218 19221 5156 1 6 . 1 1 22 22 SER H H 22 7.967 7.967 8.431 -0.464 19221 5157 1 6 . 1 1 23 23 THR N N 23 117.440 117.440 114.412 3.028 19221 5158 1 6 . 1 1 23 23 THR HA H 23 4.279 4.279 4.523 -0.244 19221 5159 1 6 . 1 1 23 23 THR C C 23 174.573 174.573 173.103 1.470 19221 5160 1 6 . 1 1 23 23 THR CA C 23 62.920 62.920 61.359 1.561 19221 5161 1 6 . 1 1 23 23 THR CB C 23 69.260 69.260 69.328 -0.067 19221 5162 1 6 . 1 1 23 23 THR H H 23 7.936 7.936 7.579 0.357 19221 5163 1 6 . 1 1 24 24 SER N N 24 119.820 119.820 117.793 2.027 19221 5164 1 6 . 1 1 24 24 SER HA H 24 4.485 4.485 4.283 0.202 19221 5165 1 6 . 1 1 24 24 SER C C 24 174.082 174.082 175.065 -0.983 19221 5166 1 6 . 1 1 24 24 SER CA C 24 58.600 58.600 58.650 -0.050 19221 5167 1 6 . 1 1 24 24 SER CB C 24 63.430 63.430 63.836 -0.405 19221 5168 1 6 . 1 1 24 24 SER H H 24 8.438 8.438 8.028 0.410 19221 5169 1 6 . 1 1 25 25 ILE N N 25 123.140 123.140 121.713 1.427 19221 5170 1 6 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.112 0.367 19221 5171 1 6 . 1 1 25 25 ILE C C 25 176.472 176.472 176.703 -0.231 19221 5172 1 6 . 1 1 25 25 ILE CA C 25 61.010 61.010 61.337 -0.328 19221 5173 1 6 . 1 1 25 25 ILE CB C 25 39.460 39.460 38.316 1.144 19221 5174 1 6 . 1 1 25 25 ILE H H 25 7.870 7.870 8.284 -0.414 19221 5175 1 6 . 1 1 26 26 THR N N 26 118.120 118.120 115.292 2.828 19221 5176 1 6 . 1 1 26 26 THR HA H 26 4.394 4.394 4.469 -0.075 19221 5177 1 6 . 1 1 26 26 THR C C 26 175.540 175.540 175.306 0.234 19221 5178 1 6 . 1 1 26 26 THR CA C 26 61.890 61.890 60.541 1.349 19221 5179 1 6 . 1 1 26 26 THR CB C 26 71.320 71.320 70.881 0.439 19221 5180 1 6 . 1 1 26 26 THR H H 26 8.649 8.649 8.186 0.463 19221 5181 1 6 . 1 1 27 27 LEU N N 27 123.130 123.130 121.248 1.882 19221 5182 1 6 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.136 -0.047 19221 5183 1 6 . 1 1 27 27 LEU C C 27 178.653 178.653 178.271 0.382 19221 5184 1 6 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.778 0.982 19221 5185 1 6 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.444 -0.264 19221 5186 1 6 . 1 1 27 27 LEU H H 27 8.766 8.766 8.503 0.263 19221 5187 1 6 . 1 1 28 28 ALA N N 28 119.510 119.510 121.141 -1.631 19221 5188 1 6 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.018 0.245 19221 5189 1 6 . 1 1 28 28 ALA C C 28 178.218 178.218 179.711 -1.493 19221 5190 1 6 . 1 1 28 28 ALA CA C 28 55.320 55.320 55.161 0.159 19221 5191 1 6 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.144 -0.024 19221 5192 1 6 . 1 1 28 28 ALA H H 28 8.546 8.546 8.301 0.245 19221 5193 1 6 . 1 1 29 29 GLU N N 29 118.210 118.210 117.825 0.385 19221 5194 1 6 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.113 -0.032 19221 5195 1 6 . 1 1 29 29 GLU C C 29 179.929 179.929 179.372 0.557 19221 5196 1 6 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.155 0.145 19221 5197 1 6 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.481 0.595 19221 5198 1 6 . 1 1 29 29 GLU H H 29 7.719 7.719 8.130 -0.411 19221 5199 1 6 . 1 1 30 30 ARG N N 30 121.350 121.350 120.398 0.952 19221 5200 1 6 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.022 -0.063 19221 5201 1 6 . 1 1 30 30 ARG C C 30 177.538 177.538 178.876 -1.338 19221 5202 1 6 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.646 0.999 19221 5203 1 6 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.067 0.933 19221 5204 1 6 . 1 1 30 30 ARG H H 30 8.410 8.410 8.069 0.341 19221 5205 1 6 . 1 1 31 31 GLN N N 31 117.670 117.670 118.996 -1.326 19221 5206 1 6 . 1 1 31 31 GLN HA H 31 3.952 3.952 3.941 0.011 19221 5207 1 6 . 1 1 31 31 GLN C C 31 178.220 178.220 178.698 -0.478 19221 5208 1 6 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.248 -0.293 19221 5209 1 6 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.531 0.099 19221 5210 1 6 . 1 1 31 31 GLN H H 31 8.742 8.742 8.363 0.379 19221 5211 1 6 . 1 1 32 32 GLN N N 32 117.910 117.910 118.680 -0.770 19221 5212 1 6 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.036 -0.049 19221 5213 1 6 . 1 1 32 32 GLN C C 32 177.712 177.712 178.740 -1.028 19221 5214 1 6 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.083 0.247 19221 5215 1 6 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.198 0.122 19221 5216 1 6 . 1 1 32 32 GLN H H 32 7.732 7.732 7.793 -0.061 19221 5217 1 6 . 1 1 33 33 LEU N N 33 119.680 119.680 121.424 -1.744 19221 5218 1 6 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.119 0.285 19221 5219 1 6 . 1 1 33 33 LEU C C 33 178.876 178.876 177.927 0.949 19221 5220 1 6 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.116 0.934 19221 5221 1 6 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.424 0.376 19221 5222 1 6 . 1 1 33 33 LEU H H 33 7.846 7.846 8.402 -0.556 19221 5223 1 6 . 1 1 34 34 ALA N N 34 121.660 121.660 122.867 -1.207 19221 5224 1 6 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.986 -0.245 19221 5225 1 6 . 1 1 34 34 ALA C C 34 180.025 180.025 179.223 0.802 19221 5226 1 6 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.259 0.411 19221 5227 1 6 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.040 0.900 19221 5228 1 6 . 1 1 34 34 ALA H H 34 8.308 8.308 8.568 -0.260 19221 5229 1 6 . 1 1 35 35 TYR N N 35 120.860 120.860 119.681 1.179 19221 5230 1 6 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.850 -0.092 19221 5231 1 6 . 1 1 35 35 TYR C C 35 176.384 176.384 177.219 -0.835 19221 5232 1 6 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.817 0.203 19221 5233 1 6 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.948 0.512 19221 5234 1 6 . 1 1 35 35 TYR H H 35 8.457 8.457 8.402 0.055 19221 5235 1 6 . 1 1 36 36 ASP N N 36 120.570 120.570 119.551 1.019 19221 5236 1 6 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.114 0.121 19221 5237 1 6 . 1 1 36 36 ASP C C 36 180.544 180.544 178.689 1.855 19221 5238 1 6 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.597 0.343 19221 5239 1 6 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.870 -0.400 19221 5240 1 6 . 1 1 36 36 ASP H H 36 9.072 9.072 8.414 0.658 19221 5241 1 6 . 1 1 37 37 LEU N N 37 123.000 123.000 120.257 2.743 19221 5242 1 6 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.046 0.100 19221 5243 1 6 . 1 1 37 37 LEU C C 37 178.743 178.743 179.175 -0.432 19221 5244 1 6 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.549 0.065 19221 5245 1 6 . 1 1 37 37 LEU CB C 37 42.810 42.810 42.043 0.767 19221 5246 1 6 . 1 1 37 37 LEU H H 37 9.068 9.068 8.475 0.593 19221 5247 1 6 . 1 1 38 38 SER N N 38 116.650 116.650 115.689 0.961 19221 5248 1 6 . 1 1 38 38 SER HA H 38 3.680 3.680 4.258 -0.578 19221 5249 1 6 . 1 1 38 38 SER C C 38 174.113 174.113 176.737 -2.624 19221 5250 1 6 . 1 1 38 38 SER CA C 38 59.430 59.430 62.348 -2.918 19221 5251 1 6 . 1 1 38 38 SER CB C 38 63.559 63.559 62.864 0.695 19221 5252 1 6 . 1 1 38 38 SER H H 38 7.824 7.824 8.167 -0.343 19221 5253 1 6 . 1 1 39 39 ILE N N 39 121.198 121.198 122.054 -0.856 19221 5254 1 6 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.603 -0.198 19221 5255 1 6 . 1 1 39 39 ILE C C 39 176.113 176.113 177.814 -1.701 19221 5256 1 6 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.535 -1.175 19221 5257 1 6 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.662 -1.314 19221 5258 1 6 . 1 1 39 39 ILE H H 39 8.313 8.313 8.441 -0.128 19221 5259 1 6 . 1 1 40 40 SER N N 40 115.537 115.537 115.854 -0.317 19221 5260 1 6 . 1 1 40 40 SER HA H 40 4.534 4.534 4.302 0.232 19221 5261 1 6 . 1 1 40 40 SER C C 40 174.881 174.881 176.076 -1.195 19221 5262 1 6 . 1 1 40 40 SER CA C 40 62.520 62.520 62.131 0.389 19221 5263 1 6 . 1 1 40 40 SER CB C 40 62.670 62.670 62.940 -0.270 19221 5264 1 6 . 1 1 40 40 SER H H 40 7.961 7.961 8.502 -0.541 19221 5265 1 6 . 1 1 41 41 ALA N N 41 123.360 123.360 124.138 -0.778 19221 5266 1 6 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.898 -0.306 19221 5267 1 6 . 1 1 41 41 ALA C C 41 178.822 178.822 179.248 -0.426 19221 5268 1 6 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.670 -0.548 19221 5269 1 6 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.476 -0.086 19221 5270 1 6 . 1 1 41 41 ALA H H 41 7.878 7.878 8.065 -0.187 19221 5271 1 6 . 1 1 42 42 LEU N N 42 115.790 115.790 119.021 -3.231 19221 5272 1 6 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.182 -0.606 19221 5273 1 6 . 1 1 42 42 LEU C C 42 179.683 179.683 179.563 0.120 19221 5274 1 6 . 1 1 42 42 LEU CA C 42 58.731 58.731 58.252 0.479 19221 5275 1 6 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.221 -0.011 19221 5276 1 6 . 1 1 42 42 LEU H H 42 7.737 7.737 8.245 -0.508 19221 5277 1 6 . 1 1 43 43 LEU N N 43 113.670 113.670 115.041 -1.371 19221 5278 1 6 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.383 -0.376 19221 5279 1 6 . 1 1 43 43 LEU C C 43 177.279 177.279 177.104 0.175 19221 5280 1 6 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.340 0.591 19221 5281 1 6 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.967 -0.146 19221 5282 1 6 . 1 1 43 43 LEU H H 43 7.798 7.798 8.106 -0.308 19221 5283 1 6 . 1 1 44 44 GLY N N 44 108.270 108.270 107.556 0.714 19221 5284 1 6 . 1 1 44 44 GLY C C 44 177.020 177.020 173.906 3.114 19221 5285 1 6 . 1 1 44 44 GLY CA C 44 46.890 46.890 45.141 1.749 19221 5286 1 6 . 1 1 44 44 GLY H H 44 7.984 7.984 7.140 0.844 19221 5287 1 6 . 1 1 45 45 ASP N N 45 128.400 128.400 126.103 2.297 19221 5288 1 6 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.894 -0.335 19221 5289 1 6 . 1 1 45 45 ASP C C 45 177.183 177.183 175.189 1.994 19221 5290 1 6 . 1 1 45 45 ASP CA C 45 55.450 55.450 54.133 1.317 19221 5291 1 6 . 1 1 45 45 ASP CB C 45 39.790 39.790 39.656 0.134 19221 5292 1 6 . 1 1 45 45 ASP H H 45 9.073 9.073 8.656 0.417 19221 5293 1 6 . 1 1 46 46 LYS N N 46 117.230 117.230 116.804 0.426 19221 5294 1 6 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.330 0.615 19221 5295 1 6 . 1 1 46 46 LYS C C 46 176.544 176.544 175.219 1.325 19221 5296 1 6 . 1 1 46 46 LYS CA C 46 55.610 55.610 57.166 -1.556 19221 5297 1 6 . 1 1 46 46 LYS CB C 46 33.960 33.960 34.068 -0.108 19221 5298 1 6 . 1 1 46 46 LYS H H 46 8.987 8.987 7.935 1.052 19221 5299 1 6 . 1 1 47 47 ILE N N 47 121.540 121.540 122.094 -0.554 19221 5300 1 6 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.845 0.252 19221 5301 1 6 . 1 1 47 47 ILE C C 47 174.082 174.082 175.676 -1.594 19221 5302 1 6 . 1 1 47 47 ILE CA C 47 61.080 61.080 62.275 -1.195 19221 5303 1 6 . 1 1 47 47 ILE CB C 47 37.008 37.008 37.762 -0.754 19221 5304 1 6 . 1 1 47 47 ILE H H 47 6.840 6.840 8.070 -1.230 19221 5305 1 6 . 1 1 48 48 TYR N N 48 123.820 123.820 124.083 -0.263 19221 5306 1 6 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.040 0.269 19221 5307 1 6 . 1 1 48 48 TYR C C 48 173.249 173.249 174.293 -1.044 19221 5308 1 6 . 1 1 48 48 TYR CA C 48 57.350 57.350 56.703 0.647 19221 5309 1 6 . 1 1 48 48 TYR CB C 48 39.230 39.230 38.927 0.303 19221 5310 1 6 . 1 1 48 48 TYR H H 48 8.511 8.511 8.038 0.473 19221 5311 1 6 . 1 1 49 49 ASN N N 49 116.100 116.100 119.473 -3.373 19221 5312 1 6 . 1 1 49 49 ASN HA H 49 4.451 4.451 3.941 0.510 19221 5313 1 6 . 1 1 49 49 ASN C C 49 175.429 175.429 176.815 -1.386 19221 5314 1 6 . 1 1 49 49 ASN CA C 49 53.077 53.077 55.169 -2.092 19221 5315 1 6 . 1 1 49 49 ASN CB C 49 39.916 39.916 37.957 1.959 19221 5316 1 6 . 1 1 49 49 ASN H H 49 6.906 6.906 7.897 -0.991 19221 5317 1 6 . 1 1 50 50 PHE N N 50 124.360 124.360 113.951 10.409 19221 5318 1 6 . 1 1 50 50 PHE HA H 50 5.011 5.011 3.967 1.044 19221 5319 1 6 . 1 1 50 50 PHE C C 50 176.190 176.190 176.909 -0.719 19221 5320 1 6 . 1 1 50 50 PHE CA C 50 55.863 55.863 60.323 -4.460 19221 5321 1 6 . 1 1 50 50 PHE CB C 50 38.482 38.482 36.617 1.865 19221 5322 1 6 . 1 1 50 50 PHE H H 50 8.980 8.980 7.895 1.085 19221 5323 1 6 . 1 1 51 51 GLY N N 51 109.740 109.740 106.400 3.340 19221 5324 1 6 . 1 1 51 51 GLY C C 51 175.758 175.758 175.900 -0.142 19221 5325 1 6 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.099 1.201 19221 5326 1 6 . 1 1 51 51 GLY H H 51 8.658 8.658 8.367 0.291 19221 5327 1 6 . 1 1 52 52 GLU N N 52 120.700 120.700 122.336 -1.636 19221 5328 1 6 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.162 -0.080 19221 5329 1 6 . 1 1 52 52 GLU C C 52 178.240 178.240 179.352 -1.112 19221 5330 1 6 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.454 -0.244 19221 5331 1 6 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.256 0.482 19221 5332 1 6 . 1 1 52 52 GLU H H 52 8.321 8.321 8.754 -0.433 19221 5333 1 6 . 1 1 53 53 LEU N N 53 119.400 119.400 122.582 -3.182 19221 5334 1 6 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.187 -0.029 19221 5335 1 6 . 1 1 53 53 LEU C C 53 178.344 178.344 178.902 -0.558 19221 5336 1 6 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.949 -0.159 19221 5337 1 6 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.091 0.749 19221 5338 1 6 . 1 1 53 53 LEU H H 53 7.694 7.694 8.084 -0.390 19221 5339 1 6 . 1 1 54 54 LEU N N 54 114.230 114.230 114.587 -0.357 19221 5340 1 6 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.120 -0.197 19221 5341 1 6 . 1 1 54 54 LEU C C 54 178.643 178.643 177.347 1.296 19221 5342 1 6 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.552 1.178 19221 5343 1 6 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.804 0.046 19221 5344 1 6 . 1 1 54 54 LEU H H 54 8.369 8.369 8.263 0.106 19221 5345 1 6 . 1 1 55 55 HIS N N 55 113.420 113.420 111.914 1.506 19221 5346 1 6 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.831 -0.124 19221 5347 1 6 . 1 1 55 55 HIS C C 55 173.981 173.981 174.883 -0.902 19221 5348 1 6 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.499 0.021 19221 5349 1 6 . 1 1 55 55 HIS CB C 55 29.280 29.280 30.860 -1.580 19221 5350 1 6 . 1 1 55 55 HIS H H 55 7.569 7.569 7.591 -0.022 19221 5351 1 6 . 1 1 56 56 HIS N N 56 126.050 126.050 123.177 2.873 19221 5352 1 6 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.669 -0.188 19221 5353 1 6 . 1 1 56 56 HIS C C 56 176.705 176.705 174.824 1.881 19221 5354 1 6 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.435 2.915 19221 5355 1 6 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.330 0.390 19221 5356 1 6 . 1 1 56 56 HIS H H 56 8.068 8.068 7.949 0.119 19221 5357 1 6 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.282 0.095 19221 5358 1 6 . 1 1 57 57 PRO C C 57 179.790 179.790 178.379 1.411 19221 5359 1 6 . 1 1 57 57 PRO CA C 57 65.440 65.440 65.301 0.139 19221 5360 1 6 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.699 0.731 19221 5361 1 6 . 1 1 58 58 ILE N N 58 124.900 124.900 119.063 5.837 19221 5362 1 6 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.674 0.596 19221 5363 1 6 . 1 1 58 58 ILE C C 58 177.782 177.782 177.060 0.722 19221 5364 1 6 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.905 -1.375 19221 5365 1 6 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.462 0.808 19221 5366 1 6 . 1 1 58 58 ILE H H 58 11.871 11.871 7.449 4.422 19221 5367 1 6 . 1 1 59 59 MET N N 59 120.230 120.230 116.330 3.900 19221 5368 1 6 . 1 1 59 59 MET HA H 59 4.431 4.431 4.244 0.187 19221 5369 1 6 . 1 1 59 59 MET C C 59 178.757 178.757 178.860 -0.103 19221 5370 1 6 . 1 1 59 59 MET CA C 59 55.720 55.720 55.961 -0.241 19221 5371 1 6 . 1 1 59 59 MET CB C 59 30.980 30.980 30.750 0.230 19221 5372 1 6 . 1 1 59 59 MET H H 59 8.152 8.152 8.133 0.019 19221 5373 1 6 . 1 1 60 60 GLU N N 60 119.080 119.080 119.585 -0.505 19221 5374 1 6 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.994 0.014 19221 5375 1 6 . 1 1 60 60 GLU C C 60 178.242 178.242 178.062 0.180 19221 5376 1 6 . 1 1 60 60 GLU CA C 60 58.520 58.520 58.668 -0.148 19221 5377 1 6 . 1 1 60 60 GLU CB C 60 29.547 29.547 29.336 0.211 19221 5378 1 6 . 1 1 60 60 GLU H H 60 7.889 7.889 7.937 -0.048 19221 5379 1 6 . 1 1 61 61 THR N N 61 106.740 106.740 110.538 -3.798 19221 5380 1 6 . 1 1 61 61 THR HA H 61 4.120 4.120 4.225 -0.105 19221 5381 1 6 . 1 1 61 61 THR C C 61 176.056 176.056 175.560 0.496 19221 5382 1 6 . 1 1 61 61 THR CA C 61 64.520 64.520 63.797 0.723 19221 5383 1 6 . 1 1 61 61 THR CB C 61 69.420 69.420 69.485 -0.065 19221 5384 1 6 . 1 1 61 61 THR H H 61 7.558 7.558 7.689 -0.131 19221 5385 1 6 . 1 1 62 62 ILE N N 62 113.140 113.140 115.170 -2.030 19221 5386 1 6 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.485 0.102 19221 5387 1 6 . 1 1 62 62 ILE C C 62 176.843 176.843 175.940 0.903 19221 5388 1 6 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.100 0.690 19221 5389 1 6 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.246 0.124 19221 5390 1 6 . 1 1 62 62 ILE H H 62 7.235 7.235 7.538 -0.303 19221 5391 1 6 . 1 1 63 63 VAL N N 63 122.110 122.110 118.471 3.639 19221 5392 1 6 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.511 -0.165 19221 5393 1 6 . 1 1 63 63 VAL C C 63 175.165 175.165 175.871 -0.706 19221 5394 1 6 . 1 1 63 63 VAL CA C 63 64.440 64.440 63.155 1.285 19221 5395 1 6 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.543 -0.344 19221 5396 1 6 . 1 1 63 63 VAL H H 63 7.436 7.436 7.614 -0.178 19221 5397 1 6 . 1 1 64 64 ASN N N 64 116.810 116.810 120.455 -3.645 19221 5398 1 6 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.289 0.492 19221 5399 1 6 . 1 1 64 64 ASN C C 64 174.101 174.101 176.410 -2.309 19221 5400 1 6 . 1 1 64 64 ASN CA C 64 52.900 52.900 55.183 -2.283 19221 5401 1 6 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.012 0.767 19221 5402 1 6 . 1 1 64 64 ASN H H 64 8.352 8.352 9.321 -0.969 19221 5403 1 6 . 1 1 65 65 ASP N N 65 120.930 120.930 121.395 -0.465 19221 5404 1 6 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.481 0.399 19221 5405 1 6 . 1 1 65 65 ASP C C 65 177.534 177.534 176.852 0.682 19221 5406 1 6 . 1 1 65 65 ASP CA C 65 53.170 53.170 55.669 -2.499 19221 5407 1 6 . 1 1 65 65 ASP CB C 65 43.100 43.100 40.513 2.587 19221 5408 1 6 . 1 1 65 65 ASP H H 65 7.453 7.453 7.848 -0.395 19221 5409 1 6 . 1 1 66 66 SER HA H 66 4.356 4.356 4.120 0.236 19221 5410 1 6 . 1 1 66 66 SER C C 66 176.310 176.310 173.531 2.779 19221 5411 1 6 . 1 1 66 66 SER CA C 66 61.350 61.350 59.520 1.830 19221 5412 1 6 . 1 1 66 66 SER CB C 66 63.120 63.120 61.702 1.419 19221 5413 1 6 . 1 1 66 66 SER H H 66 7.010 7.010 8.521 -1.511 19221 5414 1 6 . 1 1 67 67 ASN N N 67 120.050 120.050 116.801 3.249 19221 5415 1 6 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.918 -0.314 19221 5416 1 6 . 1 1 67 67 ASN C C 67 176.107 176.107 175.391 0.716 19221 5417 1 6 . 1 1 67 67 ASN CA C 67 55.570 55.570 54.171 1.399 19221 5418 1 6 . 1 1 67 67 ASN CB C 67 38.600 38.600 40.257 -1.657 19221 5419 1 6 . 1 1 67 67 ASN H H 67 9.014 9.014 8.778 0.236 19221 5420 1 6 . 1 1 68 68 TYR N N 68 114.840 114.840 118.125 -3.285 19221 5421 1 6 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.167 0.352 19221 5422 1 6 . 1 1 68 68 TYR C C 68 175.709 175.709 176.294 -0.585 19221 5423 1 6 . 1 1 68 68 TYR CA C 68 57.610 57.610 58.069 -0.459 19221 5424 1 6 . 1 1 68 68 TYR CB C 68 39.750 39.750 40.851 -1.101 19221 5425 1 6 . 1 1 68 68 TYR H H 68 8.276 8.276 9.159 -0.883 19221 5426 1 6 . 1 1 69 69 ASP N N 69 122.810 122.810 122.679 0.131 19221 5427 1 6 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.195 0.257 19221 5428 1 6 . 1 1 69 69 ASP C C 69 178.371 178.371 177.526 0.845 19221 5429 1 6 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.383 0.247 19221 5430 1 6 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.997 -0.367 19221 5431 1 6 . 1 1 69 69 ASP H H 69 7.806 7.806 8.842 -1.036 19221 5432 1 6 . 1 1 70 70 TRP N N 70 117.270 117.270 117.708 -0.438 19221 5433 1 6 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.398 -0.234 19221 5434 1 6 . 1 1 70 70 TRP C C 70 176.090 176.090 177.577 -1.487 19221 5435 1 6 . 1 1 70 70 TRP CA C 70 58.530 58.530 58.892 -0.362 19221 5436 1 6 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.254 -0.704 19221 5437 1 6 . 1 1 70 70 TRP H H 70 8.172 8.172 7.753 0.419 19221 5438 1 6 . 1 1 71 71 LEU N N 71 125.263 125.263 121.582 3.681 19221 5439 1 6 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.913 -0.673 19221 5440 1 6 . 1 1 71 71 LEU C C 71 178.306 178.306 178.385 -0.079 19221 5441 1 6 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.320 0.290 19221 5442 1 6 . 1 1 71 71 LEU CB C 71 41.190 41.190 41.206 -0.016 19221 5443 1 6 . 1 1 71 71 LEU H H 71 6.251 6.251 7.095 -0.844 19221 5444 1 6 . 1 1 72 72 PHE N N 72 117.630 117.630 119.874 -2.244 19221 5445 1 6 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.992 -0.179 19221 5446 1 6 . 1 1 72 72 PHE C C 72 178.797 178.797 177.170 1.627 19221 5447 1 6 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.727 0.844 19221 5448 1 6 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.986 -0.176 19221 5449 1 6 . 1 1 72 72 PHE H H 72 6.996 6.996 7.412 -0.416 19221 5450 1 6 . 1 1 73 73 GLN N N 73 117.950 117.950 118.540 -0.590 19221 5451 1 6 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.896 0.170 19221 5452 1 6 . 1 1 73 73 GLN C C 73 179.341 179.341 178.256 1.085 19221 5453 1 6 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.882 0.208 19221 5454 1 6 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.723 -0.472 19221 5455 1 6 . 1 1 73 73 GLN H H 73 8.415 8.415 8.405 0.010 19221 5456 1 6 . 1 1 74 74 LEU N N 74 122.275 122.275 122.585 -0.310 19221 5457 1 6 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.097 -0.027 19221 5458 1 6 . 1 1 74 74 LEU C C 74 177.889 177.889 178.245 -0.356 19221 5459 1 6 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.733 0.837 19221 5460 1 6 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.802 0.378 19221 5461 1 6 . 1 1 74 74 LEU H H 74 8.365 8.365 7.984 0.381 19221 5462 1 6 . 1 1 75 75 LEU N N 75 118.123 118.123 119.273 -1.150 19221 5463 1 6 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.451 0.276 19221 5464 1 6 . 1 1 75 75 LEU C C 75 180.172 180.172 178.692 1.480 19221 5465 1 6 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.297 0.155 19221 5466 1 6 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.018 1.322 19221 5467 1 6 . 1 1 75 75 LEU H H 75 8.210 8.210 8.676 -0.466 19221 5468 1 6 . 1 1 76 76 ASN N N 76 117.960 117.960 117.996 -0.036 19221 5469 1 6 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.155 0.220 19221 5470 1 6 . 1 1 76 76 ASN C C 76 176.582 176.582 177.210 -0.628 19221 5471 1 6 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.101 0.859 19221 5472 1 6 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.883 1.067 19221 5473 1 6 . 1 1 76 76 ASN H H 76 8.363 8.363 8.123 0.240 19221 5474 1 6 . 1 1 77 77 ALA N N 77 121.740 121.740 122.404 -0.664 19221 5475 1 6 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.035 0.132 19221 5476 1 6 . 1 1 77 77 ALA C C 77 179.988 179.988 180.020 -0.032 19221 5477 1 6 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.833 0.727 19221 5478 1 6 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.334 -1.004 19221 5479 1 6 . 1 1 77 77 ALA H H 77 8.385 8.385 8.002 0.383 19221 5480 1 6 . 1 1 78 78 LEU N N 78 116.550 116.550 118.588 -2.038 19221 5481 1 6 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.937 -0.284 19221 5482 1 6 . 1 1 78 78 LEU C C 78 177.576 177.576 179.804 -2.228 19221 5483 1 6 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.882 1.102 19221 5484 1 6 . 1 1 78 78 LEU CB C 78 42.010 42.010 40.526 1.484 19221 5485 1 6 . 1 1 78 78 LEU H H 78 7.965 7.965 8.342 -0.377 19221 5486 1 6 . 1 1 79 79 THR N N 79 113.220 113.220 111.771 1.449 19221 5487 1 6 . 1 1 79 79 THR HA H 79 3.807 3.807 4.173 -0.366 19221 5488 1 6 . 1 1 79 79 THR C C 79 176.163 176.163 175.423 0.740 19221 5489 1 6 . 1 1 79 79 THR CA C 79 66.980 66.980 65.963 1.017 19221 5490 1 6 . 1 1 79 79 THR CB C 79 69.240 69.240 68.971 0.269 19221 5491 1 6 . 1 1 79 79 THR H H 79 7.565 7.565 8.021 -0.456 19221 5492 1 6 . 1 1 80 80 VAL N N 80 110.800 110.800 110.835 -0.035 19221 5493 1 6 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.477 0.032 19221 5494 1 6 . 1 1 80 80 VAL C C 80 176.751 176.751 176.239 0.512 19221 5495 1 6 . 1 1 80 80 VAL CA C 80 60.890 60.890 60.983 -0.094 19221 5496 1 6 . 1 1 80 80 VAL CB C 80 32.005 32.005 32.856 -0.851 19221 5497 1 6 . 1 1 80 80 VAL H H 80 7.792 7.792 7.148 0.644 19221 5498 1 6 . 1 1 81 81 GLY N N 81 112.910 112.910 110.007 2.903 19221 5499 1 6 . 1 1 81 81 GLY C C 81 173.874 173.874 174.366 -0.492 19221 5500 1 6 . 1 1 81 81 GLY CA C 81 47.280 47.280 46.149 1.131 19221 5501 1 6 . 1 1 81 81 GLY H H 81 7.506 7.506 7.663 -0.157 19221 5502 1 6 . 1 1 82 82 ASP N N 82 119.112 119.112 121.125 -2.013 19221 5503 1 6 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.620 0.220 19221 5504 1 6 . 1 1 82 82 ASP C C 82 175.706 175.706 176.360 -0.654 19221 5505 1 6 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.861 0.059 19221 5506 1 6 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.521 0.429 19221 5507 1 6 . 1 1 82 82 ASP H H 82 8.254 8.254 8.014 0.240 19221 5508 1 6 . 1 1 83 83 PHE N N 83 123.870 123.870 123.833 0.037 19221 5509 1 6 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.134 -0.306 19221 5510 1 6 . 1 1 83 83 PHE C C 83 177.950 177.950 177.061 0.889 19221 5511 1 6 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.734 1.836 19221 5512 1 6 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.057 1.063 19221 5513 1 6 . 1 1 83 83 PHE H H 83 8.025 8.025 7.847 0.178 19221 5514 1 6 . 1 1 84 84 ASP N N 84 119.583 119.583 120.640 -1.057 19221 5515 1 6 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.463 0.059 19221 5516 1 6 . 1 1 84 84 ASP C C 84 179.005 179.005 178.622 0.383 19221 5517 1 6 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.385 0.275 19221 5518 1 6 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.749 -0.189 19221 5519 1 6 . 1 1 84 84 ASP H H 84 8.464 8.464 7.466 0.998 19221 5520 1 6 . 1 1 85 85 LYS N N 85 122.200 122.200 119.815 2.385 19221 5521 1 6 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.073 0.019 19221 5522 1 6 . 1 1 85 85 LYS C C 85 178.580 178.580 179.089 -0.509 19221 5523 1 6 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.548 -0.298 19221 5524 1 6 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.187 0.123 19221 5525 1 6 . 1 1 85 85 LYS H H 85 8.009 8.009 8.262 -0.253 19221 5526 1 6 . 1 1 86 86 PHE N N 86 118.590 118.590 121.356 -2.766 19221 5527 1 6 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.075 -0.239 19221 5528 1 6 . 1 1 86 86 PHE C C 86 175.649 175.649 176.689 -1.040 19221 5529 1 6 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.619 0.791 19221 5530 1 6 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.894 1.186 19221 5531 1 6 . 1 1 86 86 PHE H H 86 8.331 8.331 8.815 -0.484 19221 5532 1 6 . 1 1 87 87 ASP N N 87 117.790 117.790 119.003 -1.213 19221 5533 1 6 . 1 1 87 87 ASP HA H 87 4.198 4.198 3.973 0.225 19221 5534 1 6 . 1 1 87 87 ASP C C 87 178.542 178.542 178.520 0.022 19221 5535 1 6 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.534 0.306 19221 5536 1 6 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.614 1.276 19221 5537 1 6 . 1 1 87 87 ASP H H 87 8.560 8.560 8.615 -0.055 19221 5538 1 6 . 1 1 88 88 SER N N 88 112.940 112.940 115.620 -2.680 19221 5539 1 6 . 1 1 88 88 SER HA H 88 4.153 4.153 4.238 -0.085 19221 5540 1 6 . 1 1 88 88 SER C C 88 176.823 176.823 175.826 0.997 19221 5541 1 6 . 1 1 88 88 SER CA C 88 61.590 61.590 61.872 -0.282 19221 5542 1 6 . 1 1 88 88 SER CB C 88 63.085 63.085 63.145 -0.060 19221 5543 1 6 . 1 1 88 88 SER H H 88 7.757 7.757 8.148 -0.391 19221 5544 1 6 . 1 1 89 89 LEU N N 89 121.710 121.710 121.889 -0.179 19221 5545 1 6 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.125 0.043 19221 5546 1 6 . 1 1 89 89 LEU C C 89 180.006 180.006 177.919 2.087 19221 5547 1 6 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.851 -0.021 19221 5548 1 6 . 1 1 89 89 LEU CB C 89 43.380 43.380 41.938 1.442 19221 5549 1 6 . 1 1 89 89 LEU H H 89 8.173 8.173 7.333 0.840 19221 5550 1 6 . 1 1 90 90 ILE N N 90 119.830 119.830 120.626 -0.796 19221 5551 1 6 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.427 0.118 19221 5552 1 6 . 1 1 90 90 ILE C C 90 177.083 177.083 178.477 -1.394 19221 5553 1 6 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.762 -1.852 19221 5554 1 6 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.452 -0.372 19221 5555 1 6 . 1 1 90 90 ILE H H 90 8.424 8.424 8.360 0.064 19221 5556 1 6 . 1 1 91 91 LYS N N 91 117.980 117.980 117.813 0.167 19221 5557 1 6 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.916 -0.015 19221 5558 1 6 . 1 1 91 91 LYS C C 91 178.803 178.803 177.851 0.952 19221 5559 1 6 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.230 0.280 19221 5560 1 6 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.349 0.411 19221 5561 1 6 . 1 1 91 91 LYS H H 91 7.569 7.569 8.178 -0.609 19221 5562 1 6 . 1 1 92 92 VAL N N 92 115.450 115.450 117.182 -1.732 19221 5563 1 6 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.077 -0.149 19221 5564 1 6 . 1 1 92 92 VAL C C 92 177.767 177.767 177.271 0.496 19221 5565 1 6 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.397 0.153 19221 5566 1 6 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.637 0.153 19221 5567 1 6 . 1 1 92 92 VAL H H 92 7.432 7.432 7.736 -0.304 19221 5568 1 6 . 1 1 93 93 GLN N N 93 117.250 117.250 119.689 -2.439 19221 5569 1 6 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.938 0.059 19221 5570 1 6 . 1 1 93 93 GLN C C 93 178.756 178.756 178.871 -0.115 19221 5571 1 6 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.938 -0.378 19221 5572 1 6 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.358 0.312 19221 5573 1 6 . 1 1 93 93 GLN H H 93 8.127 8.127 8.575 -0.448 19221 5574 1 6 . 1 1 94 94 ILE N N 94 118.013 118.013 119.881 -1.868 19221 5575 1 6 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.745 -0.105 19221 5576 1 6 . 1 1 94 94 ILE C C 94 176.252 176.252 178.712 -2.460 19221 5577 1 6 . 1 1 94 94 ILE CA C 94 64.980 64.980 64.059 0.921 19221 5578 1 6 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.873 0.257 19221 5579 1 6 . 1 1 94 94 ILE H H 94 8.390 8.390 7.758 0.632 19221 5580 1 6 . 1 1 95 95 SER N N 95 112.220 112.220 116.133 -3.913 19221 5581 1 6 . 1 1 95 95 SER HA H 95 4.158 4.158 4.149 0.009 19221 5582 1 6 . 1 1 95 95 SER C C 95 174.893 174.893 175.801 -0.908 19221 5583 1 6 . 1 1 95 95 SER CA C 95 59.890 59.890 60.982 -1.092 19221 5584 1 6 . 1 1 95 95 SER CB C 95 63.170 63.170 62.896 0.274 19221 5585 1 6 . 1 1 95 95 SER H H 95 7.227 7.227 8.318 -1.091 19221 5586 1 6 . 1 1 96 96 LYS N N 96 119.000 119.000 118.728 0.272 19221 5587 1 6 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.107 0.218 19221 5588 1 6 . 1 1 96 96 LYS C C 96 175.903 175.903 176.183 -0.280 19221 5589 1 6 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.510 -0.910 19221 5590 1 6 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.027 0.913 19221 5591 1 6 . 1 1 96 96 LYS H H 96 7.250 7.250 7.631 -0.381 19221 5592 1 6 . 1 1 97 97 ILE N N 97 120.530 120.530 120.070 0.460 19221 5593 1 6 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.571 0.028 19221 5594 1 6 . 1 1 97 97 ILE C C 97 173.784 173.784 174.148 -0.364 19221 5595 1 6 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.816 -0.404 19221 5596 1 6 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.056 -2.496 19221 5597 1 6 . 1 1 97 97 ILE H H 97 7.713 7.713 7.428 0.285 19221 5598 1 6 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.308 -0.015 19221 5599 1 6 . 1 1 98 98 PRO C C 98 178.885 178.885 178.302 0.583 19221 5600 1 6 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.779 0.541 19221 5601 1 6 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.118 0.152 19221 5602 1 6 . 1 1 99 99 ILE N N 99 115.600 115.600 119.006 -3.406 19221 5603 1 6 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.929 0.363 19221 5604 1 6 . 1 1 99 99 ILE C C 99 177.025 177.025 177.606 -0.581 19221 5605 1 6 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.812 -1.032 19221 5606 1 6 . 1 1 99 99 ILE CB C 99 38.080 38.080 38.029 0.051 19221 5607 1 6 . 1 1 99 99 ILE H H 99 8.552 8.552 7.935 0.617 19221 5608 1 6 . 1 1 100 100 LEU N N 100 119.430 119.430 120.891 -1.461 19221 5609 1 6 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.105 0.118 19221 5610 1 6 . 1 1 100 100 LEU C C 100 178.223 178.223 179.480 -1.257 19221 5611 1 6 . 1 1 100 100 LEU CA C 100 57.110 57.110 58.106 -0.996 19221 5612 1 6 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.285 0.935 19221 5613 1 6 . 1 1 100 100 LEU H H 100 7.404 7.404 7.670 -0.266 19221 5614 1 6 . 1 1 101 101 ALA N N 101 121.390 121.390 121.132 0.258 19221 5615 1 6 . 1 1 101 101 ALA HA H 101 3.917 3.917 4.004 -0.087 19221 5616 1 6 . 1 1 101 101 ALA C C 101 181.827 181.827 180.106 1.721 19221 5617 1 6 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.872 0.538 19221 5618 1 6 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.193 -0.243 19221 5619 1 6 . 1 1 101 101 ALA H H 101 7.839 7.839 8.223 -0.384 19221 5620 1 6 . 1 1 102 102 GLN N N 102 115.470 115.470 115.842 -0.372 19221 5621 1 6 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.075 0.002 19221 5622 1 6 . 1 1 102 102 GLN C C 102 176.572 176.572 176.820 -0.248 19221 5623 1 6 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.792 -0.212 19221 5624 1 6 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.147 -0.517 19221 5625 1 6 . 1 1 102 102 GLN H H 102 8.276 8.276 7.719 0.557 19221 5626 1 6 . 1 1 103 103 HIS N N 103 115.980 115.980 115.596 0.384 19221 5627 1 6 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.976 0.148 19221 5628 1 6 . 1 1 103 103 HIS C C 103 175.326 175.326 174.759 0.567 19221 5629 1 6 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.838 1.512 19221 5630 1 6 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.871 1.119 19221 5631 1 6 . 1 1 103 103 HIS H H 103 7.450 7.450 7.794 -0.344 19221 5632 1 6 . 1 1 104 104 GLU N N 104 122.920 122.920 122.039 0.881 19221 5633 1 6 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.983 -0.170 19221 5634 1 6 . 1 1 104 104 GLU C C 104 177.960 177.960 177.995 -0.035 19221 5635 1 6 . 1 1 104 104 GLU CA C 104 61.510 61.510 61.168 0.342 19221 5636 1 6 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.667 -0.167 19221 5637 1 6 . 1 1 104 104 GLU H H 104 7.332 7.332 7.792 -0.460 19221 5638 1 6 . 1 1 105 105 SER N N 105 113.180 113.180 114.730 -1.550 19221 5639 1 6 . 1 1 105 105 SER HA H 105 4.234 4.234 4.305 -0.071 19221 5640 1 6 . 1 1 105 105 SER C C 105 177.512 177.512 176.427 1.085 19221 5641 1 6 . 1 1 105 105 SER CA C 105 62.100 62.100 60.918 1.182 19221 5642 1 6 . 1 1 105 105 SER CB C 105 62.100 62.100 62.624 -0.524 19221 5643 1 6 . 1 1 105 105 SER H H 105 8.931 8.931 8.555 0.376 19221 5644 1 6 . 1 1 106 106 PHE N N 106 123.770 123.770 123.199 0.571 19221 5645 1 6 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.419 0.008 19221 5646 1 6 . 1 1 106 106 PHE C C 106 178.007 178.007 176.898 1.109 19221 5647 1 6 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.079 0.311 19221 5648 1 6 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.313 -0.183 19221 5649 1 6 . 1 1 106 106 PHE H H 106 8.040 8.040 8.056 -0.016 19221 5650 1 6 . 1 1 107 107 LEU N N 107 121.397 121.397 120.595 0.802 19221 5651 1 6 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.940 0.066 19221 5652 1 6 . 1 1 107 107 LEU C C 107 178.165 178.165 178.924 -0.759 19221 5653 1 6 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.257 0.023 19221 5654 1 6 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.550 0.619 19221 5655 1 6 . 1 1 107 107 LEU H H 107 8.481 8.481 9.000 -0.519 19221 5656 1 6 . 1 1 108 108 ARG N N 108 117.450 117.450 119.619 -2.169 19221 5657 1 6 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.897 0.242 19221 5658 1 6 . 1 1 108 108 ARG C C 108 178.343 178.343 178.348 -0.005 19221 5659 1 6 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.168 -0.588 19221 5660 1 6 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.162 -0.992 19221 5661 1 6 . 1 1 108 108 ARG H H 108 8.480 8.480 8.396 0.084 19221 5662 1 6 . 1 1 109 109 GLN N N 109 119.098 119.098 118.291 0.807 19221 5663 1 6 . 1 1 109 109 GLN HA H 109 4.075 4.075 3.973 0.102 19221 5664 1 6 . 1 1 109 109 GLN CA C 109 59.295 59.295 58.899 0.396 19221 5665 1 6 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.406 1.102 19221 5666 1 6 . 1 1 109 109 GLN H H 109 7.886 7.886 8.137 -0.251 19221 5667 1 6 . 1 1 110 110 LYS N N 110 121.110 121.110 120.463 0.647 19221 5668 1 6 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.961 0.027 19221 5669 1 6 . 1 1 110 110 LYS C C 110 178.368 178.368 178.932 -0.564 19221 5670 1 6 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.412 3.138 19221 5671 1 6 . 1 1 110 110 LYS CB C 110 30.260 30.260 32.033 -1.773 19221 5672 1 6 . 1 1 110 110 LYS H H 110 8.356 8.356 7.882 0.474 19221 5673 1 6 . 1 1 111 111 ILE N N 111 116.870 116.870 120.371 -3.501 19221 5674 1 6 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.725 0.173 19221 5675 1 6 . 1 1 111 111 ILE C C 111 178.036 178.036 177.045 0.991 19221 5676 1 6 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.578 0.523 19221 5677 1 6 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.580 -0.665 19221 5678 1 6 . 1 1 111 111 ILE H H 111 7.848 7.848 8.262 -0.414 19221 5679 1 6 . 1 1 112 112 CYS N N 112 123.990 123.990 118.344 5.646 19221 5680 1 6 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.051 0.030 19221 5681 1 6 . 1 1 112 112 CYS C C 112 176.276 176.276 176.577 -0.301 19221 5682 1 6 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.806 1.594 19221 5683 1 6 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.534 -0.164 19221 5684 1 6 . 1 1 112 112 CYS H H 112 7.473 7.473 7.100 0.373 19221 5685 1 6 . 1 1 113 113 LEU N N 113 120.218 120.218 121.867 -1.649 19221 5686 1 6 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.634 0.209 19221 5687 1 6 . 1 1 113 113 LEU C C 113 178.584 178.584 178.774 -0.190 19221 5688 1 6 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.550 -0.030 19221 5689 1 6 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.397 1.153 19221 5690 1 6 . 1 1 113 113 LEU H H 113 8.443 8.443 8.439 0.004 19221 5691 1 6 . 1 1 114 114 MET N N 114 116.910 116.910 117.844 -0.934 19221 5692 1 6 . 1 1 114 114 MET HA H 114 3.952 3.952 3.825 0.127 19221 5693 1 6 . 1 1 114 114 MET C C 114 178.724 178.724 178.010 0.714 19221 5694 1 6 . 1 1 114 114 MET CA C 114 60.070 60.070 59.486 0.584 19221 5695 1 6 . 1 1 114 114 MET CB C 114 32.910 32.910 32.653 0.257 19221 5696 1 6 . 1 1 114 114 MET H H 114 8.840 8.840 8.067 0.773 19221 5697 1 6 . 1 1 115 115 THR N N 115 115.670 115.670 116.987 -1.317 19221 5698 1 6 . 1 1 115 115 THR HA H 115 4.083 4.083 4.046 0.037 19221 5699 1 6 . 1 1 115 115 THR C C 115 177.434 177.434 176.865 0.569 19221 5700 1 6 . 1 1 115 115 THR CA C 115 66.740 66.740 66.765 -0.025 19221 5701 1 6 . 1 1 115 115 THR CB C 115 68.630 68.630 68.546 0.084 19221 5702 1 6 . 1 1 115 115 THR H H 115 8.095 8.095 8.368 -0.273 19221 5703 1 6 . 1 1 116 116 LEU N N 116 125.420 125.420 123.835 1.585 19221 5704 1 6 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.026 -0.171 19221 5705 1 6 . 1 1 116 116 LEU C C 116 176.903 176.903 178.102 -1.199 19221 5706 1 6 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.034 0.902 19221 5707 1 6 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.198 0.478 19221 5708 1 6 . 1 1 116 116 LEU H H 116 8.164 8.164 8.002 0.162 19221 5709 1 6 . 1 1 117 117 ILE N N 117 114.740 114.740 119.542 -4.802 19221 5710 1 6 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.462 0.157 19221 5711 1 6 . 1 1 117 117 ILE C C 117 177.806 177.806 177.863 -0.057 19221 5712 1 6 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.928 -1.338 19221 5713 1 6 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.436 -1.076 19221 5714 1 6 . 1 1 117 117 ILE H H 117 8.032 8.032 7.630 0.402 19221 5715 1 6 . 1 1 118 118 GLU N N 118 121.200 121.200 120.099 1.101 19221 5716 1 6 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.044 0.156 19221 5717 1 6 . 1 1 118 118 GLU C C 118 178.314 178.314 178.911 -0.597 19221 5718 1 6 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.358 -0.378 19221 5719 1 6 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.681 -0.301 19221 5720 1 6 . 1 1 118 118 GLU H H 118 8.176 8.176 8.696 -0.520 19221 5721 1 6 . 1 1 119 119 THR N N 119 114.460 114.460 117.253 -2.793 19221 5722 1 6 . 1 1 119 119 THR HA H 119 3.917 3.917 4.026 -0.109 19221 5723 1 6 . 1 1 119 119 THR C C 119 175.551 175.551 176.903 -1.352 19221 5724 1 6 . 1 1 119 119 THR CA C 119 67.470 67.470 67.239 0.231 19221 5725 1 6 . 1 1 119 119 THR CB C 119 69.110 69.110 68.444 0.666 19221 5726 1 6 . 1 1 119 119 THR H H 119 8.008 8.008 8.257 -0.249 19221 5727 1 6 . 1 1 120 120 VAL N N 120 118.050 118.050 121.260 -3.210 19221 5728 1 6 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.724 -0.104 19221 5729 1 6 . 1 1 120 120 VAL C C 120 178.213 178.213 177.760 0.453 19221 5730 1 6 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.508 -0.488 19221 5731 1 6 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.165 0.665 19221 5732 1 6 . 1 1 120 120 VAL H H 120 7.800 7.800 8.219 -0.419 19221 5733 1 6 . 1 1 121 121 PHE N N 121 118.360 118.360 122.153 -3.793 19221 5734 1 6 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.158 0.062 19221 5735 1 6 . 1 1 121 121 PHE C C 121 178.739 178.739 178.158 0.581 19221 5736 1 6 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.882 -0.342 19221 5737 1 6 . 1 1 121 121 PHE CB C 121 40.130 40.130 38.983 1.147 19221 5738 1 6 . 1 1 121 121 PHE H H 121 8.370 8.370 8.382 -0.012 19221 5739 1 6 . 1 1 122 122 VAL N N 122 118.710 118.710 120.685 -1.975 19221 5740 1 6 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.520 0.105 19221 5741 1 6 . 1 1 122 122 VAL C C 122 178.247 178.247 177.317 0.930 19221 5742 1 6 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.646 0.204 19221 5743 1 6 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.872 0.009 19221 5744 1 6 . 1 1 122 122 VAL H H 122 8.959 8.959 8.558 0.401 19221 5745 1 6 . 1 1 123 123 LYS N N 123 115.960 115.960 116.551 -0.591 19221 5746 1 6 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.245 0.071 19221 5747 1 6 . 1 1 123 123 LYS C C 123 176.148 176.148 175.726 0.422 19221 5748 1 6 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.999 0.531 19221 5749 1 6 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.317 -0.287 19221 5750 1 6 . 1 1 123 123 LYS H H 123 7.688 7.688 7.907 -0.219 19221 5751 1 6 . 1 1 124 124 ASN N N 124 117.440 117.440 117.232 0.208 19221 5752 1 6 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.258 0.086 19221 5753 1 6 . 1 1 124 124 ASN C C 124 174.205 174.205 174.880 -0.675 19221 5754 1 6 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.796 0.124 19221 5755 1 6 . 1 1 124 124 ASN CB C 124 37.070 37.070 36.837 0.233 19221 5756 1 6 . 1 1 124 124 ASN H H 124 7.560 7.560 7.599 -0.039 19221 5757 1 6 . 1 1 125 125 ILE N N 125 116.780 116.780 117.888 -1.108 19221 5758 1 6 . 1 1 125 125 ILE HA H 125 4.110 4.110 3.959 0.151 19221 5759 1 6 . 1 1 125 125 ILE C C 125 175.909 175.909 175.411 0.498 19221 5760 1 6 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.354 -0.784 19221 5761 1 6 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.299 1.671 19221 5762 1 6 . 1 1 125 125 ILE H H 125 7.658 7.658 8.057 -0.399 19221 5763 1 6 . 1 1 126 126 ARG N N 126 122.400 122.400 122.954 -0.554 19221 5764 1 6 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.527 0.104 19221 5765 1 6 . 1 1 126 126 ARG C C 126 175.296 175.296 175.240 0.056 19221 5766 1 6 . 1 1 126 126 ARG CA C 126 55.210 55.210 56.421 -1.211 19221 5767 1 6 . 1 1 126 126 ARG CB C 126 31.217 31.217 32.491 -1.274 19221 5768 1 6 . 1 1 126 126 ARG H H 126 8.658 8.658 8.488 0.170 19221 5769 1 6 . 1 1 127 127 MET N N 127 119.870 119.870 118.721 1.149 19221 5770 1 6 . 1 1 127 127 MET HA H 127 5.412 5.412 5.140 0.272 19221 5771 1 6 . 1 1 127 127 MET C C 127 174.169 174.169 173.723 0.446 19221 5772 1 6 . 1 1 127 127 MET CA C 127 55.130 55.130 54.519 0.611 19221 5773 1 6 . 1 1 127 127 MET CB C 127 35.300 35.300 35.435 -0.135 19221 5774 1 6 . 1 1 127 127 MET H H 127 7.487 7.487 7.592 -0.105 19221 5775 1 6 . 1 1 128 128 LEU N N 128 124.940 124.940 124.893 0.047 19221 5776 1 6 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.928 -0.038 19221 5777 1 6 . 1 1 128 128 LEU C C 128 174.857 174.857 174.293 0.564 19221 5778 1 6 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.710 0.460 19221 5779 1 6 . 1 1 128 128 LEU CB C 128 46.090 46.090 46.919 -0.829 19221 5780 1 6 . 1 1 128 128 LEU H H 128 8.961 8.961 8.818 0.143 19221 5781 1 6 . 1 1 129 129 SER N N 129 119.080 119.080 117.687 1.393 19221 5782 1 6 . 1 1 129 129 SER HA H 129 5.503 5.503 4.906 0.597 19221 5783 1 6 . 1 1 129 129 SER C C 129 176.225 176.225 176.051 0.174 19221 5784 1 6 . 1 1 129 129 SER CA C 129 56.630 56.630 56.671 -0.041 19221 5785 1 6 . 1 1 129 129 SER CB C 129 66.030 66.030 64.506 1.524 19221 5786 1 6 . 1 1 129 129 SER H H 129 9.512 9.512 8.261 1.251 19221 5787 1 6 . 1 1 130 130 PHE N N 130 120.530 120.530 124.779 -4.249 19221 5788 1 6 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.192 0.248 19221 5789 1 6 . 1 1 130 130 PHE C C 130 179.046 179.046 177.651 1.395 19221 5790 1 6 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.012 -0.282 19221 5791 1 6 . 1 1 130 130 PHE CB C 130 36.520 36.520 37.998 -1.478 19221 5792 1 6 . 1 1 130 130 PHE H H 130 8.712 8.712 9.239 -0.527 19221 5793 1 6 . 1 1 131 131 GLU N N 131 121.180 121.180 120.370 0.810 19221 5794 1 6 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.808 0.217 19221 5795 1 6 . 1 1 131 131 GLU C C 131 178.039 178.039 178.255 -0.216 19221 5796 1 6 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.410 -0.540 19221 5797 1 6 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.492 -0.022 19221 5798 1 6 . 1 1 131 131 GLU H H 131 8.961 8.961 7.845 1.116 19221 5799 1 6 . 1 1 132 132 ASP N N 132 120.930 120.930 119.294 1.636 19221 5800 1 6 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.428 -0.031 19221 5801 1 6 . 1 1 132 132 ASP C C 132 180.369 180.369 178.651 1.718 19221 5802 1 6 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.169 0.521 19221 5803 1 6 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.603 0.137 19221 5804 1 6 . 1 1 132 132 ASP H H 132 8.369 8.369 7.721 0.648 19221 5805 1 6 . 1 1 133 133 ILE N N 133 120.360 120.360 119.935 0.425 19221 5806 1 6 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.610 -0.101 19221 5807 1 6 . 1 1 133 133 ILE C C 133 178.895 178.895 178.162 0.733 19221 5808 1 6 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.254 1.026 19221 5809 1 6 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.836 -0.306 19221 5810 1 6 . 1 1 133 133 ILE H H 133 8.062 8.062 7.913 0.149 19221 5811 1 6 . 1 1 134 134 SER N N 134 120.050 120.050 116.804 3.246 19221 5812 1 6 . 1 1 134 134 SER HA H 134 4.074 4.074 4.228 -0.154 19221 5813 1 6 . 1 1 134 134 SER C C 134 176.934 176.934 176.204 0.730 19221 5814 1 6 . 1 1 134 134 SER CA C 134 61.240 61.240 61.528 -0.288 19221 5815 1 6 . 1 1 134 134 SER CB C 134 63.400 63.400 62.927 0.473 19221 5816 1 6 . 1 1 134 134 SER H H 134 8.823 8.823 8.387 0.436 19221 5817 1 6 . 1 1 135 135 LYS N N 135 119.060 119.060 120.982 -1.922 19221 5818 1 6 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.935 -0.005 19221 5819 1 6 . 1 1 135 135 LYS C C 135 178.986 178.986 178.710 0.276 19221 5820 1 6 . 1 1 135 135 LYS CA C 135 59.270 59.270 59.035 0.235 19221 5821 1 6 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.386 0.084 19221 5822 1 6 . 1 1 135 135 LYS H H 135 8.258 8.258 7.920 0.338 19221 5823 1 6 . 1 1 136 136 ALA N N 136 118.350 118.350 119.291 -0.941 19221 5824 1 6 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.148 0.054 19221 5825 1 6 . 1 1 136 136 ALA C C 136 178.653 178.653 177.916 0.737 19221 5826 1 6 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.143 0.337 19221 5827 1 6 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.024 -0.183 19221 5828 1 6 . 1 1 136 136 ALA H H 136 7.538 7.538 8.059 -0.521 19221 5829 1 6 . 1 1 137 137 THR N N 137 101.770 101.770 107.429 -5.659 19221 5830 1 6 . 1 1 137 137 THR HA H 137 4.274 4.274 4.274 -0.000 19221 5831 1 6 . 1 1 137 137 THR C C 137 172.932 172.932 175.062 -2.130 19221 5832 1 6 . 1 1 137 137 THR CA C 137 61.990 61.990 61.904 0.086 19221 5833 1 6 . 1 1 137 137 THR CB C 137 71.200 71.200 71.355 -0.155 19221 5834 1 6 . 1 1 137 137 THR H H 137 7.777 7.777 7.429 0.348 19221 5835 1 6 . 1 1 138 138 HIS N N 138 113.660 113.660 119.809 -6.149 19221 5836 1 6 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.116 -0.157 19221 5837 1 6 . 1 1 138 138 HIS C C 138 173.700 173.700 172.924 0.776 19221 5838 1 6 . 1 1 138 138 HIS CA C 138 56.330 56.330 58.148 -1.818 19221 5839 1 6 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.711 -2.301 19221 5840 1 6 . 1 1 138 138 HIS H H 138 7.567 7.567 8.463 -0.896 19221 5841 1 6 . 1 1 139 139 LEU N N 139 120.070 120.070 120.584 -0.514 19221 5842 1 6 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.779 0.064 19221 5843 1 6 . 1 1 139 139 LEU C C 139 174.376 174.376 175.284 -0.908 19221 5844 1 6 . 1 1 139 139 LEU CA C 139 51.870 51.870 51.787 0.083 19221 5845 1 6 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.620 2.130 19221 5846 1 6 . 1 1 139 139 LEU H H 139 7.513 7.513 7.390 0.123 19221 5847 1 6 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.557 -0.166 19221 5848 1 6 . 1 1 140 140 PRO C C 140 177.985 177.985 178.250 -0.265 19221 5849 1 6 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.428 -0.038 19221 5850 1 6 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.422 -0.352 19221 5851 1 6 . 1 1 141 141 LYS N N 141 123.930 123.930 121.474 2.456 19221 5852 1 6 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.786 0.033 19221 5853 1 6 . 1 1 141 141 LYS C C 141 178.083 178.083 177.987 0.096 19221 5854 1 6 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.350 0.480 19221 5855 1 6 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.079 -0.189 19221 5856 1 6 . 1 1 141 141 LYS H H 141 8.950 8.950 8.651 0.299 19221 5857 1 6 . 1 1 142 142 ASP N N 142 114.510 114.510 115.197 -0.687 19221 5858 1 6 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.458 0.037 19221 5859 1 6 . 1 1 142 142 ASP C C 142 176.656 176.656 177.144 -0.488 19221 5860 1 6 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.295 -0.705 19221 5861 1 6 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.812 -1.072 19221 5862 1 6 . 1 1 142 142 ASP H H 142 8.491 8.491 8.525 -0.034 19221 5863 1 6 . 1 1 143 143 ASN N N 143 116.400 116.400 114.811 1.589 19221 5864 1 6 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.921 0.145 19221 5865 1 6 . 1 1 143 143 ASN C C 143 175.954 175.954 176.516 -0.562 19221 5866 1 6 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.011 0.209 19221 5867 1 6 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.252 0.698 19221 5868 1 6 . 1 1 143 143 ASN H H 143 8.191 8.191 7.877 0.314 19221 5869 1 6 . 1 1 144 144 VAL N N 144 120.490 120.490 121.611 -1.121 19221 5870 1 6 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.358 -0.035 19221 5871 1 6 . 1 1 144 144 VAL C C 144 176.423 176.423 176.593 -0.170 19221 5872 1 6 . 1 1 144 144 VAL CA C 144 66.990 66.990 67.329 -0.339 19221 5873 1 6 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.654 -0.214 19221 5874 1 6 . 1 1 144 144 VAL H H 144 7.472 7.472 7.895 -0.423 19221 5875 1 6 . 1 1 145 145 GLU N N 145 122.340 122.340 117.984 4.356 19221 5876 1 6 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.619 -0.358 19221 5877 1 6 . 1 1 145 145 GLU C C 145 177.853 177.853 178.342 -0.489 19221 5878 1 6 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.362 1.468 19221 5879 1 6 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.530 0.280 19221 5880 1 6 . 1 1 145 145 GLU H H 145 9.141 9.141 7.989 1.152 19221 5881 1 6 . 1 1 146 146 HIS N N 146 116.970 116.970 119.145 -2.175 19221 5882 1 6 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.301 -0.127 19221 5883 1 6 . 1 1 146 146 HIS C C 146 177.947 177.947 177.316 0.631 19221 5884 1 6 . 1 1 146 146 HIS CA C 146 59.540 59.540 59.532 0.008 19221 5885 1 6 . 1 1 146 146 HIS CB C 146 30.450 30.450 30.044 0.406 19221 5886 1 6 . 1 1 146 146 HIS H H 146 8.162 8.162 7.326 0.836 19221 5887 1 6 . 1 1 147 147 LEU N N 147 120.670 120.670 121.099 -0.429 19221 5888 1 6 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.027 -0.067 19221 5889 1 6 . 1 1 147 147 LEU C C 147 178.427 178.427 178.796 -0.369 19221 5890 1 6 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.203 0.067 19221 5891 1 6 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.502 0.235 19221 5892 1 6 . 1 1 147 147 LEU H H 147 7.336 7.336 7.886 -0.550 19221 5893 1 6 . 1 1 148 148 VAL N N 148 118.060 118.060 114.716 3.344 19221 5894 1 6 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.539 -0.316 19221 5895 1 6 . 1 1 148 148 VAL C C 148 177.801 177.801 178.017 -0.216 19221 5896 1 6 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.979 0.982 19221 5897 1 6 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.444 -0.434 19221 5898 1 6 . 1 1 148 148 VAL H H 148 8.172 8.172 7.826 0.346 19221 5899 1 6 . 1 1 149 149 MET N N 149 117.770 117.770 119.893 -2.123 19221 5900 1 6 . 1 1 149 149 MET HA H 149 4.123 4.123 4.039 0.084 19221 5901 1 6 . 1 1 149 149 MET C C 149 179.823 179.823 178.619 1.204 19221 5902 1 6 . 1 1 149 149 MET CA C 149 58.630 58.630 59.339 -0.709 19221 5903 1 6 . 1 1 149 149 MET CB C 149 31.496 31.496 32.030 -0.534 19221 5904 1 6 . 1 1 149 149 MET H H 149 8.585 8.585 8.512 0.073 19221 5905 1 6 . 1 1 150 150 ARG N N 150 121.900 121.900 119.682 2.218 19221 5906 1 6 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.057 0.037 19221 5907 1 6 . 1 1 150 150 ARG C C 150 177.928 177.928 178.300 -0.372 19221 5908 1 6 . 1 1 150 150 ARG CA C 150 58.150 58.150 58.688 -0.537 19221 5909 1 6 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.530 -0.780 19221 5910 1 6 . 1 1 150 150 ARG H H 150 8.160 8.160 8.209 -0.049 19221 5911 1 6 . 1 1 151 151 ALA N N 151 121.710 121.710 122.393 -0.683 19221 5912 1 6 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.991 -0.193 19221 5913 1 6 . 1 1 151 151 ALA C C 151 179.518 179.518 179.881 -0.363 19221 5914 1 6 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.054 0.686 19221 5915 1 6 . 1 1 151 151 ALA CB C 151 17.890 17.890 17.981 -0.091 19221 5916 1 6 . 1 1 151 151 ALA H H 151 8.165 8.165 7.561 0.604 19221 5917 1 6 . 1 1 152 152 ILE N N 152 118.590 118.590 118.444 0.146 19221 5918 1 6 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.906 0.476 19221 5919 1 6 . 1 1 152 152 ILE C C 152 181.439 181.439 179.195 2.244 19221 5920 1 6 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.772 -0.212 19221 5921 1 6 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.916 0.784 19221 5922 1 6 . 1 1 152 152 ILE H H 152 8.331 8.331 8.371 -0.040 19221 5923 1 6 . 1 1 153 153 SER N N 153 120.250 120.250 116.612 3.638 19221 5924 1 6 . 1 1 153 153 SER HA H 153 4.279 4.279 4.234 0.045 19221 5925 1 6 . 1 1 153 153 SER C C 153 176.745 176.745 176.067 0.678 19221 5926 1 6 . 1 1 153 153 SER CA C 153 62.040 62.040 61.640 0.400 19221 5927 1 6 . 1 1 153 153 SER CB C 153 62.930 62.930 63.124 -0.194 19221 5928 1 6 . 1 1 153 153 SER H H 153 8.756 8.756 8.075 0.681 19221 5929 1 6 . 1 1 154 154 LEU N N 154 119.480 119.480 118.457 1.023 19221 5930 1 6 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.201 0.144 19221 5931 1 6 . 1 1 154 154 LEU C C 154 177.351 177.351 177.392 -0.041 19221 5932 1 6 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.530 -0.075 19221 5933 1 6 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.964 2.036 19221 5934 1 6 . 1 1 154 154 LEU H H 154 8.129 8.129 7.909 0.220 19221 5935 1 6 . 1 1 155 155 GLY N N 155 106.990 106.990 106.872 0.118 19221 5936 1 6 . 1 1 155 155 GLY C C 155 174.867 174.867 175.522 -0.655 19221 5937 1 6 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.309 -0.509 19221 5938 1 6 . 1 1 155 155 GLY H H 155 8.023 8.023 7.807 0.216 19221 5939 1 6 . 1 1 156 156 LEU N N 156 116.510 116.510 118.086 -1.576 19221 5940 1 6 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.314 -0.054 19221 5941 1 6 . 1 1 156 156 LEU C C 156 175.387 175.387 176.021 -0.634 19221 5942 1 6 . 1 1 156 156 LEU CA C 156 55.930 55.930 55.963 -0.033 19221 5943 1 6 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.267 0.953 19221 5944 1 6 . 1 1 156 156 LEU H H 156 8.101 8.101 7.494 0.607 19221 5945 1 6 . 1 1 157 157 LEU N N 157 112.790 112.790 111.377 1.413 19221 5946 1 6 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.105 -0.105 19221 5947 1 6 . 1 1 157 157 LEU C C 157 175.382 175.382 174.930 0.452 19221 5948 1 6 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.567 0.073 19221 5949 1 6 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.506 1.054 19221 5950 1 6 . 1 1 157 157 LEU H H 157 7.194 7.194 7.314 -0.120 19221 5951 1 6 . 1 1 158 158 LYS N N 158 121.010 121.010 119.947 1.063 19221 5952 1 6 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.787 0.008 19221 5953 1 6 . 1 1 158 158 LYS C C 158 175.461 175.461 175.505 -0.044 19221 5954 1 6 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.769 0.291 19221 5955 1 6 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.659 1.531 19221 5956 1 6 . 1 1 158 158 LYS H H 158 9.056 9.056 8.631 0.425 19221 5957 1 6 . 1 1 159 159 GLY N N 159 109.800 109.800 111.445 -1.645 19221 5958 1 6 . 1 1 159 159 GLY C C 159 170.992 170.992 172.971 -1.979 19221 5959 1 6 . 1 1 159 159 GLY CA C 159 46.140 46.140 44.999 1.141 19221 5960 1 6 . 1 1 159 159 GLY H H 159 8.287 8.287 8.105 0.182 19221 5961 1 6 . 1 1 160 160 SER N N 160 112.940 112.940 114.307 -1.367 19221 5962 1 6 . 1 1 160 160 SER HA H 160 4.780 4.780 4.759 0.021 19221 5963 1 6 . 1 1 160 160 SER C C 160 172.525 172.525 173.341 -0.816 19221 5964 1 6 . 1 1 160 160 SER CA C 160 56.840 56.840 57.652 -0.812 19221 5965 1 6 . 1 1 160 160 SER CB C 160 65.660 65.660 66.580 -0.920 19221 5966 1 6 . 1 1 160 160 SER H H 160 8.847 8.847 8.917 -0.070 19221 5967 1 6 . 1 1 161 161 ILE N N 161 123.020 123.020 123.779 -0.759 19221 5968 1 6 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.105 0.301 19221 5969 1 6 . 1 1 161 161 ILE C C 161 174.457 174.457 176.479 -2.022 19221 5970 1 6 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.458 -0.039 19221 5971 1 6 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.712 1.516 19221 5972 1 6 . 1 1 161 161 ILE H H 161 8.867 8.867 8.699 0.168 19221 5973 1 6 . 1 1 162 162 ASP N N 162 128.130 128.130 127.987 0.143 19221 5974 1 6 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.869 0.047 19221 5975 1 6 . 1 1 162 162 ASP C C 162 176.575 176.575 176.511 0.064 19221 5976 1 6 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.229 -0.489 19221 5977 1 6 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.426 0.714 19221 5978 1 6 . 1 1 162 162 ASP H H 162 8.955 8.955 8.655 0.300 19221 5979 1 6 . 1 1 163 163 GLN N N 163 123.480 123.480 122.140 1.340 19221 5980 1 6 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.099 -0.246 19221 5981 1 6 . 1 1 163 163 GLN C C 163 177.627 177.627 177.791 -0.164 19221 5982 1 6 . 1 1 163 163 GLN CA C 163 59.210 59.210 59.383 -0.173 19221 5983 1 6 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.644 0.276 19221 5984 1 6 . 1 1 163 163 GLN H H 163 8.982 8.982 8.697 0.285 19221 5985 1 6 . 1 1 164 164 VAL N N 164 119.220 119.220 116.008 3.212 19221 5986 1 6 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.849 -0.166 19221 5987 1 6 . 1 1 164 164 VAL C C 164 177.519 177.519 176.837 0.682 19221 5988 1 6 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.848 0.922 19221 5989 1 6 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.355 0.575 19221 5990 1 6 . 1 1 164 164 VAL H H 164 7.974 7.974 8.263 -0.289 19221 5991 1 6 . 1 1 165 165 ASN N N 165 114.430 114.430 118.039 -3.609 19221 5992 1 6 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.683 -0.082 19221 5993 1 6 . 1 1 165 165 ASN C C 165 172.795 172.795 174.345 -1.550 19221 5994 1 6 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.216 -0.316 19221 5995 1 6 . 1 1 165 165 ASN CB C 165 38.830 38.830 38.964 -0.134 19221 5996 1 6 . 1 1 165 165 ASN H H 165 7.502 7.502 7.725 -0.223 19221 5997 1 6 . 1 1 166 166 GLU N N 166 116.970 116.970 113.523 3.447 19221 5998 1 6 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.802 -0.788 19221 5999 1 6 . 1 1 166 166 GLU C C 166 174.562 174.562 173.440 1.122 19221 6000 1 6 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.803 -0.575 19221 6001 1 6 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.893 -0.077 19221 6002 1 6 . 1 1 166 166 GLU H H 166 7.268 7.268 7.781 -0.513 19221 6003 1 6 . 1 1 167 167 LEU N N 167 117.360 117.360 116.762 0.598 19221 6004 1 6 . 1 1 167 167 LEU HA H 167 4.998 4.998 4.970 0.028 19221 6005 1 6 . 1 1 167 167 LEU C C 167 175.659 175.659 175.265 0.394 19221 6006 1 6 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.589 0.081 19221 6007 1 6 . 1 1 167 167 LEU CB C 167 47.310 47.310 47.231 0.079 19221 6008 1 6 . 1 1 167 167 LEU H H 167 7.699 7.699 7.417 0.282 19221 6009 1 6 . 1 1 168 168 VAL N N 168 125.350 125.350 117.285 8.065 19221 6010 1 6 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.778 0.061 19221 6011 1 6 . 1 1 168 168 VAL C C 168 174.792 174.792 174.588 0.204 19221 6012 1 6 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.896 0.234 19221 6013 1 6 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.329 -1.980 19221 6014 1 6 . 1 1 168 168 VAL H H 168 9.445 9.445 9.034 0.411 19221 6015 1 6 . 1 1 169 169 THR N N 169 123.020 123.020 121.190 1.830 19221 6016 1 6 . 1 1 169 169 THR HA H 169 4.869 4.869 5.101 -0.232 19221 6017 1 6 . 1 1 169 169 THR C C 169 173.876 173.876 173.345 0.531 19221 6018 1 6 . 1 1 169 169 THR CA C 169 61.580 61.580 61.446 0.134 19221 6019 1 6 . 1 1 169 169 THR CB C 169 69.750 69.750 70.148 -0.398 19221 6020 1 6 . 1 1 169 169 THR H H 169 8.824 8.824 9.018 -0.194 19221 6021 1 6 . 1 1 170 170 ILE N N 170 126.700 126.700 126.799 -0.099 19221 6022 1 6 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.467 0.075 19221 6023 1 6 . 1 1 170 170 ILE C C 170 175.672 175.672 175.077 0.595 19221 6024 1 6 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.349 -0.019 19221 6025 1 6 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.440 -0.830 19221 6026 1 6 . 1 1 170 170 ILE H H 170 8.911 8.911 8.572 0.339 19221 6027 1 6 . 1 1 171 171 SER N N 171 122.780 122.780 119.581 3.199 19221 6028 1 6 . 1 1 171 171 SER HA H 171 4.670 4.670 4.730 -0.060 19221 6029 1 6 . 1 1 171 171 SER C C 171 174.700 174.700 173.684 1.016 19221 6030 1 6 . 1 1 171 171 SER CA C 171 58.280 58.280 58.433 -0.153 19221 6031 1 6 . 1 1 171 171 SER CB C 171 64.560 64.560 65.723 -1.163 19221 6032 1 6 . 1 1 171 171 SER H H 171 9.242 9.242 9.168 0.074 19221 6033 1 6 . 1 1 172 172 TRP N N 172 123.970 123.970 120.601 3.369 19221 6034 1 6 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.807 -0.172 19221 6035 1 6 . 1 1 172 172 TRP C C 172 172.618 172.618 173.525 -0.907 19221 6036 1 6 . 1 1 172 172 TRP CA C 172 58.910 58.910 57.793 1.117 19221 6037 1 6 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.452 -0.802 19221 6038 1 6 . 1 1 172 172 TRP H H 172 7.929 7.929 7.589 0.340 19221 6039 1 6 . 1 1 173 173 VAL N N 173 123.660 123.660 121.724 1.936 19221 6040 1 6 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.224 -0.094 19221 6041 1 6 . 1 1 173 173 VAL C C 173 170.746 170.746 173.626 -2.880 19221 6042 1 6 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.596 -0.496 19221 6043 1 6 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.050 0.170 19221 6044 1 6 . 1 1 173 173 VAL H H 173 6.764 6.764 7.114 -0.350 19221 6045 1 6 . 1 1 174 174 GLN N N 174 126.430 126.430 123.955 2.475 19221 6046 1 6 . 1 1 174 174 GLN HA H 174 3.606 3.606 4.065 -0.459 19221 6047 1 6 . 1 1 174 174 GLN C C 174 172.955 172.955 175.149 -2.194 19221 6048 1 6 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.408 -0.358 19221 6049 1 6 . 1 1 174 174 GLN CB C 174 29.760 29.760 27.903 1.857 19221 6050 1 6 . 1 1 174 174 GLN H H 174 7.071 7.071 8.177 -1.106 19221 6051 1 6 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.080 -0.219 19221 6052 1 6 . 1 1 175 175 PRO C C 175 175.955 175.955 176.115 -0.160 19221 6053 1 6 . 1 1 175 175 PRO CA C 175 62.750 62.750 64.118 -1.367 19221 6054 1 6 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.789 0.611 19221 6055 1 7 . 1 1 2 2 LYS HA H 2 4.140 4.140 3.850 0.290 19221 6056 1 7 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.893 -0.803 19221 6057 1 7 . 1 1 2 2 LYS CB C 2 32.930 32.930 30.847 2.083 19221 6058 1 7 . 1 1 4 4 ASP C C 4 176.140 176.140 176.588 -0.448 19221 6059 1 7 . 1 1 4 4 ASP CA C 4 55.530 55.530 52.962 2.568 19221 6060 1 7 . 1 1 4 4 ASP CB C 4 41.980 41.980 43.727 -1.748 19221 6061 1 7 . 1 1 5 5 PHE N N 5 122.270 122.270 120.668 1.602 19221 6062 1 7 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.304 -0.125 19221 6063 1 7 . 1 1 5 5 PHE C C 5 177.706 177.706 177.092 0.614 19221 6064 1 7 . 1 1 5 5 PHE CA C 5 61.880 61.880 62.413 -0.533 19221 6065 1 7 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.072 -0.172 19221 6066 1 7 . 1 1 5 5 PHE H H 5 7.853 7.853 9.112 -1.259 19221 6067 1 7 . 1 1 6 6 ASN N N 6 114.920 114.920 117.873 -2.953 19221 6068 1 7 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.583 -0.182 19221 6069 1 7 . 1 1 6 6 ASN C C 6 176.990 176.990 177.609 -0.619 19221 6070 1 7 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.722 -0.252 19221 6071 1 7 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.342 0.881 19221 6072 1 7 . 1 1 6 6 ASN H H 6 8.051 8.051 9.190 -1.139 19221 6073 1 7 . 1 1 7 7 SER N N 7 112.970 112.970 117.514 -4.544 19221 6074 1 7 . 1 1 7 7 SER HA H 7 4.435 4.435 4.310 0.125 19221 6075 1 7 . 1 1 7 7 SER C C 7 177.780 177.780 176.638 1.142 19221 6076 1 7 . 1 1 7 7 SER CA C 7 61.440 61.440 61.556 -0.116 19221 6077 1 7 . 1 1 7 7 SER CB C 7 62.770 62.770 63.104 -0.334 19221 6078 1 7 . 1 1 7 7 SER H H 7 8.041 8.041 7.885 0.156 19221 6079 1 7 . 1 1 8 8 PHE N N 8 123.560 123.560 124.207 -0.647 19221 6080 1 7 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.156 -0.089 19221 6081 1 7 . 1 1 8 8 PHE C C 8 177.959 177.959 177.175 0.784 19221 6082 1 7 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.489 0.621 19221 6083 1 7 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.062 -0.096 19221 6084 1 7 . 1 1 8 8 PHE H H 8 8.364 8.364 8.641 -0.277 19221 6085 1 7 . 1 1 9 9 TYR N N 9 122.550 122.550 121.489 1.061 19221 6086 1 7 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.947 0.053 19221 6087 1 7 . 1 1 9 9 TYR C C 9 176.360 176.360 176.804 -0.444 19221 6088 1 7 . 1 1 9 9 TYR CA C 9 62.010 62.010 61.998 0.012 19221 6089 1 7 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.232 -0.032 19221 6090 1 7 . 1 1 9 9 TYR H H 9 8.230 8.230 9.102 -0.873 19221 6091 1 7 . 1 1 10 10 TYR N N 10 115.490 115.490 119.018 -3.528 19221 6092 1 7 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.858 0.248 19221 6093 1 7 . 1 1 10 10 TYR C C 10 180.280 180.280 177.639 2.641 19221 6094 1 7 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.526 0.994 19221 6095 1 7 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.763 -0.833 19221 6096 1 7 . 1 1 10 10 TYR H H 10 7.958 7.958 8.475 -0.517 19221 6097 1 7 . 1 1 11 11 THR N N 11 115.140 115.140 116.101 -0.961 19221 6098 1 7 . 1 1 11 11 THR HA H 11 3.934 3.934 3.696 0.238 19221 6099 1 7 . 1 1 11 11 THR CA C 11 66.560 66.560 66.890 -0.330 19221 6100 1 7 . 1 1 11 11 THR CB C 11 68.750 68.750 67.934 0.816 19221 6101 1 7 . 1 1 11 11 THR H H 11 8.806 8.806 8.534 0.272 19221 6102 1 7 . 1 1 12 12 SER N N 12 120.384 120.384 117.734 2.650 19221 6103 1 7 . 1 1 12 12 SER HA H 12 3.346 3.346 4.071 -0.725 19221 6104 1 7 . 1 1 12 12 SER C C 12 175.891 175.891 176.206 -0.315 19221 6105 1 7 . 1 1 12 12 SER CA C 12 62.740 62.740 61.777 0.963 19221 6106 1 7 . 1 1 12 12 SER CB C 12 62.580 62.580 62.710 -0.130 19221 6107 1 7 . 1 1 12 12 SER H H 12 8.151 8.151 7.935 0.216 19221 6108 1 7 . 1 1 13 13 LEU N N 13 121.640 121.640 121.261 0.379 19221 6109 1 7 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.927 -0.126 19221 6110 1 7 . 1 1 13 13 LEU C C 13 180.374 180.374 178.063 2.311 19221 6111 1 7 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.278 1.072 19221 6112 1 7 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.732 -0.322 19221 6113 1 7 . 1 1 13 13 LEU H H 13 7.893 7.893 7.670 0.223 19221 6114 1 7 . 1 1 14 14 LEU N N 14 120.470 120.470 120.672 -0.202 19221 6115 1 7 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.733 0.428 19221 6116 1 7 . 1 1 14 14 LEU C C 14 179.880 179.880 178.276 1.604 19221 6117 1 7 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.655 0.345 19221 6118 1 7 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.717 -0.167 19221 6119 1 7 . 1 1 14 14 LEU H H 14 7.528 7.528 8.158 -0.630 19221 6120 1 7 . 1 1 15 15 TYR N N 15 122.257 122.257 119.055 3.202 19221 6121 1 7 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.139 0.126 19221 6122 1 7 . 1 1 15 15 TYR C C 15 177.033 177.033 177.505 -0.472 19221 6123 1 7 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.807 -0.077 19221 6124 1 7 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.296 -0.196 19221 6125 1 7 . 1 1 15 15 TYR H H 15 8.135 8.135 8.299 -0.164 19221 6126 1 7 . 1 1 16 16 LEU N N 16 118.440 118.440 118.792 -0.352 19221 6127 1 7 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.712 0.093 19221 6128 1 7 . 1 1 16 16 LEU C C 16 179.055 179.055 178.936 0.119 19221 6129 1 7 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.244 -0.031 19221 6130 1 7 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.711 0.354 19221 6131 1 7 . 1 1 16 16 LEU H H 16 8.452 8.452 7.858 0.594 19221 6132 1 7 . 1 1 17 17 SER N N 17 114.450 114.450 114.684 -0.234 19221 6133 1 7 . 1 1 17 17 SER HA H 17 4.430 4.430 4.171 0.259 19221 6134 1 7 . 1 1 17 17 SER C C 17 175.197 175.197 175.850 -0.653 19221 6135 1 7 . 1 1 17 17 SER CA C 17 61.040 61.040 60.793 0.247 19221 6136 1 7 . 1 1 17 17 SER CB C 17 63.460 63.460 63.392 0.069 19221 6137 1 7 . 1 1 17 17 SER H H 17 7.848 7.848 7.917 -0.069 19221 6138 1 7 . 1 1 18 18 THR N N 18 110.850 110.850 111.378 -0.528 19221 6139 1 7 . 1 1 18 18 THR HA H 18 4.452 4.452 4.245 0.207 19221 6140 1 7 . 1 1 18 18 THR C C 18 174.439 174.439 174.103 0.336 19221 6141 1 7 . 1 1 18 18 THR CA C 18 61.421 61.421 63.225 -1.804 19221 6142 1 7 . 1 1 18 18 THR CB C 18 69.940 69.940 69.160 0.780 19221 6143 1 7 . 1 1 18 18 THR H H 18 7.505 7.505 7.818 -0.313 19221 6144 1 7 . 1 1 19 19 LEU N N 19 123.180 123.180 120.965 2.215 19221 6145 1 7 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.648 -0.488 19221 6146 1 7 . 1 1 19 19 LEU C C 19 176.926 176.926 175.318 1.608 19221 6147 1 7 . 1 1 19 19 LEU CA C 19 55.290 55.290 52.694 2.596 19221 6148 1 7 . 1 1 19 19 LEU CB C 19 42.448 42.448 45.458 -3.010 19221 6149 1 7 . 1 1 19 19 LEU H H 19 7.095 7.095 7.476 -0.381 19221 6150 1 7 . 1 1 20 20 GLU N N 20 125.330 125.330 121.313 4.017 19221 6151 1 7 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.354 0.254 19221 6152 1 7 . 1 1 20 20 GLU C C 20 175.915 175.915 175.734 0.181 19221 6153 1 7 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.338 -0.565 19221 6154 1 7 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.637 -0.047 19221 6155 1 7 . 1 1 20 20 GLU H H 20 8.535 8.535 8.504 0.031 19221 6156 1 7 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.190 0.143 19221 6157 1 7 . 1 1 21 21 PRO C C 21 177.196 177.196 177.375 -0.179 19221 6158 1 7 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.393 0.387 19221 6159 1 7 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.868 -0.018 19221 6160 1 7 . 1 1 22 22 SER N N 22 111.220 111.220 116.499 -5.279 19221 6161 1 7 . 1 1 22 22 SER HA H 22 4.398 4.398 4.391 0.007 19221 6162 1 7 . 1 1 22 22 SER C C 22 175.056 175.056 174.032 1.024 19221 6163 1 7 . 1 1 22 22 SER CA C 22 58.530 58.530 57.593 0.938 19221 6164 1 7 . 1 1 22 22 SER CB C 22 63.500 63.500 62.215 1.285 19221 6165 1 7 . 1 1 22 22 SER H H 22 7.967 7.967 8.032 -0.065 19221 6166 1 7 . 1 1 23 23 THR N N 23 117.440 117.440 114.408 3.032 19221 6167 1 7 . 1 1 23 23 THR HA H 23 4.279 4.279 4.208 0.071 19221 6168 1 7 . 1 1 23 23 THR C C 23 174.573 174.573 175.668 -1.095 19221 6169 1 7 . 1 1 23 23 THR CA C 23 62.920 62.920 61.733 1.187 19221 6170 1 7 . 1 1 23 23 THR CB C 23 69.260 69.260 69.645 -0.385 19221 6171 1 7 . 1 1 23 23 THR H H 23 7.936 7.936 7.629 0.307 19221 6172 1 7 . 1 1 24 24 SER N N 24 119.820 119.820 118.336 1.484 19221 6173 1 7 . 1 1 24 24 SER HA H 24 4.485 4.485 4.279 0.206 19221 6174 1 7 . 1 1 24 24 SER C C 24 174.082 174.082 174.740 -0.658 19221 6175 1 7 . 1 1 24 24 SER CA C 24 58.600 58.600 59.961 -1.361 19221 6176 1 7 . 1 1 24 24 SER CB C 24 63.430 63.430 62.931 0.499 19221 6177 1 7 . 1 1 24 24 SER H H 24 8.438 8.438 8.466 -0.028 19221 6178 1 7 . 1 1 25 25 ILE N N 25 123.140 123.140 121.972 1.168 19221 6179 1 7 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.086 0.393 19221 6180 1 7 . 1 1 25 25 ILE C C 25 176.472 176.472 175.866 0.606 19221 6181 1 7 . 1 1 25 25 ILE CA C 25 61.010 61.010 61.184 -0.174 19221 6182 1 7 . 1 1 25 25 ILE CB C 25 39.460 39.460 38.734 0.726 19221 6183 1 7 . 1 1 25 25 ILE H H 25 7.870 7.870 7.580 0.290 19221 6184 1 7 . 1 1 26 26 THR N N 26 118.120 118.120 115.671 2.449 19221 6185 1 7 . 1 1 26 26 THR HA H 26 4.394 4.394 4.541 -0.147 19221 6186 1 7 . 1 1 26 26 THR C C 26 175.540 175.540 175.460 0.080 19221 6187 1 7 . 1 1 26 26 THR CA C 26 61.890 61.890 60.653 1.237 19221 6188 1 7 . 1 1 26 26 THR CB C 26 71.320 71.320 70.195 1.125 19221 6189 1 7 . 1 1 26 26 THR H H 26 8.649 8.649 8.149 0.500 19221 6190 1 7 . 1 1 27 27 LEU N N 27 123.130 123.130 121.835 1.295 19221 6191 1 7 . 1 1 27 27 LEU HA H 27 4.089 4.089 3.964 0.125 19221 6192 1 7 . 1 1 27 27 LEU C C 27 178.653 178.653 178.254 0.399 19221 6193 1 7 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.508 0.252 19221 6194 1 7 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.686 -0.506 19221 6195 1 7 . 1 1 27 27 LEU H H 27 8.766 8.766 8.408 0.358 19221 6196 1 7 . 1 1 28 28 ALA N N 28 119.510 119.510 121.016 -1.506 19221 6197 1 7 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.020 0.243 19221 6198 1 7 . 1 1 28 28 ALA C C 28 178.218 178.218 179.683 -1.465 19221 6199 1 7 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.983 0.337 19221 6200 1 7 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.086 0.034 19221 6201 1 7 . 1 1 28 28 ALA H H 28 8.546 8.546 8.315 0.231 19221 6202 1 7 . 1 1 29 29 GLU N N 29 118.210 118.210 118.211 -0.001 19221 6203 1 7 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.073 0.008 19221 6204 1 7 . 1 1 29 29 GLU C C 29 179.929 179.929 179.285 0.644 19221 6205 1 7 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.256 0.044 19221 6206 1 7 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.616 0.460 19221 6207 1 7 . 1 1 29 29 GLU H H 29 7.719 7.719 8.085 -0.366 19221 6208 1 7 . 1 1 30 30 ARG N N 30 121.350 121.350 120.428 0.922 19221 6209 1 7 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.015 -0.056 19221 6210 1 7 . 1 1 30 30 ARG C C 30 177.538 177.538 178.841 -1.303 19221 6211 1 7 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.916 0.729 19221 6212 1 7 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.098 0.902 19221 6213 1 7 . 1 1 30 30 ARG H H 30 8.410 8.410 8.377 0.033 19221 6214 1 7 . 1 1 31 31 GLN N N 31 117.670 117.670 119.055 -1.385 19221 6215 1 7 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.062 -0.110 19221 6216 1 7 . 1 1 31 31 GLN C C 31 178.220 178.220 178.913 -0.693 19221 6217 1 7 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.425 -0.470 19221 6218 1 7 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.621 0.009 19221 6219 1 7 . 1 1 31 31 GLN H H 31 8.742 8.742 8.396 0.346 19221 6220 1 7 . 1 1 32 32 GLN N N 32 117.910 117.910 118.903 -0.993 19221 6221 1 7 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.155 -0.168 19221 6222 1 7 . 1 1 32 32 GLN C C 32 177.712 177.712 178.768 -1.056 19221 6223 1 7 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.514 -0.184 19221 6224 1 7 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.462 -0.142 19221 6225 1 7 . 1 1 32 32 GLN H H 32 7.732 7.732 7.905 -0.173 19221 6226 1 7 . 1 1 33 33 LEU N N 33 119.680 119.680 121.268 -1.588 19221 6227 1 7 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.104 0.300 19221 6228 1 7 . 1 1 33 33 LEU C C 33 178.876 178.876 178.325 0.551 19221 6229 1 7 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.456 0.594 19221 6230 1 7 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.384 0.416 19221 6231 1 7 . 1 1 33 33 LEU H H 33 7.846 7.846 8.537 -0.691 19221 6232 1 7 . 1 1 34 34 ALA N N 34 121.660 121.660 122.732 -1.072 19221 6233 1 7 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.935 -0.194 19221 6234 1 7 . 1 1 34 34 ALA C C 34 180.025 180.025 179.027 0.998 19221 6235 1 7 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.400 0.270 19221 6236 1 7 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.093 0.847 19221 6237 1 7 . 1 1 34 34 ALA H H 34 8.308 8.308 8.641 -0.333 19221 6238 1 7 . 1 1 35 35 TYR N N 35 120.860 120.860 119.530 1.330 19221 6239 1 7 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.657 0.101 19221 6240 1 7 . 1 1 35 35 TYR C C 35 176.384 176.384 177.049 -0.665 19221 6241 1 7 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.544 0.476 19221 6242 1 7 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.527 0.933 19221 6243 1 7 . 1 1 35 35 TYR H H 35 8.457 8.457 8.312 0.145 19221 6244 1 7 . 1 1 36 36 ASP N N 36 120.570 120.570 119.292 1.278 19221 6245 1 7 . 1 1 36 36 ASP HA H 36 4.235 4.235 3.972 0.263 19221 6246 1 7 . 1 1 36 36 ASP C C 36 180.544 180.544 178.566 1.978 19221 6247 1 7 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.380 0.559 19221 6248 1 7 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.834 -0.364 19221 6249 1 7 . 1 1 36 36 ASP H H 36 9.072 9.072 8.340 0.732 19221 6250 1 7 . 1 1 37 37 LEU N N 37 123.000 123.000 120.336 2.664 19221 6251 1 7 . 1 1 37 37 LEU HA H 37 4.146 4.146 3.967 0.179 19221 6252 1 7 . 1 1 37 37 LEU C C 37 178.743 178.743 179.083 -0.340 19221 6253 1 7 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.516 0.098 19221 6254 1 7 . 1 1 37 37 LEU CB C 37 42.810 42.810 42.088 0.722 19221 6255 1 7 . 1 1 37 37 LEU H H 37 9.068 9.068 8.424 0.644 19221 6256 1 7 . 1 1 38 38 SER N N 38 116.650 116.650 114.155 2.495 19221 6257 1 7 . 1 1 38 38 SER HA H 38 3.680 3.680 3.917 -0.237 19221 6258 1 7 . 1 1 38 38 SER C C 38 174.113 174.113 176.280 -2.167 19221 6259 1 7 . 1 1 38 38 SER CA C 38 59.430 59.430 62.109 -2.679 19221 6260 1 7 . 1 1 38 38 SER CB C 38 63.559 63.559 62.780 0.779 19221 6261 1 7 . 1 1 38 38 SER H H 38 7.824 7.824 7.876 -0.052 19221 6262 1 7 . 1 1 39 39 ILE N N 39 121.198 121.198 122.268 -1.070 19221 6263 1 7 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.468 -0.063 19221 6264 1 7 . 1 1 39 39 ILE C C 39 176.113 176.113 177.559 -1.446 19221 6265 1 7 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.750 -1.390 19221 6266 1 7 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.740 -1.393 19221 6267 1 7 . 1 1 39 39 ILE H H 39 8.313 8.313 8.318 -0.005 19221 6268 1 7 . 1 1 40 40 SER N N 40 115.537 115.537 114.998 0.539 19221 6269 1 7 . 1 1 40 40 SER HA H 40 4.534 4.534 4.066 0.468 19221 6270 1 7 . 1 1 40 40 SER C C 40 174.881 174.881 175.666 -0.785 19221 6271 1 7 . 1 1 40 40 SER CA C 40 62.520 62.520 61.863 0.657 19221 6272 1 7 . 1 1 40 40 SER CB C 40 62.670 62.670 62.739 -0.069 19221 6273 1 7 . 1 1 40 40 SER H H 40 7.961 7.961 8.341 -0.380 19221 6274 1 7 . 1 1 41 41 ALA N N 41 123.360 123.360 123.445 -0.085 19221 6275 1 7 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.910 -0.318 19221 6276 1 7 . 1 1 41 41 ALA C C 41 178.822 178.822 179.979 -1.157 19221 6277 1 7 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.050 0.072 19221 6278 1 7 . 1 1 41 41 ALA CB C 41 18.390 18.390 17.916 0.474 19221 6279 1 7 . 1 1 41 41 ALA H H 41 7.878 7.878 7.427 0.451 19221 6280 1 7 . 1 1 42 42 LEU N N 42 115.790 115.790 118.721 -2.931 19221 6281 1 7 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.145 -0.569 19221 6282 1 7 . 1 1 42 42 LEU C C 42 179.683 179.683 177.146 2.537 19221 6283 1 7 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.642 1.089 19221 6284 1 7 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.427 -0.217 19221 6285 1 7 . 1 1 42 42 LEU H H 42 7.737 7.737 7.998 -0.261 19221 6286 1 7 . 1 1 43 43 LEU N N 43 113.670 113.670 109.870 3.800 19221 6287 1 7 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.054 -0.047 19221 6288 1 7 . 1 1 43 43 LEU C C 43 177.279 177.279 175.660 1.619 19221 6289 1 7 . 1 1 43 43 LEU CA C 43 54.930 54.930 52.429 2.501 19221 6290 1 7 . 1 1 43 43 LEU CB C 43 40.820 40.820 39.943 0.877 19221 6291 1 7 . 1 1 43 43 LEU H H 43 7.798 7.798 7.296 0.502 19221 6292 1 7 . 1 1 44 44 GLY N N 44 108.270 108.270 108.457 -0.187 19221 6293 1 7 . 1 1 44 44 GLY C C 44 177.020 177.020 174.529 2.491 19221 6294 1 7 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.467 2.423 19221 6295 1 7 . 1 1 44 44 GLY H H 44 7.984 7.984 7.259 0.725 19221 6296 1 7 . 1 1 45 45 ASP N N 45 128.400 128.400 122.635 5.765 19221 6297 1 7 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.946 -0.387 19221 6298 1 7 . 1 1 45 45 ASP C C 45 177.183 177.183 176.851 0.332 19221 6299 1 7 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.081 -0.631 19221 6300 1 7 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.510 -1.720 19221 6301 1 7 . 1 1 45 45 ASP H H 45 9.073 9.073 9.123 -0.050 19221 6302 1 7 . 1 1 46 46 LYS N N 46 117.230 117.230 115.031 2.199 19221 6303 1 7 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.530 0.415 19221 6304 1 7 . 1 1 46 46 LYS C C 46 176.544 176.544 175.993 0.551 19221 6305 1 7 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.863 -0.253 19221 6306 1 7 . 1 1 46 46 LYS CB C 46 33.960 33.960 33.858 0.102 19221 6307 1 7 . 1 1 46 46 LYS H H 46 8.987 8.987 8.341 0.646 19221 6308 1 7 . 1 1 47 47 ILE N N 47 121.540 121.540 121.128 0.412 19221 6309 1 7 . 1 1 47 47 ILE HA H 47 4.097 4.097 4.136 -0.039 19221 6310 1 7 . 1 1 47 47 ILE C C 47 174.082 174.082 175.894 -1.812 19221 6311 1 7 . 1 1 47 47 ILE CA C 47 61.080 61.080 61.225 -0.145 19221 6312 1 7 . 1 1 47 47 ILE CB C 47 37.008 37.008 38.280 -1.272 19221 6313 1 7 . 1 1 47 47 ILE H H 47 6.840 6.840 7.572 -0.732 19221 6314 1 7 . 1 1 48 48 TYR N N 48 123.820 123.820 128.643 -4.823 19221 6315 1 7 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.324 -0.015 19221 6316 1 7 . 1 1 48 48 TYR C C 48 173.249 173.249 175.123 -1.874 19221 6317 1 7 . 1 1 48 48 TYR CA C 48 57.350 57.350 58.481 -1.131 19221 6318 1 7 . 1 1 48 48 TYR CB C 48 39.230 39.230 40.252 -1.022 19221 6319 1 7 . 1 1 48 48 TYR H H 48 8.511 8.511 8.592 -0.081 19221 6320 1 7 . 1 1 49 49 ASN N N 49 116.100 116.100 120.663 -4.563 19221 6321 1 7 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.030 0.420 19221 6322 1 7 . 1 1 49 49 ASN C C 49 175.429 175.429 176.220 -0.791 19221 6323 1 7 . 1 1 49 49 ASN CA C 49 53.077 53.077 51.448 1.629 19221 6324 1 7 . 1 1 49 49 ASN CB C 49 39.916 39.916 36.780 3.136 19221 6325 1 7 . 1 1 49 49 ASN H H 49 6.906 6.906 8.186 -1.280 19221 6326 1 7 . 1 1 50 50 PHE N N 50 124.360 124.360 122.050 2.310 19221 6327 1 7 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.338 0.673 19221 6328 1 7 . 1 1 50 50 PHE C C 50 176.190 176.190 177.634 -1.444 19221 6329 1 7 . 1 1 50 50 PHE CA C 50 55.863 55.863 57.923 -2.060 19221 6330 1 7 . 1 1 50 50 PHE CB C 50 38.482 38.482 38.145 0.337 19221 6331 1 7 . 1 1 50 50 PHE H H 50 8.980 8.980 8.408 0.572 19221 6332 1 7 . 1 1 51 51 GLY N N 51 109.740 109.740 108.178 1.562 19221 6333 1 7 . 1 1 51 51 GLY C C 51 175.758 175.758 175.748 0.010 19221 6334 1 7 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.373 0.927 19221 6335 1 7 . 1 1 51 51 GLY H H 51 8.658 8.658 8.310 0.348 19221 6336 1 7 . 1 1 52 52 GLU N N 52 120.700 120.700 123.002 -2.302 19221 6337 1 7 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.171 -0.089 19221 6338 1 7 . 1 1 52 52 GLU C C 52 178.240 178.240 179.238 -0.998 19221 6339 1 7 . 1 1 52 52 GLU CA C 52 59.210 59.210 58.900 0.310 19221 6340 1 7 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.792 -0.053 19221 6341 1 7 . 1 1 52 52 GLU H H 52 8.321 8.321 8.375 -0.054 19221 6342 1 7 . 1 1 53 53 LEU N N 53 119.400 119.400 122.805 -3.405 19221 6343 1 7 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.083 0.075 19221 6344 1 7 . 1 1 53 53 LEU C C 53 178.344 178.344 178.753 -0.409 19221 6345 1 7 . 1 1 53 53 LEU CA C 53 57.790 57.790 58.047 -0.258 19221 6346 1 7 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.023 0.817 19221 6347 1 7 . 1 1 53 53 LEU H H 53 7.694 7.694 7.542 0.152 19221 6348 1 7 . 1 1 54 54 LEU N N 54 114.230 114.230 113.992 0.238 19221 6349 1 7 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.082 -0.159 19221 6350 1 7 . 1 1 54 54 LEU C C 54 178.643 178.643 177.294 1.349 19221 6351 1 7 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.488 1.242 19221 6352 1 7 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.688 0.162 19221 6353 1 7 . 1 1 54 54 LEU H H 54 8.369 8.369 8.185 0.184 19221 6354 1 7 . 1 1 55 55 HIS N N 55 113.420 113.420 111.809 1.611 19221 6355 1 7 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.772 -0.065 19221 6356 1 7 . 1 1 55 55 HIS C C 55 173.981 173.981 174.938 -0.957 19221 6357 1 7 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.481 0.039 19221 6358 1 7 . 1 1 55 55 HIS CB C 55 29.280 29.280 30.818 -1.538 19221 6359 1 7 . 1 1 55 55 HIS H H 55 7.569 7.569 7.639 -0.071 19221 6360 1 7 . 1 1 56 56 HIS N N 56 126.050 126.050 123.135 2.915 19221 6361 1 7 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.610 -0.129 19221 6362 1 7 . 1 1 56 56 HIS C C 56 176.705 176.705 174.770 1.935 19221 6363 1 7 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.156 2.194 19221 6364 1 7 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.237 0.483 19221 6365 1 7 . 1 1 56 56 HIS H H 56 8.068 8.068 7.953 0.115 19221 6366 1 7 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.117 0.260 19221 6367 1 7 . 1 1 57 57 PRO C C 57 179.790 179.790 178.401 1.389 19221 6368 1 7 . 1 1 57 57 PRO CA C 57 65.440 65.440 65.341 0.099 19221 6369 1 7 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.595 0.835 19221 6370 1 7 . 1 1 58 58 ILE N N 58 124.900 124.900 119.011 5.889 19221 6371 1 7 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.662 0.608 19221 6372 1 7 . 1 1 58 58 ILE C C 58 177.782 177.782 176.745 1.037 19221 6373 1 7 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.797 -1.266 19221 6374 1 7 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.531 0.739 19221 6375 1 7 . 1 1 58 58 ILE H H 58 11.871 11.871 7.552 4.319 19221 6376 1 7 . 1 1 59 59 MET N N 59 120.230 120.230 116.251 3.979 19221 6377 1 7 . 1 1 59 59 MET HA H 59 4.431 4.431 4.204 0.227 19221 6378 1 7 . 1 1 59 59 MET C C 59 178.757 178.757 178.195 0.562 19221 6379 1 7 . 1 1 59 59 MET CA C 59 55.720 55.720 58.302 -2.582 19221 6380 1 7 . 1 1 59 59 MET CB C 59 30.980 30.980 31.955 -0.975 19221 6381 1 7 . 1 1 59 59 MET H H 59 8.152 8.152 8.160 -0.008 19221 6382 1 7 . 1 1 60 60 GLU N N 60 119.080 119.080 120.211 -1.131 19221 6383 1 7 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.928 0.080 19221 6384 1 7 . 1 1 60 60 GLU C C 60 178.242 178.242 178.062 0.180 19221 6385 1 7 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.174 -0.654 19221 6386 1 7 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.402 1.145 19221 6387 1 7 . 1 1 60 60 GLU H H 60 7.889 7.889 7.970 -0.081 19221 6388 1 7 . 1 1 61 61 THR N N 61 106.740 106.740 109.535 -2.795 19221 6389 1 7 . 1 1 61 61 THR HA H 61 4.120 4.120 4.133 -0.013 19221 6390 1 7 . 1 1 61 61 THR C C 61 176.056 176.056 175.888 0.168 19221 6391 1 7 . 1 1 61 61 THR CA C 61 64.520 64.520 64.256 0.264 19221 6392 1 7 . 1 1 61 61 THR CB C 61 69.420 69.420 69.295 0.125 19221 6393 1 7 . 1 1 61 61 THR H H 61 7.558 7.558 7.520 0.038 19221 6394 1 7 . 1 1 62 62 ILE N N 62 113.140 113.140 114.071 -0.931 19221 6395 1 7 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.567 0.020 19221 6396 1 7 . 1 1 62 62 ILE C C 62 176.843 176.843 176.838 0.005 19221 6397 1 7 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.545 0.245 19221 6398 1 7 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.623 -0.253 19221 6399 1 7 . 1 1 62 62 ILE H H 62 7.235 7.235 7.641 -0.406 19221 6400 1 7 . 1 1 63 63 VAL N N 63 122.110 122.110 118.854 3.256 19221 6401 1 7 . 1 1 63 63 VAL HA H 63 3.346 3.346 2.554 0.792 19221 6402 1 7 . 1 1 63 63 VAL C C 63 175.165 175.165 175.775 -0.610 19221 6403 1 7 . 1 1 63 63 VAL CA C 63 64.440 64.440 64.753 -0.313 19221 6404 1 7 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.410 -0.211 19221 6405 1 7 . 1 1 63 63 VAL H H 63 7.436 7.436 7.892 -0.456 19221 6406 1 7 . 1 1 64 64 ASN N N 64 116.810 116.810 115.293 1.517 19221 6407 1 7 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.689 0.092 19221 6408 1 7 . 1 1 64 64 ASN C C 64 174.101 174.101 173.929 0.172 19221 6409 1 7 . 1 1 64 64 ASN CA C 64 52.900 52.900 52.644 0.256 19221 6410 1 7 . 1 1 64 64 ASN CB C 64 38.779 38.779 39.671 -0.892 19221 6411 1 7 . 1 1 64 64 ASN H H 64 8.352 8.352 8.059 0.293 19221 6412 1 7 . 1 1 65 65 ASP N N 65 120.930 120.930 119.325 1.605 19221 6413 1 7 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.769 0.111 19221 6414 1 7 . 1 1 65 65 ASP C C 65 177.534 177.534 176.473 1.061 19221 6415 1 7 . 1 1 65 65 ASP CA C 65 53.170 53.170 53.297 -0.127 19221 6416 1 7 . 1 1 65 65 ASP CB C 65 43.100 43.100 43.455 -0.355 19221 6417 1 7 . 1 1 65 65 ASP H H 65 7.453 7.453 7.547 -0.094 19221 6418 1 7 . 1 1 66 66 SER HA H 66 4.356 4.356 4.170 0.186 19221 6419 1 7 . 1 1 66 66 SER C C 66 176.310 176.310 175.482 0.828 19221 6420 1 7 . 1 1 66 66 SER CA C 66 61.350 61.350 60.995 0.355 19221 6421 1 7 . 1 1 66 66 SER CB C 66 63.120 63.120 63.449 -0.329 19221 6422 1 7 . 1 1 66 66 SER H H 66 7.010 7.010 8.659 -1.649 19221 6423 1 7 . 1 1 67 67 ASN N N 67 120.050 120.050 119.677 0.373 19221 6424 1 7 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.338 0.267 19221 6425 1 7 . 1 1 67 67 ASN C C 67 176.107 176.107 175.562 0.545 19221 6426 1 7 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.614 -0.044 19221 6427 1 7 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.779 -0.179 19221 6428 1 7 . 1 1 67 67 ASN H H 67 9.014 9.014 8.304 0.710 19221 6429 1 7 . 1 1 68 68 TYR N N 68 114.840 114.840 112.958 1.882 19221 6430 1 7 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.306 0.213 19221 6431 1 7 . 1 1 68 68 TYR C C 68 175.709 175.709 175.437 0.272 19221 6432 1 7 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.029 1.581 19221 6433 1 7 . 1 1 68 68 TYR CB C 68 39.750 39.750 37.653 2.097 19221 6434 1 7 . 1 1 68 68 TYR H H 68 8.276 8.276 7.460 0.816 19221 6435 1 7 . 1 1 69 69 ASP N N 69 122.810 122.810 122.993 -0.183 19221 6436 1 7 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.440 0.012 19221 6437 1 7 . 1 1 69 69 ASP C C 69 178.371 178.371 177.661 0.710 19221 6438 1 7 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.008 0.622 19221 6439 1 7 . 1 1 69 69 ASP CB C 69 40.630 40.630 41.191 -0.561 19221 6440 1 7 . 1 1 69 69 ASP H H 69 7.806 7.806 7.671 0.135 19221 6441 1 7 . 1 1 70 70 TRP N N 70 117.270 117.270 119.030 -1.760 19221 6442 1 7 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.488 -0.324 19221 6443 1 7 . 1 1 70 70 TRP C C 70 176.090 176.090 177.657 -1.567 19221 6444 1 7 . 1 1 70 70 TRP CA C 70 58.530 58.530 60.283 -1.753 19221 6445 1 7 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.170 -0.620 19221 6446 1 7 . 1 1 70 70 TRP H H 70 8.172 8.172 8.041 0.131 19221 6447 1 7 . 1 1 71 71 LEU N N 71 125.263 125.263 122.711 2.552 19221 6448 1 7 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.700 -0.460 19221 6449 1 7 . 1 1 71 71 LEU C C 71 178.306 178.306 178.247 0.059 19221 6450 1 7 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.032 0.577 19221 6451 1 7 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.302 0.888 19221 6452 1 7 . 1 1 71 71 LEU H H 71 6.251 6.251 6.289 -0.038 19221 6453 1 7 . 1 1 72 72 PHE N N 72 117.630 117.630 119.860 -2.230 19221 6454 1 7 . 1 1 72 72 PHE HA H 72 3.813 3.813 4.007 -0.194 19221 6455 1 7 . 1 1 72 72 PHE C C 72 178.797 178.797 177.330 1.467 19221 6456 1 7 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.370 1.202 19221 6457 1 7 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.795 0.015 19221 6458 1 7 . 1 1 72 72 PHE H H 72 6.996 6.996 8.603 -1.607 19221 6459 1 7 . 1 1 73 73 GLN N N 73 117.950 117.950 117.794 0.156 19221 6460 1 7 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.619 0.447 19221 6461 1 7 . 1 1 73 73 GLN C C 73 179.341 179.341 178.226 1.115 19221 6462 1 7 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.533 0.557 19221 6463 1 7 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.775 -0.525 19221 6464 1 7 . 1 1 73 73 GLN H H 73 8.415 8.415 8.430 -0.015 19221 6465 1 7 . 1 1 74 74 LEU N N 74 122.275 122.275 122.946 -0.671 19221 6466 1 7 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.165 -0.095 19221 6467 1 7 . 1 1 74 74 LEU C C 74 177.889 177.889 178.277 -0.388 19221 6468 1 7 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.628 0.942 19221 6469 1 7 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.782 0.398 19221 6470 1 7 . 1 1 74 74 LEU H H 74 8.365 8.365 8.181 0.184 19221 6471 1 7 . 1 1 75 75 LEU N N 75 118.123 118.123 119.338 -1.215 19221 6472 1 7 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.762 -0.035 19221 6473 1 7 . 1 1 75 75 LEU C C 75 180.172 180.172 179.236 0.936 19221 6474 1 7 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.366 0.087 19221 6475 1 7 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.101 1.239 19221 6476 1 7 . 1 1 75 75 LEU H H 75 8.210 8.210 8.432 -0.222 19221 6477 1 7 . 1 1 76 76 ASN N N 76 117.960 117.960 118.000 -0.040 19221 6478 1 7 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.305 0.070 19221 6479 1 7 . 1 1 76 76 ASN C C 76 176.582 176.582 177.156 -0.574 19221 6480 1 7 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.211 0.749 19221 6481 1 7 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.973 0.977 19221 6482 1 7 . 1 1 76 76 ASN H H 76 8.363 8.363 8.186 0.177 19221 6483 1 7 . 1 1 77 77 ALA N N 77 121.740 121.740 122.002 -0.262 19221 6484 1 7 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.081 0.086 19221 6485 1 7 . 1 1 77 77 ALA C C 77 179.988 179.988 179.909 0.079 19221 6486 1 7 . 1 1 77 77 ALA CA C 77 55.560 55.560 55.042 0.518 19221 6487 1 7 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.455 -1.125 19221 6488 1 7 . 1 1 77 77 ALA H H 77 8.385 8.385 8.383 0.003 19221 6489 1 7 . 1 1 78 78 LEU N N 78 116.550 116.550 117.021 -0.471 19221 6490 1 7 . 1 1 78 78 LEU HA H 78 3.653 3.653 4.190 -0.537 19221 6491 1 7 . 1 1 78 78 LEU C C 78 177.576 177.576 179.084 -1.508 19221 6492 1 7 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.556 1.428 19221 6493 1 7 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.807 0.203 19221 6494 1 7 . 1 1 78 78 LEU H H 78 7.965 7.965 7.643 0.322 19221 6495 1 7 . 1 1 79 79 THR N N 79 113.220 113.220 114.462 -1.242 19221 6496 1 7 . 1 1 79 79 THR HA H 79 3.807 3.807 4.053 -0.246 19221 6497 1 7 . 1 1 79 79 THR C C 79 176.163 176.163 175.870 0.293 19221 6498 1 7 . 1 1 79 79 THR CA C 79 66.980 66.980 66.015 0.965 19221 6499 1 7 . 1 1 79 79 THR CB C 79 69.240 69.240 69.362 -0.122 19221 6500 1 7 . 1 1 79 79 THR H H 79 7.565 7.565 8.169 -0.604 19221 6501 1 7 . 1 1 80 80 VAL N N 80 110.800 110.800 113.310 -2.510 19221 6502 1 7 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.262 0.247 19221 6503 1 7 . 1 1 80 80 VAL C C 80 176.751 176.751 176.839 -0.088 19221 6504 1 7 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.153 -1.263 19221 6505 1 7 . 1 1 80 80 VAL CB C 80 32.005 32.005 32.112 -0.107 19221 6506 1 7 . 1 1 80 80 VAL H H 80 7.792 7.792 7.833 -0.041 19221 6507 1 7 . 1 1 81 81 GLY N N 81 112.910 112.910 110.089 2.821 19221 6508 1 7 . 1 1 81 81 GLY C C 81 173.874 173.874 173.216 0.658 19221 6509 1 7 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.363 1.917 19221 6510 1 7 . 1 1 81 81 GLY H H 81 7.506 7.506 7.721 -0.215 19221 6511 1 7 . 1 1 82 82 ASP N N 82 119.112 119.112 121.204 -2.092 19221 6512 1 7 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.579 0.261 19221 6513 1 7 . 1 1 82 82 ASP C C 82 175.706 175.706 176.263 -0.557 19221 6514 1 7 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.767 0.153 19221 6515 1 7 . 1 1 82 82 ASP CB C 82 39.950 39.950 41.879 -1.929 19221 6516 1 7 . 1 1 82 82 ASP H H 82 8.254 8.254 7.880 0.374 19221 6517 1 7 . 1 1 83 83 PHE N N 83 123.870 123.870 124.660 -0.790 19221 6518 1 7 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.283 -0.455 19221 6519 1 7 . 1 1 83 83 PHE C C 83 177.950 177.950 177.388 0.562 19221 6520 1 7 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.915 1.655 19221 6521 1 7 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.646 0.474 19221 6522 1 7 . 1 1 83 83 PHE H H 83 8.025 8.025 8.240 -0.215 19221 6523 1 7 . 1 1 84 84 ASP N N 84 119.583 119.583 120.285 -0.702 19221 6524 1 7 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.586 -0.064 19221 6525 1 7 . 1 1 84 84 ASP C C 84 179.005 179.005 178.709 0.296 19221 6526 1 7 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.724 -0.064 19221 6527 1 7 . 1 1 84 84 ASP CB C 84 40.560 40.560 41.068 -0.507 19221 6528 1 7 . 1 1 84 84 ASP H H 84 8.464 8.464 8.415 0.049 19221 6529 1 7 . 1 1 85 85 LYS N N 85 122.200 122.200 119.862 2.338 19221 6530 1 7 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.141 -0.049 19221 6531 1 7 . 1 1 85 85 LYS C C 85 178.580 178.580 179.157 -0.577 19221 6532 1 7 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.726 -0.476 19221 6533 1 7 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.183 0.127 19221 6534 1 7 . 1 1 85 85 LYS H H 85 8.009 8.009 8.640 -0.631 19221 6535 1 7 . 1 1 86 86 PHE N N 86 118.590 118.590 121.454 -2.864 19221 6536 1 7 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.155 -0.319 19221 6537 1 7 . 1 1 86 86 PHE C C 86 175.649 175.649 176.704 -1.055 19221 6538 1 7 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.532 0.878 19221 6539 1 7 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.940 1.140 19221 6540 1 7 . 1 1 86 86 PHE H H 86 8.331 8.331 8.536 -0.205 19221 6541 1 7 . 1 1 87 87 ASP N N 87 117.790 117.790 119.577 -1.787 19221 6542 1 7 . 1 1 87 87 ASP HA H 87 4.198 4.198 3.906 0.292 19221 6543 1 7 . 1 1 87 87 ASP C C 87 178.542 178.542 178.276 0.266 19221 6544 1 7 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.756 0.084 19221 6545 1 7 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.702 1.188 19221 6546 1 7 . 1 1 87 87 ASP H H 87 8.560 8.560 8.831 -0.271 19221 6547 1 7 . 1 1 88 88 SER N N 88 112.940 112.940 115.626 -2.686 19221 6548 1 7 . 1 1 88 88 SER HA H 88 4.153 4.153 4.267 -0.114 19221 6549 1 7 . 1 1 88 88 SER C C 88 176.823 176.823 175.875 0.948 19221 6550 1 7 . 1 1 88 88 SER CA C 88 61.590 61.590 61.907 -0.318 19221 6551 1 7 . 1 1 88 88 SER CB C 88 63.085 63.085 63.206 -0.121 19221 6552 1 7 . 1 1 88 88 SER H H 88 7.757 7.757 8.172 -0.415 19221 6553 1 7 . 1 1 89 89 LEU N N 89 121.710 121.710 121.803 -0.093 19221 6554 1 7 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.215 -0.047 19221 6555 1 7 . 1 1 89 89 LEU C C 89 180.006 180.006 177.990 2.016 19221 6556 1 7 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.728 0.102 19221 6557 1 7 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.088 1.292 19221 6558 1 7 . 1 1 89 89 LEU H H 89 8.173 8.173 7.412 0.761 19221 6559 1 7 . 1 1 90 90 ILE N N 90 119.830 119.830 120.880 -1.050 19221 6560 1 7 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.495 0.050 19221 6561 1 7 . 1 1 90 90 ILE C C 90 177.083 177.083 178.580 -1.497 19221 6562 1 7 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.613 -1.703 19221 6563 1 7 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.497 -0.417 19221 6564 1 7 . 1 1 90 90 ILE H H 90 8.424 8.424 8.508 -0.084 19221 6565 1 7 . 1 1 91 91 LYS N N 91 117.980 117.980 117.725 0.255 19221 6566 1 7 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.964 -0.063 19221 6567 1 7 . 1 1 91 91 LYS C C 91 178.803 178.803 177.928 0.875 19221 6568 1 7 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.133 0.377 19221 6569 1 7 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.336 0.424 19221 6570 1 7 . 1 1 91 91 LYS H H 91 7.569 7.569 8.238 -0.669 19221 6571 1 7 . 1 1 92 92 VAL N N 92 115.450 115.450 117.726 -2.276 19221 6572 1 7 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.051 -0.123 19221 6573 1 7 . 1 1 92 92 VAL C C 92 177.767 177.767 177.599 0.168 19221 6574 1 7 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.854 -0.304 19221 6575 1 7 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.718 0.072 19221 6576 1 7 . 1 1 92 92 VAL H H 92 7.432 7.432 7.751 -0.319 19221 6577 1 7 . 1 1 93 93 GLN N N 93 117.250 117.250 119.510 -2.260 19221 6578 1 7 . 1 1 93 93 GLN HA H 93 3.997 3.997 4.000 -0.003 19221 6579 1 7 . 1 1 93 93 GLN C C 93 178.756 178.756 178.959 -0.203 19221 6580 1 7 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.936 -0.376 19221 6581 1 7 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.363 0.307 19221 6582 1 7 . 1 1 93 93 GLN H H 93 8.127 8.127 8.651 -0.524 19221 6583 1 7 . 1 1 94 94 ILE N N 94 118.013 118.013 120.093 -2.080 19221 6584 1 7 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.801 -0.161 19221 6585 1 7 . 1 1 94 94 ILE C C 94 176.252 176.252 178.722 -2.470 19221 6586 1 7 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.389 1.591 19221 6587 1 7 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.882 0.248 19221 6588 1 7 . 1 1 94 94 ILE H H 94 8.390 8.390 7.524 0.866 19221 6589 1 7 . 1 1 95 95 SER N N 95 112.220 112.220 117.062 -4.842 19221 6590 1 7 . 1 1 95 95 SER HA H 95 4.158 4.158 4.132 0.026 19221 6591 1 7 . 1 1 95 95 SER C C 95 174.893 174.893 175.907 -1.014 19221 6592 1 7 . 1 1 95 95 SER CA C 95 59.890 59.890 61.019 -1.129 19221 6593 1 7 . 1 1 95 95 SER CB C 95 63.170 63.170 63.014 0.156 19221 6594 1 7 . 1 1 95 95 SER H H 95 7.227 7.227 8.186 -0.959 19221 6595 1 7 . 1 1 96 96 LYS N N 96 119.000 119.000 118.504 0.496 19221 6596 1 7 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.203 0.122 19221 6597 1 7 . 1 1 96 96 LYS C C 96 175.903 175.903 176.002 -0.099 19221 6598 1 7 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.975 -0.375 19221 6599 1 7 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.096 0.844 19221 6600 1 7 . 1 1 96 96 LYS H H 96 7.250 7.250 7.868 -0.618 19221 6601 1 7 . 1 1 97 97 ILE N N 97 120.530 120.530 120.694 -0.164 19221 6602 1 7 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.580 0.019 19221 6603 1 7 . 1 1 97 97 ILE C C 97 173.784 173.784 174.225 -0.441 19221 6604 1 7 . 1 1 97 97 ILE CA C 97 57.412 57.412 58.022 -0.610 19221 6605 1 7 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.463 -2.903 19221 6606 1 7 . 1 1 97 97 ILE H H 97 7.713 7.713 7.438 0.275 19221 6607 1 7 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.291 0.002 19221 6608 1 7 . 1 1 98 98 PRO C C 98 178.885 178.885 178.264 0.621 19221 6609 1 7 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.823 0.497 19221 6610 1 7 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.120 0.150 19221 6611 1 7 . 1 1 99 99 ILE N N 99 115.600 115.600 119.054 -3.454 19221 6612 1 7 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.911 0.381 19221 6613 1 7 . 1 1 99 99 ILE C C 99 177.025 177.025 177.661 -0.636 19221 6614 1 7 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.678 -0.898 19221 6615 1 7 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.953 0.127 19221 6616 1 7 . 1 1 99 99 ILE H H 99 8.552 8.552 7.844 0.708 19221 6617 1 7 . 1 1 100 100 LEU N N 100 119.430 119.430 120.082 -0.652 19221 6618 1 7 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.093 0.130 19221 6619 1 7 . 1 1 100 100 LEU C C 100 178.223 178.223 178.284 -0.061 19221 6620 1 7 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.373 -0.263 19221 6621 1 7 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.449 0.771 19221 6622 1 7 . 1 1 100 100 LEU H H 100 7.404 7.404 7.615 -0.211 19221 6623 1 7 . 1 1 101 101 ALA N N 101 121.390 121.390 118.993 2.397 19221 6624 1 7 . 1 1 101 101 ALA HA H 101 3.917 3.917 4.083 -0.166 19221 6625 1 7 . 1 1 101 101 ALA C C 101 181.827 181.827 180.502 1.325 19221 6626 1 7 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.507 0.903 19221 6627 1 7 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.849 -0.899 19221 6628 1 7 . 1 1 101 101 ALA H H 101 7.839 7.839 7.967 -0.128 19221 6629 1 7 . 1 1 102 102 GLN N N 102 115.470 115.470 117.443 -1.973 19221 6630 1 7 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.071 0.006 19221 6631 1 7 . 1 1 102 102 GLN C C 102 176.572 176.572 177.767 -1.195 19221 6632 1 7 . 1 1 102 102 GLN CA C 102 57.580 57.580 58.375 -0.795 19221 6633 1 7 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.218 -0.588 19221 6634 1 7 . 1 1 102 102 GLN H H 102 8.276 8.276 7.761 0.515 19221 6635 1 7 . 1 1 103 103 HIS N N 103 115.980 115.980 115.340 0.640 19221 6636 1 7 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.948 0.176 19221 6637 1 7 . 1 1 103 103 HIS C C 103 175.326 175.326 175.236 0.090 19221 6638 1 7 . 1 1 103 103 HIS CA C 103 56.350 56.350 55.155 1.195 19221 6639 1 7 . 1 1 103 103 HIS CB C 103 30.990 30.990 28.955 2.035 19221 6640 1 7 . 1 1 103 103 HIS H H 103 7.450 7.450 7.869 -0.419 19221 6641 1 7 . 1 1 104 104 GLU N N 104 122.920 122.920 121.432 1.488 19221 6642 1 7 . 1 1 104 104 GLU HA H 104 3.813 3.813 4.056 -0.243 19221 6643 1 7 . 1 1 104 104 GLU C C 104 177.960 177.960 177.975 -0.015 19221 6644 1 7 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.435 1.075 19221 6645 1 7 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.505 -0.005 19221 6646 1 7 . 1 1 104 104 GLU H H 104 7.332 7.332 7.660 -0.328 19221 6647 1 7 . 1 1 105 105 SER N N 105 113.180 113.180 114.747 -1.567 19221 6648 1 7 . 1 1 105 105 SER HA H 105 4.234 4.234 4.299 -0.065 19221 6649 1 7 . 1 1 105 105 SER C C 105 177.512 177.512 176.894 0.618 19221 6650 1 7 . 1 1 105 105 SER CA C 105 62.100 62.100 61.125 0.975 19221 6651 1 7 . 1 1 105 105 SER CB C 105 62.100 62.100 62.748 -0.648 19221 6652 1 7 . 1 1 105 105 SER H H 105 8.931 8.931 8.546 0.385 19221 6653 1 7 . 1 1 106 106 PHE N N 106 123.770 123.770 124.407 -0.637 19221 6654 1 7 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.369 0.058 19221 6655 1 7 . 1 1 106 106 PHE C C 106 178.007 178.007 177.606 0.401 19221 6656 1 7 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.246 0.144 19221 6657 1 7 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.372 -0.242 19221 6658 1 7 . 1 1 106 106 PHE H H 106 8.040 8.040 7.419 0.621 19221 6659 1 7 . 1 1 107 107 LEU N N 107 121.397 121.397 120.819 0.578 19221 6660 1 7 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.147 -0.141 19221 6661 1 7 . 1 1 107 107 LEU C C 107 178.165 178.165 179.457 -1.292 19221 6662 1 7 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.653 -0.373 19221 6663 1 7 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.413 0.756 19221 6664 1 7 . 1 1 107 107 LEU H H 107 8.481 8.481 8.885 -0.404 19221 6665 1 7 . 1 1 108 108 ARG N N 108 117.450 117.450 118.469 -1.019 19221 6666 1 7 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.080 0.059 19221 6667 1 7 . 1 1 108 108 ARG C C 108 178.343 178.343 178.379 -0.036 19221 6668 1 7 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.843 -0.263 19221 6669 1 7 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.862 -0.692 19221 6670 1 7 . 1 1 108 108 ARG H H 108 8.480 8.480 8.759 -0.279 19221 6671 1 7 . 1 1 109 109 GLN N N 109 119.098 119.098 119.699 -0.601 19221 6672 1 7 . 1 1 109 109 GLN HA H 109 4.075 4.075 3.957 0.118 19221 6673 1 7 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.385 -0.090 19221 6674 1 7 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.469 1.039 19221 6675 1 7 . 1 1 109 109 GLN H H 109 7.886 7.886 8.227 -0.341 19221 6676 1 7 . 1 1 110 110 LYS N N 110 121.110 121.110 120.424 0.686 19221 6677 1 7 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.051 -0.063 19221 6678 1 7 . 1 1 110 110 LYS C C 110 178.368 178.368 178.731 -0.363 19221 6679 1 7 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.770 2.780 19221 6680 1 7 . 1 1 110 110 LYS CB C 110 30.260 30.260 32.164 -1.904 19221 6681 1 7 . 1 1 110 110 LYS H H 110 8.356 8.356 8.214 0.142 19221 6682 1 7 . 1 1 111 111 ILE N N 111 116.870 116.870 120.585 -3.715 19221 6683 1 7 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.752 0.146 19221 6684 1 7 . 1 1 111 111 ILE C C 111 178.036 178.036 177.261 0.775 19221 6685 1 7 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.888 0.213 19221 6686 1 7 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.572 -0.656 19221 6687 1 7 . 1 1 111 111 ILE H H 111 7.848 7.848 8.038 -0.190 19221 6688 1 7 . 1 1 112 112 CYS N N 112 123.990 123.990 118.548 5.442 19221 6689 1 7 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.087 -0.006 19221 6690 1 7 . 1 1 112 112 CYS C C 112 176.276 176.276 176.869 -0.593 19221 6691 1 7 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.727 1.673 19221 6692 1 7 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.522 -0.152 19221 6693 1 7 . 1 1 112 112 CYS H H 112 7.473 7.473 7.185 0.288 19221 6694 1 7 . 1 1 113 113 LEU N N 113 120.218 120.218 121.068 -0.850 19221 6695 1 7 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.698 0.145 19221 6696 1 7 . 1 1 113 113 LEU C C 113 178.584 178.584 178.946 -0.362 19221 6697 1 7 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.505 0.015 19221 6698 1 7 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.679 0.871 19221 6699 1 7 . 1 1 113 113 LEU H H 113 8.443 8.443 8.560 -0.117 19221 6700 1 7 . 1 1 114 114 MET N N 114 116.910 116.910 116.531 0.379 19221 6701 1 7 . 1 1 114 114 MET HA H 114 3.952 3.952 4.039 -0.087 19221 6702 1 7 . 1 1 114 114 MET C C 114 178.724 178.724 178.628 0.096 19221 6703 1 7 . 1 1 114 114 MET CA C 114 60.070 60.070 59.426 0.644 19221 6704 1 7 . 1 1 114 114 MET CB C 114 32.910 32.910 32.322 0.588 19221 6705 1 7 . 1 1 114 114 MET H H 114 8.840 8.840 8.264 0.576 19221 6706 1 7 . 1 1 115 115 THR N N 115 115.670 115.670 117.295 -1.625 19221 6707 1 7 . 1 1 115 115 THR HA H 115 4.083 4.083 3.956 0.127 19221 6708 1 7 . 1 1 115 115 THR C C 115 177.434 177.434 176.496 0.938 19221 6709 1 7 . 1 1 115 115 THR CA C 115 66.740 66.740 67.542 -0.802 19221 6710 1 7 . 1 1 115 115 THR CB C 115 68.630 68.630 68.369 0.261 19221 6711 1 7 . 1 1 115 115 THR H H 115 8.095 8.095 8.469 -0.374 19221 6712 1 7 . 1 1 116 116 LEU N N 116 125.420 125.420 123.524 1.896 19221 6713 1 7 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.020 -0.165 19221 6714 1 7 . 1 1 116 116 LEU C C 116 176.903 176.903 177.908 -1.005 19221 6715 1 7 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.028 0.908 19221 6716 1 7 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.191 0.485 19221 6717 1 7 . 1 1 116 116 LEU H H 116 8.164 8.164 7.704 0.460 19221 6718 1 7 . 1 1 117 117 ILE N N 117 114.740 114.740 119.976 -5.236 19221 6719 1 7 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.405 0.214 19221 6720 1 7 . 1 1 117 117 ILE C C 117 177.806 177.806 178.219 -0.413 19221 6721 1 7 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.794 -1.204 19221 6722 1 7 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.417 -1.058 19221 6723 1 7 . 1 1 117 117 ILE H H 117 8.032 8.032 8.175 -0.143 19221 6724 1 7 . 1 1 118 118 GLU N N 118 121.200 121.200 119.658 1.542 19221 6725 1 7 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.275 -0.075 19221 6726 1 7 . 1 1 118 118 GLU C C 118 178.314 178.314 179.494 -1.180 19221 6727 1 7 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.340 0.640 19221 6728 1 7 . 1 1 118 118 GLU CB C 118 29.380 29.380 28.993 0.387 19221 6729 1 7 . 1 1 118 118 GLU H H 118 8.176 8.176 8.616 -0.440 19221 6730 1 7 . 1 1 119 119 THR N N 119 114.460 114.460 117.201 -2.741 19221 6731 1 7 . 1 1 119 119 THR HA H 119 3.917 3.917 4.043 -0.126 19221 6732 1 7 . 1 1 119 119 THR C C 119 175.551 175.551 177.128 -1.577 19221 6733 1 7 . 1 1 119 119 THR CA C 119 67.470 67.470 66.618 0.852 19221 6734 1 7 . 1 1 119 119 THR CB C 119 69.110 69.110 68.408 0.702 19221 6735 1 7 . 1 1 119 119 THR H H 119 8.008 8.008 8.324 -0.316 19221 6736 1 7 . 1 1 120 120 VAL N N 120 118.050 118.050 121.132 -3.082 19221 6737 1 7 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.734 -0.114 19221 6738 1 7 . 1 1 120 120 VAL C C 120 178.213 178.213 177.679 0.534 19221 6739 1 7 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.262 -0.242 19221 6740 1 7 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.218 0.612 19221 6741 1 7 . 1 1 120 120 VAL H H 120 7.800 7.800 8.163 -0.363 19221 6742 1 7 . 1 1 121 121 PHE N N 121 118.360 118.360 121.500 -3.140 19221 6743 1 7 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.220 -0.000 19221 6744 1 7 . 1 1 121 121 PHE C C 121 178.739 178.739 177.873 0.866 19221 6745 1 7 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.308 0.232 19221 6746 1 7 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.142 0.988 19221 6747 1 7 . 1 1 121 121 PHE H H 121 8.370 8.370 8.325 0.045 19221 6748 1 7 . 1 1 122 122 VAL N N 122 118.710 118.710 116.456 2.254 19221 6749 1 7 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.315 0.310 19221 6750 1 7 . 1 1 122 122 VAL C C 122 178.247 178.247 176.998 1.249 19221 6751 1 7 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.397 0.453 19221 6752 1 7 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.568 0.313 19221 6753 1 7 . 1 1 122 122 VAL H H 122 8.959 8.959 8.658 0.301 19221 6754 1 7 . 1 1 123 123 LYS N N 123 115.960 115.960 117.341 -1.381 19221 6755 1 7 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.262 0.054 19221 6756 1 7 . 1 1 123 123 LYS C C 123 176.148 176.148 175.707 0.441 19221 6757 1 7 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.460 1.070 19221 6758 1 7 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.072 -0.042 19221 6759 1 7 . 1 1 123 123 LYS H H 123 7.688 7.688 7.570 0.118 19221 6760 1 7 . 1 1 124 124 ASN N N 124 117.440 117.440 117.326 0.114 19221 6761 1 7 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.401 -0.057 19221 6762 1 7 . 1 1 124 124 ASN C C 124 174.205 174.205 174.532 -0.327 19221 6763 1 7 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.853 0.067 19221 6764 1 7 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.424 -0.354 19221 6765 1 7 . 1 1 124 124 ASN H H 124 7.560 7.560 7.703 -0.143 19221 6766 1 7 . 1 1 125 125 ILE N N 125 116.780 116.780 117.931 -1.151 19221 6767 1 7 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.089 0.021 19221 6768 1 7 . 1 1 125 125 ILE C C 125 175.909 175.909 175.407 0.502 19221 6769 1 7 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.665 -0.095 19221 6770 1 7 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.357 1.613 19221 6771 1 7 . 1 1 125 125 ILE H H 125 7.658 7.658 7.769 -0.111 19221 6772 1 7 . 1 1 126 126 ARG N N 126 122.400 122.400 122.064 0.336 19221 6773 1 7 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.504 0.127 19221 6774 1 7 . 1 1 126 126 ARG C C 126 175.296 175.296 175.158 0.138 19221 6775 1 7 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.474 -0.264 19221 6776 1 7 . 1 1 126 126 ARG CB C 126 31.217 31.217 32.082 -0.865 19221 6777 1 7 . 1 1 126 126 ARG H H 126 8.658 8.658 8.555 0.103 19221 6778 1 7 . 1 1 127 127 MET N N 127 119.870 119.870 119.635 0.235 19221 6779 1 7 . 1 1 127 127 MET HA H 127 5.412 5.412 5.246 0.166 19221 6780 1 7 . 1 1 127 127 MET C C 127 174.169 174.169 173.992 0.177 19221 6781 1 7 . 1 1 127 127 MET CA C 127 55.130 55.130 54.403 0.727 19221 6782 1 7 . 1 1 127 127 MET CB C 127 35.300 35.300 35.540 -0.240 19221 6783 1 7 . 1 1 127 127 MET H H 127 7.487 7.487 7.726 -0.239 19221 6784 1 7 . 1 1 128 128 LEU N N 128 124.940 124.940 123.902 1.038 19221 6785 1 7 . 1 1 128 128 LEU HA H 128 4.890 4.890 5.037 -0.147 19221 6786 1 7 . 1 1 128 128 LEU C C 128 174.857 174.857 175.042 -0.185 19221 6787 1 7 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.303 0.867 19221 6788 1 7 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.156 -1.066 19221 6789 1 7 . 1 1 128 128 LEU H H 128 8.961 8.961 8.968 -0.007 19221 6790 1 7 . 1 1 129 129 SER N N 129 119.080 119.080 114.106 4.974 19221 6791 1 7 . 1 1 129 129 SER HA H 129 5.503 5.503 5.220 0.283 19221 6792 1 7 . 1 1 129 129 SER C C 129 176.225 176.225 175.972 0.253 19221 6793 1 7 . 1 1 129 129 SER CA C 129 56.630 56.630 56.641 -0.011 19221 6794 1 7 . 1 1 129 129 SER CB C 129 66.030 66.030 65.454 0.576 19221 6795 1 7 . 1 1 129 129 SER H H 129 9.512 9.512 8.251 1.261 19221 6796 1 7 . 1 1 130 130 PHE N N 130 120.530 120.530 122.437 -1.907 19221 6797 1 7 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.139 0.301 19221 6798 1 7 . 1 1 130 130 PHE C C 130 179.046 179.046 177.817 1.229 19221 6799 1 7 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.886 -1.156 19221 6800 1 7 . 1 1 130 130 PHE CB C 130 36.520 36.520 37.883 -1.363 19221 6801 1 7 . 1 1 130 130 PHE H H 130 8.712 8.712 9.348 -0.636 19221 6802 1 7 . 1 1 131 131 GLU N N 131 121.180 121.180 120.266 0.914 19221 6803 1 7 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.840 0.185 19221 6804 1 7 . 1 1 131 131 GLU C C 131 178.039 178.039 178.096 -0.057 19221 6805 1 7 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.189 -0.319 19221 6806 1 7 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.391 0.079 19221 6807 1 7 . 1 1 131 131 GLU H H 131 8.961 8.961 8.618 0.343 19221 6808 1 7 . 1 1 132 132 ASP N N 132 120.930 120.930 119.733 1.197 19221 6809 1 7 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.455 -0.058 19221 6810 1 7 . 1 1 132 132 ASP C C 132 180.369 180.369 178.816 1.553 19221 6811 1 7 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.315 0.375 19221 6812 1 7 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.914 -0.174 19221 6813 1 7 . 1 1 132 132 ASP H H 132 8.369 8.369 7.818 0.551 19221 6814 1 7 . 1 1 133 133 ILE N N 133 120.360 120.360 119.362 0.998 19221 6815 1 7 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.638 -0.129 19221 6816 1 7 . 1 1 133 133 ILE C C 133 178.895 178.895 178.143 0.752 19221 6817 1 7 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.690 0.590 19221 6818 1 7 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.786 -0.256 19221 6819 1 7 . 1 1 133 133 ILE H H 133 8.062 8.062 8.151 -0.089 19221 6820 1 7 . 1 1 134 134 SER N N 134 120.050 120.050 116.880 3.170 19221 6821 1 7 . 1 1 134 134 SER HA H 134 4.074 4.074 4.211 -0.137 19221 6822 1 7 . 1 1 134 134 SER C C 134 176.934 176.934 176.162 0.772 19221 6823 1 7 . 1 1 134 134 SER CA C 134 61.240 61.240 61.645 -0.405 19221 6824 1 7 . 1 1 134 134 SER CB C 134 63.400 63.400 63.038 0.362 19221 6825 1 7 . 1 1 134 134 SER H H 134 8.823 8.823 8.439 0.384 19221 6826 1 7 . 1 1 135 135 LYS N N 135 119.060 119.060 121.177 -2.117 19221 6827 1 7 . 1 1 135 135 LYS HA H 135 3.930 3.930 4.026 -0.096 19221 6828 1 7 . 1 1 135 135 LYS C C 135 178.986 178.986 178.700 0.286 19221 6829 1 7 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.966 0.304 19221 6830 1 7 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.481 -0.011 19221 6831 1 7 . 1 1 135 135 LYS H H 135 8.258 8.258 7.936 0.322 19221 6832 1 7 . 1 1 136 136 ALA N N 136 118.350 118.350 118.789 -0.439 19221 6833 1 7 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.460 -0.258 19221 6834 1 7 . 1 1 136 136 ALA C C 136 178.653 178.653 176.997 1.656 19221 6835 1 7 . 1 1 136 136 ALA CA C 136 54.480 54.480 53.492 0.988 19221 6836 1 7 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.076 -0.235 19221 6837 1 7 . 1 1 136 136 ALA H H 136 7.538 7.538 7.896 -0.358 19221 6838 1 7 . 1 1 137 137 THR N N 137 101.770 101.770 107.905 -6.135 19221 6839 1 7 . 1 1 137 137 THR HA H 137 4.274 4.274 4.349 -0.075 19221 6840 1 7 . 1 1 137 137 THR C C 137 172.932 172.932 174.401 -1.469 19221 6841 1 7 . 1 1 137 137 THR CA C 137 61.990 61.990 61.506 0.484 19221 6842 1 7 . 1 1 137 137 THR CB C 137 71.200 71.200 71.419 -0.219 19221 6843 1 7 . 1 1 137 137 THR H H 137 7.777 7.777 7.394 0.383 19221 6844 1 7 . 1 1 138 138 HIS N N 138 113.660 113.660 116.271 -2.611 19221 6845 1 7 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.196 -0.237 19221 6846 1 7 . 1 1 138 138 HIS C C 138 173.700 173.700 174.588 -0.888 19221 6847 1 7 . 1 1 138 138 HIS CA C 138 56.330 56.330 56.796 -0.466 19221 6848 1 7 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.048 -1.638 19221 6849 1 7 . 1 1 138 138 HIS H H 138 7.567 7.567 8.364 -0.797 19221 6850 1 7 . 1 1 139 139 LEU N N 139 120.070 120.070 120.930 -0.860 19221 6851 1 7 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.675 0.168 19221 6852 1 7 . 1 1 139 139 LEU C C 139 174.376 174.376 175.988 -1.612 19221 6853 1 7 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.282 -0.412 19221 6854 1 7 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.010 2.740 19221 6855 1 7 . 1 1 139 139 LEU H H 139 7.513 7.513 7.498 0.015 19221 6856 1 7 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.602 -0.211 19221 6857 1 7 . 1 1 140 140 PRO C C 140 177.985 177.985 178.150 -0.165 19221 6858 1 7 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.589 -0.199 19221 6859 1 7 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.495 -0.425 19221 6860 1 7 . 1 1 141 141 LYS N N 141 123.930 123.930 121.194 2.736 19221 6861 1 7 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.929 -0.110 19221 6862 1 7 . 1 1 141 141 LYS C C 141 178.083 178.083 177.521 0.562 19221 6863 1 7 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.089 0.741 19221 6864 1 7 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.173 -0.283 19221 6865 1 7 . 1 1 141 141 LYS H H 141 8.950 8.950 8.787 0.163 19221 6866 1 7 . 1 1 142 142 ASP N N 142 114.510 114.510 115.022 -0.512 19221 6867 1 7 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.578 -0.083 19221 6868 1 7 . 1 1 142 142 ASP C C 142 176.656 176.656 176.635 0.021 19221 6869 1 7 . 1 1 142 142 ASP CA C 142 55.590 55.590 55.735 -0.145 19221 6870 1 7 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.881 -1.141 19221 6871 1 7 . 1 1 142 142 ASP H H 142 8.491 8.491 8.170 0.321 19221 6872 1 7 . 1 1 143 143 ASN N N 143 116.400 116.400 115.741 0.659 19221 6873 1 7 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.861 0.205 19221 6874 1 7 . 1 1 143 143 ASN C C 143 175.954 175.954 176.308 -0.354 19221 6875 1 7 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.152 0.068 19221 6876 1 7 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.087 0.863 19221 6877 1 7 . 1 1 143 143 ASN H H 143 8.191 8.191 7.940 0.251 19221 6878 1 7 . 1 1 144 144 VAL N N 144 120.490 120.490 122.443 -1.953 19221 6879 1 7 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.639 -0.316 19221 6880 1 7 . 1 1 144 144 VAL C C 144 176.423 176.423 175.864 0.559 19221 6881 1 7 . 1 1 144 144 VAL CA C 144 66.990 66.990 65.457 1.533 19221 6882 1 7 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.491 -0.051 19221 6883 1 7 . 1 1 144 144 VAL H H 144 7.472 7.472 7.997 -0.525 19221 6884 1 7 . 1 1 145 145 GLU N N 145 122.340 122.340 118.589 3.751 19221 6885 1 7 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.687 -0.426 19221 6886 1 7 . 1 1 145 145 GLU C C 145 177.853 177.853 178.322 -0.469 19221 6887 1 7 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.168 1.662 19221 6888 1 7 . 1 1 145 145 GLU CB C 145 28.810 28.810 27.929 0.881 19221 6889 1 7 . 1 1 145 145 GLU H H 145 9.141 9.141 8.412 0.729 19221 6890 1 7 . 1 1 146 146 HIS N N 146 116.970 116.970 119.185 -2.215 19221 6891 1 7 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.327 -0.153 19221 6892 1 7 . 1 1 146 146 HIS C C 146 177.947 177.947 177.736 0.211 19221 6893 1 7 . 1 1 146 146 HIS CA C 146 59.540 59.540 59.223 0.317 19221 6894 1 7 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.846 0.604 19221 6895 1 7 . 1 1 146 146 HIS H H 146 8.162 8.162 7.831 0.331 19221 6896 1 7 . 1 1 147 147 LEU N N 147 120.670 120.670 120.466 0.204 19221 6897 1 7 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.132 -0.172 19221 6898 1 7 . 1 1 147 147 LEU C C 147 178.427 178.427 178.635 -0.208 19221 6899 1 7 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.910 0.360 19221 6900 1 7 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.529 0.207 19221 6901 1 7 . 1 1 147 147 LEU H H 147 7.336 7.336 7.594 -0.258 19221 6902 1 7 . 1 1 148 148 VAL N N 148 118.060 118.060 116.387 1.673 19221 6903 1 7 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.688 -0.465 19221 6904 1 7 . 1 1 148 148 VAL C C 148 177.801 177.801 178.178 -0.377 19221 6905 1 7 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.587 1.374 19221 6906 1 7 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.672 0.338 19221 6907 1 7 . 1 1 148 148 VAL H H 148 8.172 8.172 7.399 0.773 19221 6908 1 7 . 1 1 149 149 MET N N 149 117.770 117.770 120.161 -2.391 19221 6909 1 7 . 1 1 149 149 MET HA H 149 4.123 4.123 3.987 0.136 19221 6910 1 7 . 1 1 149 149 MET C C 149 179.823 179.823 178.419 1.404 19221 6911 1 7 . 1 1 149 149 MET CA C 149 58.630 58.630 59.537 -0.907 19221 6912 1 7 . 1 1 149 149 MET CB C 149 31.496 31.496 31.905 -0.409 19221 6913 1 7 . 1 1 149 149 MET H H 149 8.585 8.585 8.587 -0.002 19221 6914 1 7 . 1 1 150 150 ARG N N 150 121.900 121.900 119.215 2.685 19221 6915 1 7 . 1 1 150 150 ARG HA H 150 4.094 4.094 3.964 0.130 19221 6916 1 7 . 1 1 150 150 ARG C C 150 177.928 177.928 178.323 -0.395 19221 6917 1 7 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.234 -1.084 19221 6918 1 7 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.742 -0.992 19221 6919 1 7 . 1 1 150 150 ARG H H 150 8.160 8.160 8.105 0.055 19221 6920 1 7 . 1 1 151 151 ALA N N 151 121.710 121.710 122.197 -0.487 19221 6921 1 7 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.931 -0.133 19221 6922 1 7 . 1 1 151 151 ALA C C 151 179.518 179.518 179.429 0.089 19221 6923 1 7 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.107 0.633 19221 6924 1 7 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.300 -0.410 19221 6925 1 7 . 1 1 151 151 ALA H H 151 8.165 8.165 7.678 0.487 19221 6926 1 7 . 1 1 152 152 ILE N N 152 118.590 118.590 118.488 0.102 19221 6927 1 7 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.734 0.648 19221 6928 1 7 . 1 1 152 152 ILE C C 152 181.439 181.439 179.279 2.160 19221 6929 1 7 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.870 -0.310 19221 6930 1 7 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.972 0.728 19221 6931 1 7 . 1 1 152 152 ILE H H 152 8.331 8.331 8.098 0.233 19221 6932 1 7 . 1 1 153 153 SER N N 153 120.250 120.250 116.086 4.164 19221 6933 1 7 . 1 1 153 153 SER HA H 153 4.279 4.279 4.172 0.107 19221 6934 1 7 . 1 1 153 153 SER C C 153 176.745 176.745 176.369 0.376 19221 6935 1 7 . 1 1 153 153 SER CA C 153 62.040 62.040 60.934 1.106 19221 6936 1 7 . 1 1 153 153 SER CB C 153 62.930 62.930 63.223 -0.293 19221 6937 1 7 . 1 1 153 153 SER H H 153 8.756 8.756 8.149 0.607 19221 6938 1 7 . 1 1 154 154 LEU N N 154 119.480 119.480 118.603 0.877 19221 6939 1 7 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.144 0.201 19221 6940 1 7 . 1 1 154 154 LEU C C 154 177.351 177.351 177.346 0.005 19221 6941 1 7 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.601 -0.146 19221 6942 1 7 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.987 2.013 19221 6943 1 7 . 1 1 154 154 LEU H H 154 8.129 8.129 7.921 0.208 19221 6944 1 7 . 1 1 155 155 GLY N N 155 106.990 106.990 106.135 0.855 19221 6945 1 7 . 1 1 155 155 GLY C C 155 174.867 174.867 175.154 -0.287 19221 6946 1 7 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.145 -0.345 19221 6947 1 7 . 1 1 155 155 GLY H H 155 8.023 8.023 7.749 0.274 19221 6948 1 7 . 1 1 156 156 LEU N N 156 116.510 116.510 117.753 -1.243 19221 6949 1 7 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.209 0.051 19221 6950 1 7 . 1 1 156 156 LEU C C 156 175.387 175.387 176.075 -0.688 19221 6951 1 7 . 1 1 156 156 LEU CA C 156 55.930 55.930 55.799 0.131 19221 6952 1 7 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.231 0.989 19221 6953 1 7 . 1 1 156 156 LEU H H 156 8.101 8.101 7.451 0.650 19221 6954 1 7 . 1 1 157 157 LEU N N 157 112.790 112.790 111.254 1.536 19221 6955 1 7 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.205 -0.205 19221 6956 1 7 . 1 1 157 157 LEU C C 157 175.382 175.382 174.990 0.392 19221 6957 1 7 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.449 0.191 19221 6958 1 7 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.640 0.920 19221 6959 1 7 . 1 1 157 157 LEU H H 157 7.194 7.194 7.305 -0.111 19221 6960 1 7 . 1 1 158 158 LYS N N 158 121.010 121.010 119.841 1.169 19221 6961 1 7 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.778 0.017 19221 6962 1 7 . 1 1 158 158 LYS C C 158 175.461 175.461 175.461 0.000 19221 6963 1 7 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.745 0.315 19221 6964 1 7 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.786 1.404 19221 6965 1 7 . 1 1 158 158 LYS H H 158 9.056 9.056 8.690 0.366 19221 6966 1 7 . 1 1 159 159 GLY N N 159 109.800 109.800 111.122 -1.322 19221 6967 1 7 . 1 1 159 159 GLY C C 159 170.992 170.992 173.001 -2.009 19221 6968 1 7 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.024 1.116 19221 6969 1 7 . 1 1 159 159 GLY H H 159 8.287 8.287 8.095 0.192 19221 6970 1 7 . 1 1 160 160 SER N N 160 112.940 112.940 114.771 -1.831 19221 6971 1 7 . 1 1 160 160 SER HA H 160 4.780 4.780 4.727 0.053 19221 6972 1 7 . 1 1 160 160 SER C C 160 172.525 172.525 173.308 -0.783 19221 6973 1 7 . 1 1 160 160 SER CA C 160 56.840 56.840 57.478 -0.638 19221 6974 1 7 . 1 1 160 160 SER CB C 160 65.660 65.660 66.005 -0.345 19221 6975 1 7 . 1 1 160 160 SER H H 160 8.847 8.847 8.817 0.030 19221 6976 1 7 . 1 1 161 161 ILE N N 161 123.020 123.020 123.712 -0.692 19221 6977 1 7 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.316 0.090 19221 6978 1 7 . 1 1 161 161 ILE C C 161 174.457 174.457 176.131 -1.674 19221 6979 1 7 . 1 1 161 161 ILE CA C 161 61.419 61.419 60.924 0.495 19221 6980 1 7 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.769 1.459 19221 6981 1 7 . 1 1 161 161 ILE H H 161 8.867 8.867 8.630 0.237 19221 6982 1 7 . 1 1 162 162 ASP N N 162 128.130 128.130 127.918 0.212 19221 6983 1 7 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.852 0.064 19221 6984 1 7 . 1 1 162 162 ASP C C 162 176.575 176.575 176.273 0.302 19221 6985 1 7 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.683 -0.943 19221 6986 1 7 . 1 1 162 162 ASP CB C 162 41.140 41.140 41.248 -0.108 19221 6987 1 7 . 1 1 162 162 ASP H H 162 8.955 8.955 8.629 0.326 19221 6988 1 7 . 1 1 163 163 GLN N N 163 123.480 123.480 124.041 -0.561 19221 6989 1 7 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.167 -0.314 19221 6990 1 7 . 1 1 163 163 GLN C C 163 177.627 177.627 177.434 0.193 19221 6991 1 7 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.818 0.392 19221 6992 1 7 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.807 0.113 19221 6993 1 7 . 1 1 163 163 GLN H H 163 8.982 8.982 8.823 0.159 19221 6994 1 7 . 1 1 164 164 VAL N N 164 119.220 119.220 118.903 0.317 19221 6995 1 7 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.735 -0.052 19221 6996 1 7 . 1 1 164 164 VAL C C 164 177.519 177.519 177.632 -0.113 19221 6997 1 7 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.780 0.990 19221 6998 1 7 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.599 0.331 19221 6999 1 7 . 1 1 164 164 VAL H H 164 7.974 7.974 7.883 0.091 19221 7000 1 7 . 1 1 165 165 ASN N N 165 114.430 114.430 114.405 0.025 19221 7001 1 7 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.705 -0.104 19221 7002 1 7 . 1 1 165 165 ASN C C 165 172.795 172.795 174.215 -1.420 19221 7003 1 7 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.327 -0.427 19221 7004 1 7 . 1 1 165 165 ASN CB C 165 38.830 38.830 38.999 -0.169 19221 7005 1 7 . 1 1 165 165 ASN H H 165 7.502 7.502 8.158 -0.656 19221 7006 1 7 . 1 1 166 166 GLU N N 166 116.970 116.970 115.044 1.926 19221 7007 1 7 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.586 -0.572 19221 7008 1 7 . 1 1 166 166 GLU C C 166 174.562 174.562 173.776 0.786 19221 7009 1 7 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.544 -0.316 19221 7010 1 7 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.846 -0.030 19221 7011 1 7 . 1 1 166 166 GLU H H 166 7.268 7.268 7.314 -0.046 19221 7012 1 7 . 1 1 167 167 LEU N N 167 117.360 117.360 115.569 1.791 19221 7013 1 7 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.156 -0.158 19221 7014 1 7 . 1 1 167 167 LEU C C 167 175.659 175.659 175.512 0.147 19221 7015 1 7 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.013 0.657 19221 7016 1 7 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.364 0.946 19221 7017 1 7 . 1 1 167 167 LEU H H 167 7.699 7.699 7.813 -0.114 19221 7018 1 7 . 1 1 168 168 VAL N N 168 125.350 125.350 117.795 7.555 19221 7019 1 7 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.928 -0.089 19221 7020 1 7 . 1 1 168 168 VAL C C 168 174.792 174.792 175.086 -0.294 19221 7021 1 7 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.736 0.394 19221 7022 1 7 . 1 1 168 168 VAL CB C 168 34.349 34.349 35.853 -1.504 19221 7023 1 7 . 1 1 168 168 VAL H H 168 9.445 9.445 9.021 0.424 19221 7024 1 7 . 1 1 169 169 THR N N 169 123.020 123.020 121.964 1.056 19221 7025 1 7 . 1 1 169 169 THR HA H 169 4.869 4.869 5.106 -0.237 19221 7026 1 7 . 1 1 169 169 THR C C 169 173.876 173.876 173.357 0.519 19221 7027 1 7 . 1 1 169 169 THR CA C 169 61.580 61.580 61.513 0.067 19221 7028 1 7 . 1 1 169 169 THR CB C 169 69.750 69.750 70.373 -0.623 19221 7029 1 7 . 1 1 169 169 THR H H 169 8.824 8.824 9.047 -0.223 19221 7030 1 7 . 1 1 170 170 ILE N N 170 126.700 126.700 126.556 0.144 19221 7031 1 7 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.448 0.094 19221 7032 1 7 . 1 1 170 170 ILE C C 170 175.672 175.672 175.459 0.213 19221 7033 1 7 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.306 0.025 19221 7034 1 7 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.133 -0.523 19221 7035 1 7 . 1 1 170 170 ILE H H 170 8.911 8.911 8.597 0.314 19221 7036 1 7 . 1 1 171 171 SER N N 171 122.780 122.780 119.028 3.752 19221 7037 1 7 . 1 1 171 171 SER HA H 171 4.670 4.670 4.819 -0.149 19221 7038 1 7 . 1 1 171 171 SER C C 171 174.700 174.700 173.424 1.276 19221 7039 1 7 . 1 1 171 171 SER CA C 171 58.280 58.280 58.833 -0.553 19221 7040 1 7 . 1 1 171 171 SER CB C 171 64.560 64.560 66.073 -1.513 19221 7041 1 7 . 1 1 171 171 SER H H 171 9.242 9.242 9.194 0.048 19221 7042 1 7 . 1 1 172 172 TRP N N 172 123.970 123.970 121.198 2.772 19221 7043 1 7 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.805 -0.170 19221 7044 1 7 . 1 1 172 172 TRP C C 172 172.618 172.618 173.277 -0.659 19221 7045 1 7 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.041 0.869 19221 7046 1 7 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.366 -0.716 19221 7047 1 7 . 1 1 172 172 TRP H H 172 7.929 7.929 7.601 0.328 19221 7048 1 7 . 1 1 173 173 VAL N N 173 123.660 123.660 122.369 1.291 19221 7049 1 7 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.072 0.058 19221 7050 1 7 . 1 1 173 173 VAL C C 173 170.746 170.746 173.620 -2.874 19221 7051 1 7 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.666 -0.567 19221 7052 1 7 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.721 0.499 19221 7053 1 7 . 1 1 173 173 VAL H H 173 6.764 6.764 7.527 -0.763 19221 7054 1 7 . 1 1 174 174 GLN N N 174 126.430 126.430 123.463 2.967 19221 7055 1 7 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.613 -0.007 19221 7056 1 7 . 1 1 174 174 GLN C C 174 172.955 172.955 175.131 -2.176 19221 7057 1 7 . 1 1 174 174 GLN CA C 174 54.050 54.050 55.376 -1.326 19221 7058 1 7 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.533 1.227 19221 7059 1 7 . 1 1 174 174 GLN H H 174 7.071 7.071 7.838 -0.767 19221 7060 1 7 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.206 -0.345 19221 7061 1 7 . 1 1 175 175 PRO C C 175 175.955 175.955 176.945 -0.990 19221 7062 1 7 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.724 -0.974 19221 7063 1 7 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.377 1.023 19221 7064 1 8 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.058 0.082 19221 7065 1 8 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.716 -0.626 19221 7066 1 8 . 1 1 2 2 LYS CB C 2 32.930 32.930 31.066 1.864 19221 7067 1 8 . 1 1 4 4 ASP C C 4 176.140 176.140 175.805 0.335 19221 7068 1 8 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.080 2.450 19221 7069 1 8 . 1 1 4 4 ASP CB C 4 41.980 41.980 41.699 0.281 19221 7070 1 8 . 1 1 5 5 PHE N N 5 122.270 122.270 119.164 3.106 19221 7071 1 8 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.342 -0.163 19221 7072 1 8 . 1 1 5 5 PHE C C 5 177.706 177.706 177.146 0.560 19221 7073 1 8 . 1 1 5 5 PHE CA C 5 61.880 61.880 62.705 -0.825 19221 7074 1 8 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.178 -0.278 19221 7075 1 8 . 1 1 5 5 PHE H H 5 7.853 7.853 8.876 -1.023 19221 7076 1 8 . 1 1 6 6 ASN N N 6 114.920 114.920 117.883 -2.963 19221 7077 1 8 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.565 -0.164 19221 7078 1 8 . 1 1 6 6 ASN C C 6 176.990 176.990 177.625 -0.635 19221 7079 1 8 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.559 -0.089 19221 7080 1 8 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.358 0.865 19221 7081 1 8 . 1 1 6 6 ASN H H 6 8.051 8.051 8.838 -0.787 19221 7082 1 8 . 1 1 7 7 SER N N 7 112.970 112.970 117.575 -4.605 19221 7083 1 8 . 1 1 7 7 SER HA H 7 4.435 4.435 4.300 0.135 19221 7084 1 8 . 1 1 7 7 SER C C 7 177.780 177.780 176.486 1.294 19221 7085 1 8 . 1 1 7 7 SER CA C 7 61.440 61.440 62.756 -1.316 19221 7086 1 8 . 1 1 7 7 SER CB C 7 62.770 62.770 63.349 -0.579 19221 7087 1 8 . 1 1 7 7 SER H H 7 8.041 8.041 8.581 -0.540 19221 7088 1 8 . 1 1 8 8 PHE N N 8 123.560 123.560 123.855 -0.295 19221 7089 1 8 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.189 -0.122 19221 7090 1 8 . 1 1 8 8 PHE C C 8 177.959 177.959 177.139 0.820 19221 7091 1 8 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.106 1.004 19221 7092 1 8 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.042 -0.076 19221 7093 1 8 . 1 1 8 8 PHE H H 8 8.364 8.364 8.717 -0.353 19221 7094 1 8 . 1 1 9 9 TYR N N 9 122.550 122.550 121.515 1.035 19221 7095 1 8 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.908 0.092 19221 7096 1 8 . 1 1 9 9 TYR C C 9 176.360 176.360 176.741 -0.381 19221 7097 1 8 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.103 -0.093 19221 7098 1 8 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.111 0.089 19221 7099 1 8 . 1 1 9 9 TYR H H 9 8.230 8.230 9.019 -0.789 19221 7100 1 8 . 1 1 10 10 TYR N N 10 115.490 115.490 118.700 -3.210 19221 7101 1 8 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.803 0.303 19221 7102 1 8 . 1 1 10 10 TYR C C 10 180.280 180.280 177.597 2.683 19221 7103 1 8 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.539 0.980 19221 7104 1 8 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.757 -0.827 19221 7105 1 8 . 1 1 10 10 TYR H H 10 7.958 7.958 8.267 -0.309 19221 7106 1 8 . 1 1 11 11 THR N N 11 115.140 115.140 116.858 -1.718 19221 7107 1 8 . 1 1 11 11 THR HA H 11 3.934 3.934 3.654 0.280 19221 7108 1 8 . 1 1 11 11 THR CA C 11 66.560 66.560 67.034 -0.474 19221 7109 1 8 . 1 1 11 11 THR CB C 11 68.750 68.750 68.436 0.313 19221 7110 1 8 . 1 1 11 11 THR H H 11 8.806 8.806 8.520 0.286 19221 7111 1 8 . 1 1 12 12 SER N N 12 120.384 120.384 117.502 2.882 19221 7112 1 8 . 1 1 12 12 SER HA H 12 3.346 3.346 3.974 -0.628 19221 7113 1 8 . 1 1 12 12 SER C C 12 175.891 175.891 175.902 -0.011 19221 7114 1 8 . 1 1 12 12 SER CA C 12 62.740 62.740 62.013 0.727 19221 7115 1 8 . 1 1 12 12 SER CB C 12 62.580 62.580 62.853 -0.273 19221 7116 1 8 . 1 1 12 12 SER H H 12 8.151 8.151 8.040 0.111 19221 7117 1 8 . 1 1 13 13 LEU N N 13 121.640 121.640 120.856 0.784 19221 7118 1 8 . 1 1 13 13 LEU HA H 13 3.801 3.801 4.061 -0.260 19221 7119 1 8 . 1 1 13 13 LEU C C 13 180.374 180.374 177.990 2.384 19221 7120 1 8 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.247 1.103 19221 7121 1 8 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.637 -0.227 19221 7122 1 8 . 1 1 13 13 LEU H H 13 7.893 7.893 7.713 0.180 19221 7123 1 8 . 1 1 14 14 LEU N N 14 120.470 120.470 120.798 -0.328 19221 7124 1 8 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.753 0.408 19221 7125 1 8 . 1 1 14 14 LEU C C 14 179.880 179.880 178.608 1.272 19221 7126 1 8 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.545 0.455 19221 7127 1 8 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.215 0.334 19221 7128 1 8 . 1 1 14 14 LEU H H 14 7.528 7.528 8.089 -0.561 19221 7129 1 8 . 1 1 15 15 TYR N N 15 122.257 122.257 119.664 2.593 19221 7130 1 8 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.194 0.071 19221 7131 1 8 . 1 1 15 15 TYR C C 15 177.033 177.033 177.158 -0.125 19221 7132 1 8 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.288 0.442 19221 7133 1 8 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.132 -0.032 19221 7134 1 8 . 1 1 15 15 TYR H H 15 8.135 8.135 8.133 0.002 19221 7135 1 8 . 1 1 16 16 LEU N N 16 118.440 118.440 118.484 -0.044 19221 7136 1 8 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.788 0.017 19221 7137 1 8 . 1 1 16 16 LEU C C 16 179.055 179.055 178.454 0.601 19221 7138 1 8 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.200 0.013 19221 7139 1 8 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.626 0.439 19221 7140 1 8 . 1 1 16 16 LEU H H 16 8.452 8.452 7.735 0.717 19221 7141 1 8 . 1 1 17 17 SER N N 17 114.450 114.450 113.207 1.243 19221 7142 1 8 . 1 1 17 17 SER HA H 17 4.430 4.430 4.309 0.121 19221 7143 1 8 . 1 1 17 17 SER C C 17 175.197 175.197 175.334 -0.137 19221 7144 1 8 . 1 1 17 17 SER CA C 17 61.040 61.040 60.336 0.704 19221 7145 1 8 . 1 1 17 17 SER CB C 17 63.460 63.460 63.626 -0.166 19221 7146 1 8 . 1 1 17 17 SER H H 17 7.848 7.848 8.096 -0.248 19221 7147 1 8 . 1 1 18 18 THR N N 18 110.850 110.850 112.368 -1.518 19221 7148 1 8 . 1 1 18 18 THR HA H 18 4.452 4.452 4.365 0.087 19221 7149 1 8 . 1 1 18 18 THR C C 18 174.439 174.439 174.798 -0.359 19221 7150 1 8 . 1 1 18 18 THR CA C 18 61.421 61.421 61.134 0.287 19221 7151 1 8 . 1 1 18 18 THR CB C 18 69.940 69.940 70.145 -0.205 19221 7152 1 8 . 1 1 18 18 THR H H 18 7.505 7.505 7.290 0.215 19221 7153 1 8 . 1 1 19 19 LEU N N 19 123.180 123.180 122.604 0.576 19221 7154 1 8 . 1 1 19 19 LEU HA H 19 4.160 4.160 3.801 0.359 19221 7155 1 8 . 1 1 19 19 LEU C C 19 176.926 176.926 175.730 1.196 19221 7156 1 8 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.927 -0.637 19221 7157 1 8 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.510 -0.061 19221 7158 1 8 . 1 1 19 19 LEU H H 19 7.095 7.095 7.433 -0.338 19221 7159 1 8 . 1 1 20 20 GLU N N 20 125.330 125.330 124.342 0.988 19221 7160 1 8 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.705 -0.097 19221 7161 1 8 . 1 1 20 20 GLU C C 20 175.915 175.915 174.983 0.932 19221 7162 1 8 . 1 1 20 20 GLU CA C 20 54.773 54.773 53.190 1.583 19221 7163 1 8 . 1 1 20 20 GLU CB C 20 29.590 29.590 31.389 -1.799 19221 7164 1 8 . 1 1 20 20 GLU H H 20 8.535 8.535 8.288 0.247 19221 7165 1 8 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.600 -0.267 19221 7166 1 8 . 1 1 21 21 PRO C C 21 177.196 177.196 176.602 0.594 19221 7167 1 8 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.450 0.330 19221 7168 1 8 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.975 -0.125 19221 7169 1 8 . 1 1 22 22 SER N N 22 111.220 111.220 113.392 -2.172 19221 7170 1 8 . 1 1 22 22 SER HA H 22 4.398 4.398 4.309 0.089 19221 7171 1 8 . 1 1 22 22 SER C C 22 175.056 175.056 174.985 0.071 19221 7172 1 8 . 1 1 22 22 SER CA C 22 58.530 58.530 59.607 -1.077 19221 7173 1 8 . 1 1 22 22 SER CB C 22 63.500 63.500 63.348 0.152 19221 7174 1 8 . 1 1 22 22 SER H H 22 7.967 7.967 8.395 -0.428 19221 7175 1 8 . 1 1 23 23 THR N N 23 117.440 117.440 116.146 1.294 19221 7176 1 8 . 1 1 23 23 THR HA H 23 4.279 4.279 4.673 -0.394 19221 7177 1 8 . 1 1 23 23 THR C C 23 174.573 174.573 172.853 1.720 19221 7178 1 8 . 1 1 23 23 THR CA C 23 62.920 62.920 61.649 1.271 19221 7179 1 8 . 1 1 23 23 THR CB C 23 69.260 69.260 71.477 -2.217 19221 7180 1 8 . 1 1 23 23 THR H H 23 7.936 7.936 7.795 0.141 19221 7181 1 8 . 1 1 24 24 SER N N 24 119.820 119.820 116.291 3.529 19221 7182 1 8 . 1 1 24 24 SER HA H 24 4.485 4.485 5.002 -0.517 19221 7183 1 8 . 1 1 24 24 SER C C 24 174.082 174.082 173.318 0.764 19221 7184 1 8 . 1 1 24 24 SER CA C 24 58.600 58.600 57.559 1.041 19221 7185 1 8 . 1 1 24 24 SER CB C 24 63.430 63.430 65.600 -2.170 19221 7186 1 8 . 1 1 24 24 SER H H 24 8.438 8.438 8.211 0.227 19221 7187 1 8 . 1 1 25 25 ILE N N 25 123.140 123.140 120.637 2.503 19221 7188 1 8 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.721 -0.242 19221 7189 1 8 . 1 1 25 25 ILE C C 25 176.472 176.472 174.535 1.937 19221 7190 1 8 . 1 1 25 25 ILE CA C 25 61.010 61.010 60.286 0.724 19221 7191 1 8 . 1 1 25 25 ILE CB C 25 39.460 39.460 41.823 -2.363 19221 7192 1 8 . 1 1 25 25 ILE H H 25 7.870 7.870 8.538 -0.668 19221 7193 1 8 . 1 1 26 26 THR N N 26 118.120 118.120 112.765 5.355 19221 7194 1 8 . 1 1 26 26 THR HA H 26 4.394 4.394 4.558 -0.164 19221 7195 1 8 . 1 1 26 26 THR C C 26 175.540 175.540 174.408 1.132 19221 7196 1 8 . 1 1 26 26 THR CA C 26 61.890 61.890 59.984 1.906 19221 7197 1 8 . 1 1 26 26 THR CB C 26 71.320 71.320 71.979 -0.659 19221 7198 1 8 . 1 1 26 26 THR H H 26 8.649 8.649 8.154 0.495 19221 7199 1 8 . 1 1 27 27 LEU N N 27 123.130 123.130 121.689 1.441 19221 7200 1 8 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.109 -0.020 19221 7201 1 8 . 1 1 27 27 LEU C C 27 178.653 178.653 178.234 0.419 19221 7202 1 8 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.598 1.162 19221 7203 1 8 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.517 -0.337 19221 7204 1 8 . 1 1 27 27 LEU H H 27 8.766 8.766 8.686 0.080 19221 7205 1 8 . 1 1 28 28 ALA N N 28 119.510 119.510 121.153 -1.643 19221 7206 1 8 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.108 0.155 19221 7207 1 8 . 1 1 28 28 ALA C C 28 178.218 178.218 179.965 -1.747 19221 7208 1 8 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.871 0.449 19221 7209 1 8 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.182 -0.062 19221 7210 1 8 . 1 1 28 28 ALA H H 28 8.546 8.546 8.306 0.240 19221 7211 1 8 . 1 1 29 29 GLU N N 29 118.210 118.210 118.285 -0.075 19221 7212 1 8 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.087 -0.006 19221 7213 1 8 . 1 1 29 29 GLU C C 29 179.929 179.929 179.443 0.486 19221 7214 1 8 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.302 -0.002 19221 7215 1 8 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.470 0.606 19221 7216 1 8 . 1 1 29 29 GLU H H 29 7.719 7.719 8.078 -0.359 19221 7217 1 8 . 1 1 30 30 ARG N N 30 121.350 121.350 120.392 0.958 19221 7218 1 8 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.023 -0.064 19221 7219 1 8 . 1 1 30 30 ARG C C 30 177.538 177.538 178.904 -1.366 19221 7220 1 8 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.788 0.856 19221 7221 1 8 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.167 0.833 19221 7222 1 8 . 1 1 30 30 ARG H H 30 8.410 8.410 8.479 -0.069 19221 7223 1 8 . 1 1 31 31 GLN N N 31 117.670 117.670 119.301 -1.631 19221 7224 1 8 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.032 -0.080 19221 7225 1 8 . 1 1 31 31 GLN C C 31 178.220 178.220 178.949 -0.729 19221 7226 1 8 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.287 -0.332 19221 7227 1 8 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.689 -0.059 19221 7228 1 8 . 1 1 31 31 GLN H H 31 8.742 8.742 8.564 0.178 19221 7229 1 8 . 1 1 32 32 GLN N N 32 117.910 117.910 118.523 -0.613 19221 7230 1 8 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.191 -0.204 19221 7231 1 8 . 1 1 32 32 GLN C C 32 177.712 177.712 178.817 -1.105 19221 7232 1 8 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.380 -0.050 19221 7233 1 8 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.507 -0.187 19221 7234 1 8 . 1 1 32 32 GLN H H 32 7.732 7.732 8.013 -0.281 19221 7235 1 8 . 1 1 33 33 LEU N N 33 119.680 119.680 121.664 -1.984 19221 7236 1 8 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.076 0.328 19221 7237 1 8 . 1 1 33 33 LEU C C 33 178.876 178.876 178.265 0.611 19221 7238 1 8 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.723 0.327 19221 7239 1 8 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.360 0.440 19221 7240 1 8 . 1 1 33 33 LEU H H 33 7.846 7.846 8.529 -0.683 19221 7241 1 8 . 1 1 34 34 ALA N N 34 121.660 121.660 122.019 -0.359 19221 7242 1 8 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.977 -0.236 19221 7243 1 8 . 1 1 34 34 ALA C C 34 180.025 180.025 179.295 0.730 19221 7244 1 8 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.171 0.499 19221 7245 1 8 . 1 1 34 34 ALA CB C 34 18.940 18.940 17.837 1.103 19221 7246 1 8 . 1 1 34 34 ALA H H 34 8.308 8.308 8.559 -0.251 19221 7247 1 8 . 1 1 35 35 TYR N N 35 120.860 120.860 119.745 1.115 19221 7248 1 8 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.742 0.016 19221 7249 1 8 . 1 1 35 35 TYR C C 35 176.384 176.384 177.357 -0.973 19221 7250 1 8 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.993 0.027 19221 7251 1 8 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.953 0.507 19221 7252 1 8 . 1 1 35 35 TYR H H 35 8.457 8.457 8.459 -0.002 19221 7253 1 8 . 1 1 36 36 ASP N N 36 120.570 120.570 119.682 0.888 19221 7254 1 8 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.183 0.052 19221 7255 1 8 . 1 1 36 36 ASP C C 36 180.544 180.544 178.641 1.903 19221 7256 1 8 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.538 0.402 19221 7257 1 8 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.865 -0.395 19221 7258 1 8 . 1 1 36 36 ASP H H 36 9.072 9.072 8.390 0.682 19221 7259 1 8 . 1 1 37 37 LEU N N 37 123.000 123.000 120.428 2.572 19221 7260 1 8 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.016 0.130 19221 7261 1 8 . 1 1 37 37 LEU C C 37 178.743 178.743 179.063 -0.320 19221 7262 1 8 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.633 -0.019 19221 7263 1 8 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.943 0.867 19221 7264 1 8 . 1 1 37 37 LEU H H 37 9.068 9.068 8.566 0.502 19221 7265 1 8 . 1 1 38 38 SER N N 38 116.650 116.650 115.666 0.984 19221 7266 1 8 . 1 1 38 38 SER HA H 38 3.680 3.680 4.093 -0.413 19221 7267 1 8 . 1 1 38 38 SER C C 38 174.113 174.113 176.691 -2.578 19221 7268 1 8 . 1 1 38 38 SER CA C 38 59.430 59.430 62.259 -2.829 19221 7269 1 8 . 1 1 38 38 SER CB C 38 63.559 63.559 62.784 0.775 19221 7270 1 8 . 1 1 38 38 SER H H 38 7.824 7.824 8.157 -0.333 19221 7271 1 8 . 1 1 39 39 ILE N N 39 121.198 121.198 121.824 -0.626 19221 7272 1 8 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.594 -0.189 19221 7273 1 8 . 1 1 39 39 ILE C C 39 176.113 176.113 177.741 -1.628 19221 7274 1 8 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.102 -0.743 19221 7275 1 8 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.520 -1.173 19221 7276 1 8 . 1 1 39 39 ILE H H 39 8.313 8.313 8.270 0.043 19221 7277 1 8 . 1 1 40 40 SER N N 40 115.537 115.537 116.360 -0.823 19221 7278 1 8 . 1 1 40 40 SER HA H 40 4.534 4.534 4.233 0.301 19221 7279 1 8 . 1 1 40 40 SER C C 40 174.881 174.881 176.648 -1.767 19221 7280 1 8 . 1 1 40 40 SER CA C 40 62.520 62.520 62.328 0.192 19221 7281 1 8 . 1 1 40 40 SER CB C 40 62.670 62.670 62.924 -0.254 19221 7282 1 8 . 1 1 40 40 SER H H 40 7.961 7.961 8.493 -0.532 19221 7283 1 8 . 1 1 41 41 ALA N N 41 123.360 123.360 124.711 -1.351 19221 7284 1 8 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.623 -0.032 19221 7285 1 8 . 1 1 41 41 ALA C C 41 178.822 178.822 178.525 0.297 19221 7286 1 8 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.491 -0.369 19221 7287 1 8 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.292 0.098 19221 7288 1 8 . 1 1 41 41 ALA H H 41 7.878 7.878 7.932 -0.054 19221 7289 1 8 . 1 1 42 42 LEU N N 42 115.790 115.790 118.315 -2.525 19221 7290 1 8 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.026 -0.450 19221 7291 1 8 . 1 1 42 42 LEU C C 42 179.683 179.683 178.495 1.188 19221 7292 1 8 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.283 1.448 19221 7293 1 8 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.211 -0.000 19221 7294 1 8 . 1 1 42 42 LEU H H 42 7.737 7.737 7.661 0.076 19221 7295 1 8 . 1 1 43 43 LEU N N 43 113.670 113.670 115.641 -1.971 19221 7296 1 8 . 1 1 43 43 LEU HA H 43 4.007 4.007 3.942 0.065 19221 7297 1 8 . 1 1 43 43 LEU C C 43 177.279 177.279 177.614 -0.335 19221 7298 1 8 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.610 0.320 19221 7299 1 8 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.659 -0.839 19221 7300 1 8 . 1 1 43 43 LEU H H 43 7.798 7.798 7.768 0.030 19221 7301 1 8 . 1 1 44 44 GLY N N 44 108.270 108.270 108.230 0.040 19221 7302 1 8 . 1 1 44 44 GLY C C 44 177.020 177.020 174.004 3.016 19221 7303 1 8 . 1 1 44 44 GLY CA C 44 46.890 46.890 45.006 1.884 19221 7304 1 8 . 1 1 44 44 GLY H H 44 7.984 7.984 8.097 -0.113 19221 7305 1 8 . 1 1 45 45 ASP N N 45 128.400 128.400 124.857 3.543 19221 7306 1 8 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.364 0.195 19221 7307 1 8 . 1 1 45 45 ASP C C 45 177.183 177.183 177.797 -0.614 19221 7308 1 8 . 1 1 45 45 ASP CA C 45 55.450 55.450 57.826 -2.376 19221 7309 1 8 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.541 -1.751 19221 7310 1 8 . 1 1 45 45 ASP H H 45 9.073 9.073 8.154 0.919 19221 7311 1 8 . 1 1 46 46 LYS N N 46 117.230 117.230 120.275 -3.045 19221 7312 1 8 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.170 0.775 19221 7313 1 8 . 1 1 46 46 LYS C C 46 176.544 176.544 177.391 -0.847 19221 7314 1 8 . 1 1 46 46 LYS CA C 46 55.610 55.610 57.985 -2.375 19221 7315 1 8 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.285 1.675 19221 7316 1 8 . 1 1 46 46 LYS H H 46 8.987 8.987 8.298 0.689 19221 7317 1 8 . 1 1 47 47 ILE N N 47 121.540 121.540 122.062 -0.522 19221 7318 1 8 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.977 0.120 19221 7319 1 8 . 1 1 47 47 ILE C C 47 174.082 174.082 175.874 -1.792 19221 7320 1 8 . 1 1 47 47 ILE CA C 47 61.080 61.080 61.904 -0.824 19221 7321 1 8 . 1 1 47 47 ILE CB C 47 37.008 37.008 36.492 0.515 19221 7322 1 8 . 1 1 47 47 ILE H H 47 6.840 6.840 8.223 -1.383 19221 7323 1 8 . 1 1 48 48 TYR N N 48 123.820 123.820 128.143 -4.323 19221 7324 1 8 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.368 -0.059 19221 7325 1 8 . 1 1 48 48 TYR C C 48 173.249 173.249 173.935 -0.686 19221 7326 1 8 . 1 1 48 48 TYR CA C 48 57.350 57.350 58.722 -1.372 19221 7327 1 8 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.399 -0.169 19221 7328 1 8 . 1 1 48 48 TYR H H 48 8.511 8.511 7.918 0.593 19221 7329 1 8 . 1 1 49 49 ASN N N 49 116.100 116.100 114.927 1.173 19221 7330 1 8 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.443 0.008 19221 7331 1 8 . 1 1 49 49 ASN C C 49 175.429 175.429 175.388 0.041 19221 7332 1 8 . 1 1 49 49 ASN CA C 49 53.077 53.077 51.137 1.940 19221 7333 1 8 . 1 1 49 49 ASN CB C 49 39.916 39.916 40.522 -0.606 19221 7334 1 8 . 1 1 49 49 ASN H H 49 6.906 6.906 7.227 -0.321 19221 7335 1 8 . 1 1 50 50 PHE N N 50 124.360 124.360 121.675 2.685 19221 7336 1 8 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.259 0.752 19221 7337 1 8 . 1 1 50 50 PHE C C 50 176.190 176.190 177.040 -0.850 19221 7338 1 8 . 1 1 50 50 PHE CA C 50 55.863 55.863 58.252 -2.389 19221 7339 1 8 . 1 1 50 50 PHE CB C 50 38.482 38.482 38.731 -0.249 19221 7340 1 8 . 1 1 50 50 PHE H H 50 8.980 8.980 8.991 -0.011 19221 7341 1 8 . 1 1 51 51 GLY N N 51 109.740 109.740 107.941 1.799 19221 7342 1 8 . 1 1 51 51 GLY C C 51 175.758 175.758 173.993 1.765 19221 7343 1 8 . 1 1 51 51 GLY CA C 51 48.300 48.300 45.127 3.173 19221 7344 1 8 . 1 1 51 51 GLY H H 51 8.658 8.658 7.919 0.739 19221 7345 1 8 . 1 1 52 52 GLU N N 52 120.700 120.700 115.046 5.654 19221 7346 1 8 . 1 1 52 52 GLU HA H 52 4.082 4.082 3.506 0.576 19221 7347 1 8 . 1 1 52 52 GLU C C 52 178.240 178.240 176.812 1.428 19221 7348 1 8 . 1 1 52 52 GLU CA C 52 59.210 59.210 57.578 1.632 19221 7349 1 8 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.346 0.393 19221 7350 1 8 . 1 1 52 52 GLU H H 52 8.321 8.321 6.783 1.538 19221 7351 1 8 . 1 1 53 53 LEU N N 53 119.400 119.400 121.639 -2.239 19221 7352 1 8 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.140 0.018 19221 7353 1 8 . 1 1 53 53 LEU C C 53 178.344 178.344 178.102 0.242 19221 7354 1 8 . 1 1 53 53 LEU CA C 53 57.790 57.790 58.707 -0.917 19221 7355 1 8 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.994 0.846 19221 7356 1 8 . 1 1 53 53 LEU H H 53 7.694 7.694 7.766 -0.072 19221 7357 1 8 . 1 1 54 54 LEU N N 54 114.230 114.230 113.591 0.639 19221 7358 1 8 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.247 -0.324 19221 7359 1 8 . 1 1 54 54 LEU C C 54 178.643 178.643 177.151 1.492 19221 7360 1 8 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.483 1.247 19221 7361 1 8 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.059 0.791 19221 7362 1 8 . 1 1 54 54 LEU H H 54 8.369 8.369 8.337 0.032 19221 7363 1 8 . 1 1 55 55 HIS N N 55 113.420 113.420 112.164 1.256 19221 7364 1 8 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.864 -0.157 19221 7365 1 8 . 1 1 55 55 HIS C C 55 173.981 173.981 174.992 -1.011 19221 7366 1 8 . 1 1 55 55 HIS CA C 55 55.520 55.520 54.894 0.626 19221 7367 1 8 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.070 -1.790 19221 7368 1 8 . 1 1 55 55 HIS H H 55 7.569 7.569 7.879 -0.310 19221 7369 1 8 . 1 1 56 56 HIS N N 56 126.050 126.050 123.210 2.840 19221 7370 1 8 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.746 -0.265 19221 7371 1 8 . 1 1 56 56 HIS C C 56 176.705 176.705 174.316 2.389 19221 7372 1 8 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.593 1.757 19221 7373 1 8 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.450 0.270 19221 7374 1 8 . 1 1 56 56 HIS H H 56 8.068 8.068 8.221 -0.153 19221 7375 1 8 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.457 -0.080 19221 7376 1 8 . 1 1 57 57 PRO C C 57 179.790 179.790 175.281 4.509 19221 7377 1 8 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.022 1.419 19221 7378 1 8 . 1 1 57 57 PRO CB C 57 32.430 32.430 30.353 2.077 19221 7379 1 8 . 1 1 58 58 ILE N N 58 124.900 124.900 120.766 4.134 19221 7380 1 8 . 1 1 58 58 ILE HA H 58 4.270 4.270 4.361 -0.091 19221 7381 1 8 . 1 1 58 58 ILE C C 58 177.782 177.782 175.406 2.376 19221 7382 1 8 . 1 1 58 58 ILE CA C 58 62.530 62.530 61.751 0.779 19221 7383 1 8 . 1 1 58 58 ILE CB C 58 38.270 38.270 40.675 -2.405 19221 7384 1 8 . 1 1 58 58 ILE H H 58 11.871 11.871 8.738 3.133 19221 7385 1 8 . 1 1 59 59 MET N N 59 120.230 120.230 120.497 -0.267 19221 7386 1 8 . 1 1 59 59 MET HA H 59 4.431 4.431 4.228 0.203 19221 7387 1 8 . 1 1 59 59 MET C C 59 178.757 178.757 178.465 0.292 19221 7388 1 8 . 1 1 59 59 MET CA C 59 55.720 55.720 57.293 -1.573 19221 7389 1 8 . 1 1 59 59 MET CB C 59 30.980 30.980 31.127 -0.147 19221 7390 1 8 . 1 1 59 59 MET H H 59 8.152 8.152 7.839 0.313 19221 7391 1 8 . 1 1 60 60 GLU N N 60 119.080 119.080 118.148 0.932 19221 7392 1 8 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.931 0.077 19221 7393 1 8 . 1 1 60 60 GLU C C 60 178.242 178.242 177.768 0.474 19221 7394 1 8 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.091 -0.571 19221 7395 1 8 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.640 0.907 19221 7396 1 8 . 1 1 60 60 GLU H H 60 7.889 7.889 8.650 -0.761 19221 7397 1 8 . 1 1 61 61 THR N N 61 106.740 106.740 110.452 -3.712 19221 7398 1 8 . 1 1 61 61 THR HA H 61 4.120 4.120 4.199 -0.079 19221 7399 1 8 . 1 1 61 61 THR C C 61 176.056 176.056 175.456 0.600 19221 7400 1 8 . 1 1 61 61 THR CA C 61 64.520 64.520 64.255 0.264 19221 7401 1 8 . 1 1 61 61 THR CB C 61 69.420 69.420 69.499 -0.079 19221 7402 1 8 . 1 1 61 61 THR H H 61 7.558 7.558 7.754 -0.196 19221 7403 1 8 . 1 1 62 62 ILE N N 62 113.140 113.140 116.924 -3.784 19221 7404 1 8 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.572 0.015 19221 7405 1 8 . 1 1 62 62 ILE C C 62 176.843 176.843 177.277 -0.434 19221 7406 1 8 . 1 1 62 62 ILE CA C 62 61.790 61.790 62.263 -0.473 19221 7407 1 8 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.869 0.501 19221 7408 1 8 . 1 1 62 62 ILE H H 62 7.235 7.235 7.684 -0.449 19221 7409 1 8 . 1 1 63 63 VAL N N 63 122.110 122.110 119.848 2.262 19221 7410 1 8 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.327 0.019 19221 7411 1 8 . 1 1 63 63 VAL C C 63 175.165 175.165 176.273 -1.108 19221 7412 1 8 . 1 1 63 63 VAL CA C 63 64.440 64.440 64.821 -0.381 19221 7413 1 8 . 1 1 63 63 VAL CB C 63 31.199 31.199 30.971 0.228 19221 7414 1 8 . 1 1 63 63 VAL H H 63 7.436 7.436 7.944 -0.508 19221 7415 1 8 . 1 1 64 64 ASN N N 64 116.810 116.810 113.137 3.673 19221 7416 1 8 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.655 0.126 19221 7417 1 8 . 1 1 64 64 ASN C C 64 174.101 174.101 174.288 -0.187 19221 7418 1 8 . 1 1 64 64 ASN CA C 64 52.900 52.900 52.580 0.320 19221 7419 1 8 . 1 1 64 64 ASN CB C 64 38.779 38.779 39.298 -0.520 19221 7420 1 8 . 1 1 64 64 ASN H H 64 8.352 8.352 8.034 0.318 19221 7421 1 8 . 1 1 65 65 ASP N N 65 120.930 120.930 120.113 0.817 19221 7422 1 8 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.912 -0.032 19221 7423 1 8 . 1 1 65 65 ASP C C 65 177.534 177.534 176.586 0.948 19221 7424 1 8 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.855 0.315 19221 7425 1 8 . 1 1 65 65 ASP CB C 65 43.100 43.100 43.031 0.069 19221 7426 1 8 . 1 1 65 65 ASP H H 65 7.453 7.453 7.790 -0.337 19221 7427 1 8 . 1 1 66 66 SER HA H 66 4.356 4.356 4.121 0.235 19221 7428 1 8 . 1 1 66 66 SER C C 66 176.310 176.310 175.717 0.593 19221 7429 1 8 . 1 1 66 66 SER CA C 66 61.350 61.350 61.053 0.297 19221 7430 1 8 . 1 1 66 66 SER CB C 66 63.120 63.120 63.274 -0.154 19221 7431 1 8 . 1 1 66 66 SER H H 66 7.010 7.010 9.064 -2.054 19221 7432 1 8 . 1 1 67 67 ASN N N 67 120.050 120.050 118.426 1.624 19221 7433 1 8 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.546 0.059 19221 7434 1 8 . 1 1 67 67 ASN C C 67 176.107 176.107 176.317 -0.210 19221 7435 1 8 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.303 0.267 19221 7436 1 8 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.653 -0.053 19221 7437 1 8 . 1 1 67 67 ASN H H 67 9.014 9.014 8.601 0.413 19221 7438 1 8 . 1 1 68 68 TYR N N 68 114.840 114.840 116.081 -1.241 19221 7439 1 8 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.299 0.220 19221 7440 1 8 . 1 1 68 68 TYR C C 68 175.709 175.709 176.030 -0.321 19221 7441 1 8 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.983 0.626 19221 7442 1 8 . 1 1 68 68 TYR CB C 68 39.750 39.750 39.516 0.234 19221 7443 1 8 . 1 1 68 68 TYR H H 68 8.276 8.276 8.110 0.166 19221 7444 1 8 . 1 1 69 69 ASP N N 69 122.810 122.810 123.089 -0.279 19221 7445 1 8 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.451 0.001 19221 7446 1 8 . 1 1 69 69 ASP C C 69 178.371 178.371 177.719 0.652 19221 7447 1 8 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.321 0.309 19221 7448 1 8 . 1 1 69 69 ASP CB C 69 40.630 40.630 41.085 -0.455 19221 7449 1 8 . 1 1 69 69 ASP H H 69 7.806 7.806 8.344 -0.538 19221 7450 1 8 . 1 1 70 70 TRP N N 70 117.270 117.270 118.295 -1.025 19221 7451 1 8 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.504 -0.340 19221 7452 1 8 . 1 1 70 70 TRP C C 70 176.090 176.090 177.700 -1.610 19221 7453 1 8 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.416 -0.886 19221 7454 1 8 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.223 -0.673 19221 7455 1 8 . 1 1 70 70 TRP H H 70 8.172 8.172 7.787 0.385 19221 7456 1 8 . 1 1 71 71 LEU N N 71 125.263 125.263 122.364 2.899 19221 7457 1 8 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.826 -0.586 19221 7458 1 8 . 1 1 71 71 LEU C C 71 178.306 178.306 178.276 0.030 19221 7459 1 8 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.100 0.510 19221 7460 1 8 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.513 0.677 19221 7461 1 8 . 1 1 71 71 LEU H H 71 6.251 6.251 6.392 -0.141 19221 7462 1 8 . 1 1 72 72 PHE N N 72 117.630 117.630 120.062 -2.432 19221 7463 1 8 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.950 -0.137 19221 7464 1 8 . 1 1 72 72 PHE C C 72 178.797 178.797 177.149 1.648 19221 7465 1 8 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.456 1.115 19221 7466 1 8 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.736 0.074 19221 7467 1 8 . 1 1 72 72 PHE H H 72 6.996 6.996 8.412 -1.416 19221 7468 1 8 . 1 1 73 73 GLN N N 73 117.950 117.950 117.877 0.073 19221 7469 1 8 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.614 0.452 19221 7470 1 8 . 1 1 73 73 GLN C C 73 179.341 179.341 178.252 1.089 19221 7471 1 8 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.988 0.102 19221 7472 1 8 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.705 -0.455 19221 7473 1 8 . 1 1 73 73 GLN H H 73 8.415 8.415 8.305 0.110 19221 7474 1 8 . 1 1 74 74 LEU N N 74 122.275 122.275 122.572 -0.297 19221 7475 1 8 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.016 0.054 19221 7476 1 8 . 1 1 74 74 LEU C C 74 177.889 177.889 178.299 -0.410 19221 7477 1 8 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.686 0.884 19221 7478 1 8 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.726 0.454 19221 7479 1 8 . 1 1 74 74 LEU H H 74 8.365 8.365 8.116 0.249 19221 7480 1 8 . 1 1 75 75 LEU N N 75 118.123 118.123 119.416 -1.293 19221 7481 1 8 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.728 -0.001 19221 7482 1 8 . 1 1 75 75 LEU C C 75 180.172 180.172 179.109 1.063 19221 7483 1 8 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.542 -0.089 19221 7484 1 8 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.080 1.260 19221 7485 1 8 . 1 1 75 75 LEU H H 75 8.210 8.210 8.695 -0.485 19221 7486 1 8 . 1 1 76 76 ASN N N 76 117.960 117.960 117.920 0.040 19221 7487 1 8 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.103 0.272 19221 7488 1 8 . 1 1 76 76 ASN C C 76 176.582 176.582 177.196 -0.614 19221 7489 1 8 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.050 0.910 19221 7490 1 8 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.831 1.119 19221 7491 1 8 . 1 1 76 76 ASN H H 76 8.363 8.363 8.228 0.135 19221 7492 1 8 . 1 1 77 77 ALA N N 77 121.740 121.740 121.856 -0.116 19221 7493 1 8 . 1 1 77 77 ALA HA H 77 4.167 4.167 3.963 0.204 19221 7494 1 8 . 1 1 77 77 ALA C C 77 179.988 179.988 179.983 0.005 19221 7495 1 8 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.797 0.763 19221 7496 1 8 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.371 -1.041 19221 7497 1 8 . 1 1 77 77 ALA H H 77 8.385 8.385 8.057 0.328 19221 7498 1 8 . 1 1 78 78 LEU N N 78 116.550 116.550 117.830 -1.280 19221 7499 1 8 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.845 -0.192 19221 7500 1 8 . 1 1 78 78 LEU C C 78 177.576 177.576 179.117 -1.541 19221 7501 1 8 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.811 1.173 19221 7502 1 8 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.621 0.389 19221 7503 1 8 . 1 1 78 78 LEU H H 78 7.965 7.965 7.847 0.118 19221 7504 1 8 . 1 1 79 79 THR N N 79 113.220 113.220 114.023 -0.803 19221 7505 1 8 . 1 1 79 79 THR HA H 79 3.807 3.807 4.021 -0.214 19221 7506 1 8 . 1 1 79 79 THR C C 79 176.163 176.163 175.145 1.018 19221 7507 1 8 . 1 1 79 79 THR CA C 79 66.980 66.980 65.911 1.069 19221 7508 1 8 . 1 1 79 79 THR CB C 79 69.240 69.240 68.503 0.737 19221 7509 1 8 . 1 1 79 79 THR H H 79 7.565 7.565 8.029 -0.464 19221 7510 1 8 . 1 1 80 80 VAL N N 80 110.800 110.800 111.946 -1.146 19221 7511 1 8 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.554 -0.045 19221 7512 1 8 . 1 1 80 80 VAL C C 80 176.751 176.751 176.114 0.637 19221 7513 1 8 . 1 1 80 80 VAL CA C 80 60.890 60.890 61.228 -0.339 19221 7514 1 8 . 1 1 80 80 VAL CB C 80 32.005 32.005 33.871 -1.866 19221 7515 1 8 . 1 1 80 80 VAL H H 80 7.792 7.792 7.109 0.683 19221 7516 1 8 . 1 1 81 81 GLY N N 81 112.910 112.910 110.766 2.144 19221 7517 1 8 . 1 1 81 81 GLY C C 81 173.874 173.874 174.009 -0.135 19221 7518 1 8 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.669 1.611 19221 7519 1 8 . 1 1 81 81 GLY H H 81 7.506 7.506 7.855 -0.349 19221 7520 1 8 . 1 1 82 82 ASP N N 82 119.112 119.112 120.729 -1.617 19221 7521 1 8 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.869 -0.029 19221 7522 1 8 . 1 1 82 82 ASP C C 82 175.706 175.706 176.344 -0.638 19221 7523 1 8 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.626 0.294 19221 7524 1 8 . 1 1 82 82 ASP CB C 82 39.950 39.950 40.159 -0.209 19221 7525 1 8 . 1 1 82 82 ASP H H 82 8.254 8.254 7.888 0.366 19221 7526 1 8 . 1 1 83 83 PHE N N 83 123.870 123.870 124.136 -0.266 19221 7527 1 8 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.222 -0.394 19221 7528 1 8 . 1 1 83 83 PHE C C 83 177.950 177.950 177.474 0.476 19221 7529 1 8 . 1 1 83 83 PHE CA C 83 62.570 62.570 62.134 0.436 19221 7530 1 8 . 1 1 83 83 PHE CB C 83 39.120 39.120 39.172 -0.052 19221 7531 1 8 . 1 1 83 83 PHE H H 83 8.025 8.025 8.150 -0.125 19221 7532 1 8 . 1 1 84 84 ASP N N 84 119.583 119.583 119.580 0.003 19221 7533 1 8 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.409 0.113 19221 7534 1 8 . 1 1 84 84 ASP C C 84 179.005 179.005 178.557 0.448 19221 7535 1 8 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.814 -0.154 19221 7536 1 8 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.816 -0.256 19221 7537 1 8 . 1 1 84 84 ASP H H 84 8.464 8.464 8.251 0.213 19221 7538 1 8 . 1 1 85 85 LYS N N 85 122.200 122.200 120.063 2.137 19221 7539 1 8 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.062 0.030 19221 7540 1 8 . 1 1 85 85 LYS C C 85 178.580 178.580 178.947 -0.367 19221 7541 1 8 . 1 1 85 85 LYS CA C 85 58.250 58.250 59.041 -0.791 19221 7542 1 8 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.319 -0.009 19221 7543 1 8 . 1 1 85 85 LYS H H 85 8.009 8.009 8.418 -0.409 19221 7544 1 8 . 1 1 86 86 PHE N N 86 118.590 118.590 120.816 -2.226 19221 7545 1 8 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.016 -0.180 19221 7546 1 8 . 1 1 86 86 PHE C C 86 175.649 175.649 176.732 -1.083 19221 7547 1 8 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.613 0.797 19221 7548 1 8 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.576 1.504 19221 7549 1 8 . 1 1 86 86 PHE H H 86 8.331 8.331 8.774 -0.443 19221 7550 1 8 . 1 1 87 87 ASP N N 87 117.790 117.790 118.874 -1.084 19221 7551 1 8 . 1 1 87 87 ASP HA H 87 4.198 4.198 3.774 0.424 19221 7552 1 8 . 1 1 87 87 ASP C C 87 178.542 178.542 178.504 0.038 19221 7553 1 8 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.440 0.400 19221 7554 1 8 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.538 1.352 19221 7555 1 8 . 1 1 87 87 ASP H H 87 8.560 8.560 8.544 0.016 19221 7556 1 8 . 1 1 88 88 SER N N 88 112.940 112.940 115.826 -2.886 19221 7557 1 8 . 1 1 88 88 SER HA H 88 4.153 4.153 4.181 -0.028 19221 7558 1 8 . 1 1 88 88 SER C C 88 176.823 176.823 176.199 0.624 19221 7559 1 8 . 1 1 88 88 SER CA C 88 61.590 61.590 61.887 -0.297 19221 7560 1 8 . 1 1 88 88 SER CB C 88 63.085 63.085 63.277 -0.192 19221 7561 1 8 . 1 1 88 88 SER H H 88 7.757 7.757 8.062 -0.305 19221 7562 1 8 . 1 1 89 89 LEU N N 89 121.710 121.710 120.053 1.657 19221 7563 1 8 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.251 -0.083 19221 7564 1 8 . 1 1 89 89 LEU C C 89 180.006 180.006 177.965 2.041 19221 7565 1 8 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.318 0.512 19221 7566 1 8 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.432 0.948 19221 7567 1 8 . 1 1 89 89 LEU H H 89 8.173 8.173 7.810 0.363 19221 7568 1 8 . 1 1 90 90 ILE N N 90 119.830 119.830 120.871 -1.041 19221 7569 1 8 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.485 0.060 19221 7570 1 8 . 1 1 90 90 ILE C C 90 177.083 177.083 178.577 -1.494 19221 7571 1 8 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.563 -1.653 19221 7572 1 8 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.528 -0.448 19221 7573 1 8 . 1 1 90 90 ILE H H 90 8.424 8.424 8.528 -0.104 19221 7574 1 8 . 1 1 91 91 LYS N N 91 117.980 117.980 117.322 0.658 19221 7575 1 8 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.951 -0.050 19221 7576 1 8 . 1 1 91 91 LYS C C 91 178.803 178.803 177.774 1.029 19221 7577 1 8 . 1 1 91 91 LYS CA C 91 59.510 59.510 58.993 0.517 19221 7578 1 8 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.365 0.395 19221 7579 1 8 . 1 1 91 91 LYS H H 91 7.569 7.569 8.096 -0.527 19221 7580 1 8 . 1 1 92 92 VAL N N 92 115.450 115.450 118.101 -2.651 19221 7581 1 8 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.966 -0.038 19221 7582 1 8 . 1 1 92 92 VAL C C 92 177.767 177.767 177.351 0.416 19221 7583 1 8 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.052 -0.502 19221 7584 1 8 . 1 1 92 92 VAL CB C 92 32.790 32.790 33.097 -0.307 19221 7585 1 8 . 1 1 92 92 VAL H H 92 7.432 7.432 7.543 -0.111 19221 7586 1 8 . 1 1 93 93 GLN N N 93 117.250 117.250 119.384 -2.134 19221 7587 1 8 . 1 1 93 93 GLN HA H 93 3.997 3.997 4.008 -0.011 19221 7588 1 8 . 1 1 93 93 GLN C C 93 178.756 178.756 178.790 -0.034 19221 7589 1 8 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.995 -0.435 19221 7590 1 8 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.404 0.266 19221 7591 1 8 . 1 1 93 93 GLN H H 93 8.127 8.127 8.586 -0.459 19221 7592 1 8 . 1 1 94 94 ILE N N 94 118.013 118.013 119.523 -1.510 19221 7593 1 8 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.740 -0.100 19221 7594 1 8 . 1 1 94 94 ILE C C 94 176.252 176.252 178.747 -2.495 19221 7595 1 8 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.812 1.168 19221 7596 1 8 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.839 0.291 19221 7597 1 8 . 1 1 94 94 ILE H H 94 8.390 8.390 7.321 1.069 19221 7598 1 8 . 1 1 95 95 SER N N 95 112.220 112.220 116.100 -3.880 19221 7599 1 8 . 1 1 95 95 SER HA H 95 4.158 4.158 4.164 -0.006 19221 7600 1 8 . 1 1 95 95 SER C C 95 174.893 174.893 175.745 -0.852 19221 7601 1 8 . 1 1 95 95 SER CA C 95 59.890 59.890 60.912 -1.022 19221 7602 1 8 . 1 1 95 95 SER CB C 95 63.170 63.170 62.933 0.237 19221 7603 1 8 . 1 1 95 95 SER H H 95 7.227 7.227 8.330 -1.103 19221 7604 1 8 . 1 1 96 96 LYS N N 96 119.000 119.000 118.645 0.355 19221 7605 1 8 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.127 0.198 19221 7606 1 8 . 1 1 96 96 LYS C C 96 175.903 175.903 176.131 -0.228 19221 7607 1 8 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.526 -0.926 19221 7608 1 8 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.055 0.885 19221 7609 1 8 . 1 1 96 96 LYS H H 96 7.250 7.250 7.479 -0.229 19221 7610 1 8 . 1 1 97 97 ILE N N 97 120.530 120.530 119.817 0.713 19221 7611 1 8 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.561 0.038 19221 7612 1 8 . 1 1 97 97 ILE C C 97 173.784 173.784 174.078 -0.294 19221 7613 1 8 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.806 -0.394 19221 7614 1 8 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.236 -2.676 19221 7615 1 8 . 1 1 97 97 ILE H H 97 7.713 7.713 7.333 0.380 19221 7616 1 8 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.301 -0.008 19221 7617 1 8 . 1 1 98 98 PRO C C 98 178.885 178.885 178.252 0.633 19221 7618 1 8 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.698 0.622 19221 7619 1 8 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.119 0.151 19221 7620 1 8 . 1 1 99 99 ILE N N 99 115.600 115.600 118.307 -2.707 19221 7621 1 8 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.851 0.441 19221 7622 1 8 . 1 1 99 99 ILE C C 99 177.025 177.025 177.450 -0.425 19221 7623 1 8 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.472 -0.691 19221 7624 1 8 . 1 1 99 99 ILE CB C 99 38.080 38.080 38.039 0.041 19221 7625 1 8 . 1 1 99 99 ILE H H 99 8.552 8.552 7.905 0.647 19221 7626 1 8 . 1 1 100 100 LEU N N 100 119.430 119.430 120.641 -1.211 19221 7627 1 8 . 1 1 100 100 LEU HA H 100 4.223 4.223 3.858 0.365 19221 7628 1 8 . 1 1 100 100 LEU C C 100 178.223 178.223 178.972 -0.749 19221 7629 1 8 . 1 1 100 100 LEU CA C 100 57.110 57.110 58.041 -0.931 19221 7630 1 8 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.215 1.005 19221 7631 1 8 . 1 1 100 100 LEU H H 100 7.404 7.404 7.576 -0.172 19221 7632 1 8 . 1 1 101 101 ALA N N 101 121.390 121.390 121.066 0.324 19221 7633 1 8 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.911 0.006 19221 7634 1 8 . 1 1 101 101 ALA C C 101 181.827 181.827 179.849 1.978 19221 7635 1 8 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.781 0.629 19221 7636 1 8 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.116 -0.166 19221 7637 1 8 . 1 1 101 101 ALA H H 101 7.839 7.839 8.145 -0.306 19221 7638 1 8 . 1 1 102 102 GLN N N 102 115.470 115.470 116.141 -0.671 19221 7639 1 8 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.227 -0.150 19221 7640 1 8 . 1 1 102 102 GLN C C 102 176.572 176.572 177.020 -0.448 19221 7641 1 8 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.773 -0.193 19221 7642 1 8 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.355 -0.725 19221 7643 1 8 . 1 1 102 102 GLN H H 102 8.276 8.276 7.742 0.534 19221 7644 1 8 . 1 1 103 103 HIS N N 103 115.980 115.980 113.235 2.745 19221 7645 1 8 . 1 1 103 103 HIS HA H 103 5.124 5.124 5.177 -0.053 19221 7646 1 8 . 1 1 103 103 HIS C C 103 175.326 175.326 174.406 0.920 19221 7647 1 8 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.233 2.117 19221 7648 1 8 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.482 1.508 19221 7649 1 8 . 1 1 103 103 HIS H H 103 7.450 7.450 7.788 -0.338 19221 7650 1 8 . 1 1 104 104 GLU N N 104 122.920 122.920 122.532 0.388 19221 7651 1 8 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.841 -0.028 19221 7652 1 8 . 1 1 104 104 GLU C C 104 177.960 177.960 177.685 0.275 19221 7653 1 8 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.616 0.894 19221 7654 1 8 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.554 -0.054 19221 7655 1 8 . 1 1 104 104 GLU H H 104 7.332 7.332 7.972 -0.640 19221 7656 1 8 . 1 1 105 105 SER N N 105 113.180 113.180 114.924 -1.744 19221 7657 1 8 . 1 1 105 105 SER HA H 105 4.234 4.234 4.338 -0.104 19221 7658 1 8 . 1 1 105 105 SER C C 105 177.512 177.512 176.757 0.755 19221 7659 1 8 . 1 1 105 105 SER CA C 105 62.100 62.100 60.950 1.150 19221 7660 1 8 . 1 1 105 105 SER CB C 105 62.100 62.100 62.870 -0.770 19221 7661 1 8 . 1 1 105 105 SER H H 105 8.931 8.931 8.567 0.364 19221 7662 1 8 . 1 1 106 106 PHE N N 106 123.770 123.770 121.096 2.674 19221 7663 1 8 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.362 0.065 19221 7664 1 8 . 1 1 106 106 PHE C C 106 178.007 178.007 177.467 0.540 19221 7665 1 8 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.870 -0.479 19221 7666 1 8 . 1 1 106 106 PHE CB C 106 39.130 39.130 38.631 0.499 19221 7667 1 8 . 1 1 106 106 PHE H H 106 8.040 8.040 8.072 -0.032 19221 7668 1 8 . 1 1 107 107 LEU N N 107 121.397 121.397 119.714 1.683 19221 7669 1 8 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.003 0.003 19221 7670 1 8 . 1 1 107 107 LEU C C 107 178.165 178.165 178.677 -0.512 19221 7671 1 8 . 1 1 107 107 LEU CA C 107 58.280 58.280 57.747 0.533 19221 7672 1 8 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.360 0.809 19221 7673 1 8 . 1 1 107 107 LEU H H 107 8.481 8.481 7.832 0.649 19221 7674 1 8 . 1 1 108 108 ARG N N 108 117.450 117.450 119.448 -1.998 19221 7675 1 8 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.990 0.149 19221 7676 1 8 . 1 1 108 108 ARG C C 108 178.343 178.343 178.150 0.193 19221 7677 1 8 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.873 -0.293 19221 7678 1 8 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.844 -0.674 19221 7679 1 8 . 1 1 108 108 ARG H H 108 8.480 8.480 8.495 -0.015 19221 7680 1 8 . 1 1 109 109 GLN N N 109 119.098 119.098 119.094 0.004 19221 7681 1 8 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.023 0.052 19221 7682 1 8 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.188 0.107 19221 7683 1 8 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.622 0.886 19221 7684 1 8 . 1 1 109 109 GLN H H 109 7.886 7.886 8.453 -0.567 19221 7685 1 8 . 1 1 110 110 LYS N N 110 121.110 121.110 121.581 -0.471 19221 7686 1 8 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.058 -0.070 19221 7687 1 8 . 1 1 110 110 LYS C C 110 178.368 178.368 178.742 -0.374 19221 7688 1 8 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.858 2.692 19221 7689 1 8 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.777 -1.517 19221 7690 1 8 . 1 1 110 110 LYS H H 110 8.356 8.356 8.100 0.256 19221 7691 1 8 . 1 1 111 111 ILE N N 111 116.870 116.870 119.929 -3.059 19221 7692 1 8 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.642 0.256 19221 7693 1 8 . 1 1 111 111 ILE C C 111 178.036 178.036 177.208 0.828 19221 7694 1 8 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.231 0.870 19221 7695 1 8 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.340 -0.425 19221 7696 1 8 . 1 1 111 111 ILE H H 111 7.848 7.848 8.051 -0.203 19221 7697 1 8 . 1 1 112 112 CYS N N 112 123.990 123.990 118.421 5.569 19221 7698 1 8 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.296 -0.215 19221 7699 1 8 . 1 1 112 112 CYS C C 112 176.276 176.276 176.806 -0.530 19221 7700 1 8 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.783 1.617 19221 7701 1 8 . 1 1 112 112 CYS CB C 112 27.370 27.370 28.056 -0.686 19221 7702 1 8 . 1 1 112 112 CYS H H 112 7.473 7.473 7.668 -0.195 19221 7703 1 8 . 1 1 113 113 LEU N N 113 120.218 120.218 121.777 -1.559 19221 7704 1 8 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.803 0.040 19221 7705 1 8 . 1 1 113 113 LEU C C 113 178.584 178.584 179.061 -0.477 19221 7706 1 8 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.720 -0.200 19221 7707 1 8 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.574 0.976 19221 7708 1 8 . 1 1 113 113 LEU H H 113 8.443 8.443 8.622 -0.179 19221 7709 1 8 . 1 1 114 114 MET N N 114 116.910 116.910 117.863 -0.953 19221 7710 1 8 . 1 1 114 114 MET HA H 114 3.952 3.952 4.298 -0.346 19221 7711 1 8 . 1 1 114 114 MET C C 114 178.724 178.724 178.156 0.568 19221 7712 1 8 . 1 1 114 114 MET CA C 114 60.070 60.070 59.448 0.622 19221 7713 1 8 . 1 1 114 114 MET CB C 114 32.910 32.910 32.765 0.145 19221 7714 1 8 . 1 1 114 114 MET H H 114 8.840 8.840 8.488 0.352 19221 7715 1 8 . 1 1 115 115 THR N N 115 115.670 115.670 117.832 -2.162 19221 7716 1 8 . 1 1 115 115 THR HA H 115 4.083 4.083 3.963 0.120 19221 7717 1 8 . 1 1 115 115 THR C C 115 177.434 177.434 176.685 0.749 19221 7718 1 8 . 1 1 115 115 THR CA C 115 66.740 66.740 66.957 -0.217 19221 7719 1 8 . 1 1 115 115 THR CB C 115 68.630 68.630 68.763 -0.133 19221 7720 1 8 . 1 1 115 115 THR H H 115 8.095 8.095 8.140 -0.045 19221 7721 1 8 . 1 1 116 116 LEU N N 116 125.420 125.420 123.628 1.792 19221 7722 1 8 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.054 -0.199 19221 7723 1 8 . 1 1 116 116 LEU C C 116 176.903 176.903 177.938 -1.035 19221 7724 1 8 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.098 0.838 19221 7725 1 8 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.390 0.286 19221 7726 1 8 . 1 1 116 116 LEU H H 116 8.164 8.164 8.306 -0.142 19221 7727 1 8 . 1 1 117 117 ILE N N 117 114.740 114.740 119.658 -4.918 19221 7728 1 8 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.547 0.072 19221 7729 1 8 . 1 1 117 117 ILE C C 117 177.806 177.806 178.002 -0.196 19221 7730 1 8 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.670 -1.080 19221 7731 1 8 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.504 -1.144 19221 7732 1 8 . 1 1 117 117 ILE H H 117 8.032 8.032 7.692 0.340 19221 7733 1 8 . 1 1 118 118 GLU N N 118 121.200 121.200 120.802 0.398 19221 7734 1 8 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.005 0.195 19221 7735 1 8 . 1 1 118 118 GLU C C 118 178.314 178.314 178.831 -0.517 19221 7736 1 8 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.156 -0.176 19221 7737 1 8 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.355 0.024 19221 7738 1 8 . 1 1 118 118 GLU H H 118 8.176 8.176 8.835 -0.659 19221 7739 1 8 . 1 1 119 119 THR N N 119 114.460 114.460 117.388 -2.928 19221 7740 1 8 . 1 1 119 119 THR HA H 119 3.917 3.917 4.018 -0.101 19221 7741 1 8 . 1 1 119 119 THR C C 119 175.551 175.551 177.018 -1.467 19221 7742 1 8 . 1 1 119 119 THR CA C 119 67.470 67.470 67.015 0.455 19221 7743 1 8 . 1 1 119 119 THR CB C 119 69.110 69.110 68.800 0.310 19221 7744 1 8 . 1 1 119 119 THR H H 119 8.008 8.008 8.258 -0.250 19221 7745 1 8 . 1 1 120 120 VAL N N 120 118.050 118.050 121.383 -3.333 19221 7746 1 8 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.729 -0.109 19221 7747 1 8 . 1 1 120 120 VAL C C 120 178.213 178.213 177.976 0.237 19221 7748 1 8 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.433 -0.413 19221 7749 1 8 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.179 0.651 19221 7750 1 8 . 1 1 120 120 VAL H H 120 7.800 7.800 8.282 -0.482 19221 7751 1 8 . 1 1 121 121 PHE N N 121 118.360 118.360 121.514 -3.154 19221 7752 1 8 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.168 0.052 19221 7753 1 8 . 1 1 121 121 PHE C C 121 178.739 178.739 177.927 0.812 19221 7754 1 8 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.526 0.014 19221 7755 1 8 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.256 0.874 19221 7756 1 8 . 1 1 121 121 PHE H H 121 8.370 8.370 8.427 -0.057 19221 7757 1 8 . 1 1 122 122 VAL N N 122 118.710 118.710 119.900 -1.190 19221 7758 1 8 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.656 -0.031 19221 7759 1 8 . 1 1 122 122 VAL C C 122 178.247 178.247 177.469 0.778 19221 7760 1 8 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.609 0.241 19221 7761 1 8 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.615 0.266 19221 7762 1 8 . 1 1 122 122 VAL H H 122 8.959 8.959 8.653 0.306 19221 7763 1 8 . 1 1 123 123 LYS N N 123 115.960 115.960 116.377 -0.417 19221 7764 1 8 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.288 0.028 19221 7765 1 8 . 1 1 123 123 LYS C C 123 176.148 176.148 175.987 0.161 19221 7766 1 8 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.829 0.701 19221 7767 1 8 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.438 -0.408 19221 7768 1 8 . 1 1 123 123 LYS H H 123 7.688 7.688 8.084 -0.396 19221 7769 1 8 . 1 1 124 124 ASN N N 124 117.440 117.440 116.468 0.972 19221 7770 1 8 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.348 -0.004 19221 7771 1 8 . 1 1 124 124 ASN C C 124 174.205 174.205 174.815 -0.610 19221 7772 1 8 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.809 0.111 19221 7773 1 8 . 1 1 124 124 ASN CB C 124 37.070 37.070 36.913 0.157 19221 7774 1 8 . 1 1 124 124 ASN H H 124 7.560 7.560 7.712 -0.152 19221 7775 1 8 . 1 1 125 125 ILE N N 125 116.780 116.780 117.630 -0.850 19221 7776 1 8 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.017 0.093 19221 7777 1 8 . 1 1 125 125 ILE C C 125 175.909 175.909 175.619 0.290 19221 7778 1 8 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.298 -0.728 19221 7779 1 8 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.441 1.529 19221 7780 1 8 . 1 1 125 125 ILE H H 125 7.658 7.658 7.849 -0.191 19221 7781 1 8 . 1 1 126 126 ARG N N 126 122.400 122.400 120.888 1.512 19221 7782 1 8 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.611 0.020 19221 7783 1 8 . 1 1 126 126 ARG C C 126 175.296 175.296 175.281 0.015 19221 7784 1 8 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.919 -0.709 19221 7785 1 8 . 1 1 126 126 ARG CB C 126 31.217 31.217 32.054 -0.837 19221 7786 1 8 . 1 1 126 126 ARG H H 126 8.658 8.658 8.488 0.170 19221 7787 1 8 . 1 1 127 127 MET N N 127 119.870 119.870 118.237 1.633 19221 7788 1 8 . 1 1 127 127 MET HA H 127 5.412 5.412 5.302 0.110 19221 7789 1 8 . 1 1 127 127 MET C C 127 174.169 174.169 174.451 -0.282 19221 7790 1 8 . 1 1 127 127 MET CA C 127 55.130 55.130 54.479 0.651 19221 7791 1 8 . 1 1 127 127 MET CB C 127 35.300 35.300 35.982 -0.682 19221 7792 1 8 . 1 1 127 127 MET H H 127 7.487 7.487 7.672 -0.185 19221 7793 1 8 . 1 1 128 128 LEU N N 128 124.940 124.940 123.145 1.795 19221 7794 1 8 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.898 -0.008 19221 7795 1 8 . 1 1 128 128 LEU C C 128 174.857 174.857 174.447 0.410 19221 7796 1 8 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.441 0.729 19221 7797 1 8 . 1 1 128 128 LEU CB C 128 46.090 46.090 46.997 -0.907 19221 7798 1 8 . 1 1 128 128 LEU H H 128 8.961 8.961 8.805 0.156 19221 7799 1 8 . 1 1 129 129 SER N N 129 119.080 119.080 118.116 0.964 19221 7800 1 8 . 1 1 129 129 SER HA H 129 5.503 5.503 4.960 0.543 19221 7801 1 8 . 1 1 129 129 SER C C 129 176.225 176.225 175.998 0.227 19221 7802 1 8 . 1 1 129 129 SER CA C 129 56.630 56.630 57.560 -0.930 19221 7803 1 8 . 1 1 129 129 SER CB C 129 66.030 66.030 64.655 1.375 19221 7804 1 8 . 1 1 129 129 SER H H 129 9.512 9.512 8.245 1.267 19221 7805 1 8 . 1 1 130 130 PHE N N 130 120.530 120.530 122.207 -1.677 19221 7806 1 8 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.158 0.282 19221 7807 1 8 . 1 1 130 130 PHE C C 130 179.046 179.046 177.870 1.176 19221 7808 1 8 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.448 -0.718 19221 7809 1 8 . 1 1 130 130 PHE CB C 130 36.520 36.520 37.746 -1.226 19221 7810 1 8 . 1 1 130 130 PHE H H 130 8.712 8.712 9.087 -0.375 19221 7811 1 8 . 1 1 131 131 GLU N N 131 121.180 121.180 120.256 0.924 19221 7812 1 8 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.826 0.199 19221 7813 1 8 . 1 1 131 131 GLU C C 131 178.039 178.039 178.015 0.024 19221 7814 1 8 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.092 -0.222 19221 7815 1 8 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.381 0.089 19221 7816 1 8 . 1 1 131 131 GLU H H 131 8.961 8.961 8.552 0.409 19221 7817 1 8 . 1 1 132 132 ASP N N 132 120.930 120.930 119.725 1.205 19221 7818 1 8 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.442 -0.045 19221 7819 1 8 . 1 1 132 132 ASP C C 132 180.369 180.369 178.751 1.618 19221 7820 1 8 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.272 0.418 19221 7821 1 8 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.911 -0.171 19221 7822 1 8 . 1 1 132 132 ASP H H 132 8.369 8.369 7.794 0.575 19221 7823 1 8 . 1 1 133 133 ILE N N 133 120.360 120.360 120.027 0.333 19221 7824 1 8 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.640 -0.131 19221 7825 1 8 . 1 1 133 133 ILE C C 133 178.895 178.895 178.141 0.754 19221 7826 1 8 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.218 1.062 19221 7827 1 8 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.867 -0.337 19221 7828 1 8 . 1 1 133 133 ILE H H 133 8.062 8.062 8.155 -0.093 19221 7829 1 8 . 1 1 134 134 SER N N 134 120.050 120.050 116.921 3.129 19221 7830 1 8 . 1 1 134 134 SER HA H 134 4.074 4.074 4.257 -0.183 19221 7831 1 8 . 1 1 134 134 SER C C 134 176.934 176.934 176.166 0.768 19221 7832 1 8 . 1 1 134 134 SER CA C 134 61.240 61.240 61.535 -0.295 19221 7833 1 8 . 1 1 134 134 SER CB C 134 63.400 63.400 62.910 0.490 19221 7834 1 8 . 1 1 134 134 SER H H 134 8.823 8.823 8.373 0.450 19221 7835 1 8 . 1 1 135 135 LYS N N 135 119.060 119.060 120.978 -1.918 19221 7836 1 8 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.967 -0.037 19221 7837 1 8 . 1 1 135 135 LYS C C 135 178.986 178.986 178.679 0.307 19221 7838 1 8 . 1 1 135 135 LYS CA C 135 59.270 59.270 59.024 0.246 19221 7839 1 8 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.379 0.091 19221 7840 1 8 . 1 1 135 135 LYS H H 135 8.258 8.258 7.825 0.433 19221 7841 1 8 . 1 1 136 136 ALA N N 136 118.350 118.350 119.070 -0.720 19221 7842 1 8 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.163 0.039 19221 7843 1 8 . 1 1 136 136 ALA C C 136 178.653 178.653 177.412 1.241 19221 7844 1 8 . 1 1 136 136 ALA CA C 136 54.480 54.480 53.654 0.826 19221 7845 1 8 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.029 -0.188 19221 7846 1 8 . 1 1 136 136 ALA H H 136 7.538 7.538 7.991 -0.453 19221 7847 1 8 . 1 1 137 137 THR N N 137 101.770 101.770 107.691 -5.921 19221 7848 1 8 . 1 1 137 137 THR HA H 137 4.274 4.274 4.379 -0.105 19221 7849 1 8 . 1 1 137 137 THR C C 137 172.932 172.932 175.104 -2.172 19221 7850 1 8 . 1 1 137 137 THR CA C 137 61.990 61.990 61.906 0.084 19221 7851 1 8 . 1 1 137 137 THR CB C 137 71.200 71.200 71.298 -0.098 19221 7852 1 8 . 1 1 137 137 THR H H 137 7.777 7.777 7.302 0.475 19221 7853 1 8 . 1 1 138 138 HIS N N 138 113.660 113.660 118.371 -4.711 19221 7854 1 8 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.164 -0.205 19221 7855 1 8 . 1 1 138 138 HIS C C 138 173.700 173.700 173.799 -0.099 19221 7856 1 8 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.797 -1.467 19221 7857 1 8 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.851 -2.441 19221 7858 1 8 . 1 1 138 138 HIS H H 138 7.567 7.567 8.231 -0.664 19221 7859 1 8 . 1 1 139 139 LEU N N 139 120.070 120.070 120.881 -0.811 19221 7860 1 8 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.781 0.062 19221 7861 1 8 . 1 1 139 139 LEU C C 139 174.376 174.376 175.542 -1.166 19221 7862 1 8 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.103 -0.233 19221 7863 1 8 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.589 2.161 19221 7864 1 8 . 1 1 139 139 LEU H H 139 7.513 7.513 7.494 0.019 19221 7865 1 8 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.551 -0.160 19221 7866 1 8 . 1 1 140 140 PRO C C 140 177.985 177.985 178.285 -0.300 19221 7867 1 8 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.422 -0.032 19221 7868 1 8 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.432 -0.362 19221 7869 1 8 . 1 1 141 141 LYS N N 141 123.930 123.930 121.299 2.631 19221 7870 1 8 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.799 0.020 19221 7871 1 8 . 1 1 141 141 LYS C C 141 178.083 178.083 178.004 0.079 19221 7872 1 8 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.449 0.381 19221 7873 1 8 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.086 -0.196 19221 7874 1 8 . 1 1 141 141 LYS H H 141 8.950 8.950 8.661 0.289 19221 7875 1 8 . 1 1 142 142 ASP N N 142 114.510 114.510 115.066 -0.556 19221 7876 1 8 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.445 0.050 19221 7877 1 8 . 1 1 142 142 ASP C C 142 176.656 176.656 176.994 -0.338 19221 7878 1 8 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.347 -0.757 19221 7879 1 8 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.724 -0.984 19221 7880 1 8 . 1 1 142 142 ASP H H 142 8.491 8.491 8.451 0.040 19221 7881 1 8 . 1 1 143 143 ASN N N 143 116.400 116.400 115.316 1.084 19221 7882 1 8 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.813 0.253 19221 7883 1 8 . 1 1 143 143 ASN C C 143 175.954 175.954 176.639 -0.685 19221 7884 1 8 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.794 -0.573 19221 7885 1 8 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.546 0.404 19221 7886 1 8 . 1 1 143 143 ASN H H 143 8.191 8.191 7.879 0.312 19221 7887 1 8 . 1 1 144 144 VAL N N 144 120.490 120.490 121.398 -0.908 19221 7888 1 8 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.414 -0.091 19221 7889 1 8 . 1 1 144 144 VAL C C 144 176.423 176.423 176.664 -0.241 19221 7890 1 8 . 1 1 144 144 VAL CA C 144 66.990 66.990 67.114 -0.124 19221 7891 1 8 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.719 -0.279 19221 7892 1 8 . 1 1 144 144 VAL H H 144 7.472 7.472 8.087 -0.615 19221 7893 1 8 . 1 1 145 145 GLU N N 145 122.340 122.340 117.743 4.597 19221 7894 1 8 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.652 -0.391 19221 7895 1 8 . 1 1 145 145 GLU C C 145 177.853 177.853 178.444 -0.591 19221 7896 1 8 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.237 1.593 19221 7897 1 8 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.535 0.275 19221 7898 1 8 . 1 1 145 145 GLU H H 145 9.141 9.141 7.913 1.228 19221 7899 1 8 . 1 1 146 146 HIS N N 146 116.970 116.970 119.098 -2.128 19221 7900 1 8 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.322 -0.148 19221 7901 1 8 . 1 1 146 146 HIS C C 146 177.947 177.947 177.300 0.647 19221 7902 1 8 . 1 1 146 146 HIS CA C 146 59.540 59.540 59.472 0.068 19221 7903 1 8 . 1 1 146 146 HIS CB C 146 30.450 30.450 30.258 0.192 19221 7904 1 8 . 1 1 146 146 HIS H H 146 8.162 8.162 7.671 0.491 19221 7905 1 8 . 1 1 147 147 LEU N N 147 120.670 120.670 121.168 -0.498 19221 7906 1 8 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.109 -0.149 19221 7907 1 8 . 1 1 147 147 LEU C C 147 178.427 178.427 178.822 -0.395 19221 7908 1 8 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.224 0.046 19221 7909 1 8 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.519 0.217 19221 7910 1 8 . 1 1 147 147 LEU H H 147 7.336 7.336 7.743 -0.407 19221 7911 1 8 . 1 1 148 148 VAL N N 148 118.060 118.060 116.456 1.604 19221 7912 1 8 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.717 -0.494 19221 7913 1 8 . 1 1 148 148 VAL C C 148 177.801 177.801 177.938 -0.137 19221 7914 1 8 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.989 0.972 19221 7915 1 8 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.092 -0.082 19221 7916 1 8 . 1 1 148 148 VAL H H 148 8.172 8.172 7.877 0.295 19221 7917 1 8 . 1 1 149 149 MET N N 149 117.770 117.770 119.612 -1.842 19221 7918 1 8 . 1 1 149 149 MET HA H 149 4.123 4.123 4.039 0.084 19221 7919 1 8 . 1 1 149 149 MET C C 149 179.823 179.823 178.650 1.173 19221 7920 1 8 . 1 1 149 149 MET CA C 149 58.630 58.630 59.474 -0.843 19221 7921 1 8 . 1 1 149 149 MET CB C 149 31.496 31.496 31.902 -0.406 19221 7922 1 8 . 1 1 149 149 MET H H 149 8.585 8.585 8.454 0.131 19221 7923 1 8 . 1 1 150 150 ARG N N 150 121.900 121.900 119.541 2.359 19221 7924 1 8 . 1 1 150 150 ARG HA H 150 4.094 4.094 3.999 0.095 19221 7925 1 8 . 1 1 150 150 ARG C C 150 177.928 177.928 178.268 -0.340 19221 7926 1 8 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.434 -1.284 19221 7927 1 8 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.806 -1.056 19221 7928 1 8 . 1 1 150 150 ARG H H 150 8.160 8.160 8.380 -0.220 19221 7929 1 8 . 1 1 151 151 ALA N N 151 121.710 121.710 122.436 -0.726 19221 7930 1 8 . 1 1 151 151 ALA HA H 151 3.798 3.798 4.065 -0.267 19221 7931 1 8 . 1 1 151 151 ALA C C 151 179.518 179.518 179.868 -0.350 19221 7932 1 8 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.111 0.629 19221 7933 1 8 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.074 -0.184 19221 7934 1 8 . 1 1 151 151 ALA H H 151 8.165 8.165 7.699 0.466 19221 7935 1 8 . 1 1 152 152 ILE N N 152 118.590 118.590 118.385 0.205 19221 7936 1 8 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.756 0.626 19221 7937 1 8 . 1 1 152 152 ILE C C 152 181.439 181.439 179.235 2.204 19221 7938 1 8 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.729 -0.169 19221 7939 1 8 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.923 0.777 19221 7940 1 8 . 1 1 152 152 ILE H H 152 8.331 8.331 8.423 -0.092 19221 7941 1 8 . 1 1 153 153 SER N N 153 120.250 120.250 116.258 3.992 19221 7942 1 8 . 1 1 153 153 SER HA H 153 4.279 4.279 4.210 0.069 19221 7943 1 8 . 1 1 153 153 SER C C 153 176.745 176.745 176.223 0.522 19221 7944 1 8 . 1 1 153 153 SER CA C 153 62.040 62.040 61.561 0.479 19221 7945 1 8 . 1 1 153 153 SER CB C 153 62.930 62.930 63.092 -0.162 19221 7946 1 8 . 1 1 153 153 SER H H 153 8.756 8.756 8.277 0.479 19221 7947 1 8 . 1 1 154 154 LEU N N 154 119.480 119.480 119.364 0.116 19221 7948 1 8 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.147 0.198 19221 7949 1 8 . 1 1 154 154 LEU C C 154 177.351 177.351 177.528 -0.177 19221 7950 1 8 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.608 -0.152 19221 7951 1 8 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.938 2.062 19221 7952 1 8 . 1 1 154 154 LEU H H 154 8.129 8.129 8.254 -0.125 19221 7953 1 8 . 1 1 155 155 GLY N N 155 106.990 106.990 106.737 0.253 19221 7954 1 8 . 1 1 155 155 GLY C C 155 174.867 174.867 175.445 -0.578 19221 7955 1 8 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.254 -0.454 19221 7956 1 8 . 1 1 155 155 GLY H H 155 8.023 8.023 7.866 0.157 19221 7957 1 8 . 1 1 156 156 LEU N N 156 116.510 116.510 117.980 -1.470 19221 7958 1 8 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.285 -0.025 19221 7959 1 8 . 1 1 156 156 LEU C C 156 175.387 175.387 176.497 -1.110 19221 7960 1 8 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.049 -0.119 19221 7961 1 8 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.218 1.002 19221 7962 1 8 . 1 1 156 156 LEU H H 156 8.101 8.101 7.593 0.508 19221 7963 1 8 . 1 1 157 157 LEU N N 157 112.790 112.790 110.099 2.691 19221 7964 1 8 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.225 -0.225 19221 7965 1 8 . 1 1 157 157 LEU C C 157 175.382 175.382 175.442 -0.060 19221 7966 1 8 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.034 0.606 19221 7967 1 8 . 1 1 157 157 LEU CB C 157 46.560 46.560 46.006 0.554 19221 7968 1 8 . 1 1 157 157 LEU H H 157 7.194 7.194 7.305 -0.111 19221 7969 1 8 . 1 1 158 158 LYS N N 158 121.010 121.010 120.611 0.399 19221 7970 1 8 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.772 0.023 19221 7971 1 8 . 1 1 158 158 LYS C C 158 175.461 175.461 175.565 -0.104 19221 7972 1 8 . 1 1 158 158 LYS CA C 158 56.060 56.060 54.894 1.166 19221 7973 1 8 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.286 2.904 19221 7974 1 8 . 1 1 158 158 LYS H H 158 9.056 9.056 8.793 0.263 19221 7975 1 8 . 1 1 159 159 GLY N N 159 109.800 109.800 110.657 -0.857 19221 7976 1 8 . 1 1 159 159 GLY C C 159 170.992 170.992 172.842 -1.850 19221 7977 1 8 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.568 0.572 19221 7978 1 8 . 1 1 159 159 GLY H H 159 8.287 8.287 8.024 0.263 19221 7979 1 8 . 1 1 160 160 SER N N 160 112.940 112.940 114.706 -1.766 19221 7980 1 8 . 1 1 160 160 SER HA H 160 4.780 4.780 4.735 0.045 19221 7981 1 8 . 1 1 160 160 SER C C 160 172.525 172.525 173.286 -0.761 19221 7982 1 8 . 1 1 160 160 SER CA C 160 56.840 56.840 57.383 -0.543 19221 7983 1 8 . 1 1 160 160 SER CB C 160 65.660 65.660 66.251 -0.591 19221 7984 1 8 . 1 1 160 160 SER H H 160 8.847 8.847 8.799 0.048 19221 7985 1 8 . 1 1 161 161 ILE N N 161 123.020 123.020 123.210 -0.190 19221 7986 1 8 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.111 0.295 19221 7987 1 8 . 1 1 161 161 ILE C C 161 174.457 174.457 176.031 -1.574 19221 7988 1 8 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.362 0.057 19221 7989 1 8 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.652 1.576 19221 7990 1 8 . 1 1 161 161 ILE H H 161 8.867 8.867 8.641 0.226 19221 7991 1 8 . 1 1 162 162 ASP N N 162 128.130 128.130 128.118 0.012 19221 7992 1 8 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.858 0.058 19221 7993 1 8 . 1 1 162 162 ASP C C 162 176.575 176.575 176.263 0.312 19221 7994 1 8 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.700 -0.960 19221 7995 1 8 . 1 1 162 162 ASP CB C 162 41.140 41.140 41.275 -0.135 19221 7996 1 8 . 1 1 162 162 ASP H H 162 8.955 8.955 8.666 0.289 19221 7997 1 8 . 1 1 163 163 GLN N N 163 123.480 123.480 124.158 -0.678 19221 7998 1 8 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.185 -0.332 19221 7999 1 8 . 1 1 163 163 GLN C C 163 177.627 177.627 178.015 -0.388 19221 8000 1 8 . 1 1 163 163 GLN CA C 163 59.210 59.210 59.261 -0.051 19221 8001 1 8 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.676 0.244 19221 8002 1 8 . 1 1 163 163 GLN H H 163 8.982 8.982 8.850 0.132 19221 8003 1 8 . 1 1 164 164 VAL N N 164 119.220 119.220 120.583 -1.363 19221 8004 1 8 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.735 -0.052 19221 8005 1 8 . 1 1 164 164 VAL C C 164 177.519 177.519 177.463 0.056 19221 8006 1 8 . 1 1 164 164 VAL CA C 164 65.770 65.770 65.323 0.447 19221 8007 1 8 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.576 0.353 19221 8008 1 8 . 1 1 164 164 VAL H H 164 7.974 7.974 8.034 -0.060 19221 8009 1 8 . 1 1 165 165 ASN N N 165 114.430 114.430 116.812 -2.382 19221 8010 1 8 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.604 -0.003 19221 8011 1 8 . 1 1 165 165 ASN C C 165 172.795 172.795 174.444 -1.649 19221 8012 1 8 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.509 -0.609 19221 8013 1 8 . 1 1 165 165 ASN CB C 165 38.830 38.830 38.902 -0.072 19221 8014 1 8 . 1 1 165 165 ASN H H 165 7.502 7.502 8.251 -0.749 19221 8015 1 8 . 1 1 166 166 GLU N N 166 116.970 116.970 113.408 3.562 19221 8016 1 8 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.817 -0.803 19221 8017 1 8 . 1 1 166 166 GLU C C 166 174.562 174.562 173.562 1.000 19221 8018 1 8 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.758 -0.530 19221 8019 1 8 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.000 -0.184 19221 8020 1 8 . 1 1 166 166 GLU H H 166 7.268 7.268 7.588 -0.320 19221 8021 1 8 . 1 1 167 167 LEU N N 167 117.360 117.360 116.789 0.571 19221 8022 1 8 . 1 1 167 167 LEU HA H 167 4.998 4.998 4.944 0.054 19221 8023 1 8 . 1 1 167 167 LEU C C 167 175.659 175.659 175.180 0.479 19221 8024 1 8 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.672 -0.002 19221 8025 1 8 . 1 1 167 167 LEU CB C 167 47.310 47.310 47.355 -0.045 19221 8026 1 8 . 1 1 167 167 LEU H H 167 7.699 7.699 7.571 0.128 19221 8027 1 8 . 1 1 168 168 VAL N N 168 125.350 125.350 117.529 7.821 19221 8028 1 8 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.791 0.048 19221 8029 1 8 . 1 1 168 168 VAL C C 168 174.792 174.792 174.693 0.099 19221 8030 1 8 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.836 0.294 19221 8031 1 8 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.054 -1.706 19221 8032 1 8 . 1 1 168 168 VAL H H 168 9.445 9.445 9.029 0.416 19221 8033 1 8 . 1 1 169 169 THR N N 169 123.020 123.020 121.497 1.523 19221 8034 1 8 . 1 1 169 169 THR HA H 169 4.869 4.869 5.196 -0.327 19221 8035 1 8 . 1 1 169 169 THR C C 169 173.876 173.876 173.479 0.397 19221 8036 1 8 . 1 1 169 169 THR CA C 169 61.580 61.580 61.537 0.043 19221 8037 1 8 . 1 1 169 169 THR CB C 169 69.750 69.750 69.871 -0.121 19221 8038 1 8 . 1 1 169 169 THR H H 169 8.824 8.824 9.030 -0.206 19221 8039 1 8 . 1 1 170 170 ILE N N 170 126.700 126.700 127.219 -0.519 19221 8040 1 8 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.541 0.001 19221 8041 1 8 . 1 1 170 170 ILE C C 170 175.672 175.672 175.233 0.439 19221 8042 1 8 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.228 0.102 19221 8043 1 8 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.547 -0.937 19221 8044 1 8 . 1 1 170 170 ILE H H 170 8.911 8.911 8.775 0.136 19221 8045 1 8 . 1 1 171 171 SER N N 171 122.780 122.780 118.528 4.252 19221 8046 1 8 . 1 1 171 171 SER HA H 171 4.670 4.670 4.741 -0.071 19221 8047 1 8 . 1 1 171 171 SER C C 171 174.700 174.700 173.474 1.226 19221 8048 1 8 . 1 1 171 171 SER CA C 171 58.280 58.280 58.884 -0.604 19221 8049 1 8 . 1 1 171 171 SER CB C 171 64.560 64.560 65.658 -1.098 19221 8050 1 8 . 1 1 171 171 SER H H 171 9.242 9.242 9.116 0.126 19221 8051 1 8 . 1 1 172 172 TRP N N 172 123.970 123.970 120.714 3.256 19221 8052 1 8 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.888 -0.253 19221 8053 1 8 . 1 1 172 172 TRP C C 172 172.618 172.618 173.409 -0.791 19221 8054 1 8 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.125 0.785 19221 8055 1 8 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.308 -0.658 19221 8056 1 8 . 1 1 172 172 TRP H H 172 7.929 7.929 7.552 0.377 19221 8057 1 8 . 1 1 173 173 VAL N N 173 123.660 123.660 120.239 3.421 19221 8058 1 8 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.478 -0.348 19221 8059 1 8 . 1 1 173 173 VAL C C 173 170.746 170.746 173.633 -2.887 19221 8060 1 8 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.573 -0.473 19221 8061 1 8 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.135 0.085 19221 8062 1 8 . 1 1 173 173 VAL H H 173 6.764 6.764 7.501 -0.737 19221 8063 1 8 . 1 1 174 174 GLN N N 174 126.430 126.430 122.918 3.512 19221 8064 1 8 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.794 -0.188 19221 8065 1 8 . 1 1 174 174 GLN C C 174 172.955 172.955 174.185 -1.230 19221 8066 1 8 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.125 -0.075 19221 8067 1 8 . 1 1 174 174 GLN CB C 174 29.760 29.760 27.247 2.513 19221 8068 1 8 . 1 1 174 174 GLN H H 174 7.071 7.071 8.043 -0.972 19221 8069 1 8 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.194 -0.333 19221 8070 1 8 . 1 1 175 175 PRO C C 175 175.955 175.955 176.368 -0.413 19221 8071 1 8 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.557 -0.807 19221 8072 1 8 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.052 0.348 19221 8073 1 9 . 1 1 2 2 LYS HA H 2 4.140 4.140 3.894 0.246 19221 8074 1 9 . 1 1 2 2 LYS CA C 2 56.090 56.090 58.286 -2.196 19221 8075 1 9 . 1 1 2 2 LYS CB C 2 32.930 32.930 32.000 0.930 19221 8076 1 9 . 1 1 4 4 ASP C C 4 176.140 176.140 177.672 -1.532 19221 8077 1 9 . 1 1 4 4 ASP CA C 4 55.530 55.530 54.347 1.183 19221 8078 1 9 . 1 1 4 4 ASP CB C 4 41.980 41.980 41.524 0.456 19221 8079 1 9 . 1 1 5 5 PHE N N 5 122.270 122.270 126.397 -4.127 19221 8080 1 9 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.170 0.009 19221 8081 1 9 . 1 1 5 5 PHE C C 5 177.706 177.706 177.404 0.302 19221 8082 1 9 . 1 1 5 5 PHE CA C 5 61.880 61.880 62.194 -0.314 19221 8083 1 9 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.904 -0.004 19221 8084 1 9 . 1 1 5 5 PHE H H 5 7.853 7.853 8.785 -0.932 19221 8085 1 9 . 1 1 6 6 ASN N N 6 114.920 114.920 116.798 -1.878 19221 8086 1 9 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.681 -0.280 19221 8087 1 9 . 1 1 6 6 ASN C C 6 176.990 176.990 177.162 -0.172 19221 8088 1 9 . 1 1 6 6 ASN CA C 6 56.470 56.470 55.739 0.731 19221 8089 1 9 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.685 0.537 19221 8090 1 9 . 1 1 6 6 ASN H H 6 8.051 8.051 8.608 -0.557 19221 8091 1 9 . 1 1 7 7 SER N N 7 112.970 112.970 116.256 -3.286 19221 8092 1 9 . 1 1 7 7 SER HA H 7 4.435 4.435 4.496 -0.061 19221 8093 1 9 . 1 1 7 7 SER C C 7 177.780 177.780 176.446 1.334 19221 8094 1 9 . 1 1 7 7 SER CA C 7 61.440 61.440 61.843 -0.403 19221 8095 1 9 . 1 1 7 7 SER CB C 7 62.770 62.770 63.477 -0.707 19221 8096 1 9 . 1 1 7 7 SER H H 7 8.041 8.041 8.444 -0.403 19221 8097 1 9 . 1 1 8 8 PHE N N 8 123.560 123.560 124.503 -0.943 19221 8098 1 9 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.270 -0.203 19221 8099 1 9 . 1 1 8 8 PHE C C 8 177.959 177.959 177.162 0.797 19221 8100 1 9 . 1 1 8 8 PHE CA C 8 62.110 62.110 60.493 1.617 19221 8101 1 9 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.117 -0.151 19221 8102 1 9 . 1 1 8 8 PHE H H 8 8.364 8.364 8.474 -0.110 19221 8103 1 9 . 1 1 9 9 TYR N N 9 122.550 122.550 121.530 1.020 19221 8104 1 9 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.852 0.148 19221 8105 1 9 . 1 1 9 9 TYR C C 9 176.360 176.360 176.957 -0.597 19221 8106 1 9 . 1 1 9 9 TYR CA C 9 62.010 62.010 61.928 0.082 19221 8107 1 9 . 1 1 9 9 TYR CB C 9 38.200 38.200 37.757 0.443 19221 8108 1 9 . 1 1 9 9 TYR H H 9 8.230 8.230 8.765 -0.535 19221 8109 1 9 . 1 1 10 10 TYR N N 10 115.490 115.490 115.213 0.277 19221 8110 1 9 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.991 0.115 19221 8111 1 9 . 1 1 10 10 TYR C C 10 180.280 180.280 178.044 2.236 19221 8112 1 9 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.700 0.820 19221 8113 1 9 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.035 -0.105 19221 8114 1 9 . 1 1 10 10 TYR H H 10 7.958 7.958 8.061 -0.103 19221 8115 1 9 . 1 1 11 11 THR N N 11 115.140 115.140 117.855 -2.715 19221 8116 1 9 . 1 1 11 11 THR HA H 11 3.934 3.934 3.698 0.236 19221 8117 1 9 . 1 1 11 11 THR CA C 11 66.560 66.560 66.838 -0.278 19221 8118 1 9 . 1 1 11 11 THR CB C 11 68.750 68.750 67.799 0.951 19221 8119 1 9 . 1 1 11 11 THR H H 11 8.806 8.806 7.461 1.345 19221 8120 1 9 . 1 1 12 12 SER N N 12 120.384 120.384 118.139 2.245 19221 8121 1 9 . 1 1 12 12 SER HA H 12 3.346 3.346 4.072 -0.726 19221 8122 1 9 . 1 1 12 12 SER C C 12 175.891 175.891 176.610 -0.719 19221 8123 1 9 . 1 1 12 12 SER CA C 12 62.740 62.740 61.844 0.896 19221 8124 1 9 . 1 1 12 12 SER CB C 12 62.580 62.580 63.021 -0.441 19221 8125 1 9 . 1 1 12 12 SER H H 12 8.151 8.151 8.049 0.102 19221 8126 1 9 . 1 1 13 13 LEU N N 13 121.640 121.640 122.103 -0.463 19221 8127 1 9 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.964 -0.163 19221 8128 1 9 . 1 1 13 13 LEU C C 13 180.374 180.374 178.779 1.595 19221 8129 1 9 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.518 0.832 19221 8130 1 9 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.554 -0.145 19221 8131 1 9 . 1 1 13 13 LEU H H 13 7.893 7.893 8.086 -0.193 19221 8132 1 9 . 1 1 14 14 LEU N N 14 120.470 120.470 121.357 -0.887 19221 8133 1 9 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.907 0.254 19221 8134 1 9 . 1 1 14 14 LEU C C 14 179.880 179.880 178.324 1.556 19221 8135 1 9 . 1 1 14 14 LEU CA C 14 58.000 58.000 58.330 -0.330 19221 8136 1 9 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.036 0.514 19221 8137 1 9 . 1 1 14 14 LEU H H 14 7.528 7.528 8.399 -0.871 19221 8138 1 9 . 1 1 15 15 TYR N N 15 122.257 122.257 119.900 2.357 19221 8139 1 9 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.220 0.045 19221 8140 1 9 . 1 1 15 15 TYR C C 15 177.033 177.033 178.410 -1.377 19221 8141 1 9 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.314 -0.584 19221 8142 1 9 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.370 -0.270 19221 8143 1 9 . 1 1 15 15 TYR H H 15 8.135 8.135 8.244 -0.109 19221 8144 1 9 . 1 1 16 16 LEU N N 16 118.440 118.440 118.889 -0.449 19221 8145 1 9 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.735 0.070 19221 8146 1 9 . 1 1 16 16 LEU C C 16 179.055 179.055 179.176 -0.121 19221 8147 1 9 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.594 -0.381 19221 8148 1 9 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.512 0.553 19221 8149 1 9 . 1 1 16 16 LEU H H 16 8.452 8.452 7.650 0.802 19221 8150 1 9 . 1 1 17 17 SER N N 17 114.450 114.450 114.982 -0.532 19221 8151 1 9 . 1 1 17 17 SER HA H 17 4.430 4.430 4.290 0.140 19221 8152 1 9 . 1 1 17 17 SER C C 17 175.197 175.197 176.124 -0.927 19221 8153 1 9 . 1 1 17 17 SER CA C 17 61.040 61.040 61.319 -0.279 19221 8154 1 9 . 1 1 17 17 SER CB C 17 63.460 63.460 63.215 0.245 19221 8155 1 9 . 1 1 17 17 SER H H 17 7.848 7.848 8.438 -0.590 19221 8156 1 9 . 1 1 18 18 THR N N 18 110.850 110.850 113.917 -3.067 19221 8157 1 9 . 1 1 18 18 THR HA H 18 4.452 4.452 4.220 0.232 19221 8158 1 9 . 1 1 18 18 THR C C 18 174.439 174.439 174.544 -0.105 19221 8159 1 9 . 1 1 18 18 THR CA C 18 61.421 61.421 63.283 -1.862 19221 8160 1 9 . 1 1 18 18 THR CB C 18 69.940 69.940 69.044 0.896 19221 8161 1 9 . 1 1 18 18 THR H H 18 7.505 7.505 7.908 -0.403 19221 8162 1 9 . 1 1 19 19 LEU N N 19 123.180 123.180 119.789 3.391 19221 8163 1 9 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.422 -0.262 19221 8164 1 9 . 1 1 19 19 LEU C C 19 176.926 176.926 174.208 2.718 19221 8165 1 9 . 1 1 19 19 LEU CA C 19 55.290 55.290 53.501 1.789 19221 8166 1 9 . 1 1 19 19 LEU CB C 19 42.448 42.448 45.218 -2.770 19221 8167 1 9 . 1 1 19 19 LEU H H 19 7.095 7.095 7.432 -0.337 19221 8168 1 9 . 1 1 20 20 GLU N N 20 125.330 125.330 117.941 7.389 19221 8169 1 9 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.803 -0.195 19221 8170 1 9 . 1 1 20 20 GLU C C 20 175.915 175.915 175.019 0.896 19221 8171 1 9 . 1 1 20 20 GLU CA C 20 54.773 54.773 53.597 1.176 19221 8172 1 9 . 1 1 20 20 GLU CB C 20 29.590 29.590 31.819 -2.229 19221 8173 1 9 . 1 1 20 20 GLU H H 20 8.535 8.535 8.346 0.189 19221 8174 1 9 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.426 -0.093 19221 8175 1 9 . 1 1 21 21 PRO C C 21 177.196 177.196 178.091 -0.895 19221 8176 1 9 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.708 0.072 19221 8177 1 9 . 1 1 21 21 PRO CB C 21 31.850 31.850 32.139 -0.288 19221 8178 1 9 . 1 1 22 22 SER N N 22 111.220 111.220 114.888 -3.668 19221 8179 1 9 . 1 1 22 22 SER HA H 22 4.398 4.398 4.280 0.118 19221 8180 1 9 . 1 1 22 22 SER C C 22 175.056 175.056 175.389 -0.333 19221 8181 1 9 . 1 1 22 22 SER CA C 22 58.530 58.530 60.622 -2.092 19221 8182 1 9 . 1 1 22 22 SER CB C 22 63.500 63.500 63.092 0.408 19221 8183 1 9 . 1 1 22 22 SER H H 22 7.967 7.967 8.633 -0.666 19221 8184 1 9 . 1 1 23 23 THR N N 23 117.440 117.440 109.332 8.108 19221 8185 1 9 . 1 1 23 23 THR HA H 23 4.279 4.279 4.521 -0.242 19221 8186 1 9 . 1 1 23 23 THR C C 23 174.573 174.573 174.413 0.160 19221 8187 1 9 . 1 1 23 23 THR CA C 23 62.920 62.920 61.281 1.639 19221 8188 1 9 . 1 1 23 23 THR CB C 23 69.260 69.260 70.321 -1.061 19221 8189 1 9 . 1 1 23 23 THR H H 23 7.936 7.936 7.717 0.219 19221 8190 1 9 . 1 1 24 24 SER N N 24 119.820 119.820 118.792 1.028 19221 8191 1 9 . 1 1 24 24 SER HA H 24 4.485 4.485 4.383 0.102 19221 8192 1 9 . 1 1 24 24 SER C C 24 174.082 174.082 175.271 -1.189 19221 8193 1 9 . 1 1 24 24 SER CA C 24 58.600 58.600 57.768 0.832 19221 8194 1 9 . 1 1 24 24 SER CB C 24 63.430 63.430 64.119 -0.689 19221 8195 1 9 . 1 1 24 24 SER H H 24 8.438 8.438 7.810 0.628 19221 8196 1 9 . 1 1 25 25 ILE N N 25 123.140 123.140 118.408 4.732 19221 8197 1 9 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.064 0.415 19221 8198 1 9 . 1 1 25 25 ILE C C 25 176.472 176.472 176.027 0.445 19221 8199 1 9 . 1 1 25 25 ILE CA C 25 61.010 61.010 61.337 -0.327 19221 8200 1 9 . 1 1 25 25 ILE CB C 25 39.460 39.460 37.959 1.500 19221 8201 1 9 . 1 1 25 25 ILE H H 25 7.870 7.870 8.145 -0.275 19221 8202 1 9 . 1 1 26 26 THR N N 26 118.120 118.120 113.011 5.109 19221 8203 1 9 . 1 1 26 26 THR HA H 26 4.394 4.394 4.268 0.126 19221 8204 1 9 . 1 1 26 26 THR C C 26 175.540 175.540 175.676 -0.136 19221 8205 1 9 . 1 1 26 26 THR CA C 26 61.890 61.890 61.489 0.401 19221 8206 1 9 . 1 1 26 26 THR CB C 26 71.320 71.320 69.781 1.539 19221 8207 1 9 . 1 1 26 26 THR H H 26 8.649 8.649 8.100 0.549 19221 8208 1 9 . 1 1 27 27 LEU N N 27 123.130 123.130 122.762 0.368 19221 8209 1 9 . 1 1 27 27 LEU HA H 27 4.089 4.089 3.966 0.123 19221 8210 1 9 . 1 1 27 27 LEU C C 27 178.653 178.653 178.399 0.254 19221 8211 1 9 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.423 0.336 19221 8212 1 9 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.456 -0.276 19221 8213 1 9 . 1 1 27 27 LEU H H 27 8.766 8.766 8.614 0.152 19221 8214 1 9 . 1 1 28 28 ALA N N 28 119.510 119.510 119.533 -0.023 19221 8215 1 9 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.053 0.210 19221 8216 1 9 . 1 1 28 28 ALA C C 28 178.218 178.218 179.784 -1.566 19221 8217 1 9 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.988 0.332 19221 8218 1 9 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.116 0.004 19221 8219 1 9 . 1 1 28 28 ALA H H 28 8.546 8.546 8.367 0.179 19221 8220 1 9 . 1 1 29 29 GLU N N 29 118.210 118.210 117.943 0.267 19221 8221 1 9 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.171 -0.090 19221 8222 1 9 . 1 1 29 29 GLU C C 29 179.929 179.929 179.290 0.639 19221 8223 1 9 . 1 1 29 29 GLU CA C 29 59.300 59.300 58.654 0.646 19221 8224 1 9 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.572 0.504 19221 8225 1 9 . 1 1 29 29 GLU H H 29 7.719 7.719 7.672 0.047 19221 8226 1 9 . 1 1 30 30 ARG N N 30 121.350 121.350 120.715 0.635 19221 8227 1 9 . 1 1 30 30 ARG HA H 30 3.959 3.959 3.989 -0.030 19221 8228 1 9 . 1 1 30 30 ARG C C 30 177.538 177.538 178.922 -1.384 19221 8229 1 9 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.828 0.817 19221 8230 1 9 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.048 0.952 19221 8231 1 9 . 1 1 30 30 ARG H H 30 8.410 8.410 8.687 -0.277 19221 8232 1 9 . 1 1 31 31 GLN N N 31 117.670 117.670 117.710 -0.040 19221 8233 1 9 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.088 -0.136 19221 8234 1 9 . 1 1 31 31 GLN C C 31 178.220 178.220 178.772 -0.552 19221 8235 1 9 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.279 -0.324 19221 8236 1 9 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.539 0.091 19221 8237 1 9 . 1 1 31 31 GLN H H 31 8.742 8.742 8.478 0.264 19221 8238 1 9 . 1 1 32 32 GLN N N 32 117.910 117.910 118.675 -0.765 19221 8239 1 9 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.245 -0.258 19221 8240 1 9 . 1 1 32 32 GLN C C 32 177.712 177.712 178.652 -0.940 19221 8241 1 9 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.064 0.266 19221 8242 1 9 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.236 0.084 19221 8243 1 9 . 1 1 32 32 GLN H H 32 7.732 7.732 7.778 -0.046 19221 8244 1 9 . 1 1 33 33 LEU N N 33 119.680 119.680 121.859 -2.179 19221 8245 1 9 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.129 0.275 19221 8246 1 9 . 1 1 33 33 LEU C C 33 178.876 178.876 177.918 0.958 19221 8247 1 9 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.085 0.965 19221 8248 1 9 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.390 0.410 19221 8249 1 9 . 1 1 33 33 LEU H H 33 7.846 7.846 8.175 -0.329 19221 8250 1 9 . 1 1 34 34 ALA N N 34 121.660 121.660 122.644 -0.984 19221 8251 1 9 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.941 -0.200 19221 8252 1 9 . 1 1 34 34 ALA C C 34 180.025 180.025 179.092 0.933 19221 8253 1 9 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.428 0.242 19221 8254 1 9 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.116 0.824 19221 8255 1 9 . 1 1 34 34 ALA H H 34 8.308 8.308 8.632 -0.324 19221 8256 1 9 . 1 1 35 35 TYR N N 35 120.860 120.860 119.629 1.231 19221 8257 1 9 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.630 0.128 19221 8258 1 9 . 1 1 35 35 TYR C C 35 176.384 176.384 176.944 -0.560 19221 8259 1 9 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.614 0.406 19221 8260 1 9 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.639 0.821 19221 8261 1 9 . 1 1 35 35 TYR H H 35 8.457 8.457 8.300 0.157 19221 8262 1 9 . 1 1 36 36 ASP N N 36 120.570 120.570 119.560 1.010 19221 8263 1 9 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.005 0.230 19221 8264 1 9 . 1 1 36 36 ASP C C 36 180.544 180.544 178.546 1.998 19221 8265 1 9 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.567 0.373 19221 8266 1 9 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.825 -0.355 19221 8267 1 9 . 1 1 36 36 ASP H H 36 9.072 9.072 8.406 0.666 19221 8268 1 9 . 1 1 37 37 LEU N N 37 123.000 123.000 120.043 2.957 19221 8269 1 9 . 1 1 37 37 LEU HA H 37 4.146 4.146 3.964 0.182 19221 8270 1 9 . 1 1 37 37 LEU C C 37 178.743 178.743 179.038 -0.295 19221 8271 1 9 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.385 0.230 19221 8272 1 9 . 1 1 37 37 LEU CB C 37 42.810 42.810 42.013 0.797 19221 8273 1 9 . 1 1 37 37 LEU H H 37 9.068 9.068 8.383 0.685 19221 8274 1 9 . 1 1 38 38 SER N N 38 116.650 116.650 115.215 1.435 19221 8275 1 9 . 1 1 38 38 SER HA H 38 3.680 3.680 3.929 -0.249 19221 8276 1 9 . 1 1 38 38 SER C C 38 174.113 174.113 176.423 -2.310 19221 8277 1 9 . 1 1 38 38 SER CA C 38 59.430 59.430 62.038 -2.608 19221 8278 1 9 . 1 1 38 38 SER CB C 38 63.559 63.559 62.739 0.820 19221 8279 1 9 . 1 1 38 38 SER H H 38 7.824 7.824 7.990 -0.166 19221 8280 1 9 . 1 1 39 39 ILE N N 39 121.198 121.198 122.090 -0.892 19221 8281 1 9 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.402 0.003 19221 8282 1 9 . 1 1 39 39 ILE C C 39 176.113 176.113 177.614 -1.501 19221 8283 1 9 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.573 -1.213 19221 8284 1 9 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.484 -1.136 19221 8285 1 9 . 1 1 39 39 ILE H H 39 8.313 8.313 8.360 -0.047 19221 8286 1 9 . 1 1 40 40 SER N N 40 115.537 115.537 114.923 0.614 19221 8287 1 9 . 1 1 40 40 SER HA H 40 4.534 4.534 4.043 0.491 19221 8288 1 9 . 1 1 40 40 SER C C 40 174.881 174.881 175.381 -0.500 19221 8289 1 9 . 1 1 40 40 SER CA C 40 62.520 62.520 61.864 0.656 19221 8290 1 9 . 1 1 40 40 SER CB C 40 62.670 62.670 62.796 -0.126 19221 8291 1 9 . 1 1 40 40 SER H H 40 7.961 7.961 8.235 -0.274 19221 8292 1 9 . 1 1 41 41 ALA N N 41 123.360 123.360 123.051 0.309 19221 8293 1 9 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.654 -0.062 19221 8294 1 9 . 1 1 41 41 ALA C C 41 178.822 178.822 179.282 -0.460 19221 8295 1 9 . 1 1 41 41 ALA CA C 41 54.122 54.122 53.474 0.648 19221 8296 1 9 . 1 1 41 41 ALA CB C 41 18.390 18.390 17.948 0.442 19221 8297 1 9 . 1 1 41 41 ALA H H 41 7.878 7.878 7.325 0.553 19221 8298 1 9 . 1 1 42 42 LEU N N 42 115.790 115.790 121.272 -5.482 19221 8299 1 9 . 1 1 42 42 LEU HA H 42 3.576 3.576 3.944 -0.368 19221 8300 1 9 . 1 1 42 42 LEU C C 42 179.683 179.683 178.748 0.935 19221 8301 1 9 . 1 1 42 42 LEU CA C 42 58.731 58.731 58.132 0.599 19221 8302 1 9 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.065 0.145 19221 8303 1 9 . 1 1 42 42 LEU H H 42 7.737 7.737 8.166 -0.429 19221 8304 1 9 . 1 1 43 43 LEU N N 43 113.670 113.670 114.107 -0.437 19221 8305 1 9 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.313 -0.306 19221 8306 1 9 . 1 1 43 43 LEU C C 43 177.279 177.279 176.858 0.421 19221 8307 1 9 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.343 0.587 19221 8308 1 9 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.362 0.458 19221 8309 1 9 . 1 1 43 43 LEU H H 43 7.798 7.798 8.180 -0.382 19221 8310 1 9 . 1 1 44 44 GLY N N 44 108.270 108.270 108.608 -0.338 19221 8311 1 9 . 1 1 44 44 GLY C C 44 177.020 177.020 174.648 2.372 19221 8312 1 9 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.849 2.042 19221 8313 1 9 . 1 1 44 44 GLY H H 44 7.984 7.984 7.733 0.251 19221 8314 1 9 . 1 1 45 45 ASP N N 45 128.400 128.400 126.613 1.787 19221 8315 1 9 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.458 0.101 19221 8316 1 9 . 1 1 45 45 ASP C C 45 177.183 177.183 176.765 0.418 19221 8317 1 9 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.630 -1.181 19221 8318 1 9 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.173 -1.383 19221 8319 1 9 . 1 1 45 45 ASP H H 45 9.073 9.073 8.309 0.764 19221 8320 1 9 . 1 1 46 46 LYS N N 46 117.230 117.230 115.070 2.160 19221 8321 1 9 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.651 0.294 19221 8322 1 9 . 1 1 46 46 LYS C C 46 176.544 176.544 175.798 0.746 19221 8323 1 9 . 1 1 46 46 LYS CA C 46 55.610 55.610 54.734 0.876 19221 8324 1 9 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.389 1.571 19221 8325 1 9 . 1 1 46 46 LYS H H 46 8.987 8.987 8.397 0.590 19221 8326 1 9 . 1 1 47 47 ILE N N 47 121.540 121.540 120.002 1.538 19221 8327 1 9 . 1 1 47 47 ILE HA H 47 4.097 4.097 4.319 -0.222 19221 8328 1 9 . 1 1 47 47 ILE C C 47 174.082 174.082 174.163 -0.081 19221 8329 1 9 . 1 1 47 47 ILE CA C 47 61.080 61.080 60.784 0.296 19221 8330 1 9 . 1 1 47 47 ILE CB C 47 37.008 37.008 40.480 -3.471 19221 8331 1 9 . 1 1 47 47 ILE H H 47 6.840 6.840 7.832 -0.992 19221 8332 1 9 . 1 1 48 48 TYR N N 48 123.820 123.820 122.226 1.594 19221 8333 1 9 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.381 -0.072 19221 8334 1 9 . 1 1 48 48 TYR C C 48 173.249 173.249 173.308 -0.059 19221 8335 1 9 . 1 1 48 48 TYR CA C 48 57.350 57.350 57.340 0.010 19221 8336 1 9 . 1 1 48 48 TYR CB C 48 39.230 39.230 40.926 -1.696 19221 8337 1 9 . 1 1 48 48 TYR H H 48 8.511 8.511 8.080 0.431 19221 8338 1 9 . 1 1 49 49 ASN N N 49 116.100 116.100 118.092 -1.992 19221 8339 1 9 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.306 0.145 19221 8340 1 9 . 1 1 49 49 ASN C C 49 175.429 175.429 174.948 0.481 19221 8341 1 9 . 1 1 49 49 ASN CA C 49 53.077 53.077 50.724 2.353 19221 8342 1 9 . 1 1 49 49 ASN CB C 49 39.916 39.916 37.975 1.941 19221 8343 1 9 . 1 1 49 49 ASN H H 49 6.906 6.906 6.989 -0.083 19221 8344 1 9 . 1 1 50 50 PHE N N 50 124.360 124.360 123.694 0.666 19221 8345 1 9 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.466 0.545 19221 8346 1 9 . 1 1 50 50 PHE C C 50 176.190 176.190 176.756 -0.566 19221 8347 1 9 . 1 1 50 50 PHE CA C 50 55.863 55.863 55.454 0.409 19221 8348 1 9 . 1 1 50 50 PHE CB C 50 38.482 38.482 37.444 1.038 19221 8349 1 9 . 1 1 50 50 PHE H H 50 8.980 8.980 7.730 1.250 19221 8350 1 9 . 1 1 51 51 GLY N N 51 109.740 109.740 108.732 1.008 19221 8351 1 9 . 1 1 51 51 GLY C C 51 175.758 175.758 175.455 0.303 19221 8352 1 9 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.165 1.135 19221 8353 1 9 . 1 1 51 51 GLY H H 51 8.658 8.658 8.309 0.349 19221 8354 1 9 . 1 1 52 52 GLU N N 52 120.700 120.700 121.487 -0.787 19221 8355 1 9 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.186 -0.104 19221 8356 1 9 . 1 1 52 52 GLU C C 52 178.240 178.240 178.997 -0.757 19221 8357 1 9 . 1 1 52 52 GLU CA C 52 59.210 59.210 58.227 0.983 19221 8358 1 9 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.535 0.204 19221 8359 1 9 . 1 1 52 52 GLU H H 52 8.321 8.321 8.212 0.109 19221 8360 1 9 . 1 1 53 53 LEU N N 53 119.400 119.400 121.831 -2.431 19221 8361 1 9 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.083 0.075 19221 8362 1 9 . 1 1 53 53 LEU C C 53 178.344 178.344 178.755 -0.411 19221 8363 1 9 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.494 0.296 19221 8364 1 9 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.971 0.869 19221 8365 1 9 . 1 1 53 53 LEU H H 53 7.694 7.694 7.589 0.105 19221 8366 1 9 . 1 1 54 54 LEU N N 54 114.230 114.230 114.878 -0.648 19221 8367 1 9 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.289 -0.366 19221 8368 1 9 . 1 1 54 54 LEU C C 54 178.643 178.643 177.665 0.978 19221 8369 1 9 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.444 1.286 19221 8370 1 9 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.748 0.102 19221 8371 1 9 . 1 1 54 54 LEU H H 54 8.369 8.369 8.429 -0.060 19221 8372 1 9 . 1 1 55 55 HIS N N 55 113.420 113.420 114.708 -1.288 19221 8373 1 9 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.770 -0.063 19221 8374 1 9 . 1 1 55 55 HIS C C 55 173.981 173.981 174.753 -0.772 19221 8375 1 9 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.673 -0.153 19221 8376 1 9 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.619 -2.339 19221 8377 1 9 . 1 1 55 55 HIS H H 55 7.569 7.569 7.703 -0.134 19221 8378 1 9 . 1 1 56 56 HIS N N 56 126.050 126.050 121.944 4.106 19221 8379 1 9 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.624 -0.143 19221 8380 1 9 . 1 1 56 56 HIS C C 56 176.705 176.705 174.822 1.883 19221 8381 1 9 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.017 2.333 19221 8382 1 9 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.119 0.601 19221 8383 1 9 . 1 1 56 56 HIS H H 56 8.068 8.068 7.966 0.102 19221 8384 1 9 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.197 0.180 19221 8385 1 9 . 1 1 57 57 PRO C C 57 179.790 179.790 178.497 1.293 19221 8386 1 9 . 1 1 57 57 PRO CA C 57 65.440 65.440 65.316 0.124 19221 8387 1 9 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.741 0.689 19221 8388 1 9 . 1 1 58 58 ILE N N 58 124.900 124.900 118.142 6.758 19221 8389 1 9 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.762 0.508 19221 8390 1 9 . 1 1 58 58 ILE C C 58 177.782 177.782 176.488 1.294 19221 8391 1 9 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.752 -1.222 19221 8392 1 9 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.681 0.589 19221 8393 1 9 . 1 1 58 58 ILE H H 58 11.871 11.871 7.776 4.095 19221 8394 1 9 . 1 1 59 59 MET N N 59 120.230 120.230 115.314 4.916 19221 8395 1 9 . 1 1 59 59 MET HA H 59 4.431 4.431 4.665 -0.234 19221 8396 1 9 . 1 1 59 59 MET C C 59 178.757 178.757 177.634 1.123 19221 8397 1 9 . 1 1 59 59 MET CA C 59 55.720 55.720 56.951 -1.231 19221 8398 1 9 . 1 1 59 59 MET CB C 59 30.980 30.980 32.382 -1.401 19221 8399 1 9 . 1 1 59 59 MET H H 59 8.152 8.152 7.993 0.159 19221 8400 1 9 . 1 1 60 60 GLU N N 60 119.080 119.080 121.860 -2.780 19221 8401 1 9 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.951 0.057 19221 8402 1 9 . 1 1 60 60 GLU C C 60 178.242 178.242 177.889 0.353 19221 8403 1 9 . 1 1 60 60 GLU CA C 60 58.520 58.520 58.658 -0.138 19221 8404 1 9 . 1 1 60 60 GLU CB C 60 29.547 29.547 29.352 0.195 19221 8405 1 9 . 1 1 60 60 GLU H H 60 7.889 7.889 7.899 -0.010 19221 8406 1 9 . 1 1 61 61 THR N N 61 106.740 106.740 111.189 -4.449 19221 8407 1 9 . 1 1 61 61 THR HA H 61 4.120 4.120 4.194 -0.074 19221 8408 1 9 . 1 1 61 61 THR C C 61 176.056 176.056 175.658 0.398 19221 8409 1 9 . 1 1 61 61 THR CA C 61 64.520 64.520 64.021 0.499 19221 8410 1 9 . 1 1 61 61 THR CB C 61 69.420 69.420 69.460 -0.040 19221 8411 1 9 . 1 1 61 61 THR H H 61 7.558 7.558 7.689 -0.131 19221 8412 1 9 . 1 1 62 62 ILE N N 62 113.140 113.140 113.455 -0.315 19221 8413 1 9 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.594 -0.007 19221 8414 1 9 . 1 1 62 62 ILE C C 62 176.843 176.843 175.537 1.306 19221 8415 1 9 . 1 1 62 62 ILE CA C 62 61.790 61.790 60.751 1.039 19221 8416 1 9 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.390 -0.020 19221 8417 1 9 . 1 1 62 62 ILE H H 62 7.235 7.235 7.540 -0.305 19221 8418 1 9 . 1 1 63 63 VAL N N 63 122.110 122.110 119.171 2.939 19221 8419 1 9 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.486 -0.140 19221 8420 1 9 . 1 1 63 63 VAL C C 63 175.165 175.165 175.912 -0.747 19221 8421 1 9 . 1 1 63 63 VAL CA C 63 64.440 64.440 63.000 1.440 19221 8422 1 9 . 1 1 63 63 VAL CB C 63 31.199 31.199 30.526 0.673 19221 8423 1 9 . 1 1 63 63 VAL H H 63 7.436 7.436 7.573 -0.137 19221 8424 1 9 . 1 1 64 64 ASN N N 64 116.810 116.810 121.862 -5.052 19221 8425 1 9 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.324 0.457 19221 8426 1 9 . 1 1 64 64 ASN C C 64 174.101 174.101 173.952 0.149 19221 8427 1 9 . 1 1 64 64 ASN CA C 64 52.900 52.900 55.000 -2.100 19221 8428 1 9 . 1 1 64 64 ASN CB C 64 38.779 38.779 37.639 1.140 19221 8429 1 9 . 1 1 64 64 ASN H H 64 8.352 8.352 9.200 -0.848 19221 8430 1 9 . 1 1 65 65 ASP N N 65 120.930 120.930 118.373 2.557 19221 8431 1 9 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.904 -0.024 19221 8432 1 9 . 1 1 65 65 ASP C C 65 177.534 177.534 176.326 1.208 19221 8433 1 9 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.700 0.469 19221 8434 1 9 . 1 1 65 65 ASP CB C 65 43.100 43.100 43.543 -0.443 19221 8435 1 9 . 1 1 65 65 ASP H H 65 7.453 7.453 7.785 -0.332 19221 8436 1 9 . 1 1 66 66 SER HA H 66 4.356 4.356 4.175 0.181 19221 8437 1 9 . 1 1 66 66 SER C C 66 176.310 176.310 175.426 0.884 19221 8438 1 9 . 1 1 66 66 SER CA C 66 61.350 61.350 60.649 0.701 19221 8439 1 9 . 1 1 66 66 SER CB C 66 63.120 63.120 63.019 0.101 19221 8440 1 9 . 1 1 66 66 SER H H 66 7.010 7.010 8.875 -1.865 19221 8441 1 9 . 1 1 67 67 ASN N N 67 120.050 120.050 118.542 1.508 19221 8442 1 9 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.368 0.237 19221 8443 1 9 . 1 1 67 67 ASN C C 67 176.107 176.107 175.530 0.577 19221 8444 1 9 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.635 -0.065 19221 8445 1 9 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.917 -0.317 19221 8446 1 9 . 1 1 67 67 ASN H H 67 9.014 9.014 8.190 0.824 19221 8447 1 9 . 1 1 68 68 TYR N N 68 114.840 114.840 112.491 2.349 19221 8448 1 9 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.145 0.374 19221 8449 1 9 . 1 1 68 68 TYR C C 68 175.709 175.709 175.820 -0.111 19221 8450 1 9 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.309 1.301 19221 8451 1 9 . 1 1 68 68 TYR CB C 68 39.750 39.750 38.538 1.212 19221 8452 1 9 . 1 1 68 68 TYR H H 68 8.276 8.276 7.521 0.755 19221 8453 1 9 . 1 1 69 69 ASP N N 69 122.810 122.810 122.471 0.339 19221 8454 1 9 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.361 0.091 19221 8455 1 9 . 1 1 69 69 ASP C C 69 178.371 178.371 177.633 0.738 19221 8456 1 9 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.738 -0.108 19221 8457 1 9 . 1 1 69 69 ASP CB C 69 40.630 40.630 41.141 -0.511 19221 8458 1 9 . 1 1 69 69 ASP H H 69 7.806 7.806 8.696 -0.890 19221 8459 1 9 . 1 1 70 70 TRP N N 70 117.270 117.270 117.220 0.050 19221 8460 1 9 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.521 -0.357 19221 8461 1 9 . 1 1 70 70 TRP C C 70 176.090 176.090 177.426 -1.336 19221 8462 1 9 . 1 1 70 70 TRP CA C 70 58.530 58.530 58.923 -0.393 19221 8463 1 9 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.632 -1.082 19221 8464 1 9 . 1 1 70 70 TRP H H 70 8.172 8.172 7.767 0.405 19221 8465 1 9 . 1 1 71 71 LEU N N 71 125.263 125.263 121.815 3.448 19221 8466 1 9 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.655 -0.415 19221 8467 1 9 . 1 1 71 71 LEU C C 71 178.306 178.306 178.318 -0.012 19221 8468 1 9 . 1 1 71 71 LEU CA C 71 57.610 57.610 56.949 0.661 19221 8469 1 9 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.941 0.249 19221 8470 1 9 . 1 1 71 71 LEU H H 71 6.251 6.251 6.645 -0.394 19221 8471 1 9 . 1 1 72 72 PHE N N 72 117.630 117.630 120.095 -2.465 19221 8472 1 9 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.967 -0.154 19221 8473 1 9 . 1 1 72 72 PHE C C 72 178.797 178.797 177.363 1.434 19221 8474 1 9 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.622 0.949 19221 8475 1 9 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.904 -0.094 19221 8476 1 9 . 1 1 72 72 PHE H H 72 6.996 6.996 8.095 -1.099 19221 8477 1 9 . 1 1 73 73 GLN N N 73 117.950 117.950 118.209 -0.259 19221 8478 1 9 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.771 0.295 19221 8479 1 9 . 1 1 73 73 GLN C C 73 179.341 179.341 178.356 0.985 19221 8480 1 9 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.805 0.285 19221 8481 1 9 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.684 -0.434 19221 8482 1 9 . 1 1 73 73 GLN H H 73 8.415 8.415 8.263 0.152 19221 8483 1 9 . 1 1 74 74 LEU N N 74 122.275 122.275 122.516 -0.241 19221 8484 1 9 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.110 -0.040 19221 8485 1 9 . 1 1 74 74 LEU C C 74 177.889 177.889 178.362 -0.473 19221 8486 1 9 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.660 0.910 19221 8487 1 9 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.815 0.365 19221 8488 1 9 . 1 1 74 74 LEU H H 74 8.365 8.365 8.081 0.284 19221 8489 1 9 . 1 1 75 75 LEU N N 75 118.123 118.123 119.808 -1.685 19221 8490 1 9 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.955 -0.228 19221 8491 1 9 . 1 1 75 75 LEU C C 75 180.172 180.172 179.261 0.911 19221 8492 1 9 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.653 -0.200 19221 8493 1 9 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.206 1.134 19221 8494 1 9 . 1 1 75 75 LEU H H 75 8.210 8.210 8.792 -0.582 19221 8495 1 9 . 1 1 76 76 ASN N N 76 117.960 117.960 117.798 0.162 19221 8496 1 9 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.271 0.104 19221 8497 1 9 . 1 1 76 76 ASN C C 76 176.582 176.582 177.132 -0.550 19221 8498 1 9 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.253 0.707 19221 8499 1 9 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.914 1.036 19221 8500 1 9 . 1 1 76 76 ASN H H 76 8.363 8.363 8.278 0.085 19221 8501 1 9 . 1 1 77 77 ALA N N 77 121.740 121.740 122.239 -0.499 19221 8502 1 9 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.065 0.102 19221 8503 1 9 . 1 1 77 77 ALA C C 77 179.988 179.988 180.085 -0.097 19221 8504 1 9 . 1 1 77 77 ALA CA C 77 55.560 55.560 55.020 0.540 19221 8505 1 9 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.429 -1.099 19221 8506 1 9 . 1 1 77 77 ALA H H 77 8.385 8.385 8.213 0.172 19221 8507 1 9 . 1 1 78 78 LEU N N 78 116.550 116.550 117.690 -1.140 19221 8508 1 9 . 1 1 78 78 LEU HA H 78 3.653 3.653 4.057 -0.404 19221 8509 1 9 . 1 1 78 78 LEU C C 78 177.576 177.576 179.306 -1.730 19221 8510 1 9 . 1 1 78 78 LEU CA C 78 58.984 58.984 58.143 0.841 19221 8511 1 9 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.964 0.046 19221 8512 1 9 . 1 1 78 78 LEU H H 78 7.965 7.965 8.163 -0.198 19221 8513 1 9 . 1 1 79 79 THR N N 79 113.220 113.220 114.833 -1.613 19221 8514 1 9 . 1 1 79 79 THR HA H 79 3.807 3.807 3.817 -0.010 19221 8515 1 9 . 1 1 79 79 THR C C 79 176.163 176.163 176.073 0.090 19221 8516 1 9 . 1 1 79 79 THR CA C 79 66.980 66.980 66.175 0.805 19221 8517 1 9 . 1 1 79 79 THR CB C 79 69.240 69.240 69.264 -0.024 19221 8518 1 9 . 1 1 79 79 THR H H 79 7.565 7.565 7.720 -0.155 19221 8519 1 9 . 1 1 80 80 VAL N N 80 110.800 110.800 115.020 -4.220 19221 8520 1 9 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.181 0.328 19221 8521 1 9 . 1 1 80 80 VAL C C 80 176.751 176.751 176.880 -0.129 19221 8522 1 9 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.373 -1.483 19221 8523 1 9 . 1 1 80 80 VAL CB C 80 32.005 32.005 32.114 -0.109 19221 8524 1 9 . 1 1 80 80 VAL H H 80 7.792 7.792 7.742 0.050 19221 8525 1 9 . 1 1 81 81 GLY N N 81 112.910 112.910 109.680 3.230 19221 8526 1 9 . 1 1 81 81 GLY C C 81 173.874 173.874 174.043 -0.169 19221 8527 1 9 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.421 1.859 19221 8528 1 9 . 1 1 81 81 GLY H H 81 7.506 7.506 7.738 -0.232 19221 8529 1 9 . 1 1 82 82 ASP N N 82 119.112 119.112 121.691 -2.579 19221 8530 1 9 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.794 0.046 19221 8531 1 9 . 1 1 82 82 ASP C C 82 175.706 175.706 176.687 -0.981 19221 8532 1 9 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.411 0.509 19221 8533 1 9 . 1 1 82 82 ASP CB C 82 39.950 39.950 40.781 -0.830 19221 8534 1 9 . 1 1 82 82 ASP H H 82 8.254 8.254 7.879 0.375 19221 8535 1 9 . 1 1 83 83 PHE N N 83 123.870 123.870 123.747 0.123 19221 8536 1 9 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.277 -0.449 19221 8537 1 9 . 1 1 83 83 PHE C C 83 177.950 177.950 176.922 1.028 19221 8538 1 9 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.613 1.957 19221 8539 1 9 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.424 0.696 19221 8540 1 9 . 1 1 83 83 PHE H H 83 8.025 8.025 8.188 -0.163 19221 8541 1 9 . 1 1 84 84 ASP N N 84 119.583 119.583 120.784 -1.201 19221 8542 1 9 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.467 0.055 19221 8543 1 9 . 1 1 84 84 ASP C C 84 179.005 179.005 178.607 0.398 19221 8544 1 9 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.435 0.225 19221 8545 1 9 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.777 -0.217 19221 8546 1 9 . 1 1 84 84 ASP H H 84 8.464 8.464 7.601 0.863 19221 8547 1 9 . 1 1 85 85 LYS N N 85 122.200 122.200 119.646 2.554 19221 8548 1 9 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.126 -0.034 19221 8549 1 9 . 1 1 85 85 LYS C C 85 178.580 178.580 179.134 -0.554 19221 8550 1 9 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.337 -0.087 19221 8551 1 9 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.140 0.170 19221 8552 1 9 . 1 1 85 85 LYS H H 85 8.009 8.009 8.322 -0.313 19221 8553 1 9 . 1 1 86 86 PHE N N 86 118.590 118.590 121.816 -3.226 19221 8554 1 9 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.070 -0.234 19221 8555 1 9 . 1 1 86 86 PHE C C 86 175.649 175.649 176.572 -0.923 19221 8556 1 9 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.809 0.601 19221 8557 1 9 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.852 1.228 19221 8558 1 9 . 1 1 86 86 PHE H H 86 8.331 8.331 8.803 -0.472 19221 8559 1 9 . 1 1 87 87 ASP N N 87 117.790 117.790 119.220 -1.430 19221 8560 1 9 . 1 1 87 87 ASP HA H 87 4.198 4.198 3.987 0.211 19221 8561 1 9 . 1 1 87 87 ASP C C 87 178.542 178.542 178.530 0.012 19221 8562 1 9 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.599 0.241 19221 8563 1 9 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.631 1.259 19221 8564 1 9 . 1 1 87 87 ASP H H 87 8.560 8.560 8.650 -0.090 19221 8565 1 9 . 1 1 88 88 SER N N 88 112.940 112.940 114.930 -1.990 19221 8566 1 9 . 1 1 88 88 SER HA H 88 4.153 4.153 4.259 -0.106 19221 8567 1 9 . 1 1 88 88 SER C C 88 176.823 176.823 175.750 1.073 19221 8568 1 9 . 1 1 88 88 SER CA C 88 61.590 61.590 61.716 -0.126 19221 8569 1 9 . 1 1 88 88 SER CB C 88 63.085 63.085 63.298 -0.213 19221 8570 1 9 . 1 1 88 88 SER H H 88 7.757 7.757 8.147 -0.390 19221 8571 1 9 . 1 1 89 89 LEU N N 89 121.710 121.710 119.947 1.763 19221 8572 1 9 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.268 -0.100 19221 8573 1 9 . 1 1 89 89 LEU C C 89 180.006 180.006 177.918 2.088 19221 8574 1 9 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.204 0.626 19221 8575 1 9 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.629 0.751 19221 8576 1 9 . 1 1 89 89 LEU H H 89 8.173 8.173 7.309 0.864 19221 8577 1 9 . 1 1 90 90 ILE N N 90 119.830 119.830 120.729 -0.899 19221 8578 1 9 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.463 0.082 19221 8579 1 9 . 1 1 90 90 ILE C C 90 177.083 177.083 178.566 -1.483 19221 8580 1 9 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.647 -1.736 19221 8581 1 9 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.499 -0.419 19221 8582 1 9 . 1 1 90 90 ILE H H 90 8.424 8.424 8.501 -0.077 19221 8583 1 9 . 1 1 91 91 LYS N N 91 117.980 117.980 117.534 0.446 19221 8584 1 9 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.955 -0.054 19221 8585 1 9 . 1 1 91 91 LYS C C 91 178.803 178.803 177.892 0.911 19221 8586 1 9 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.099 0.411 19221 8587 1 9 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.292 0.467 19221 8588 1 9 . 1 1 91 91 LYS H H 91 7.569 7.569 8.251 -0.682 19221 8589 1 9 . 1 1 92 92 VAL N N 92 115.450 115.450 117.675 -2.225 19221 8590 1 9 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.039 -0.111 19221 8591 1 9 . 1 1 92 92 VAL C C 92 177.767 177.767 177.545 0.222 19221 8592 1 9 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.762 -0.212 19221 8593 1 9 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.647 0.143 19221 8594 1 9 . 1 1 92 92 VAL H H 92 7.432 7.432 7.737 -0.305 19221 8595 1 9 . 1 1 93 93 GLN N N 93 117.250 117.250 119.594 -2.344 19221 8596 1 9 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.926 0.071 19221 8597 1 9 . 1 1 93 93 GLN C C 93 178.756 178.756 178.907 -0.151 19221 8598 1 9 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.019 -0.459 19221 8599 1 9 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.279 0.391 19221 8600 1 9 . 1 1 93 93 GLN H H 93 8.127 8.127 8.637 -0.510 19221 8601 1 9 . 1 1 94 94 ILE N N 94 118.013 118.013 119.916 -1.903 19221 8602 1 9 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.769 -0.129 19221 8603 1 9 . 1 1 94 94 ILE C C 94 176.252 176.252 178.772 -2.520 19221 8604 1 9 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.539 1.441 19221 8605 1 9 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.857 0.273 19221 8606 1 9 . 1 1 94 94 ILE H H 94 8.390 8.390 7.523 0.867 19221 8607 1 9 . 1 1 95 95 SER N N 95 112.220 112.220 116.911 -4.691 19221 8608 1 9 . 1 1 95 95 SER HA H 95 4.158 4.158 4.137 0.021 19221 8609 1 9 . 1 1 95 95 SER C C 95 174.893 174.893 175.863 -0.970 19221 8610 1 9 . 1 1 95 95 SER CA C 95 59.890 59.890 60.934 -1.044 19221 8611 1 9 . 1 1 95 95 SER CB C 95 63.170 63.170 63.035 0.135 19221 8612 1 9 . 1 1 95 95 SER H H 95 7.227 7.227 8.217 -0.990 19221 8613 1 9 . 1 1 96 96 LYS N N 96 119.000 119.000 118.408 0.592 19221 8614 1 9 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.205 0.120 19221 8615 1 9 . 1 1 96 96 LYS C C 96 175.903 175.903 175.902 0.001 19221 8616 1 9 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.823 -0.223 19221 8617 1 9 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.112 0.828 19221 8618 1 9 . 1 1 96 96 LYS H H 96 7.250 7.250 7.890 -0.640 19221 8619 1 9 . 1 1 97 97 ILE N N 97 120.530 120.530 120.497 0.033 19221 8620 1 9 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.550 0.049 19221 8621 1 9 . 1 1 97 97 ILE C C 97 173.784 173.784 174.188 -0.404 19221 8622 1 9 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.965 -0.553 19221 8623 1 9 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.473 -2.913 19221 8624 1 9 . 1 1 97 97 ILE H H 97 7.713 7.713 7.334 0.379 19221 8625 1 9 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.296 -0.003 19221 8626 1 9 . 1 1 98 98 PRO C C 98 178.885 178.885 178.333 0.552 19221 8627 1 9 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.768 0.552 19221 8628 1 9 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.128 0.142 19221 8629 1 9 . 1 1 99 99 ILE N N 99 115.600 115.600 119.063 -3.463 19221 8630 1 9 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.898 0.394 19221 8631 1 9 . 1 1 99 99 ILE C C 99 177.025 177.025 177.654 -0.629 19221 8632 1 9 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.752 -0.972 19221 8633 1 9 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.964 0.116 19221 8634 1 9 . 1 1 99 99 ILE H H 99 8.552 8.552 7.904 0.648 19221 8635 1 9 . 1 1 100 100 LEU N N 100 119.430 119.430 120.598 -1.168 19221 8636 1 9 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.102 0.121 19221 8637 1 9 . 1 1 100 100 LEU C C 100 178.223 178.223 178.936 -0.713 19221 8638 1 9 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.735 -0.625 19221 8639 1 9 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.373 0.847 19221 8640 1 9 . 1 1 100 100 LEU H H 100 7.404 7.404 7.682 -0.278 19221 8641 1 9 . 1 1 101 101 ALA N N 101 121.390 121.390 120.587 0.803 19221 8642 1 9 . 1 1 101 101 ALA HA H 101 3.917 3.917 4.039 -0.122 19221 8643 1 9 . 1 1 101 101 ALA C C 101 181.827 181.827 180.085 1.742 19221 8644 1 9 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.699 0.711 19221 8645 1 9 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.473 -0.523 19221 8646 1 9 . 1 1 101 101 ALA H H 101 7.839 7.839 8.037 -0.198 19221 8647 1 9 . 1 1 102 102 GLN N N 102 115.470 115.470 116.695 -1.225 19221 8648 1 9 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.047 0.030 19221 8649 1 9 . 1 1 102 102 GLN C C 102 176.572 176.572 176.719 -0.147 19221 8650 1 9 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.893 -0.313 19221 8651 1 9 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.053 -0.423 19221 8652 1 9 . 1 1 102 102 GLN H H 102 8.276 8.276 7.678 0.598 19221 8653 1 9 . 1 1 103 103 HIS N N 103 115.980 115.980 114.509 1.471 19221 8654 1 9 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.927 0.197 19221 8655 1 9 . 1 1 103 103 HIS C C 103 175.326 175.326 175.039 0.287 19221 8656 1 9 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.897 1.453 19221 8657 1 9 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.246 1.744 19221 8658 1 9 . 1 1 103 103 HIS H H 103 7.450 7.450 7.533 -0.083 19221 8659 1 9 . 1 1 104 104 GLU N N 104 122.920 122.920 122.011 0.909 19221 8660 1 9 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.987 -0.174 19221 8661 1 9 . 1 1 104 104 GLU C C 104 177.960 177.960 178.059 -0.099 19221 8662 1 9 . 1 1 104 104 GLU CA C 104 61.510 61.510 61.182 0.328 19221 8663 1 9 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.661 -0.161 19221 8664 1 9 . 1 1 104 104 GLU H H 104 7.332 7.332 7.747 -0.415 19221 8665 1 9 . 1 1 105 105 SER N N 105 113.180 113.180 115.160 -1.980 19221 8666 1 9 . 1 1 105 105 SER HA H 105 4.234 4.234 4.317 -0.083 19221 8667 1 9 . 1 1 105 105 SER C C 105 177.512 177.512 176.863 0.649 19221 8668 1 9 . 1 1 105 105 SER CA C 105 62.100 62.100 61.079 1.021 19221 8669 1 9 . 1 1 105 105 SER CB C 105 62.100 62.100 62.847 -0.747 19221 8670 1 9 . 1 1 105 105 SER H H 105 8.931 8.931 8.725 0.206 19221 8671 1 9 . 1 1 106 106 PHE N N 106 123.770 123.770 122.089 1.681 19221 8672 1 9 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.352 0.075 19221 8673 1 9 . 1 1 106 106 PHE C C 106 178.007 178.007 177.830 0.177 19221 8674 1 9 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.681 -0.291 19221 8675 1 9 . 1 1 106 106 PHE CB C 106 39.130 39.130 38.757 0.373 19221 8676 1 9 . 1 1 106 106 PHE H H 106 8.040 8.040 7.676 0.364 19221 8677 1 9 . 1 1 107 107 LEU N N 107 121.397 121.397 119.986 1.411 19221 8678 1 9 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.059 -0.053 19221 8679 1 9 . 1 1 107 107 LEU C C 107 178.165 178.165 179.057 -0.892 19221 8680 1 9 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.164 0.116 19221 8681 1 9 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.497 0.672 19221 8682 1 9 . 1 1 107 107 LEU H H 107 8.481 8.481 8.988 -0.507 19221 8683 1 9 . 1 1 108 108 ARG N N 108 117.450 117.450 119.828 -2.378 19221 8684 1 9 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.002 0.137 19221 8685 1 9 . 1 1 108 108 ARG C C 108 178.343 178.343 178.338 0.005 19221 8686 1 9 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.286 -0.706 19221 8687 1 9 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.245 -1.075 19221 8688 1 9 . 1 1 108 108 ARG H H 108 8.480 8.480 8.671 -0.191 19221 8689 1 9 . 1 1 109 109 GLN N N 109 119.098 119.098 118.593 0.505 19221 8690 1 9 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.060 0.015 19221 8691 1 9 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.045 0.250 19221 8692 1 9 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.588 0.919 19221 8693 1 9 . 1 1 109 109 GLN H H 109 7.886 7.886 8.095 -0.209 19221 8694 1 9 . 1 1 110 110 LYS N N 110 121.110 121.110 120.811 0.299 19221 8695 1 9 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.103 -0.115 19221 8696 1 9 . 1 1 110 110 LYS C C 110 178.368 178.368 178.966 -0.598 19221 8697 1 9 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.732 2.818 19221 8698 1 9 . 1 1 110 110 LYS CB C 110 30.260 30.260 32.154 -1.894 19221 8699 1 9 . 1 1 110 110 LYS H H 110 8.356 8.356 8.202 0.154 19221 8700 1 9 . 1 1 111 111 ILE N N 111 116.870 116.870 120.482 -3.612 19221 8701 1 9 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.775 0.123 19221 8702 1 9 . 1 1 111 111 ILE C C 111 178.036 178.036 177.321 0.715 19221 8703 1 9 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.580 0.521 19221 8704 1 9 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.645 -0.730 19221 8705 1 9 . 1 1 111 111 ILE H H 111 7.848 7.848 8.597 -0.749 19221 8706 1 9 . 1 1 112 112 CYS N N 112 123.990 123.990 118.482 5.508 19221 8707 1 9 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.042 0.039 19221 8708 1 9 . 1 1 112 112 CYS C C 112 176.276 176.276 176.810 -0.534 19221 8709 1 9 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.694 1.706 19221 8710 1 9 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.486 -0.116 19221 8711 1 9 . 1 1 112 112 CYS H H 112 7.473 7.473 7.495 -0.022 19221 8712 1 9 . 1 1 113 113 LEU N N 113 120.218 120.218 121.284 -1.066 19221 8713 1 9 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.693 0.150 19221 8714 1 9 . 1 1 113 113 LEU C C 113 178.584 178.584 178.885 -0.301 19221 8715 1 9 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.488 0.032 19221 8716 1 9 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.701 0.849 19221 8717 1 9 . 1 1 113 113 LEU H H 113 8.443 8.443 8.569 -0.126 19221 8718 1 9 . 1 1 114 114 MET N N 114 116.910 116.910 116.833 0.077 19221 8719 1 9 . 1 1 114 114 MET HA H 114 3.952 3.952 3.960 -0.008 19221 8720 1 9 . 1 1 114 114 MET C C 114 178.724 178.724 178.552 0.172 19221 8721 1 9 . 1 1 114 114 MET CA C 114 60.070 60.070 59.672 0.398 19221 8722 1 9 . 1 1 114 114 MET CB C 114 32.910 32.910 32.170 0.740 19221 8723 1 9 . 1 1 114 114 MET H H 114 8.840 8.840 8.603 0.237 19221 8724 1 9 . 1 1 115 115 THR N N 115 115.670 115.670 116.912 -1.242 19221 8725 1 9 . 1 1 115 115 THR HA H 115 4.083 4.083 3.979 0.104 19221 8726 1 9 . 1 1 115 115 THR C C 115 177.434 177.434 176.443 0.991 19221 8727 1 9 . 1 1 115 115 THR CA C 115 66.740 66.740 67.547 -0.807 19221 8728 1 9 . 1 1 115 115 THR CB C 115 68.630 68.630 68.410 0.220 19221 8729 1 9 . 1 1 115 115 THR H H 115 8.095 8.095 8.318 -0.223 19221 8730 1 9 . 1 1 116 116 LEU N N 116 125.420 125.420 123.354 2.066 19221 8731 1 9 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.003 -0.148 19221 8732 1 9 . 1 1 116 116 LEU C C 116 176.903 176.903 177.905 -1.002 19221 8733 1 9 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.019 0.917 19221 8734 1 9 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.169 0.507 19221 8735 1 9 . 1 1 116 116 LEU H H 116 8.164 8.164 7.460 0.704 19221 8736 1 9 . 1 1 117 117 ILE N N 117 114.740 114.740 119.500 -4.760 19221 8737 1 9 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.382 0.237 19221 8738 1 9 . 1 1 117 117 ILE C C 117 177.806 177.806 177.846 -0.040 19221 8739 1 9 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.616 -1.026 19221 8740 1 9 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.110 -0.750 19221 8741 1 9 . 1 1 117 117 ILE H H 117 8.032 8.032 8.191 -0.159 19221 8742 1 9 . 1 1 118 118 GLU N N 118 121.200 121.200 120.839 0.361 19221 8743 1 9 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.104 0.096 19221 8744 1 9 . 1 1 118 118 GLU C C 118 178.314 178.314 178.785 -0.471 19221 8745 1 9 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.975 0.005 19221 8746 1 9 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.210 0.170 19221 8747 1 9 . 1 1 118 118 GLU H H 118 8.176 8.176 8.720 -0.544 19221 8748 1 9 . 1 1 119 119 THR N N 119 114.460 114.460 117.782 -3.322 19221 8749 1 9 . 1 1 119 119 THR HA H 119 3.917 3.917 3.932 -0.015 19221 8750 1 9 . 1 1 119 119 THR C C 119 175.551 175.551 176.895 -1.344 19221 8751 1 9 . 1 1 119 119 THR CA C 119 67.470 67.470 67.096 0.374 19221 8752 1 9 . 1 1 119 119 THR CB C 119 69.110 69.110 68.672 0.438 19221 8753 1 9 . 1 1 119 119 THR H H 119 8.008 8.008 7.936 0.072 19221 8754 1 9 . 1 1 120 120 VAL N N 120 118.050 118.050 121.710 -3.660 19221 8755 1 9 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.552 0.068 19221 8756 1 9 . 1 1 120 120 VAL C C 120 178.213 178.213 177.714 0.499 19221 8757 1 9 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.576 -0.556 19221 8758 1 9 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.590 0.240 19221 8759 1 9 . 1 1 120 120 VAL H H 120 7.800 7.800 8.120 -0.320 19221 8760 1 9 . 1 1 121 121 PHE N N 121 118.360 118.360 121.172 -2.812 19221 8761 1 9 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.160 0.060 19221 8762 1 9 . 1 1 121 121 PHE C C 121 178.739 178.739 177.979 0.760 19221 8763 1 9 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.669 -0.129 19221 8764 1 9 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.242 0.888 19221 8765 1 9 . 1 1 121 121 PHE H H 121 8.370 8.370 8.315 0.055 19221 8766 1 9 . 1 1 122 122 VAL N N 122 118.710 118.710 119.844 -1.134 19221 8767 1 9 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.531 0.094 19221 8768 1 9 . 1 1 122 122 VAL C C 122 178.247 178.247 177.344 0.903 19221 8769 1 9 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.618 0.231 19221 8770 1 9 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.973 -0.092 19221 8771 1 9 . 1 1 122 122 VAL H H 122 8.959 8.959 8.703 0.256 19221 8772 1 9 . 1 1 123 123 LYS N N 123 115.960 115.960 116.301 -0.341 19221 8773 1 9 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.327 -0.011 19221 8774 1 9 . 1 1 123 123 LYS C C 123 176.148 176.148 175.610 0.538 19221 8775 1 9 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.545 0.985 19221 8776 1 9 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.258 -0.228 19221 8777 1 9 . 1 1 123 123 LYS H H 123 7.688 7.688 8.063 -0.375 19221 8778 1 9 . 1 1 124 124 ASN N N 124 117.440 117.440 117.496 -0.056 19221 8779 1 9 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.274 0.070 19221 8780 1 9 . 1 1 124 124 ASN C C 124 174.205 174.205 175.073 -0.868 19221 8781 1 9 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.795 0.125 19221 8782 1 9 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.338 -0.268 19221 8783 1 9 . 1 1 124 124 ASN H H 124 7.560 7.560 7.528 0.032 19221 8784 1 9 . 1 1 125 125 ILE N N 125 116.780 116.780 117.501 -0.721 19221 8785 1 9 . 1 1 125 125 ILE HA H 125 4.110 4.110 3.906 0.204 19221 8786 1 9 . 1 1 125 125 ILE C C 125 175.909 175.909 175.926 -0.017 19221 8787 1 9 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.005 -0.435 19221 8788 1 9 . 1 1 125 125 ILE CB C 125 39.970 39.970 37.953 2.017 19221 8789 1 9 . 1 1 125 125 ILE H H 125 7.658 7.658 7.977 -0.319 19221 8790 1 9 . 1 1 126 126 ARG N N 126 122.400 122.400 121.845 0.555 19221 8791 1 9 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.622 0.009 19221 8792 1 9 . 1 1 126 126 ARG C C 126 175.296 175.296 175.784 -0.488 19221 8793 1 9 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.597 -0.387 19221 8794 1 9 . 1 1 126 126 ARG CB C 126 31.217 31.217 32.159 -0.942 19221 8795 1 9 . 1 1 126 126 ARG H H 126 8.658 8.658 8.510 0.148 19221 8796 1 9 . 1 1 127 127 MET N N 127 119.870 119.870 119.326 0.544 19221 8797 1 9 . 1 1 127 127 MET HA H 127 5.412 5.412 5.236 0.176 19221 8798 1 9 . 1 1 127 127 MET C C 127 174.169 174.169 173.880 0.289 19221 8799 1 9 . 1 1 127 127 MET CA C 127 55.130 55.130 54.547 0.583 19221 8800 1 9 . 1 1 127 127 MET CB C 127 35.300 35.300 35.868 -0.568 19221 8801 1 9 . 1 1 127 127 MET H H 127 7.487 7.487 7.687 -0.200 19221 8802 1 9 . 1 1 128 128 LEU N N 128 124.940 124.940 123.168 1.772 19221 8803 1 9 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.950 -0.060 19221 8804 1 9 . 1 1 128 128 LEU C C 128 174.857 174.857 174.652 0.205 19221 8805 1 9 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.812 0.357 19221 8806 1 9 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.085 -0.995 19221 8807 1 9 . 1 1 128 128 LEU H H 128 8.961 8.961 8.779 0.182 19221 8808 1 9 . 1 1 129 129 SER N N 129 119.080 119.080 114.119 4.961 19221 8809 1 9 . 1 1 129 129 SER HA H 129 5.503 5.503 5.186 0.317 19221 8810 1 9 . 1 1 129 129 SER C C 129 176.225 176.225 175.750 0.475 19221 8811 1 9 . 1 1 129 129 SER CA C 129 56.630 56.630 55.839 0.791 19221 8812 1 9 . 1 1 129 129 SER CB C 129 66.030 66.030 65.019 1.012 19221 8813 1 9 . 1 1 129 129 SER H H 129 9.512 9.512 8.222 1.290 19221 8814 1 9 . 1 1 130 130 PHE N N 130 120.530 120.530 124.511 -3.981 19221 8815 1 9 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.150 0.290 19221 8816 1 9 . 1 1 130 130 PHE C C 130 179.046 179.046 177.189 1.857 19221 8817 1 9 . 1 1 130 130 PHE CA C 130 58.730 58.730 60.058 -1.328 19221 8818 1 9 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.414 -1.895 19221 8819 1 9 . 1 1 130 130 PHE H H 130 8.712 8.712 9.435 -0.723 19221 8820 1 9 . 1 1 131 131 GLU N N 131 121.180 121.180 118.314 2.866 19221 8821 1 9 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.882 0.143 19221 8822 1 9 . 1 1 131 131 GLU C C 131 178.039 178.039 178.224 -0.185 19221 8823 1 9 . 1 1 131 131 GLU CA C 131 59.870 59.870 59.726 0.144 19221 8824 1 9 . 1 1 131 131 GLU CB C 131 29.470 29.470 28.946 0.524 19221 8825 1 9 . 1 1 131 131 GLU H H 131 8.961 8.961 8.435 0.526 19221 8826 1 9 . 1 1 132 132 ASP N N 132 120.930 120.930 120.946 -0.016 19221 8827 1 9 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.441 -0.044 19221 8828 1 9 . 1 1 132 132 ASP C C 132 180.369 180.369 178.575 1.794 19221 8829 1 9 . 1 1 132 132 ASP CA C 132 57.690 57.690 56.866 0.824 19221 8830 1 9 . 1 1 132 132 ASP CB C 132 40.740 40.740 41.087 -0.347 19221 8831 1 9 . 1 1 132 132 ASP H H 132 8.369 8.369 7.628 0.741 19221 8832 1 9 . 1 1 133 133 ILE N N 133 120.360 120.360 120.437 -0.077 19221 8833 1 9 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.530 -0.021 19221 8834 1 9 . 1 1 133 133 ILE C C 133 178.895 178.895 178.255 0.640 19221 8835 1 9 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.327 0.953 19221 8836 1 9 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.717 -0.187 19221 8837 1 9 . 1 1 133 133 ILE H H 133 8.062 8.062 7.890 0.172 19221 8838 1 9 . 1 1 134 134 SER N N 134 120.050 120.050 117.808 2.242 19221 8839 1 9 . 1 1 134 134 SER HA H 134 4.074 4.074 4.199 -0.125 19221 8840 1 9 . 1 1 134 134 SER C C 134 176.934 176.934 176.542 0.392 19221 8841 1 9 . 1 1 134 134 SER CA C 134 61.240 61.240 62.209 -0.969 19221 8842 1 9 . 1 1 134 134 SER CB C 134 63.400 63.400 63.008 0.392 19221 8843 1 9 . 1 1 134 134 SER H H 134 8.823 8.823 8.524 0.299 19221 8844 1 9 . 1 1 135 135 LYS N N 135 119.060 119.060 121.183 -2.123 19221 8845 1 9 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.984 -0.054 19221 8846 1 9 . 1 1 135 135 LYS C C 135 178.986 178.986 178.278 0.708 19221 8847 1 9 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.932 0.338 19221 8848 1 9 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.251 0.219 19221 8849 1 9 . 1 1 135 135 LYS H H 135 8.258 8.258 8.108 0.150 19221 8850 1 9 . 1 1 136 136 ALA N N 136 118.350 118.350 118.934 -0.584 19221 8851 1 9 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.163 0.039 19221 8852 1 9 . 1 1 136 136 ALA C C 136 178.653 178.653 176.740 1.913 19221 8853 1 9 . 1 1 136 136 ALA CA C 136 54.480 54.480 53.515 0.965 19221 8854 1 9 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.042 -0.201 19221 8855 1 9 . 1 1 136 136 ALA H H 136 7.538 7.538 7.832 -0.294 19221 8856 1 9 . 1 1 137 137 THR N N 137 101.770 101.770 107.551 -5.781 19221 8857 1 9 . 1 1 137 137 THR HA H 137 4.274 4.274 4.250 0.024 19221 8858 1 9 . 1 1 137 137 THR C C 137 172.932 172.932 174.671 -1.739 19221 8859 1 9 . 1 1 137 137 THR CA C 137 61.990 61.990 62.117 -0.127 19221 8860 1 9 . 1 1 137 137 THR CB C 137 71.200 71.200 71.302 -0.102 19221 8861 1 9 . 1 1 137 137 THR H H 137 7.777 7.777 7.122 0.655 19221 8862 1 9 . 1 1 138 138 HIS N N 138 113.660 113.660 116.254 -2.594 19221 8863 1 9 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.125 -0.166 19221 8864 1 9 . 1 1 138 138 HIS C C 138 173.700 173.700 173.953 -0.253 19221 8865 1 9 . 1 1 138 138 HIS CA C 138 56.330 56.330 58.021 -1.691 19221 8866 1 9 . 1 1 138 138 HIS CB C 138 25.410 25.410 26.214 -0.804 19221 8867 1 9 . 1 1 138 138 HIS H H 138 7.567 7.567 8.200 -0.633 19221 8868 1 9 . 1 1 139 139 LEU N N 139 120.070 120.070 121.427 -1.357 19221 8869 1 9 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.643 0.200 19221 8870 1 9 . 1 1 139 139 LEU C C 139 174.376 174.376 175.739 -1.363 19221 8871 1 9 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.495 -0.625 19221 8872 1 9 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.096 2.654 19221 8873 1 9 . 1 1 139 139 LEU H H 139 7.513 7.513 7.310 0.203 19221 8874 1 9 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.506 -0.115 19221 8875 1 9 . 1 1 140 140 PRO C C 140 177.985 177.985 177.388 0.597 19221 8876 1 9 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.452 -0.062 19221 8877 1 9 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.533 -0.463 19221 8878 1 9 . 1 1 141 141 LYS N N 141 123.930 123.930 121.210 2.720 19221 8879 1 9 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.951 -0.132 19221 8880 1 9 . 1 1 141 141 LYS C C 141 178.083 178.083 178.108 -0.025 19221 8881 1 9 . 1 1 141 141 LYS CA C 141 60.830 60.830 59.591 1.239 19221 8882 1 9 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.428 -0.539 19221 8883 1 9 . 1 1 141 141 LYS H H 141 8.950 8.950 8.589 0.361 19221 8884 1 9 . 1 1 142 142 ASP N N 142 114.510 114.510 115.113 -0.603 19221 8885 1 9 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.582 -0.087 19221 8886 1 9 . 1 1 142 142 ASP C C 142 176.656 176.656 176.770 -0.114 19221 8887 1 9 . 1 1 142 142 ASP CA C 142 55.590 55.590 55.655 -0.065 19221 8888 1 9 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.794 -1.054 19221 8889 1 9 . 1 1 142 142 ASP H H 142 8.491 8.491 8.246 0.245 19221 8890 1 9 . 1 1 143 143 ASN N N 143 116.400 116.400 115.668 0.732 19221 8891 1 9 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.902 0.164 19221 8892 1 9 . 1 1 143 143 ASN C C 143 175.954 175.954 176.336 -0.382 19221 8893 1 9 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.335 -0.115 19221 8894 1 9 . 1 1 143 143 ASN CB C 143 40.950 40.950 39.991 0.959 19221 8895 1 9 . 1 1 143 143 ASN H H 143 8.191 8.191 7.941 0.251 19221 8896 1 9 . 1 1 144 144 VAL N N 144 120.490 120.490 122.413 -1.923 19221 8897 1 9 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.584 -0.261 19221 8898 1 9 . 1 1 144 144 VAL C C 144 176.423 176.423 175.949 0.474 19221 8899 1 9 . 1 1 144 144 VAL CA C 144 66.990 66.990 65.620 1.370 19221 8900 1 9 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.814 -0.374 19221 8901 1 9 . 1 1 144 144 VAL H H 144 7.472 7.472 7.934 -0.462 19221 8902 1 9 . 1 1 145 145 GLU N N 145 122.340 122.340 118.753 3.587 19221 8903 1 9 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.648 -0.387 19221 8904 1 9 . 1 1 145 145 GLU C C 145 177.853 177.853 178.269 -0.416 19221 8905 1 9 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.253 1.577 19221 8906 1 9 . 1 1 145 145 GLU CB C 145 28.810 28.810 27.886 0.924 19221 8907 1 9 . 1 1 145 145 GLU H H 145 9.141 9.141 8.451 0.690 19221 8908 1 9 . 1 1 146 146 HIS N N 146 116.970 116.970 118.829 -1.859 19221 8909 1 9 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.326 -0.152 19221 8910 1 9 . 1 1 146 146 HIS C C 146 177.947 177.947 177.137 0.810 19221 8911 1 9 . 1 1 146 146 HIS CA C 146 59.540 59.540 59.577 -0.037 19221 8912 1 9 . 1 1 146 146 HIS CB C 146 30.450 30.450 30.083 0.367 19221 8913 1 9 . 1 1 146 146 HIS H H 146 8.162 8.162 7.916 0.246 19221 8914 1 9 . 1 1 147 147 LEU N N 147 120.670 120.670 120.473 0.197 19221 8915 1 9 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.178 -0.218 19221 8916 1 9 . 1 1 147 147 LEU C C 147 178.427 178.427 178.628 -0.201 19221 8917 1 9 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.892 0.378 19221 8918 1 9 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.563 0.173 19221 8919 1 9 . 1 1 147 147 LEU H H 147 7.336 7.336 7.539 -0.203 19221 8920 1 9 . 1 1 148 148 VAL N N 148 118.060 118.060 116.696 1.364 19221 8921 1 9 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.690 -0.467 19221 8922 1 9 . 1 1 148 148 VAL C C 148 177.801 177.801 178.177 -0.376 19221 8923 1 9 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.679 1.282 19221 8924 1 9 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.641 0.369 19221 8925 1 9 . 1 1 148 148 VAL H H 148 8.172 8.172 7.440 0.732 19221 8926 1 9 . 1 1 149 149 MET N N 149 117.770 117.770 119.956 -2.186 19221 8927 1 9 . 1 1 149 149 MET HA H 149 4.123 4.123 4.028 0.095 19221 8928 1 9 . 1 1 149 149 MET C C 149 179.823 179.823 178.591 1.232 19221 8929 1 9 . 1 1 149 149 MET CA C 149 58.630 58.630 59.495 -0.865 19221 8930 1 9 . 1 1 149 149 MET CB C 149 31.496 31.496 31.883 -0.387 19221 8931 1 9 . 1 1 149 149 MET H H 149 8.585 8.585 8.655 -0.070 19221 8932 1 9 . 1 1 150 150 ARG N N 150 121.900 121.900 119.619 2.281 19221 8933 1 9 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.022 0.072 19221 8934 1 9 . 1 1 150 150 ARG C C 150 177.928 177.928 178.289 -0.361 19221 8935 1 9 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.055 -0.905 19221 8936 1 9 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.587 -0.837 19221 8937 1 9 . 1 1 150 150 ARG H H 150 8.160 8.160 8.061 0.099 19221 8938 1 9 . 1 1 151 151 ALA N N 151 121.710 121.710 122.701 -0.991 19221 8939 1 9 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.971 -0.173 19221 8940 1 9 . 1 1 151 151 ALA C C 151 179.518 179.518 179.523 -0.005 19221 8941 1 9 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.148 0.592 19221 8942 1 9 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.303 -0.413 19221 8943 1 9 . 1 1 151 151 ALA H H 151 8.165 8.165 7.799 0.366 19221 8944 1 9 . 1 1 152 152 ILE N N 152 118.590 118.590 118.290 0.300 19221 8945 1 9 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.933 0.449 19221 8946 1 9 . 1 1 152 152 ILE C C 152 181.439 181.439 179.277 2.162 19221 8947 1 9 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.741 -0.181 19221 8948 1 9 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.953 0.747 19221 8949 1 9 . 1 1 152 152 ILE H H 152 8.331 8.331 8.388 -0.057 19221 8950 1 9 . 1 1 153 153 SER N N 153 120.250 120.250 116.234 4.016 19221 8951 1 9 . 1 1 153 153 SER HA H 153 4.279 4.279 4.214 0.065 19221 8952 1 9 . 1 1 153 153 SER C C 153 176.745 176.745 175.890 0.855 19221 8953 1 9 . 1 1 153 153 SER CA C 153 62.040 62.040 61.475 0.565 19221 8954 1 9 . 1 1 153 153 SER CB C 153 62.930 62.930 63.197 -0.267 19221 8955 1 9 . 1 1 153 153 SER H H 153 8.756 8.756 8.118 0.638 19221 8956 1 9 . 1 1 154 154 LEU N N 154 119.480 119.480 117.635 1.845 19221 8957 1 9 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.187 0.158 19221 8958 1 9 . 1 1 154 154 LEU C C 154 177.351 177.351 177.556 -0.205 19221 8959 1 9 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.517 -0.062 19221 8960 1 9 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.991 2.009 19221 8961 1 9 . 1 1 154 154 LEU H H 154 8.129 8.129 7.909 0.220 19221 8962 1 9 . 1 1 155 155 GLY N N 155 106.990 106.990 106.804 0.186 19221 8963 1 9 . 1 1 155 155 GLY C C 155 174.867 174.867 175.631 -0.764 19221 8964 1 9 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.364 -0.563 19221 8965 1 9 . 1 1 155 155 GLY H H 155 8.023 8.023 7.829 0.194 19221 8966 1 9 . 1 1 156 156 LEU N N 156 116.510 116.510 119.031 -2.521 19221 8967 1 9 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.262 -0.002 19221 8968 1 9 . 1 1 156 156 LEU C C 156 175.387 175.387 176.076 -0.689 19221 8969 1 9 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.592 -0.662 19221 8970 1 9 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.452 0.768 19221 8971 1 9 . 1 1 156 156 LEU H H 156 8.101 8.101 7.570 0.531 19221 8972 1 9 . 1 1 157 157 LEU N N 157 112.790 112.790 111.088 1.702 19221 8973 1 9 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.017 -0.017 19221 8974 1 9 . 1 1 157 157 LEU C C 157 175.382 175.382 174.983 0.399 19221 8975 1 9 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.519 0.121 19221 8976 1 9 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.343 1.217 19221 8977 1 9 . 1 1 157 157 LEU H H 157 7.194 7.194 7.344 -0.150 19221 8978 1 9 . 1 1 158 158 LYS N N 158 121.010 121.010 120.033 0.977 19221 8979 1 9 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.790 0.005 19221 8980 1 9 . 1 1 158 158 LYS C C 158 175.461 175.461 175.561 -0.100 19221 8981 1 9 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.805 0.255 19221 8982 1 9 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.577 1.613 19221 8983 1 9 . 1 1 158 158 LYS H H 158 9.056 9.056 8.711 0.345 19221 8984 1 9 . 1 1 159 159 GLY N N 159 109.800 109.800 111.203 -1.403 19221 8985 1 9 . 1 1 159 159 GLY C C 159 170.992 170.992 172.954 -1.962 19221 8986 1 9 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.248 0.892 19221 8987 1 9 . 1 1 159 159 GLY H H 159 8.287 8.287 8.083 0.204 19221 8988 1 9 . 1 1 160 160 SER N N 160 112.940 112.940 114.716 -1.776 19221 8989 1 9 . 1 1 160 160 SER HA H 160 4.780 4.780 4.728 0.052 19221 8990 1 9 . 1 1 160 160 SER C C 160 172.525 172.525 173.278 -0.753 19221 8991 1 9 . 1 1 160 160 SER CA C 160 56.840 56.840 57.440 -0.600 19221 8992 1 9 . 1 1 160 160 SER CB C 160 65.660 65.660 66.131 -0.471 19221 8993 1 9 . 1 1 160 160 SER H H 160 8.847 8.847 8.864 -0.017 19221 8994 1 9 . 1 1 161 161 ILE N N 161 123.020 123.020 124.055 -1.035 19221 8995 1 9 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.083 0.323 19221 8996 1 9 . 1 1 161 161 ILE C C 161 174.457 174.457 175.650 -1.193 19221 8997 1 9 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.492 -0.073 19221 8998 1 9 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.623 1.605 19221 8999 1 9 . 1 1 161 161 ILE H H 161 8.867 8.867 8.708 0.159 19221 9000 1 9 . 1 1 162 162 ASP N N 162 128.130 128.130 125.821 2.309 19221 9001 1 9 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.988 -0.072 19221 9002 1 9 . 1 1 162 162 ASP C C 162 176.575 176.575 176.497 0.078 19221 9003 1 9 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.830 -1.090 19221 9004 1 9 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.889 0.251 19221 9005 1 9 . 1 1 162 162 ASP H H 162 8.955 8.955 8.674 0.281 19221 9006 1 9 . 1 1 163 163 GLN N N 163 123.480 123.480 120.395 3.085 19221 9007 1 9 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.683 0.170 19221 9008 1 9 . 1 1 163 163 GLN C C 163 177.627 177.627 177.451 0.176 19221 9009 1 9 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.521 0.689 19221 9010 1 9 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.387 0.533 19221 9011 1 9 . 1 1 163 163 GLN H H 163 8.982 8.982 8.627 0.355 19221 9012 1 9 . 1 1 164 164 VAL N N 164 119.220 119.220 120.839 -1.619 19221 9013 1 9 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.745 -0.062 19221 9014 1 9 . 1 1 164 164 VAL C C 164 177.519 177.519 177.036 0.483 19221 9015 1 9 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.897 0.873 19221 9016 1 9 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.005 0.925 19221 9017 1 9 . 1 1 164 164 VAL H H 164 7.974 7.974 8.348 -0.374 19221 9018 1 9 . 1 1 165 165 ASN N N 165 114.430 114.430 113.930 0.500 19221 9019 1 9 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.799 -0.198 19221 9020 1 9 . 1 1 165 165 ASN C C 165 172.795 172.795 174.056 -1.261 19221 9021 1 9 . 1 1 165 165 ASN CA C 165 52.900 52.900 52.756 0.144 19221 9022 1 9 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.414 -0.584 19221 9023 1 9 . 1 1 165 165 ASN H H 165 7.502 7.502 7.747 -0.245 19221 9024 1 9 . 1 1 166 166 GLU N N 166 116.970 116.970 115.302 1.668 19221 9025 1 9 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.799 -0.785 19221 9026 1 9 . 1 1 166 166 GLU C C 166 174.562 174.562 174.034 0.528 19221 9027 1 9 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.930 -0.702 19221 9028 1 9 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.963 -0.147 19221 9029 1 9 . 1 1 166 166 GLU H H 166 7.268 7.268 7.668 -0.400 19221 9030 1 9 . 1 1 167 167 LEU N N 167 117.360 117.360 115.766 1.594 19221 9031 1 9 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.166 -0.168 19221 9032 1 9 . 1 1 167 167 LEU C C 167 175.659 175.659 175.659 0.000 19221 9033 1 9 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.087 0.584 19221 9034 1 9 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.123 1.187 19221 9035 1 9 . 1 1 167 167 LEU H H 167 7.699 7.699 7.591 0.108 19221 9036 1 9 . 1 1 168 168 VAL N N 168 125.350 125.350 117.939 7.411 19221 9037 1 9 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.753 0.086 19221 9038 1 9 . 1 1 168 168 VAL C C 168 174.792 174.792 174.906 -0.114 19221 9039 1 9 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.470 -0.340 19221 9040 1 9 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.066 -1.717 19221 9041 1 9 . 1 1 168 168 VAL H H 168 9.445 9.445 8.879 0.566 19221 9042 1 9 . 1 1 169 169 THR N N 169 123.020 123.020 122.858 0.162 19221 9043 1 9 . 1 1 169 169 THR HA H 169 4.869 4.869 5.062 -0.193 19221 9044 1 9 . 1 1 169 169 THR C C 169 173.876 173.876 173.492 0.384 19221 9045 1 9 . 1 1 169 169 THR CA C 169 61.580 61.580 61.685 -0.105 19221 9046 1 9 . 1 1 169 169 THR CB C 169 69.750 69.750 70.161 -0.411 19221 9047 1 9 . 1 1 169 169 THR H H 169 8.824 8.824 9.070 -0.246 19221 9048 1 9 . 1 1 170 170 ILE N N 170 126.700 126.700 127.430 -0.730 19221 9049 1 9 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.380 0.162 19221 9050 1 9 . 1 1 170 170 ILE C C 170 175.672 175.672 175.657 0.015 19221 9051 1 9 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.336 -0.006 19221 9052 1 9 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.386 -0.776 19221 9053 1 9 . 1 1 170 170 ILE H H 170 8.911 8.911 8.656 0.255 19221 9054 1 9 . 1 1 171 171 SER N N 171 122.780 122.780 118.533 4.247 19221 9055 1 9 . 1 1 171 171 SER HA H 171 4.670 4.670 4.753 -0.083 19221 9056 1 9 . 1 1 171 171 SER C C 171 174.700 174.700 173.397 1.303 19221 9057 1 9 . 1 1 171 171 SER CA C 171 58.280 58.280 59.199 -0.919 19221 9058 1 9 . 1 1 171 171 SER CB C 171 64.560 64.560 66.159 -1.599 19221 9059 1 9 . 1 1 171 171 SER H H 171 9.242 9.242 9.213 0.029 19221 9060 1 9 . 1 1 172 172 TRP N N 172 123.970 123.970 120.328 3.642 19221 9061 1 9 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.799 -0.164 19221 9062 1 9 . 1 1 172 172 TRP C C 172 172.618 172.618 173.364 -0.746 19221 9063 1 9 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.071 0.839 19221 9064 1 9 . 1 1 172 172 TRP CB C 172 31.650 31.650 31.970 -0.320 19221 9065 1 9 . 1 1 172 172 TRP H H 172 7.929 7.929 7.698 0.231 19221 9066 1 9 . 1 1 173 173 VAL N N 173 123.660 123.660 122.268 1.392 19221 9067 1 9 . 1 1 173 173 VAL HA H 173 4.130 4.130 3.964 0.166 19221 9068 1 9 . 1 1 173 173 VAL C C 173 170.746 170.746 172.780 -2.034 19221 9069 1 9 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.622 -0.522 19221 9070 1 9 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.848 0.372 19221 9071 1 9 . 1 1 173 173 VAL H H 173 6.764 6.764 7.278 -0.514 19221 9072 1 9 . 1 1 174 174 GLN N N 174 126.430 126.430 125.504 0.926 19221 9073 1 9 . 1 1 174 174 GLN HA H 174 3.606 3.606 4.223 -0.617 19221 9074 1 9 . 1 1 174 174 GLN C C 174 172.955 172.955 175.804 -2.849 19221 9075 1 9 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.349 -0.299 19221 9076 1 9 . 1 1 174 174 GLN CB C 174 29.760 29.760 30.104 -0.344 19221 9077 1 9 . 1 1 174 174 GLN H H 174 7.071 7.071 8.373 -1.302 19221 9078 1 9 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.231 -0.370 19221 9079 1 9 . 1 1 175 175 PRO C C 175 175.955 175.955 175.972 -0.017 19221 9080 1 9 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.802 -1.052 19221 9081 1 9 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.480 -0.080 19221 9082 1 10 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.522 -0.382 19221 9083 1 10 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.391 -0.300 19221 9084 1 10 . 1 1 2 2 LYS CB C 2 32.930 32.930 32.969 -0.039 19221 9085 1 10 . 1 1 4 4 ASP C C 4 176.140 176.140 174.829 1.311 19221 9086 1 10 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.267 2.263 19221 9087 1 10 . 1 1 4 4 ASP CB C 4 41.980 41.980 42.756 -0.776 19221 9088 1 10 . 1 1 5 5 PHE N N 5 122.270 122.270 122.815 -0.545 19221 9089 1 10 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.588 -0.409 19221 9090 1 10 . 1 1 5 5 PHE C C 5 177.706 177.706 176.797 0.909 19221 9091 1 10 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.154 0.726 19221 9092 1 10 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.459 -0.559 19221 9093 1 10 . 1 1 5 5 PHE H H 5 7.853 7.853 8.964 -1.111 19221 9094 1 10 . 1 1 6 6 ASN N N 6 114.920 114.920 118.913 -3.993 19221 9095 1 10 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.461 -0.060 19221 9096 1 10 . 1 1 6 6 ASN C C 6 176.990 176.990 177.464 -0.474 19221 9097 1 10 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.623 -0.153 19221 9098 1 10 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.465 0.758 19221 9099 1 10 . 1 1 6 6 ASN H H 6 8.051 8.051 8.911 -0.860 19221 9100 1 10 . 1 1 7 7 SER N N 7 112.970 112.970 117.008 -4.038 19221 9101 1 10 . 1 1 7 7 SER HA H 7 4.435 4.435 4.412 0.023 19221 9102 1 10 . 1 1 7 7 SER C C 7 177.780 177.780 176.532 1.248 19221 9103 1 10 . 1 1 7 7 SER CA C 7 61.440 61.440 62.184 -0.744 19221 9104 1 10 . 1 1 7 7 SER CB C 7 62.770 62.770 63.226 -0.456 19221 9105 1 10 . 1 1 7 7 SER H H 7 8.041 8.041 8.810 -0.769 19221 9106 1 10 . 1 1 8 8 PHE N N 8 123.560 123.560 124.109 -0.549 19221 9107 1 10 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.475 -0.408 19221 9108 1 10 . 1 1 8 8 PHE C C 8 177.959 177.959 177.494 0.465 19221 9109 1 10 . 1 1 8 8 PHE CA C 8 62.110 62.110 60.580 1.530 19221 9110 1 10 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.215 -0.249 19221 9111 1 10 . 1 1 8 8 PHE H H 8 8.364 8.364 8.246 0.118 19221 9112 1 10 . 1 1 9 9 TYR N N 9 122.550 122.550 121.162 1.388 19221 9113 1 10 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.905 0.095 19221 9114 1 10 . 1 1 9 9 TYR C C 9 176.360 176.360 176.858 -0.498 19221 9115 1 10 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.555 -0.545 19221 9116 1 10 . 1 1 9 9 TYR CB C 9 38.200 38.200 37.880 0.320 19221 9117 1 10 . 1 1 9 9 TYR H H 9 8.230 8.230 8.830 -0.600 19221 9118 1 10 . 1 1 10 10 TYR N N 10 115.490 115.490 116.066 -0.576 19221 9119 1 10 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.038 0.068 19221 9120 1 10 . 1 1 10 10 TYR C C 10 180.280 180.280 177.917 2.363 19221 9121 1 10 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.604 0.916 19221 9122 1 10 . 1 1 10 10 TYR CB C 10 37.930 37.930 37.872 0.058 19221 9123 1 10 . 1 1 10 10 TYR H H 10 7.958 7.958 7.468 0.490 19221 9124 1 10 . 1 1 11 11 THR N N 11 115.140 115.140 117.475 -2.335 19221 9125 1 10 . 1 1 11 11 THR HA H 11 3.934 3.934 3.891 0.043 19221 9126 1 10 . 1 1 11 11 THR CA C 11 66.560 66.560 67.247 -0.687 19221 9127 1 10 . 1 1 11 11 THR CB C 11 68.750 68.750 68.122 0.628 19221 9128 1 10 . 1 1 11 11 THR H H 11 8.806 8.806 8.455 0.351 19221 9129 1 10 . 1 1 12 12 SER N N 12 120.384 120.384 118.125 2.259 19221 9130 1 10 . 1 1 12 12 SER HA H 12 3.346 3.346 3.967 -0.621 19221 9131 1 10 . 1 1 12 12 SER C C 12 175.891 175.891 176.583 -0.692 19221 9132 1 10 . 1 1 12 12 SER CA C 12 62.740 62.740 61.954 0.786 19221 9133 1 10 . 1 1 12 12 SER CB C 12 62.580 62.580 62.817 -0.237 19221 9134 1 10 . 1 1 12 12 SER H H 12 8.151 8.151 8.060 0.091 19221 9135 1 10 . 1 1 13 13 LEU N N 13 121.640 121.640 122.191 -0.551 19221 9136 1 10 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.897 -0.096 19221 9137 1 10 . 1 1 13 13 LEU C C 13 180.374 180.374 178.780 1.594 19221 9138 1 10 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.795 0.555 19221 9139 1 10 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.593 -0.183 19221 9140 1 10 . 1 1 13 13 LEU H H 13 7.893 7.893 8.022 -0.129 19221 9141 1 10 . 1 1 14 14 LEU N N 14 120.470 120.470 120.747 -0.277 19221 9142 1 10 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.852 0.309 19221 9143 1 10 . 1 1 14 14 LEU C C 14 179.880 179.880 178.253 1.627 19221 9144 1 10 . 1 1 14 14 LEU CA C 14 58.000 58.000 58.192 -0.192 19221 9145 1 10 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.896 -0.346 19221 9146 1 10 . 1 1 14 14 LEU H H 14 7.528 7.528 8.351 -0.823 19221 9147 1 10 . 1 1 15 15 TYR N N 15 122.257 122.257 120.358 1.899 19221 9148 1 10 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.164 0.101 19221 9149 1 10 . 1 1 15 15 TYR C C 15 177.033 177.033 178.005 -0.972 19221 9150 1 10 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.218 -0.488 19221 9151 1 10 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.615 -0.515 19221 9152 1 10 . 1 1 15 15 TYR H H 15 8.135 8.135 8.403 -0.268 19221 9153 1 10 . 1 1 16 16 LEU N N 16 118.440 118.440 117.831 0.609 19221 9154 1 10 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.936 -0.131 19221 9155 1 10 . 1 1 16 16 LEU C C 16 179.055 179.055 179.006 0.049 19221 9156 1 10 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.710 -0.497 19221 9157 1 10 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.450 0.615 19221 9158 1 10 . 1 1 16 16 LEU H H 16 8.452 8.452 7.849 0.603 19221 9159 1 10 . 1 1 17 17 SER N N 17 114.450 114.450 115.026 -0.576 19221 9160 1 10 . 1 1 17 17 SER HA H 17 4.430 4.430 4.246 0.184 19221 9161 1 10 . 1 1 17 17 SER C C 17 175.197 175.197 175.938 -0.741 19221 9162 1 10 . 1 1 17 17 SER CA C 17 61.040 61.040 61.509 -0.469 19221 9163 1 10 . 1 1 17 17 SER CB C 17 63.460 63.460 63.383 0.077 19221 9164 1 10 . 1 1 17 17 SER H H 17 7.848 7.848 8.193 -0.345 19221 9165 1 10 . 1 1 18 18 THR N N 18 110.850 110.850 111.328 -0.478 19221 9166 1 10 . 1 1 18 18 THR HA H 18 4.452 4.452 4.161 0.291 19221 9167 1 10 . 1 1 18 18 THR C C 18 174.439 174.439 175.128 -0.689 19221 9168 1 10 . 1 1 18 18 THR CA C 18 61.421 61.421 62.438 -1.017 19221 9169 1 10 . 1 1 18 18 THR CB C 18 69.940 69.940 69.335 0.605 19221 9170 1 10 . 1 1 18 18 THR H H 18 7.505 7.505 7.857 -0.352 19221 9171 1 10 . 1 1 19 19 LEU N N 19 123.180 123.180 122.875 0.305 19221 9172 1 10 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.169 -0.009 19221 9173 1 10 . 1 1 19 19 LEU C C 19 176.926 176.926 176.370 0.556 19221 9174 1 10 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.117 0.173 19221 9175 1 10 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.946 -0.498 19221 9176 1 10 . 1 1 19 19 LEU H H 19 7.095 7.095 7.123 -0.028 19221 9177 1 10 . 1 1 20 20 GLU N N 20 125.330 125.330 122.930 2.400 19221 9178 1 10 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.264 0.344 19221 9179 1 10 . 1 1 20 20 GLU C C 20 175.915 175.915 176.418 -0.503 19221 9180 1 10 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.900 -1.127 19221 9181 1 10 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.325 0.265 19221 9182 1 10 . 1 1 20 20 GLU H H 20 8.535 8.535 8.594 -0.059 19221 9183 1 10 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.269 0.064 19221 9184 1 10 . 1 1 21 21 PRO C C 21 177.196 177.196 177.244 -0.048 19221 9185 1 10 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.189 0.591 19221 9186 1 10 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.672 0.178 19221 9187 1 10 . 1 1 22 22 SER N N 22 111.220 111.220 113.468 -2.248 19221 9188 1 10 . 1 1 22 22 SER HA H 22 4.398 4.398 4.412 -0.014 19221 9189 1 10 . 1 1 22 22 SER C C 22 175.056 175.056 174.943 0.113 19221 9190 1 10 . 1 1 22 22 SER CA C 22 58.530 58.530 59.071 -0.541 19221 9191 1 10 . 1 1 22 22 SER CB C 22 63.500 63.500 63.117 0.383 19221 9192 1 10 . 1 1 22 22 SER H H 22 7.967 7.967 8.162 -0.195 19221 9193 1 10 . 1 1 23 23 THR N N 23 117.440 117.440 114.489 2.951 19221 9194 1 10 . 1 1 23 23 THR HA H 23 4.279 4.279 3.916 0.363 19221 9195 1 10 . 1 1 23 23 THR C C 23 174.573 174.573 175.064 -0.491 19221 9196 1 10 . 1 1 23 23 THR CA C 23 62.920 62.920 63.167 -0.247 19221 9197 1 10 . 1 1 23 23 THR CB C 23 69.260 69.260 67.243 2.017 19221 9198 1 10 . 1 1 23 23 THR H H 23 7.936 7.936 7.949 -0.013 19221 9199 1 10 . 1 1 24 24 SER N N 24 119.820 119.820 115.572 4.248 19221 9200 1 10 . 1 1 24 24 SER HA H 24 4.485 4.485 4.120 0.365 19221 9201 1 10 . 1 1 24 24 SER C C 24 174.082 174.082 174.650 -0.568 19221 9202 1 10 . 1 1 24 24 SER CA C 24 58.600 58.600 59.987 -1.387 19221 9203 1 10 . 1 1 24 24 SER CB C 24 63.430 63.430 62.846 0.584 19221 9204 1 10 . 1 1 24 24 SER H H 24 8.438 8.438 8.701 -0.263 19221 9205 1 10 . 1 1 25 25 ILE N N 25 123.140 123.140 120.722 2.418 19221 9206 1 10 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.138 0.341 19221 9207 1 10 . 1 1 25 25 ILE C C 25 176.472 176.472 176.433 0.039 19221 9208 1 10 . 1 1 25 25 ILE CA C 25 61.010 61.010 61.128 -0.118 19221 9209 1 10 . 1 1 25 25 ILE CB C 25 39.460 39.460 38.697 0.763 19221 9210 1 10 . 1 1 25 25 ILE H H 25 7.870 7.870 7.661 0.209 19221 9211 1 10 . 1 1 26 26 THR N N 26 118.120 118.120 117.536 0.584 19221 9212 1 10 . 1 1 26 26 THR HA H 26 4.394 4.394 4.376 0.018 19221 9213 1 10 . 1 1 26 26 THR C C 26 175.540 175.540 175.588 -0.048 19221 9214 1 10 . 1 1 26 26 THR CA C 26 61.890 61.890 61.608 0.281 19221 9215 1 10 . 1 1 26 26 THR CB C 26 71.320 71.320 70.097 1.223 19221 9216 1 10 . 1 1 26 26 THR H H 26 8.649 8.649 8.247 0.402 19221 9217 1 10 . 1 1 27 27 LEU N N 27 123.130 123.130 122.178 0.952 19221 9218 1 10 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.026 0.063 19221 9219 1 10 . 1 1 27 27 LEU C C 27 178.653 178.653 178.068 0.585 19221 9220 1 10 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.342 0.418 19221 9221 1 10 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.458 -0.278 19221 9222 1 10 . 1 1 27 27 LEU H H 27 8.766 8.766 8.519 0.247 19221 9223 1 10 . 1 1 28 28 ALA N N 28 119.510 119.510 121.065 -1.555 19221 9224 1 10 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.034 0.229 19221 9225 1 10 . 1 1 28 28 ALA C C 28 178.218 178.218 179.759 -1.541 19221 9226 1 10 . 1 1 28 28 ALA CA C 28 55.320 55.320 55.011 0.309 19221 9227 1 10 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.092 0.028 19221 9228 1 10 . 1 1 28 28 ALA H H 28 8.546 8.546 8.340 0.206 19221 9229 1 10 . 1 1 29 29 GLU N N 29 118.210 118.210 118.125 0.085 19221 9230 1 10 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.067 0.014 19221 9231 1 10 . 1 1 29 29 GLU C C 29 179.929 179.929 179.269 0.660 19221 9232 1 10 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.120 0.180 19221 9233 1 10 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.637 0.438 19221 9234 1 10 . 1 1 29 29 GLU H H 29 7.719 7.719 8.039 -0.320 19221 9235 1 10 . 1 1 30 30 ARG N N 30 121.350 121.350 120.634 0.716 19221 9236 1 10 . 1 1 30 30 ARG HA H 30 3.959 3.959 3.987 -0.028 19221 9237 1 10 . 1 1 30 30 ARG C C 30 177.538 177.538 178.827 -1.289 19221 9238 1 10 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.981 0.664 19221 9239 1 10 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.097 0.903 19221 9240 1 10 . 1 1 30 30 ARG H H 30 8.410 8.410 8.332 0.078 19221 9241 1 10 . 1 1 31 31 GLN N N 31 117.670 117.670 119.036 -1.366 19221 9242 1 10 . 1 1 31 31 GLN HA H 31 3.952 3.952 3.933 0.019 19221 9243 1 10 . 1 1 31 31 GLN C C 31 178.220 178.220 178.745 -0.525 19221 9244 1 10 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.184 -0.229 19221 9245 1 10 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.531 0.099 19221 9246 1 10 . 1 1 31 31 GLN H H 31 8.742 8.742 8.496 0.246 19221 9247 1 10 . 1 1 32 32 GLN N N 32 117.910 117.910 118.769 -0.859 19221 9248 1 10 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.010 -0.023 19221 9249 1 10 . 1 1 32 32 GLN C C 32 177.712 177.712 178.763 -1.051 19221 9250 1 10 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.335 -0.005 19221 9251 1 10 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.328 -0.008 19221 9252 1 10 . 1 1 32 32 GLN H H 32 7.732 7.732 7.807 -0.075 19221 9253 1 10 . 1 1 33 33 LEU N N 33 119.680 119.680 121.521 -1.841 19221 9254 1 10 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.107 0.297 19221 9255 1 10 . 1 1 33 33 LEU C C 33 178.876 178.876 177.881 0.995 19221 9256 1 10 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.291 0.759 19221 9257 1 10 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.431 0.369 19221 9258 1 10 . 1 1 33 33 LEU H H 33 7.846 7.846 8.505 -0.659 19221 9259 1 10 . 1 1 34 34 ALA N N 34 121.660 121.660 122.503 -0.843 19221 9260 1 10 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.957 -0.216 19221 9261 1 10 . 1 1 34 34 ALA C C 34 180.025 180.025 179.100 0.925 19221 9262 1 10 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.425 0.245 19221 9263 1 10 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.121 0.819 19221 9264 1 10 . 1 1 34 34 ALA H H 34 8.308 8.308 8.569 -0.261 19221 9265 1 10 . 1 1 35 35 TYR N N 35 120.860 120.860 119.653 1.207 19221 9266 1 10 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.862 -0.104 19221 9267 1 10 . 1 1 35 35 TYR C C 35 176.384 176.384 177.225 -0.841 19221 9268 1 10 . 1 1 35 35 TYR CA C 35 62.020 62.020 62.027 -0.007 19221 9269 1 10 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.077 0.383 19221 9270 1 10 . 1 1 35 35 TYR H H 35 8.457 8.457 8.574 -0.117 19221 9271 1 10 . 1 1 36 36 ASP N N 36 120.570 120.570 119.667 0.903 19221 9272 1 10 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.232 0.003 19221 9273 1 10 . 1 1 36 36 ASP C C 36 180.544 180.544 178.657 1.887 19221 9274 1 10 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.656 0.284 19221 9275 1 10 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.887 -0.417 19221 9276 1 10 . 1 1 36 36 ASP H H 36 9.072 9.072 8.468 0.604 19221 9277 1 10 . 1 1 37 37 LEU N N 37 123.000 123.000 120.232 2.768 19221 9278 1 10 . 1 1 37 37 LEU HA H 37 4.146 4.146 3.967 0.179 19221 9279 1 10 . 1 1 37 37 LEU C C 37 178.743 178.743 179.074 -0.331 19221 9280 1 10 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.580 0.034 19221 9281 1 10 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.995 0.815 19221 9282 1 10 . 1 1 37 37 LEU H H 37 9.068 9.068 8.553 0.515 19221 9283 1 10 . 1 1 38 38 SER N N 38 116.650 116.650 115.536 1.114 19221 9284 1 10 . 1 1 38 38 SER HA H 38 3.680 3.680 4.127 -0.447 19221 9285 1 10 . 1 1 38 38 SER C C 38 174.113 174.113 176.732 -2.619 19221 9286 1 10 . 1 1 38 38 SER CA C 38 59.430 59.430 62.193 -2.763 19221 9287 1 10 . 1 1 38 38 SER CB C 38 63.559 63.559 62.886 0.673 19221 9288 1 10 . 1 1 38 38 SER H H 38 7.824 7.824 8.052 -0.228 19221 9289 1 10 . 1 1 39 39 ILE N N 39 121.198 121.198 122.265 -1.067 19221 9290 1 10 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.642 -0.237 19221 9291 1 10 . 1 1 39 39 ILE C C 39 176.113 176.113 177.774 -1.661 19221 9292 1 10 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.094 -0.734 19221 9293 1 10 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.520 -1.172 19221 9294 1 10 . 1 1 39 39 ILE H H 39 8.313 8.313 8.434 -0.121 19221 9295 1 10 . 1 1 40 40 SER N N 40 115.537 115.537 116.438 -0.901 19221 9296 1 10 . 1 1 40 40 SER HA H 40 4.534 4.534 4.217 0.317 19221 9297 1 10 . 1 1 40 40 SER C C 40 174.881 174.881 176.657 -1.776 19221 9298 1 10 . 1 1 40 40 SER CA C 40 62.520 62.520 62.498 0.022 19221 9299 1 10 . 1 1 40 40 SER CB C 40 62.670 62.670 62.797 -0.127 19221 9300 1 10 . 1 1 40 40 SER H H 40 7.961 7.961 8.521 -0.560 19221 9301 1 10 . 1 1 41 41 ALA N N 41 123.360 123.360 124.462 -1.102 19221 9302 1 10 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.712 -0.120 19221 9303 1 10 . 1 1 41 41 ALA C C 41 178.822 178.822 178.429 0.393 19221 9304 1 10 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.561 -0.439 19221 9305 1 10 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.259 0.131 19221 9306 1 10 . 1 1 41 41 ALA H H 41 7.878 7.878 7.812 0.066 19221 9307 1 10 . 1 1 42 42 LEU N N 42 115.790 115.790 117.966 -2.176 19221 9308 1 10 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.051 -0.475 19221 9309 1 10 . 1 1 42 42 LEU C C 42 179.683 179.683 179.069 0.614 19221 9310 1 10 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.025 1.706 19221 9311 1 10 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.252 -0.042 19221 9312 1 10 . 1 1 42 42 LEU H H 42 7.737 7.737 7.386 0.351 19221 9313 1 10 . 1 1 43 43 LEU N N 43 113.670 113.670 117.483 -3.813 19221 9314 1 10 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.162 -0.155 19221 9315 1 10 . 1 1 43 43 LEU C C 43 177.279 177.279 178.544 -1.265 19221 9316 1 10 . 1 1 43 43 LEU CA C 43 54.930 54.930 56.155 -1.225 19221 9317 1 10 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.630 -0.810 19221 9318 1 10 . 1 1 43 43 LEU H H 43 7.798 7.798 8.245 -0.447 19221 9319 1 10 . 1 1 44 44 GLY N N 44 108.270 108.270 107.003 1.267 19221 9320 1 10 . 1 1 44 44 GLY C C 44 177.020 177.020 173.846 3.174 19221 9321 1 10 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.808 2.082 19221 9322 1 10 . 1 1 44 44 GLY H H 44 7.984 7.984 8.321 -0.337 19221 9323 1 10 . 1 1 45 45 ASP N N 45 128.400 128.400 124.285 4.115 19221 9324 1 10 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.222 0.337 19221 9325 1 10 . 1 1 45 45 ASP C C 45 177.183 177.183 177.409 -0.226 19221 9326 1 10 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.542 -1.092 19221 9327 1 10 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.025 -1.234 19221 9328 1 10 . 1 1 45 45 ASP H H 45 9.073 9.073 7.928 1.145 19221 9329 1 10 . 1 1 46 46 LYS N N 46 117.230 117.230 119.364 -2.134 19221 9330 1 10 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.118 0.827 19221 9331 1 10 . 1 1 46 46 LYS C C 46 176.544 176.544 177.655 -1.111 19221 9332 1 10 . 1 1 46 46 LYS CA C 46 55.610 55.610 57.653 -2.043 19221 9333 1 10 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.422 1.538 19221 9334 1 10 . 1 1 46 46 LYS H H 46 8.987 8.987 8.144 0.843 19221 9335 1 10 . 1 1 47 47 ILE N N 47 121.540 121.540 118.138 3.402 19221 9336 1 10 . 1 1 47 47 ILE HA H 47 4.097 4.097 4.096 0.001 19221 9337 1 10 . 1 1 47 47 ILE C C 47 174.082 174.082 175.904 -1.822 19221 9338 1 10 . 1 1 47 47 ILE CA C 47 61.080 61.080 61.931 -0.851 19221 9339 1 10 . 1 1 47 47 ILE CB C 47 37.008 37.008 38.542 -1.534 19221 9340 1 10 . 1 1 47 47 ILE H H 47 6.840 6.840 8.002 -1.162 19221 9341 1 10 . 1 1 48 48 TYR N N 48 123.820 123.820 120.140 3.680 19221 9342 1 10 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.604 -0.295 19221 9343 1 10 . 1 1 48 48 TYR C C 48 173.249 173.249 173.842 -0.593 19221 9344 1 10 . 1 1 48 48 TYR CA C 48 57.350 57.350 57.049 0.301 19221 9345 1 10 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.624 -0.394 19221 9346 1 10 . 1 1 48 48 TYR H H 48 8.511 8.511 8.030 0.481 19221 9347 1 10 . 1 1 49 49 ASN N N 49 116.100 116.100 119.535 -3.435 19221 9348 1 10 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.188 0.263 19221 9349 1 10 . 1 1 49 49 ASN C C 49 175.429 175.429 174.941 0.488 19221 9350 1 10 . 1 1 49 49 ASN CA C 49 53.077 53.077 53.311 -0.234 19221 9351 1 10 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.929 0.987 19221 9352 1 10 . 1 1 49 49 ASN H H 49 6.906 6.906 6.672 0.234 19221 9353 1 10 . 1 1 50 50 PHE N N 50 124.360 124.360 119.116 5.244 19221 9354 1 10 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.842 0.169 19221 9355 1 10 . 1 1 50 50 PHE C C 50 176.190 176.190 176.107 0.083 19221 9356 1 10 . 1 1 50 50 PHE CA C 50 55.863 55.863 56.754 -0.891 19221 9357 1 10 . 1 1 50 50 PHE CB C 50 38.482 38.482 39.032 -0.550 19221 9358 1 10 . 1 1 50 50 PHE H H 50 8.980 8.980 7.820 1.160 19221 9359 1 10 . 1 1 51 51 GLY N N 51 109.740 109.740 111.096 -1.356 19221 9360 1 10 . 1 1 51 51 GLY C C 51 175.758 175.758 175.831 -0.073 19221 9361 1 10 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.370 0.930 19221 9362 1 10 . 1 1 51 51 GLY H H 51 8.658 8.658 8.281 0.377 19221 9363 1 10 . 1 1 52 52 GLU N N 52 120.700 120.700 121.410 -0.710 19221 9364 1 10 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.206 -0.124 19221 9365 1 10 . 1 1 52 52 GLU C C 52 178.240 178.240 179.132 -0.892 19221 9366 1 10 . 1 1 52 52 GLU CA C 52 59.210 59.210 58.364 0.846 19221 9367 1 10 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.026 0.714 19221 9368 1 10 . 1 1 52 52 GLU H H 52 8.321 8.321 8.205 0.116 19221 9369 1 10 . 1 1 53 53 LEU N N 53 119.400 119.400 122.519 -3.119 19221 9370 1 10 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.070 0.088 19221 9371 1 10 . 1 1 53 53 LEU C C 53 178.344 178.344 179.029 -0.685 19221 9372 1 10 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.943 -0.153 19221 9373 1 10 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.917 0.923 19221 9374 1 10 . 1 1 53 53 LEU H H 53 7.694 7.694 8.195 -0.501 19221 9375 1 10 . 1 1 54 54 LEU N N 54 114.230 114.230 117.365 -3.135 19221 9376 1 10 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.306 -0.383 19221 9377 1 10 . 1 1 54 54 LEU C C 54 178.643 178.643 176.812 1.831 19221 9378 1 10 . 1 1 54 54 LEU CA C 54 57.730 57.730 55.770 1.960 19221 9379 1 10 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.662 0.188 19221 9380 1 10 . 1 1 54 54 LEU H H 54 8.369 8.369 8.172 0.197 19221 9381 1 10 . 1 1 55 55 HIS N N 55 113.420 113.420 113.987 -0.567 19221 9382 1 10 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.889 -0.182 19221 9383 1 10 . 1 1 55 55 HIS C C 55 173.981 173.981 174.464 -0.483 19221 9384 1 10 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.415 0.105 19221 9385 1 10 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.194 -1.914 19221 9386 1 10 . 1 1 55 55 HIS H H 55 7.569 7.569 7.628 -0.059 19221 9387 1 10 . 1 1 56 56 HIS N N 56 126.050 126.050 122.602 3.448 19221 9388 1 10 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.701 -0.220 19221 9389 1 10 . 1 1 56 56 HIS C C 56 176.705 176.705 175.230 1.475 19221 9390 1 10 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.871 2.479 19221 9391 1 10 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.865 -0.145 19221 9392 1 10 . 1 1 56 56 HIS H H 56 8.068 8.068 7.786 0.282 19221 9393 1 10 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.359 0.018 19221 9394 1 10 . 1 1 57 57 PRO C C 57 179.790 179.790 178.682 1.108 19221 9395 1 10 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.972 0.469 19221 9396 1 10 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.911 0.519 19221 9397 1 10 . 1 1 58 58 ILE N N 58 124.900 124.900 120.213 4.687 19221 9398 1 10 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.786 0.484 19221 9399 1 10 . 1 1 58 58 ILE C C 58 177.782 177.782 176.801 0.981 19221 9400 1 10 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.663 -1.133 19221 9401 1 10 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.706 0.564 19221 9402 1 10 . 1 1 58 58 ILE H H 58 11.871 11.871 7.607 4.264 19221 9403 1 10 . 1 1 59 59 MET N N 59 120.230 120.230 115.010 5.220 19221 9404 1 10 . 1 1 59 59 MET HA H 59 4.431 4.431 4.683 -0.252 19221 9405 1 10 . 1 1 59 59 MET C C 59 178.757 178.757 177.678 1.079 19221 9406 1 10 . 1 1 59 59 MET CA C 59 55.720 55.720 57.014 -1.294 19221 9407 1 10 . 1 1 59 59 MET CB C 59 30.980 30.980 32.487 -1.507 19221 9408 1 10 . 1 1 59 59 MET H H 59 8.152 8.152 8.014 0.138 19221 9409 1 10 . 1 1 60 60 GLU N N 60 119.080 119.080 121.224 -2.144 19221 9410 1 10 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.875 0.133 19221 9411 1 10 . 1 1 60 60 GLU C C 60 178.242 178.242 178.025 0.217 19221 9412 1 10 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.002 -0.482 19221 9413 1 10 . 1 1 60 60 GLU CB C 60 29.547 29.547 29.069 0.478 19221 9414 1 10 . 1 1 60 60 GLU H H 60 7.889 7.889 7.959 -0.070 19221 9415 1 10 . 1 1 61 61 THR N N 61 106.740 106.740 109.536 -2.796 19221 9416 1 10 . 1 1 61 61 THR HA H 61 4.120 4.120 4.077 0.043 19221 9417 1 10 . 1 1 61 61 THR C C 61 176.056 176.056 176.107 -0.051 19221 9418 1 10 . 1 1 61 61 THR CA C 61 64.520 64.520 64.647 -0.127 19221 9419 1 10 . 1 1 61 61 THR CB C 61 69.420 69.420 68.914 0.506 19221 9420 1 10 . 1 1 61 61 THR H H 61 7.558 7.558 7.647 -0.089 19221 9421 1 10 . 1 1 62 62 ILE N N 62 113.140 113.140 114.320 -1.180 19221 9422 1 10 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.555 0.032 19221 9423 1 10 . 1 1 62 62 ILE C C 62 176.843 176.843 177.135 -0.292 19221 9424 1 10 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.571 0.219 19221 9425 1 10 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.842 0.528 19221 9426 1 10 . 1 1 62 62 ILE H H 62 7.235 7.235 7.561 -0.326 19221 9427 1 10 . 1 1 63 63 VAL N N 63 122.110 122.110 119.896 2.214 19221 9428 1 10 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.746 -0.400 19221 9429 1 10 . 1 1 63 63 VAL C C 63 175.165 175.165 176.163 -0.998 19221 9430 1 10 . 1 1 63 63 VAL CA C 63 64.440 64.440 64.642 -0.202 19221 9431 1 10 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.312 -0.113 19221 9432 1 10 . 1 1 63 63 VAL H H 63 7.436 7.436 7.783 -0.347 19221 9433 1 10 . 1 1 64 64 ASN N N 64 116.810 116.810 114.677 2.133 19221 9434 1 10 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.699 0.082 19221 9435 1 10 . 1 1 64 64 ASN C C 64 174.101 174.101 174.555 -0.454 19221 9436 1 10 . 1 1 64 64 ASN CA C 64 52.900 52.900 52.982 -0.082 19221 9437 1 10 . 1 1 64 64 ASN CB C 64 38.779 38.779 39.427 -0.648 19221 9438 1 10 . 1 1 64 64 ASN H H 64 8.352 8.352 7.997 0.355 19221 9439 1 10 . 1 1 65 65 ASP N N 65 120.930 120.930 119.661 1.269 19221 9440 1 10 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.882 -0.002 19221 9441 1 10 . 1 1 65 65 ASP C C 65 177.534 177.534 176.905 0.629 19221 9442 1 10 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.795 0.375 19221 9443 1 10 . 1 1 65 65 ASP CB C 65 43.100 43.100 42.546 0.554 19221 9444 1 10 . 1 1 65 65 ASP H H 65 7.453 7.453 7.768 -0.315 19221 9445 1 10 . 1 1 66 66 SER HA H 66 4.356 4.356 4.131 0.225 19221 9446 1 10 . 1 1 66 66 SER C C 66 176.310 176.310 175.552 0.758 19221 9447 1 10 . 1 1 66 66 SER CA C 66 61.350 61.350 61.807 -0.457 19221 9448 1 10 . 1 1 66 66 SER CB C 66 63.120 63.120 63.387 -0.267 19221 9449 1 10 . 1 1 66 66 SER H H 66 7.010 7.010 8.938 -1.928 19221 9450 1 10 . 1 1 67 67 ASN N N 67 120.050 120.050 119.445 0.605 19221 9451 1 10 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.517 0.088 19221 9452 1 10 . 1 1 67 67 ASN C C 67 176.107 176.107 176.569 -0.462 19221 9453 1 10 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.575 -0.005 19221 9454 1 10 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.866 -0.266 19221 9455 1 10 . 1 1 67 67 ASN H H 67 9.014 9.014 8.153 0.861 19221 9456 1 10 . 1 1 68 68 TYR N N 68 114.840 114.840 114.229 0.611 19221 9457 1 10 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.156 0.363 19221 9458 1 10 . 1 1 68 68 TYR C C 68 175.709 175.709 176.236 -0.527 19221 9459 1 10 . 1 1 68 68 TYR CA C 68 57.610 57.610 57.767 -0.157 19221 9460 1 10 . 1 1 68 68 TYR CB C 68 39.750 39.750 40.250 -0.500 19221 9461 1 10 . 1 1 68 68 TYR H H 68 8.276 8.276 8.276 0.000 19221 9462 1 10 . 1 1 69 69 ASP N N 69 122.810 122.810 122.839 -0.029 19221 9463 1 10 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.435 0.017 19221 9464 1 10 . 1 1 69 69 ASP C C 69 178.371 178.371 177.516 0.855 19221 9465 1 10 . 1 1 69 69 ASP CA C 69 58.630 58.630 57.805 0.825 19221 9466 1 10 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.766 -0.136 19221 9467 1 10 . 1 1 69 69 ASP H H 69 7.806 7.806 8.746 -0.940 19221 9468 1 10 . 1 1 70 70 TRP N N 70 117.270 117.270 118.482 -1.212 19221 9469 1 10 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.486 -0.322 19221 9470 1 10 . 1 1 70 70 TRP C C 70 176.090 176.090 177.725 -1.635 19221 9471 1 10 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.104 -0.574 19221 9472 1 10 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.268 -0.718 19221 9473 1 10 . 1 1 70 70 TRP H H 70 8.172 8.172 7.483 0.689 19221 9474 1 10 . 1 1 71 71 LEU N N 71 125.263 125.263 122.323 2.940 19221 9475 1 10 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.969 -0.729 19221 9476 1 10 . 1 1 71 71 LEU C C 71 178.306 178.306 178.237 0.069 19221 9477 1 10 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.289 0.321 19221 9478 1 10 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.651 0.539 19221 9479 1 10 . 1 1 71 71 LEU H H 71 6.251 6.251 6.901 -0.650 19221 9480 1 10 . 1 1 72 72 PHE N N 72 117.630 117.630 120.035 -2.405 19221 9481 1 10 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.947 -0.134 19221 9482 1 10 . 1 1 72 72 PHE C C 72 178.797 178.797 177.273 1.524 19221 9483 1 10 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.851 0.720 19221 9484 1 10 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.896 -0.086 19221 9485 1 10 . 1 1 72 72 PHE H H 72 6.996 6.996 7.534 -0.538 19221 9486 1 10 . 1 1 73 73 GLN N N 73 117.950 117.950 118.300 -0.350 19221 9487 1 10 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.702 0.364 19221 9488 1 10 . 1 1 73 73 GLN C C 73 179.341 179.341 178.541 0.800 19221 9489 1 10 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.916 0.174 19221 9490 1 10 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.721 -0.471 19221 9491 1 10 . 1 1 73 73 GLN H H 73 8.415 8.415 8.575 -0.160 19221 9492 1 10 . 1 1 74 74 LEU N N 74 122.275 122.275 121.442 0.833 19221 9493 1 10 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.076 -0.006 19221 9494 1 10 . 1 1 74 74 LEU C C 74 177.889 177.889 178.456 -0.567 19221 9495 1 10 . 1 1 74 74 LEU CA C 74 58.570 58.570 58.041 0.529 19221 9496 1 10 . 1 1 74 74 LEU CB C 74 42.180 42.180 42.215 -0.035 19221 9497 1 10 . 1 1 74 74 LEU H H 74 8.365 8.365 8.307 0.058 19221 9498 1 10 . 1 1 75 75 LEU N N 75 118.123 118.123 118.805 -0.682 19221 9499 1 10 . 1 1 75 75 LEU HA H 75 3.727 3.727 4.045 -0.318 19221 9500 1 10 . 1 1 75 75 LEU C C 75 180.172 180.172 178.393 1.779 19221 9501 1 10 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.050 0.403 19221 9502 1 10 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.341 0.999 19221 9503 1 10 . 1 1 75 75 LEU H H 75 8.210 8.210 8.294 -0.084 19221 9504 1 10 . 1 1 76 76 ASN N N 76 117.960 117.960 119.004 -1.044 19221 9505 1 10 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.067 0.308 19221 9506 1 10 . 1 1 76 76 ASN C C 76 176.582 176.582 177.035 -0.453 19221 9507 1 10 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.206 0.754 19221 9508 1 10 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.774 1.176 19221 9509 1 10 . 1 1 76 76 ASN H H 76 8.363 8.363 8.419 -0.056 19221 9510 1 10 . 1 1 77 77 ALA N N 77 121.740 121.740 122.685 -0.945 19221 9511 1 10 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.003 0.164 19221 9512 1 10 . 1 1 77 77 ALA C C 77 179.988 179.988 179.851 0.137 19221 9513 1 10 . 1 1 77 77 ALA CA C 77 55.560 55.560 55.004 0.556 19221 9514 1 10 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.247 -0.917 19221 9515 1 10 . 1 1 77 77 ALA H H 77 8.385 8.385 8.055 0.330 19221 9516 1 10 . 1 1 78 78 LEU N N 78 116.550 116.550 117.929 -1.379 19221 9517 1 10 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.745 -0.092 19221 9518 1 10 . 1 1 78 78 LEU C C 78 177.576 177.576 178.902 -1.326 19221 9519 1 10 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.753 1.231 19221 9520 1 10 . 1 1 78 78 LEU CB C 78 42.010 42.010 42.021 -0.011 19221 9521 1 10 . 1 1 78 78 LEU H H 78 7.965 7.965 8.439 -0.474 19221 9522 1 10 . 1 1 79 79 THR N N 79 113.220 113.220 114.514 -1.294 19221 9523 1 10 . 1 1 79 79 THR HA H 79 3.807 3.807 3.849 -0.042 19221 9524 1 10 . 1 1 79 79 THR C C 79 176.163 176.163 176.818 -0.655 19221 9525 1 10 . 1 1 79 79 THR CA C 79 66.980 66.980 66.044 0.936 19221 9526 1 10 . 1 1 79 79 THR CB C 79 69.240 69.240 68.578 0.662 19221 9527 1 10 . 1 1 79 79 THR H H 79 7.565 7.565 7.668 -0.103 19221 9528 1 10 . 1 1 80 80 VAL N N 80 110.800 110.800 115.871 -5.071 19221 9529 1 10 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.157 0.351 19221 9530 1 10 . 1 1 80 80 VAL C C 80 176.751 176.751 177.188 -0.437 19221 9531 1 10 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.671 -1.781 19221 9532 1 10 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.465 0.540 19221 9533 1 10 . 1 1 80 80 VAL H H 80 7.792 7.792 8.033 -0.241 19221 9534 1 10 . 1 1 81 81 GLY N N 81 112.910 112.910 109.607 3.303 19221 9535 1 10 . 1 1 81 81 GLY C C 81 173.874 173.874 174.312 -0.438 19221 9536 1 10 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.557 1.723 19221 9537 1 10 . 1 1 81 81 GLY H H 81 7.506 7.506 7.604 -0.098 19221 9538 1 10 . 1 1 82 82 ASP N N 82 119.112 119.112 122.111 -2.999 19221 9539 1 10 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.855 -0.015 19221 9540 1 10 . 1 1 82 82 ASP C C 82 175.706 175.706 176.811 -1.105 19221 9541 1 10 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.564 0.356 19221 9542 1 10 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.802 0.148 19221 9543 1 10 . 1 1 82 82 ASP H H 82 8.254 8.254 8.120 0.134 19221 9544 1 10 . 1 1 83 83 PHE N N 83 123.870 123.870 123.472 0.398 19221 9545 1 10 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.126 -0.298 19221 9546 1 10 . 1 1 83 83 PHE C C 83 177.950 177.950 176.747 1.203 19221 9547 1 10 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.839 1.731 19221 9548 1 10 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.157 0.963 19221 9549 1 10 . 1 1 83 83 PHE H H 83 8.025 8.025 8.183 -0.158 19221 9550 1 10 . 1 1 84 84 ASP N N 84 119.583 119.583 120.232 -0.649 19221 9551 1 10 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.188 0.334 19221 9552 1 10 . 1 1 84 84 ASP C C 84 179.005 179.005 178.290 0.715 19221 9553 1 10 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.042 0.618 19221 9554 1 10 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.298 0.262 19221 9555 1 10 . 1 1 84 84 ASP H H 84 8.464 8.464 7.185 1.279 19221 9556 1 10 . 1 1 85 85 LYS N N 85 122.200 122.200 119.895 2.305 19221 9557 1 10 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.012 0.080 19221 9558 1 10 . 1 1 85 85 LYS C C 85 178.580 178.580 179.006 -0.426 19221 9559 1 10 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.796 -0.546 19221 9560 1 10 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.206 0.104 19221 9561 1 10 . 1 1 85 85 LYS H H 85 8.009 8.009 8.225 -0.216 19221 9562 1 10 . 1 1 86 86 PHE N N 86 118.590 118.590 121.258 -2.668 19221 9563 1 10 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.092 -0.256 19221 9564 1 10 . 1 1 86 86 PHE C C 86 175.649 175.649 176.713 -1.064 19221 9565 1 10 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.599 0.811 19221 9566 1 10 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.994 1.086 19221 9567 1 10 . 1 1 86 86 PHE H H 86 8.331 8.331 8.783 -0.452 19221 9568 1 10 . 1 1 87 87 ASP N N 87 117.790 117.790 119.199 -1.409 19221 9569 1 10 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.038 0.160 19221 9570 1 10 . 1 1 87 87 ASP C C 87 178.542 178.542 178.554 -0.012 19221 9571 1 10 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.554 0.286 19221 9572 1 10 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.536 1.354 19221 9573 1 10 . 1 1 87 87 ASP H H 87 8.560 8.560 8.643 -0.083 19221 9574 1 10 . 1 1 88 88 SER N N 88 112.940 112.940 115.719 -2.779 19221 9575 1 10 . 1 1 88 88 SER HA H 88 4.153 4.153 4.203 -0.050 19221 9576 1 10 . 1 1 88 88 SER C C 88 176.823 176.823 175.816 1.007 19221 9577 1 10 . 1 1 88 88 SER CA C 88 61.590 61.590 61.952 -0.362 19221 9578 1 10 . 1 1 88 88 SER CB C 88 63.085 63.085 63.270 -0.185 19221 9579 1 10 . 1 1 88 88 SER H H 88 7.757 7.757 8.053 -0.296 19221 9580 1 10 . 1 1 89 89 LEU N N 89 121.710 121.710 120.186 1.524 19221 9581 1 10 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.161 0.007 19221 9582 1 10 . 1 1 89 89 LEU C C 89 180.006 180.006 178.005 2.001 19221 9583 1 10 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.344 0.486 19221 9584 1 10 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.174 1.206 19221 9585 1 10 . 1 1 89 89 LEU H H 89 8.173 8.173 7.375 0.798 19221 9586 1 10 . 1 1 90 90 ILE N N 90 119.830 119.830 120.530 -0.700 19221 9587 1 10 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.390 0.155 19221 9588 1 10 . 1 1 90 90 ILE C C 90 177.083 177.083 178.491 -1.408 19221 9589 1 10 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.543 -1.633 19221 9590 1 10 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.434 -0.354 19221 9591 1 10 . 1 1 90 90 ILE H H 90 8.424 8.424 8.471 -0.047 19221 9592 1 10 . 1 1 91 91 LYS N N 91 117.980 117.980 118.017 -0.037 19221 9593 1 10 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.920 -0.019 19221 9594 1 10 . 1 1 91 91 LYS C C 91 178.803 178.803 177.886 0.917 19221 9595 1 10 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.098 0.412 19221 9596 1 10 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.364 0.396 19221 9597 1 10 . 1 1 91 91 LYS H H 91 7.569 7.569 8.058 -0.489 19221 9598 1 10 . 1 1 92 92 VAL N N 92 115.450 115.450 117.695 -2.245 19221 9599 1 10 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.003 -0.075 19221 9600 1 10 . 1 1 92 92 VAL C C 92 177.767 177.767 177.696 0.071 19221 9601 1 10 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.927 -0.377 19221 9602 1 10 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.610 0.180 19221 9603 1 10 . 1 1 92 92 VAL H H 92 7.432 7.432 7.663 -0.231 19221 9604 1 10 . 1 1 93 93 GLN N N 93 117.250 117.250 119.479 -2.229 19221 9605 1 10 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.927 0.070 19221 9606 1 10 . 1 1 93 93 GLN C C 93 178.756 178.756 178.943 -0.187 19221 9607 1 10 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.033 -0.473 19221 9608 1 10 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.241 0.428 19221 9609 1 10 . 1 1 93 93 GLN H H 93 8.127 8.127 8.548 -0.421 19221 9610 1 10 . 1 1 94 94 ILE N N 94 118.013 118.013 119.718 -1.705 19221 9611 1 10 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.710 -0.070 19221 9612 1 10 . 1 1 94 94 ILE C C 94 176.252 176.252 178.727 -2.475 19221 9613 1 10 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.443 1.537 19221 9614 1 10 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.811 0.319 19221 9615 1 10 . 1 1 94 94 ILE H H 94 8.390 8.390 7.386 1.004 19221 9616 1 10 . 1 1 95 95 SER N N 95 112.220 112.220 116.830 -4.610 19221 9617 1 10 . 1 1 95 95 SER HA H 95 4.158 4.158 4.112 0.046 19221 9618 1 10 . 1 1 95 95 SER C C 95 174.893 174.893 175.868 -0.975 19221 9619 1 10 . 1 1 95 95 SER CA C 95 59.890 59.890 60.897 -1.007 19221 9620 1 10 . 1 1 95 95 SER CB C 95 63.170 63.170 62.996 0.174 19221 9621 1 10 . 1 1 95 95 SER H H 95 7.227 7.227 8.135 -0.908 19221 9622 1 10 . 1 1 96 96 LYS N N 96 119.000 119.000 118.734 0.266 19221 9623 1 10 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.148 0.177 19221 9624 1 10 . 1 1 96 96 LYS C C 96 175.903 175.903 175.953 -0.050 19221 9625 1 10 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.203 -0.603 19221 9626 1 10 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.099 0.841 19221 9627 1 10 . 1 1 96 96 LYS H H 96 7.250 7.250 7.932 -0.682 19221 9628 1 10 . 1 1 97 97 ILE N N 97 120.530 120.530 120.300 0.230 19221 9629 1 10 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.539 0.060 19221 9630 1 10 . 1 1 97 97 ILE C C 97 173.784 173.784 174.195 -0.411 19221 9631 1 10 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.925 -0.513 19221 9632 1 10 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.269 -2.709 19221 9633 1 10 . 1 1 97 97 ILE H H 97 7.713 7.713 7.349 0.364 19221 9634 1 10 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.231 0.062 19221 9635 1 10 . 1 1 98 98 PRO C C 98 178.885 178.885 178.344 0.541 19221 9636 1 10 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.963 0.357 19221 9637 1 10 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.071 0.199 19221 9638 1 10 . 1 1 99 99 ILE N N 99 115.600 115.600 117.792 -2.192 19221 9639 1 10 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.813 0.479 19221 9640 1 10 . 1 1 99 99 ILE C C 99 177.025 177.025 177.534 -0.509 19221 9641 1 10 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.535 -0.755 19221 9642 1 10 . 1 1 99 99 ILE CB C 99 38.080 38.080 38.006 0.074 19221 9643 1 10 . 1 1 99 99 ILE H H 99 8.552 8.552 7.946 0.606 19221 9644 1 10 . 1 1 100 100 LEU N N 100 119.430 119.430 120.537 -1.107 19221 9645 1 10 . 1 1 100 100 LEU HA H 100 4.223 4.223 3.865 0.358 19221 9646 1 10 . 1 1 100 100 LEU C C 100 178.223 178.223 178.976 -0.753 19221 9647 1 10 . 1 1 100 100 LEU CA C 100 57.110 57.110 58.048 -0.938 19221 9648 1 10 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.193 1.027 19221 9649 1 10 . 1 1 100 100 LEU H H 100 7.404 7.404 7.660 -0.256 19221 9650 1 10 . 1 1 101 101 ALA N N 101 121.390 121.390 121.067 0.323 19221 9651 1 10 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.830 0.087 19221 9652 1 10 . 1 1 101 101 ALA C C 101 181.827 181.827 179.826 2.001 19221 9653 1 10 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.836 0.575 19221 9654 1 10 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.065 -0.115 19221 9655 1 10 . 1 1 101 101 ALA H H 101 7.839 7.839 7.990 -0.151 19221 9656 1 10 . 1 1 102 102 GLN N N 102 115.470 115.470 115.726 -0.256 19221 9657 1 10 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.074 0.003 19221 9658 1 10 . 1 1 102 102 GLN C C 102 176.572 176.572 176.970 -0.398 19221 9659 1 10 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.484 0.096 19221 9660 1 10 . 1 1 102 102 GLN CB C 102 28.630 28.630 28.804 -0.174 19221 9661 1 10 . 1 1 102 102 GLN H H 102 8.276 8.276 7.856 0.420 19221 9662 1 10 . 1 1 103 103 HIS N N 103 115.980 115.980 111.264 4.716 19221 9663 1 10 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.456 0.668 19221 9664 1 10 . 1 1 103 103 HIS C C 103 175.326 175.326 174.833 0.493 19221 9665 1 10 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.131 2.219 19221 9666 1 10 . 1 1 103 103 HIS CB C 103 30.990 30.990 30.367 0.623 19221 9667 1 10 . 1 1 103 103 HIS H H 103 7.450 7.450 7.633 -0.183 19221 9668 1 10 . 1 1 104 104 GLU N N 104 122.920 122.920 122.480 0.440 19221 9669 1 10 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.769 0.044 19221 9670 1 10 . 1 1 104 104 GLU C C 104 177.960 177.960 177.641 0.319 19221 9671 1 10 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.304 1.206 19221 9672 1 10 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.204 0.296 19221 9673 1 10 . 1 1 104 104 GLU H H 104 7.332 7.332 7.464 -0.132 19221 9674 1 10 . 1 1 105 105 SER N N 105 113.180 113.180 115.073 -1.893 19221 9675 1 10 . 1 1 105 105 SER HA H 105 4.234 4.234 4.282 -0.048 19221 9676 1 10 . 1 1 105 105 SER C C 105 177.512 177.512 177.127 0.385 19221 9677 1 10 . 1 1 105 105 SER CA C 105 62.100 62.100 61.149 0.951 19221 9678 1 10 . 1 1 105 105 SER CB C 105 62.100 62.100 62.853 -0.753 19221 9679 1 10 . 1 1 105 105 SER H H 105 8.931 8.931 8.556 0.375 19221 9680 1 10 . 1 1 106 106 PHE N N 106 123.770 123.770 121.867 1.903 19221 9681 1 10 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.491 -0.064 19221 9682 1 10 . 1 1 106 106 PHE C C 106 178.007 178.007 177.961 0.046 19221 9683 1 10 . 1 1 106 106 PHE CA C 106 61.390 61.390 58.444 2.946 19221 9684 1 10 . 1 1 106 106 PHE CB C 106 39.130 39.130 38.042 1.088 19221 9685 1 10 . 1 1 106 106 PHE H H 106 8.040 8.040 7.897 0.143 19221 9686 1 10 . 1 1 107 107 LEU N N 107 121.397 121.397 119.882 1.515 19221 9687 1 10 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.978 0.028 19221 9688 1 10 . 1 1 107 107 LEU C C 107 178.165 178.165 178.979 -0.814 19221 9689 1 10 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.543 -0.263 19221 9690 1 10 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.309 0.860 19221 9691 1 10 . 1 1 107 107 LEU H H 107 8.481 8.481 7.875 0.606 19221 9692 1 10 . 1 1 108 108 ARG N N 108 117.450 117.450 118.242 -0.792 19221 9693 1 10 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.135 0.004 19221 9694 1 10 . 1 1 108 108 ARG C C 108 178.343 178.343 178.084 0.259 19221 9695 1 10 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.429 0.151 19221 9696 1 10 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.412 -0.242 19221 9697 1 10 . 1 1 108 108 ARG H H 108 8.480 8.480 8.365 0.115 19221 9698 1 10 . 1 1 109 109 GLN N N 109 119.098 119.098 119.626 -0.528 19221 9699 1 10 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.160 -0.085 19221 9700 1 10 . 1 1 109 109 GLN CA C 109 59.295 59.295 58.755 0.540 19221 9701 1 10 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.725 0.783 19221 9702 1 10 . 1 1 109 109 GLN H H 109 7.886 7.886 7.719 0.167 19221 9703 1 10 . 1 1 110 110 LYS N N 110 121.110 121.110 121.781 -0.671 19221 9704 1 10 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.055 -0.067 19221 9705 1 10 . 1 1 110 110 LYS C C 110 178.368 178.368 178.562 -0.194 19221 9706 1 10 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.769 2.781 19221 9707 1 10 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.897 -1.637 19221 9708 1 10 . 1 1 110 110 LYS H H 110 8.356 8.356 8.418 -0.062 19221 9709 1 10 . 1 1 111 111 ILE N N 111 116.870 116.870 120.478 -3.608 19221 9710 1 10 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.760 0.138 19221 9711 1 10 . 1 1 111 111 ILE C C 111 178.036 178.036 177.223 0.813 19221 9712 1 10 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.226 0.875 19221 9713 1 10 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.565 -0.650 19221 9714 1 10 . 1 1 111 111 ILE H H 111 7.848 7.848 8.255 -0.407 19221 9715 1 10 . 1 1 112 112 CYS N N 112 123.990 123.990 118.663 5.327 19221 9716 1 10 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.071 0.010 19221 9717 1 10 . 1 1 112 112 CYS C C 112 176.276 176.276 176.792 -0.516 19221 9718 1 10 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.852 1.548 19221 9719 1 10 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.599 -0.229 19221 9720 1 10 . 1 1 112 112 CYS H H 112 7.473 7.473 7.656 -0.183 19221 9721 1 10 . 1 1 113 113 LEU N N 113 120.218 120.218 121.395 -1.177 19221 9722 1 10 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.735 0.108 19221 9723 1 10 . 1 1 113 113 LEU C C 113 178.584 178.584 179.019 -0.435 19221 9724 1 10 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.572 -0.052 19221 9725 1 10 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.707 0.843 19221 9726 1 10 . 1 1 113 113 LEU H H 113 8.443 8.443 8.520 -0.077 19221 9727 1 10 . 1 1 114 114 MET N N 114 116.910 116.910 116.562 0.348 19221 9728 1 10 . 1 1 114 114 MET HA H 114 3.952 3.952 4.103 -0.151 19221 9729 1 10 . 1 1 114 114 MET C C 114 178.724 178.724 178.846 -0.122 19221 9730 1 10 . 1 1 114 114 MET CA C 114 60.070 60.070 59.495 0.575 19221 9731 1 10 . 1 1 114 114 MET CB C 114 32.910 32.910 32.480 0.430 19221 9732 1 10 . 1 1 114 114 MET H H 114 8.840 8.840 8.662 0.178 19221 9733 1 10 . 1 1 115 115 THR N N 115 115.670 115.670 117.068 -1.398 19221 9734 1 10 . 1 1 115 115 THR HA H 115 4.083 4.083 4.057 0.026 19221 9735 1 10 . 1 1 115 115 THR C C 115 177.434 177.434 176.485 0.949 19221 9736 1 10 . 1 1 115 115 THR CA C 115 66.740 66.740 66.848 -0.108 19221 9737 1 10 . 1 1 115 115 THR CB C 115 68.630 68.630 68.681 -0.051 19221 9738 1 10 . 1 1 115 115 THR H H 115 8.095 8.095 7.949 0.146 19221 9739 1 10 . 1 1 116 116 LEU N N 116 125.420 125.420 124.137 1.283 19221 9740 1 10 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.007 -0.152 19221 9741 1 10 . 1 1 116 116 LEU C C 116 176.903 176.903 178.190 -1.287 19221 9742 1 10 . 1 1 116 116 LEU CA C 116 58.936 58.936 57.876 1.060 19221 9743 1 10 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.210 0.466 19221 9744 1 10 . 1 1 116 116 LEU H H 116 8.164 8.164 8.175 -0.011 19221 9745 1 10 . 1 1 117 117 ILE N N 117 114.740 114.740 119.517 -4.777 19221 9746 1 10 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.454 0.165 19221 9747 1 10 . 1 1 117 117 ILE C C 117 177.806 177.806 177.773 0.033 19221 9748 1 10 . 1 1 117 117 ILE CA C 117 64.590 64.590 66.005 -1.415 19221 9749 1 10 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.517 -1.157 19221 9750 1 10 . 1 1 117 117 ILE H H 117 8.032 8.032 8.343 -0.311 19221 9751 1 10 . 1 1 118 118 GLU N N 118 121.200 121.200 120.072 1.128 19221 9752 1 10 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.057 0.143 19221 9753 1 10 . 1 1 118 118 GLU C C 118 178.314 178.314 178.983 -0.669 19221 9754 1 10 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.357 -0.377 19221 9755 1 10 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.660 -0.280 19221 9756 1 10 . 1 1 118 118 GLU H H 118 8.176 8.176 8.335 -0.159 19221 9757 1 10 . 1 1 119 119 THR N N 119 114.460 114.460 117.138 -2.678 19221 9758 1 10 . 1 1 119 119 THR HA H 119 3.917 3.917 4.044 -0.127 19221 9759 1 10 . 1 1 119 119 THR C C 119 175.551 175.551 177.035 -1.484 19221 9760 1 10 . 1 1 119 119 THR CA C 119 67.470 67.470 67.253 0.217 19221 9761 1 10 . 1 1 119 119 THR CB C 119 69.110 69.110 68.560 0.550 19221 9762 1 10 . 1 1 119 119 THR H H 119 8.008 8.008 8.315 -0.307 19221 9763 1 10 . 1 1 120 120 VAL N N 120 118.050 118.050 121.944 -3.894 19221 9764 1 10 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.685 -0.065 19221 9765 1 10 . 1 1 120 120 VAL C C 120 178.213 178.213 177.767 0.446 19221 9766 1 10 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.513 -0.493 19221 9767 1 10 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.670 0.160 19221 9768 1 10 . 1 1 120 120 VAL H H 120 7.800 7.800 8.330 -0.530 19221 9769 1 10 . 1 1 121 121 PHE N N 121 118.360 118.360 121.321 -2.961 19221 9770 1 10 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.260 -0.040 19221 9771 1 10 . 1 1 121 121 PHE C C 121 178.739 178.739 176.904 1.835 19221 9772 1 10 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.226 0.314 19221 9773 1 10 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.423 0.707 19221 9774 1 10 . 1 1 121 121 PHE H H 121 8.370 8.370 8.364 0.006 19221 9775 1 10 . 1 1 122 122 VAL N N 122 118.710 118.710 118.833 -0.123 19221 9776 1 10 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.576 0.049 19221 9777 1 10 . 1 1 122 122 VAL C C 122 178.247 178.247 177.424 0.823 19221 9778 1 10 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.247 0.603 19221 9779 1 10 . 1 1 122 122 VAL CB C 122 31.881 31.881 32.015 -0.134 19221 9780 1 10 . 1 1 122 122 VAL H H 122 8.959 8.959 8.290 0.669 19221 9781 1 10 . 1 1 123 123 LYS N N 123 115.960 115.960 117.166 -1.206 19221 9782 1 10 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.299 0.017 19221 9783 1 10 . 1 1 123 123 LYS C C 123 176.148 176.148 175.597 0.551 19221 9784 1 10 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.787 0.743 19221 9785 1 10 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.460 -0.430 19221 9786 1 10 . 1 1 123 123 LYS H H 123 7.688 7.688 7.815 -0.127 19221 9787 1 10 . 1 1 124 124 ASN N N 124 117.440 117.440 115.983 1.457 19221 9788 1 10 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.443 -0.099 19221 9789 1 10 . 1 1 124 124 ASN C C 124 174.205 174.205 174.404 -0.199 19221 9790 1 10 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.742 0.178 19221 9791 1 10 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.279 -0.209 19221 9792 1 10 . 1 1 124 124 ASN H H 124 7.560 7.560 7.518 0.042 19221 9793 1 10 . 1 1 125 125 ILE N N 125 116.780 116.780 116.283 0.497 19221 9794 1 10 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.016 0.094 19221 9795 1 10 . 1 1 125 125 ILE C C 125 175.909 175.909 176.041 -0.132 19221 9796 1 10 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.059 -0.489 19221 9797 1 10 . 1 1 125 125 ILE CB C 125 39.970 39.970 37.887 2.083 19221 9798 1 10 . 1 1 125 125 ILE H H 125 7.658 7.658 7.297 0.361 19221 9799 1 10 . 1 1 126 126 ARG N N 126 122.400 122.400 123.947 -1.547 19221 9800 1 10 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.481 0.150 19221 9801 1 10 . 1 1 126 126 ARG C C 126 175.296 175.296 175.149 0.147 19221 9802 1 10 . 1 1 126 126 ARG CA C 126 55.210 55.210 56.117 -0.907 19221 9803 1 10 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.730 -0.513 19221 9804 1 10 . 1 1 126 126 ARG H H 126 8.658 8.658 8.666 -0.008 19221 9805 1 10 . 1 1 127 127 MET N N 127 119.870 119.870 119.173 0.697 19221 9806 1 10 . 1 1 127 127 MET HA H 127 5.412 5.412 5.310 0.102 19221 9807 1 10 . 1 1 127 127 MET C C 127 174.169 174.169 174.147 0.022 19221 9808 1 10 . 1 1 127 127 MET CA C 127 55.130 55.130 54.248 0.882 19221 9809 1 10 . 1 1 127 127 MET CB C 127 35.300 35.300 35.297 0.003 19221 9810 1 10 . 1 1 127 127 MET H H 127 7.487 7.487 7.641 -0.154 19221 9811 1 10 . 1 1 128 128 LEU N N 128 124.940 124.940 125.265 -0.325 19221 9812 1 10 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.966 -0.076 19221 9813 1 10 . 1 1 128 128 LEU C C 128 174.857 174.857 174.793 0.064 19221 9814 1 10 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.647 0.523 19221 9815 1 10 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.312 -1.222 19221 9816 1 10 . 1 1 128 128 LEU H H 128 8.961 8.961 8.992 -0.031 19221 9817 1 10 . 1 1 129 129 SER N N 129 119.080 119.080 114.384 4.696 19221 9818 1 10 . 1 1 129 129 SER HA H 129 5.503 5.503 5.122 0.381 19221 9819 1 10 . 1 1 129 129 SER C C 129 176.225 176.225 175.552 0.673 19221 9820 1 10 . 1 1 129 129 SER CA C 129 56.630 56.630 57.012 -0.382 19221 9821 1 10 . 1 1 129 129 SER CB C 129 66.030 66.030 65.245 0.785 19221 9822 1 10 . 1 1 129 129 SER H H 129 9.512 9.512 8.252 1.260 19221 9823 1 10 . 1 1 130 130 PHE N N 130 120.530 120.530 123.041 -2.511 19221 9824 1 10 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.119 0.321 19221 9825 1 10 . 1 1 130 130 PHE C C 130 179.046 179.046 177.581 1.465 19221 9826 1 10 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.872 -1.142 19221 9827 1 10 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.100 -1.580 19221 9828 1 10 . 1 1 130 130 PHE H H 130 8.712 8.712 9.281 -0.569 19221 9829 1 10 . 1 1 131 131 GLU N N 131 121.180 121.180 120.571 0.609 19221 9830 1 10 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.776 0.249 19221 9831 1 10 . 1 1 131 131 GLU C C 131 178.039 178.039 178.180 -0.141 19221 9832 1 10 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.629 -0.759 19221 9833 1 10 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.406 0.064 19221 9834 1 10 . 1 1 131 131 GLU H H 131 8.961 8.961 8.669 0.292 19221 9835 1 10 . 1 1 132 132 ASP N N 132 120.930 120.930 119.168 1.762 19221 9836 1 10 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.410 -0.013 19221 9837 1 10 . 1 1 132 132 ASP C C 132 180.369 180.369 178.698 1.671 19221 9838 1 10 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.090 0.599 19221 9839 1 10 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.586 0.154 19221 9840 1 10 . 1 1 132 132 ASP H H 132 8.369 8.369 7.756 0.613 19221 9841 1 10 . 1 1 133 133 ILE N N 133 120.360 120.360 119.333 1.027 19221 9842 1 10 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.575 -0.066 19221 9843 1 10 . 1 1 133 133 ILE C C 133 178.895 178.895 178.060 0.835 19221 9844 1 10 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.623 0.657 19221 9845 1 10 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.747 -0.217 19221 9846 1 10 . 1 1 133 133 ILE H H 133 8.062 8.062 8.135 -0.073 19221 9847 1 10 . 1 1 134 134 SER N N 134 120.050 120.050 117.092 2.958 19221 9848 1 10 . 1 1 134 134 SER HA H 134 4.074 4.074 4.184 -0.110 19221 9849 1 10 . 1 1 134 134 SER C C 134 176.934 176.934 176.241 0.693 19221 9850 1 10 . 1 1 134 134 SER CA C 134 61.240 61.240 61.433 -0.193 19221 9851 1 10 . 1 1 134 134 SER CB C 134 63.400 63.400 63.024 0.376 19221 9852 1 10 . 1 1 134 134 SER H H 134 8.823 8.823 8.418 0.405 19221 9853 1 10 . 1 1 135 135 LYS N N 135 119.060 119.060 120.857 -1.797 19221 9854 1 10 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.904 0.026 19221 9855 1 10 . 1 1 135 135 LYS C C 135 178.986 178.986 178.209 0.777 19221 9856 1 10 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.087 1.183 19221 9857 1 10 . 1 1 135 135 LYS CB C 135 32.470 32.470 31.790 0.681 19221 9858 1 10 . 1 1 135 135 LYS H H 135 8.258 8.258 7.922 0.336 19221 9859 1 10 . 1 1 136 136 ALA N N 136 118.350 118.350 119.299 -0.949 19221 9860 1 10 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.076 0.126 19221 9861 1 10 . 1 1 136 136 ALA C C 136 178.653 178.653 177.375 1.278 19221 9862 1 10 . 1 1 136 136 ALA CA C 136 54.480 54.480 53.742 0.738 19221 9863 1 10 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.121 -0.280 19221 9864 1 10 . 1 1 136 136 ALA H H 136 7.538 7.538 7.914 -0.376 19221 9865 1 10 . 1 1 137 137 THR N N 137 101.770 101.770 108.045 -6.275 19221 9866 1 10 . 1 1 137 137 THR HA H 137 4.274 4.274 4.308 -0.034 19221 9867 1 10 . 1 1 137 137 THR C C 137 172.932 172.932 174.725 -1.793 19221 9868 1 10 . 1 1 137 137 THR CA C 137 61.990 61.990 62.317 -0.327 19221 9869 1 10 . 1 1 137 137 THR CB C 137 71.200 71.200 70.859 0.341 19221 9870 1 10 . 1 1 137 137 THR H H 137 7.777 7.777 7.200 0.577 19221 9871 1 10 . 1 1 138 138 HIS N N 138 113.660 113.660 116.234 -2.574 19221 9872 1 10 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.147 -0.188 19221 9873 1 10 . 1 1 138 138 HIS C C 138 173.700 173.700 174.106 -0.406 19221 9874 1 10 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.696 -1.366 19221 9875 1 10 . 1 1 138 138 HIS CB C 138 25.410 25.410 26.388 -0.978 19221 9876 1 10 . 1 1 138 138 HIS H H 138 7.567 7.567 8.126 -0.559 19221 9877 1 10 . 1 1 139 139 LEU N N 139 120.070 120.070 121.055 -0.985 19221 9878 1 10 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.747 0.096 19221 9879 1 10 . 1 1 139 139 LEU C C 139 174.376 174.376 175.932 -1.556 19221 9880 1 10 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.287 -0.417 19221 9881 1 10 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.055 2.695 19221 9882 1 10 . 1 1 139 139 LEU H H 139 7.513 7.513 7.405 0.108 19221 9883 1 10 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.612 -0.221 19221 9884 1 10 . 1 1 140 140 PRO C C 140 177.985 177.985 178.067 -0.082 19221 9885 1 10 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.368 0.022 19221 9886 1 10 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.639 -0.569 19221 9887 1 10 . 1 1 141 141 LYS N N 141 123.930 123.930 120.276 3.654 19221 9888 1 10 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.877 -0.058 19221 9889 1 10 . 1 1 141 141 LYS C C 141 178.083 178.083 178.279 -0.196 19221 9890 1 10 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.008 0.822 19221 9891 1 10 . 1 1 141 141 LYS CB C 141 31.890 31.890 31.959 -0.069 19221 9892 1 10 . 1 1 141 141 LYS H H 141 8.950 8.950 8.764 0.186 19221 9893 1 10 . 1 1 142 142 ASP N N 142 114.510 114.510 115.353 -0.843 19221 9894 1 10 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.521 -0.026 19221 9895 1 10 . 1 1 142 142 ASP C C 142 176.656 176.656 176.679 -0.023 19221 9896 1 10 . 1 1 142 142 ASP CA C 142 55.590 55.590 55.703 -0.113 19221 9897 1 10 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.810 -1.070 19221 9898 1 10 . 1 1 142 142 ASP H H 142 8.491 8.491 8.325 0.166 19221 9899 1 10 . 1 1 143 143 ASN N N 143 116.400 116.400 115.568 0.832 19221 9900 1 10 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.632 0.434 19221 9901 1 10 . 1 1 143 143 ASN C C 143 175.954 175.954 176.400 -0.446 19221 9902 1 10 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.421 -0.201 19221 9903 1 10 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.609 0.341 19221 9904 1 10 . 1 1 143 143 ASN H H 143 8.191 8.191 7.775 0.416 19221 9905 1 10 . 1 1 144 144 VAL N N 144 120.490 120.490 121.735 -1.245 19221 9906 1 10 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.501 -0.178 19221 9907 1 10 . 1 1 144 144 VAL C C 144 176.423 176.423 175.861 0.562 19221 9908 1 10 . 1 1 144 144 VAL CA C 144 66.990 66.990 65.324 1.666 19221 9909 1 10 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.787 -0.347 19221 9910 1 10 . 1 1 144 144 VAL H H 144 7.472 7.472 8.200 -0.728 19221 9911 1 10 . 1 1 145 145 GLU N N 145 122.340 122.340 118.734 3.606 19221 9912 1 10 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.478 -0.217 19221 9913 1 10 . 1 1 145 145 GLU C C 145 177.853 177.853 178.176 -0.323 19221 9914 1 10 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.101 1.729 19221 9915 1 10 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.184 0.625 19221 9916 1 10 . 1 1 145 145 GLU H H 145 9.141 9.141 8.157 0.984 19221 9917 1 10 . 1 1 146 146 HIS N N 146 116.970 116.970 118.343 -1.373 19221 9918 1 10 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.414 -0.240 19221 9919 1 10 . 1 1 146 146 HIS C C 146 177.947 177.947 177.690 0.257 19221 9920 1 10 . 1 1 146 146 HIS CA C 146 59.540 59.540 57.204 2.336 19221 9921 1 10 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.371 1.079 19221 9922 1 10 . 1 1 146 146 HIS H H 146 8.162 8.162 7.342 0.820 19221 9923 1 10 . 1 1 147 147 LEU N N 147 120.670 120.670 120.673 -0.003 19221 9924 1 10 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.187 -0.227 19221 9925 1 10 . 1 1 147 147 LEU C C 147 178.427 178.427 178.546 -0.119 19221 9926 1 10 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.949 0.321 19221 9927 1 10 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.561 0.175 19221 9928 1 10 . 1 1 147 147 LEU H H 147 7.336 7.336 7.531 -0.195 19221 9929 1 10 . 1 1 148 148 VAL N N 148 118.060 118.060 116.081 1.979 19221 9930 1 10 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.717 -0.494 19221 9931 1 10 . 1 1 148 148 VAL C C 148 177.801 177.801 178.229 -0.428 19221 9932 1 10 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.393 1.568 19221 9933 1 10 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.668 0.342 19221 9934 1 10 . 1 1 148 148 VAL H H 148 8.172 8.172 7.472 0.700 19221 9935 1 10 . 1 1 149 149 MET N N 149 117.770 117.770 120.360 -2.590 19221 9936 1 10 . 1 1 149 149 MET HA H 149 4.123 4.123 4.027 0.096 19221 9937 1 10 . 1 1 149 149 MET C C 149 179.823 179.823 178.591 1.232 19221 9938 1 10 . 1 1 149 149 MET CA C 149 58.630 58.630 59.511 -0.881 19221 9939 1 10 . 1 1 149 149 MET CB C 149 31.496 31.496 32.174 -0.678 19221 9940 1 10 . 1 1 149 149 MET H H 149 8.585 8.585 8.534 0.051 19221 9941 1 10 . 1 1 150 150 ARG N N 150 121.900 121.900 118.936 2.964 19221 9942 1 10 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.111 -0.017 19221 9943 1 10 . 1 1 150 150 ARG C C 150 177.928 177.928 178.595 -0.667 19221 9944 1 10 . 1 1 150 150 ARG CA C 150 58.150 58.150 58.314 -0.164 19221 9945 1 10 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.520 -0.770 19221 9946 1 10 . 1 1 150 150 ARG H H 150 8.160 8.160 8.270 -0.110 19221 9947 1 10 . 1 1 151 151 ALA N N 151 121.710 121.710 121.888 -0.178 19221 9948 1 10 . 1 1 151 151 ALA HA H 151 3.798 3.798 4.042 -0.244 19221 9949 1 10 . 1 1 151 151 ALA C C 151 179.518 179.518 179.521 -0.003 19221 9950 1 10 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.098 0.642 19221 9951 1 10 . 1 1 151 151 ALA CB C 151 17.890 17.890 17.948 -0.058 19221 9952 1 10 . 1 1 151 151 ALA H H 151 8.165 8.165 7.930 0.235 19221 9953 1 10 . 1 1 152 152 ILE N N 152 118.590 118.590 118.418 0.172 19221 9954 1 10 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.831 0.551 19221 9955 1 10 . 1 1 152 152 ILE C C 152 181.439 181.439 178.995 2.444 19221 9956 1 10 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.396 0.164 19221 9957 1 10 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.835 0.865 19221 9958 1 10 . 1 1 152 152 ILE H H 152 8.331 8.331 7.577 0.754 19221 9959 1 10 . 1 1 153 153 SER N N 153 120.250 120.250 117.064 3.186 19221 9960 1 10 . 1 1 153 153 SER HA H 153 4.279 4.279 4.212 0.067 19221 9961 1 10 . 1 1 153 153 SER C C 153 176.745 176.745 176.226 0.519 19221 9962 1 10 . 1 1 153 153 SER CA C 153 62.040 62.040 61.462 0.578 19221 9963 1 10 . 1 1 153 153 SER CB C 153 62.930 62.930 62.949 -0.019 19221 9964 1 10 . 1 1 153 153 SER H H 153 8.756 8.756 7.729 1.026 19221 9965 1 10 . 1 1 154 154 LEU N N 154 119.480 119.480 118.673 0.807 19221 9966 1 10 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.370 -0.025 19221 9967 1 10 . 1 1 154 154 LEU C C 154 177.351 177.351 177.129 0.222 19221 9968 1 10 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.209 0.246 19221 9969 1 10 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.512 2.488 19221 9970 1 10 . 1 1 154 154 LEU H H 154 8.129 8.129 8.213 -0.084 19221 9971 1 10 . 1 1 155 155 GLY N N 155 106.990 106.990 106.732 0.258 19221 9972 1 10 . 1 1 155 155 GLY C C 155 174.867 174.867 175.226 -0.359 19221 9973 1 10 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.216 -0.416 19221 9974 1 10 . 1 1 155 155 GLY H H 155 8.023 8.023 7.933 0.090 19221 9975 1 10 . 1 1 156 156 LEU N N 156 116.510 116.510 118.275 -1.765 19221 9976 1 10 . 1 1 156 156 LEU HA H 156 4.260 4.260 3.985 0.275 19221 9977 1 10 . 1 1 156 156 LEU C C 156 175.387 175.387 176.111 -0.724 19221 9978 1 10 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.071 -0.141 19221 9979 1 10 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.080 1.140 19221 9980 1 10 . 1 1 156 156 LEU H H 156 8.101 8.101 7.674 0.427 19221 9981 1 10 . 1 1 157 157 LEU N N 157 112.790 112.790 111.158 1.632 19221 9982 1 10 . 1 1 157 157 LEU HA H 157 5.000 5.000 4.827 0.173 19221 9983 1 10 . 1 1 157 157 LEU C C 157 175.382 175.382 174.775 0.607 19221 9984 1 10 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.774 -0.134 19221 9985 1 10 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.013 1.548 19221 9986 1 10 . 1 1 157 157 LEU H H 157 7.194 7.194 7.296 -0.102 19221 9987 1 10 . 1 1 158 158 LYS N N 158 121.010 121.010 120.756 0.254 19221 9988 1 10 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.883 -0.088 19221 9989 1 10 . 1 1 158 158 LYS C C 158 175.461 175.461 175.413 0.048 19221 9990 1 10 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.634 0.426 19221 9991 1 10 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.600 1.590 19221 9992 1 10 . 1 1 158 158 LYS H H 158 9.056 9.056 8.882 0.174 19221 9993 1 10 . 1 1 159 159 GLY N N 159 109.800 109.800 111.249 -1.449 19221 9994 1 10 . 1 1 159 159 GLY C C 159 170.992 170.992 172.891 -1.899 19221 9995 1 10 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.216 0.924 19221 9996 1 10 . 1 1 159 159 GLY H H 159 8.287 8.287 8.071 0.216 19221 9997 1 10 . 1 1 160 160 SER N N 160 112.940 112.940 114.403 -1.463 19221 9998 1 10 . 1 1 160 160 SER HA H 160 4.780 4.780 4.760 0.020 19221 9999 1 10 . 1 1 160 160 SER C C 160 172.525 172.525 173.461 -0.936 19221 10000 1 10 . 1 1 160 160 SER CA C 160 56.840 56.840 57.323 -0.483 19221 10001 1 10 . 1 1 160 160 SER CB C 160 65.660 65.660 66.098 -0.438 19221 10002 1 10 . 1 1 160 160 SER H H 160 8.847 8.847 8.763 0.084 19221 10003 1 10 . 1 1 161 161 ILE N N 161 123.020 123.020 124.852 -1.832 19221 10004 1 10 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.087 0.319 19221 10005 1 10 . 1 1 161 161 ILE C C 161 174.457 174.457 176.118 -1.661 19221 10006 1 10 . 1 1 161 161 ILE CA C 161 61.419 61.419 60.982 0.437 19221 10007 1 10 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.358 1.870 19221 10008 1 10 . 1 1 161 161 ILE H H 161 8.867 8.867 8.766 0.101 19221 10009 1 10 . 1 1 162 162 ASP N N 162 128.130 128.130 130.958 -2.828 19221 10010 1 10 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.718 0.198 19221 10011 1 10 . 1 1 162 162 ASP C C 162 176.575 176.575 176.815 -0.240 19221 10012 1 10 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.252 -0.512 19221 10013 1 10 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.124 1.016 19221 10014 1 10 . 1 1 162 162 ASP H H 162 8.955 8.955 8.615 0.340 19221 10015 1 10 . 1 1 163 163 GLN N N 163 123.480 123.480 123.099 0.381 19221 10016 1 10 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.118 -0.265 19221 10017 1 10 . 1 1 163 163 GLN C C 163 177.627 177.627 177.889 -0.262 19221 10018 1 10 . 1 1 163 163 GLN CA C 163 59.210 59.210 59.079 0.131 19221 10019 1 10 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.508 0.412 19221 10020 1 10 . 1 1 163 163 GLN H H 163 8.982 8.982 8.043 0.939 19221 10021 1 10 . 1 1 164 164 VAL N N 164 119.220 119.220 118.839 0.381 19221 10022 1 10 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.864 -0.181 19221 10023 1 10 . 1 1 164 164 VAL C C 164 177.519 177.519 176.612 0.907 19221 10024 1 10 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.347 1.423 19221 10025 1 10 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.503 0.427 19221 10026 1 10 . 1 1 164 164 VAL H H 164 7.974 7.974 8.380 -0.406 19221 10027 1 10 . 1 1 165 165 ASN N N 165 114.430 114.430 117.173 -2.743 19221 10028 1 10 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.680 -0.079 19221 10029 1 10 . 1 1 165 165 ASN C C 165 172.795 172.795 174.219 -1.424 19221 10030 1 10 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.061 -0.161 19221 10031 1 10 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.451 -0.621 19221 10032 1 10 . 1 1 165 165 ASN H H 165 7.502 7.502 7.622 -0.119 19221 10033 1 10 . 1 1 166 166 GLU N N 166 116.970 116.970 114.149 2.821 19221 10034 1 10 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.414 -0.400 19221 10035 1 10 . 1 1 166 166 GLU C C 166 174.562 174.562 173.439 1.123 19221 10036 1 10 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.760 -0.531 19221 10037 1 10 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.802 0.014 19221 10038 1 10 . 1 1 166 166 GLU H H 166 7.268 7.268 7.700 -0.432 19221 10039 1 10 . 1 1 167 167 LEU N N 167 117.360 117.360 116.463 0.897 19221 10040 1 10 . 1 1 167 167 LEU HA H 167 4.998 4.998 4.969 0.029 19221 10041 1 10 . 1 1 167 167 LEU C C 167 175.659 175.659 175.346 0.313 19221 10042 1 10 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.586 0.084 19221 10043 1 10 . 1 1 167 167 LEU CB C 167 47.310 47.310 47.022 0.288 19221 10044 1 10 . 1 1 167 167 LEU H H 167 7.699 7.699 7.538 0.161 19221 10045 1 10 . 1 1 168 168 VAL N N 168 125.350 125.350 118.006 7.344 19221 10046 1 10 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.759 0.080 19221 10047 1 10 . 1 1 168 168 VAL C C 168 174.792 174.792 174.682 0.110 19221 10048 1 10 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.987 0.143 19221 10049 1 10 . 1 1 168 168 VAL CB C 168 34.349 34.349 35.944 -1.595 19221 10050 1 10 . 1 1 168 168 VAL H H 168 9.445 9.445 9.168 0.277 19221 10051 1 10 . 1 1 169 169 THR N N 169 123.020 123.020 122.306 0.714 19221 10052 1 10 . 1 1 169 169 THR HA H 169 4.869 4.869 5.090 -0.221 19221 10053 1 10 . 1 1 169 169 THR C C 169 173.876 173.876 173.897 -0.021 19221 10054 1 10 . 1 1 169 169 THR CA C 169 61.580 61.580 61.933 -0.353 19221 10055 1 10 . 1 1 169 169 THR CB C 169 69.750 69.750 69.909 -0.159 19221 10056 1 10 . 1 1 169 169 THR H H 169 8.824 8.824 9.110 -0.286 19221 10057 1 10 . 1 1 170 170 ILE N N 170 126.700 126.700 127.728 -1.028 19221 10058 1 10 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.277 0.265 19221 10059 1 10 . 1 1 170 170 ILE C C 170 175.672 175.672 175.676 -0.004 19221 10060 1 10 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.754 -0.424 19221 10061 1 10 . 1 1 170 170 ILE CB C 170 39.610 39.610 39.603 0.007 19221 10062 1 10 . 1 1 170 170 ILE H H 170 8.911 8.911 8.974 -0.063 19221 10063 1 10 . 1 1 171 171 SER N N 171 122.780 122.780 119.125 3.655 19221 10064 1 10 . 1 1 171 171 SER HA H 171 4.670 4.670 4.783 -0.113 19221 10065 1 10 . 1 1 171 171 SER C C 171 174.700 174.700 173.327 1.373 19221 10066 1 10 . 1 1 171 171 SER CA C 171 58.280 58.280 58.882 -0.602 19221 10067 1 10 . 1 1 171 171 SER CB C 171 64.560 64.560 65.317 -0.757 19221 10068 1 10 . 1 1 171 171 SER H H 171 9.242 9.242 9.188 0.054 19221 10069 1 10 . 1 1 172 172 TRP N N 172 123.970 123.970 120.164 3.806 19221 10070 1 10 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.876 -0.241 19221 10071 1 10 . 1 1 172 172 TRP C C 172 172.618 172.618 173.313 -0.695 19221 10072 1 10 . 1 1 172 172 TRP CA C 172 58.910 58.910 57.986 0.924 19221 10073 1 10 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.214 -0.564 19221 10074 1 10 . 1 1 172 172 TRP H H 172 7.929 7.929 7.695 0.234 19221 10075 1 10 . 1 1 173 173 VAL N N 173 123.660 123.660 122.960 0.700 19221 10076 1 10 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.008 0.122 19221 10077 1 10 . 1 1 173 173 VAL C C 173 170.746 170.746 173.426 -2.680 19221 10078 1 10 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.632 -0.532 19221 10079 1 10 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.982 0.238 19221 10080 1 10 . 1 1 173 173 VAL H H 173 6.764 6.764 7.465 -0.701 19221 10081 1 10 . 1 1 174 174 GLN N N 174 126.430 126.430 126.376 0.054 19221 10082 1 10 . 1 1 174 174 GLN HA H 174 3.606 3.606 4.015 -0.409 19221 10083 1 10 . 1 1 174 174 GLN C C 174 172.955 172.955 173.975 -1.020 19221 10084 1 10 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.609 -0.559 19221 10085 1 10 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.194 1.567 19221 10086 1 10 . 1 1 174 174 GLN H H 174 7.071 7.071 7.957 -0.886 19221 10087 1 10 . 1 1 175 175 PRO HA H 175 3.861 3.861 3.094 0.767 19221 10088 1 10 . 1 1 175 175 PRO C C 175 175.955 175.955 175.985 -0.030 19221 10089 1 10 . 1 1 175 175 PRO CA C 175 62.750 62.750 62.627 0.123 19221 10090 1 10 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.740 0.660 19221 10091 1 11 . 1 1 2 2 LYS HA H 2 4.140 4.140 3.946 0.194 19221 10092 1 11 . 1 1 2 2 LYS CA C 2 56.090 56.090 55.463 0.627 19221 10093 1 11 . 1 1 2 2 LYS CB C 2 32.930 32.930 30.879 2.051 19221 10094 1 11 . 1 1 4 4 ASP C C 4 176.140 176.140 177.078 -0.938 19221 10095 1 11 . 1 1 4 4 ASP CA C 4 55.530 55.530 54.723 0.807 19221 10096 1 11 . 1 1 4 4 ASP CB C 4 41.980 41.980 41.511 0.469 19221 10097 1 11 . 1 1 5 5 PHE N N 5 122.270 122.270 124.514 -2.244 19221 10098 1 11 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.441 -0.262 19221 10099 1 11 . 1 1 5 5 PHE C C 5 177.706 177.706 177.000 0.706 19221 10100 1 11 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.181 0.699 19221 10101 1 11 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.806 0.094 19221 10102 1 11 . 1 1 5 5 PHE H H 5 7.853 7.853 8.818 -0.965 19221 10103 1 11 . 1 1 6 6 ASN N N 6 114.920 114.920 118.696 -3.776 19221 10104 1 11 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.481 -0.080 19221 10105 1 11 . 1 1 6 6 ASN C C 6 176.990 176.990 177.444 -0.454 19221 10106 1 11 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.755 -0.285 19221 10107 1 11 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.359 0.864 19221 10108 1 11 . 1 1 6 6 ASN H H 6 8.051 8.051 8.684 -0.633 19221 10109 1 11 . 1 1 7 7 SER N N 7 112.970 112.970 117.183 -4.213 19221 10110 1 11 . 1 1 7 7 SER HA H 7 4.435 4.435 4.325 0.110 19221 10111 1 11 . 1 1 7 7 SER C C 7 177.780 177.780 176.799 0.981 19221 10112 1 11 . 1 1 7 7 SER CA C 7 61.440 61.440 62.179 -0.740 19221 10113 1 11 . 1 1 7 7 SER CB C 7 62.770 62.770 63.113 -0.343 19221 10114 1 11 . 1 1 7 7 SER H H 7 8.041 8.041 8.728 -0.687 19221 10115 1 11 . 1 1 8 8 PHE N N 8 123.560 123.560 123.712 -0.152 19221 10116 1 11 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.184 -0.117 19221 10117 1 11 . 1 1 8 8 PHE C C 8 177.959 177.959 176.957 1.002 19221 10118 1 11 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.768 0.342 19221 10119 1 11 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.140 -0.174 19221 10120 1 11 . 1 1 8 8 PHE H H 8 8.364 8.364 8.331 0.033 19221 10121 1 11 . 1 1 9 9 TYR N N 9 122.550 122.550 121.004 1.546 19221 10122 1 11 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.019 -0.019 19221 10123 1 11 . 1 1 9 9 TYR C C 9 176.360 176.360 177.405 -1.045 19221 10124 1 11 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.207 -0.197 19221 10125 1 11 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.202 -0.002 19221 10126 1 11 . 1 1 9 9 TYR H H 9 8.230 8.230 8.879 -0.649 19221 10127 1 11 . 1 1 10 10 TYR N N 10 115.490 115.490 116.858 -1.368 19221 10128 1 11 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.083 0.023 19221 10129 1 11 . 1 1 10 10 TYR C C 10 180.280 180.280 178.196 2.084 19221 10130 1 11 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.787 0.733 19221 10131 1 11 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.189 -0.259 19221 10132 1 11 . 1 1 10 10 TYR H H 10 7.958 7.958 8.065 -0.107 19221 10133 1 11 . 1 1 11 11 THR N N 11 115.140 115.140 117.755 -2.615 19221 10134 1 11 . 1 1 11 11 THR HA H 11 3.934 3.934 3.807 0.127 19221 10135 1 11 . 1 1 11 11 THR CA C 11 66.560 66.560 67.194 -0.634 19221 10136 1 11 . 1 1 11 11 THR CB C 11 68.750 68.750 68.289 0.461 19221 10137 1 11 . 1 1 11 11 THR H H 11 8.806 8.806 8.553 0.253 19221 10138 1 11 . 1 1 12 12 SER N N 12 120.384 120.384 117.806 2.578 19221 10139 1 11 . 1 1 12 12 SER HA H 12 3.346 3.346 4.122 -0.776 19221 10140 1 11 . 1 1 12 12 SER C C 12 175.891 175.891 176.353 -0.462 19221 10141 1 11 . 1 1 12 12 SER CA C 12 62.740 62.740 61.762 0.978 19221 10142 1 11 . 1 1 12 12 SER CB C 12 62.580 62.580 63.150 -0.570 19221 10143 1 11 . 1 1 12 12 SER H H 12 8.151 8.151 8.218 -0.067 19221 10144 1 11 . 1 1 13 13 LEU N N 13 121.640 121.640 121.070 0.570 19221 10145 1 11 . 1 1 13 13 LEU HA H 13 3.801 3.801 4.087 -0.286 19221 10146 1 11 . 1 1 13 13 LEU C C 13 180.374 180.374 178.829 1.545 19221 10147 1 11 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.370 0.980 19221 10148 1 11 . 1 1 13 13 LEU CB C 13 41.410 41.410 42.094 -0.685 19221 10149 1 11 . 1 1 13 13 LEU H H 13 7.893 7.893 7.677 0.216 19221 10150 1 11 . 1 1 14 14 LEU N N 14 120.470 120.470 120.890 -0.420 19221 10151 1 11 . 1 1 14 14 LEU HA H 14 4.161 4.161 4.017 0.144 19221 10152 1 11 . 1 1 14 14 LEU C C 14 179.880 179.880 178.439 1.441 19221 10153 1 11 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.561 0.439 19221 10154 1 11 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.970 -0.420 19221 10155 1 11 . 1 1 14 14 LEU H H 14 7.528 7.528 8.445 -0.917 19221 10156 1 11 . 1 1 15 15 TYR N N 15 122.257 122.257 119.363 2.894 19221 10157 1 11 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.207 0.058 19221 10158 1 11 . 1 1 15 15 TYR C C 15 177.033 177.033 177.695 -0.662 19221 10159 1 11 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.803 -0.073 19221 10160 1 11 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.343 -0.243 19221 10161 1 11 . 1 1 15 15 TYR H H 15 8.135 8.135 8.408 -0.273 19221 10162 1 11 . 1 1 16 16 LEU N N 16 118.440 118.440 118.693 -0.253 19221 10163 1 11 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.785 0.020 19221 10164 1 11 . 1 1 16 16 LEU C C 16 179.055 179.055 178.969 0.086 19221 10165 1 11 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.565 -0.352 19221 10166 1 11 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.559 0.506 19221 10167 1 11 . 1 1 16 16 LEU H H 16 8.452 8.452 8.101 0.351 19221 10168 1 11 . 1 1 17 17 SER N N 17 114.450 114.450 114.386 0.064 19221 10169 1 11 . 1 1 17 17 SER HA H 17 4.430 4.430 4.224 0.206 19221 10170 1 11 . 1 1 17 17 SER C C 17 175.197 175.197 176.051 -0.854 19221 10171 1 11 . 1 1 17 17 SER CA C 17 61.040 61.040 61.097 -0.057 19221 10172 1 11 . 1 1 17 17 SER CB C 17 63.460 63.460 63.185 0.275 19221 10173 1 11 . 1 1 17 17 SER H H 17 7.848 7.848 7.725 0.123 19221 10174 1 11 . 1 1 18 18 THR N N 18 110.850 110.850 111.762 -0.912 19221 10175 1 11 . 1 1 18 18 THR HA H 18 4.452 4.452 4.278 0.174 19221 10176 1 11 . 1 1 18 18 THR C C 18 174.439 174.439 174.695 -0.256 19221 10177 1 11 . 1 1 18 18 THR CA C 18 61.421 61.421 63.200 -1.780 19221 10178 1 11 . 1 1 18 18 THR CB C 18 69.940 69.940 69.087 0.853 19221 10179 1 11 . 1 1 18 18 THR H H 18 7.505 7.505 7.826 -0.321 19221 10180 1 11 . 1 1 19 19 LEU N N 19 123.180 123.180 121.967 1.213 19221 10181 1 11 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.524 -0.364 19221 10182 1 11 . 1 1 19 19 LEU C C 19 176.926 176.926 175.772 1.154 19221 10183 1 11 . 1 1 19 19 LEU CA C 19 55.290 55.290 53.543 1.747 19221 10184 1 11 . 1 1 19 19 LEU CB C 19 42.448 42.448 44.703 -2.255 19221 10185 1 11 . 1 1 19 19 LEU H H 19 7.095 7.095 7.452 -0.357 19221 10186 1 11 . 1 1 20 20 GLU N N 20 125.330 125.330 123.738 1.592 19221 10187 1 11 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.299 0.309 19221 10188 1 11 . 1 1 20 20 GLU C C 20 175.915 175.915 175.823 0.092 19221 10189 1 11 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.626 -0.853 19221 10190 1 11 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.270 0.320 19221 10191 1 11 . 1 1 20 20 GLU H H 20 8.535 8.535 8.533 0.002 19221 10192 1 11 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.223 0.110 19221 10193 1 11 . 1 1 21 21 PRO C C 21 177.196 177.196 177.542 -0.346 19221 10194 1 11 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.435 0.345 19221 10195 1 11 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.954 -0.104 19221 10196 1 11 . 1 1 22 22 SER N N 22 111.220 111.220 116.618 -5.398 19221 10197 1 11 . 1 1 22 22 SER HA H 22 4.398 4.398 4.405 -0.007 19221 10198 1 11 . 1 1 22 22 SER C C 22 175.056 175.056 174.004 1.052 19221 10199 1 11 . 1 1 22 22 SER CA C 22 58.530 58.530 57.646 0.884 19221 10200 1 11 . 1 1 22 22 SER CB C 22 63.500 63.500 62.145 1.355 19221 10201 1 11 . 1 1 22 22 SER H H 22 7.967 7.967 8.063 -0.096 19221 10202 1 11 . 1 1 23 23 THR N N 23 117.440 117.440 114.129 3.311 19221 10203 1 11 . 1 1 23 23 THR HA H 23 4.279 4.279 4.327 -0.048 19221 10204 1 11 . 1 1 23 23 THR C C 23 174.573 174.573 176.050 -1.477 19221 10205 1 11 . 1 1 23 23 THR CA C 23 62.920 62.920 61.911 1.009 19221 10206 1 11 . 1 1 23 23 THR CB C 23 69.260 69.260 69.633 -0.373 19221 10207 1 11 . 1 1 23 23 THR H H 23 7.936 7.936 7.655 0.281 19221 10208 1 11 . 1 1 24 24 SER N N 24 119.820 119.820 120.724 -0.904 19221 10209 1 11 . 1 1 24 24 SER HA H 24 4.485 4.485 4.345 0.140 19221 10210 1 11 . 1 1 24 24 SER C C 24 174.082 174.082 174.624 -0.542 19221 10211 1 11 . 1 1 24 24 SER CA C 24 58.600 58.600 60.297 -1.696 19221 10212 1 11 . 1 1 24 24 SER CB C 24 63.430 63.430 63.103 0.327 19221 10213 1 11 . 1 1 24 24 SER H H 24 8.438 8.438 8.572 -0.134 19221 10214 1 11 . 1 1 25 25 ILE N N 25 123.140 123.140 121.173 1.967 19221 10215 1 11 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.188 0.291 19221 10216 1 11 . 1 1 25 25 ILE C C 25 176.472 176.472 175.864 0.608 19221 10217 1 11 . 1 1 25 25 ILE CA C 25 61.010 61.010 60.641 0.369 19221 10218 1 11 . 1 1 25 25 ILE CB C 25 39.460 39.460 37.724 1.736 19221 10219 1 11 . 1 1 25 25 ILE H H 25 7.870 7.870 7.702 0.168 19221 10220 1 11 . 1 1 26 26 THR N N 26 118.120 118.120 116.549 1.571 19221 10221 1 11 . 1 1 26 26 THR HA H 26 4.394 4.394 4.567 -0.173 19221 10222 1 11 . 1 1 26 26 THR C C 26 175.540 175.540 175.652 -0.112 19221 10223 1 11 . 1 1 26 26 THR CA C 26 61.890 61.890 60.600 1.290 19221 10224 1 11 . 1 1 26 26 THR CB C 26 71.320 71.320 70.643 0.677 19221 10225 1 11 . 1 1 26 26 THR H H 26 8.649 8.649 8.106 0.543 19221 10226 1 11 . 1 1 27 27 LEU N N 27 123.130 123.130 120.921 2.209 19221 10227 1 11 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.143 -0.054 19221 10228 1 11 . 1 1 27 27 LEU C C 27 178.653 178.653 177.900 0.753 19221 10229 1 11 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.682 1.078 19221 10230 1 11 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.486 -0.306 19221 10231 1 11 . 1 1 27 27 LEU H H 27 8.766 8.766 8.545 0.221 19221 10232 1 11 . 1 1 28 28 ALA N N 28 119.510 119.510 120.784 -1.274 19221 10233 1 11 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.048 0.215 19221 10234 1 11 . 1 1 28 28 ALA C C 28 178.218 178.218 179.851 -1.633 19221 10235 1 11 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.971 0.349 19221 10236 1 11 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.091 0.029 19221 10237 1 11 . 1 1 28 28 ALA H H 28 8.546 8.546 8.282 0.264 19221 10238 1 11 . 1 1 29 29 GLU N N 29 118.210 118.210 117.861 0.349 19221 10239 1 11 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.135 -0.054 19221 10240 1 11 . 1 1 29 29 GLU C C 29 179.929 179.929 179.388 0.541 19221 10241 1 11 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.197 0.103 19221 10242 1 11 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.508 0.568 19221 10243 1 11 . 1 1 29 29 GLU H H 29 7.719 7.719 8.084 -0.365 19221 10244 1 11 . 1 1 30 30 ARG N N 30 121.350 121.350 120.355 0.995 19221 10245 1 11 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.059 -0.100 19221 10246 1 11 . 1 1 30 30 ARG C C 30 177.538 177.538 178.945 -1.407 19221 10247 1 11 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.588 1.057 19221 10248 1 11 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.063 0.937 19221 10249 1 11 . 1 1 30 30 ARG H H 30 8.410 8.410 8.048 0.362 19221 10250 1 11 . 1 1 31 31 GLN N N 31 117.670 117.670 119.196 -1.526 19221 10251 1 11 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.072 -0.120 19221 10252 1 11 . 1 1 31 31 GLN C C 31 178.220 178.220 178.938 -0.718 19221 10253 1 11 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.294 -0.339 19221 10254 1 11 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.562 0.068 19221 10255 1 11 . 1 1 31 31 GLN H H 31 8.742 8.742 8.293 0.449 19221 10256 1 11 . 1 1 32 32 GLN N N 32 117.910 117.910 118.800 -0.890 19221 10257 1 11 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.231 -0.244 19221 10258 1 11 . 1 1 32 32 GLN C C 32 177.712 177.712 178.791 -1.079 19221 10259 1 11 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.416 -0.086 19221 10260 1 11 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.457 -0.137 19221 10261 1 11 . 1 1 32 32 GLN H H 32 7.732 7.732 7.715 0.017 19221 10262 1 11 . 1 1 33 33 LEU N N 33 119.680 119.680 121.506 -1.826 19221 10263 1 11 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.131 0.273 19221 10264 1 11 . 1 1 33 33 LEU C C 33 178.876 178.876 178.040 0.836 19221 10265 1 11 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.444 0.606 19221 10266 1 11 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.515 0.285 19221 10267 1 11 . 1 1 33 33 LEU H H 33 7.846 7.846 8.419 -0.573 19221 10268 1 11 . 1 1 34 34 ALA N N 34 121.660 121.660 122.645 -0.985 19221 10269 1 11 . 1 1 34 34 ALA HA H 34 3.741 3.741 4.024 -0.283 19221 10270 1 11 . 1 1 34 34 ALA C C 34 180.025 180.025 179.332 0.693 19221 10271 1 11 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.369 0.301 19221 10272 1 11 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.108 0.832 19221 10273 1 11 . 1 1 34 34 ALA H H 34 8.308 8.308 8.689 -0.381 19221 10274 1 11 . 1 1 35 35 TYR N N 35 120.860 120.860 119.535 1.325 19221 10275 1 11 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.831 -0.073 19221 10276 1 11 . 1 1 35 35 TYR C C 35 176.384 176.384 177.485 -1.101 19221 10277 1 11 . 1 1 35 35 TYR CA C 35 62.020 62.020 62.227 -0.207 19221 10278 1 11 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.142 0.318 19221 10279 1 11 . 1 1 35 35 TYR H H 35 8.457 8.457 8.240 0.217 19221 10280 1 11 . 1 1 36 36 ASP N N 36 120.570 120.570 119.985 0.585 19221 10281 1 11 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.235 -0.000 19221 10282 1 11 . 1 1 36 36 ASP C C 36 180.544 180.544 178.722 1.822 19221 10283 1 11 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.723 0.217 19221 10284 1 11 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.860 -0.390 19221 10285 1 11 . 1 1 36 36 ASP H H 36 9.072 9.072 8.608 0.464 19221 10286 1 11 . 1 1 37 37 LEU N N 37 123.000 123.000 120.357 2.643 19221 10287 1 11 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.037 0.109 19221 10288 1 11 . 1 1 37 37 LEU C C 37 178.743 178.743 179.078 -0.335 19221 10289 1 11 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.595 0.019 19221 10290 1 11 . 1 1 37 37 LEU CB C 37 42.810 42.810 42.035 0.775 19221 10291 1 11 . 1 1 37 37 LEU H H 37 9.068 9.068 8.524 0.544 19221 10292 1 11 . 1 1 38 38 SER N N 38 116.650 116.650 115.591 1.059 19221 10293 1 11 . 1 1 38 38 SER HA H 38 3.680 3.680 4.194 -0.514 19221 10294 1 11 . 1 1 38 38 SER C C 38 174.113 174.113 176.723 -2.610 19221 10295 1 11 . 1 1 38 38 SER CA C 38 59.430 59.430 62.241 -2.811 19221 10296 1 11 . 1 1 38 38 SER CB C 38 63.559 63.559 62.775 0.784 19221 10297 1 11 . 1 1 38 38 SER H H 38 7.824 7.824 7.994 -0.170 19221 10298 1 11 . 1 1 39 39 ILE N N 39 121.198 121.198 121.811 -0.613 19221 10299 1 11 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.619 -0.214 19221 10300 1 11 . 1 1 39 39 ILE C C 39 176.113 176.113 177.897 -1.784 19221 10301 1 11 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.329 -0.969 19221 10302 1 11 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.641 -1.293 19221 10303 1 11 . 1 1 39 39 ILE H H 39 8.313 8.313 8.227 0.086 19221 10304 1 11 . 1 1 40 40 SER N N 40 115.537 115.537 116.161 -0.624 19221 10305 1 11 . 1 1 40 40 SER HA H 40 4.534 4.534 4.093 0.441 19221 10306 1 11 . 1 1 40 40 SER C C 40 174.881 174.881 176.051 -1.170 19221 10307 1 11 . 1 1 40 40 SER CA C 40 62.520 62.520 62.152 0.368 19221 10308 1 11 . 1 1 40 40 SER CB C 40 62.670 62.670 62.870 -0.200 19221 10309 1 11 . 1 1 40 40 SER H H 40 7.961 7.961 8.462 -0.501 19221 10310 1 11 . 1 1 41 41 ALA N N 41 123.360 123.360 122.903 0.457 19221 10311 1 11 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.818 -0.226 19221 10312 1 11 . 1 1 41 41 ALA C C 41 178.822 178.822 180.176 -1.354 19221 10313 1 11 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.179 -0.057 19221 10314 1 11 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.159 0.231 19221 10315 1 11 . 1 1 41 41 ALA H H 41 7.878 7.878 8.017 -0.139 19221 10316 1 11 . 1 1 42 42 LEU N N 42 115.790 115.790 120.843 -5.053 19221 10317 1 11 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.331 -0.755 19221 10318 1 11 . 1 1 42 42 LEU C C 42 179.683 179.683 178.595 1.088 19221 10319 1 11 . 1 1 42 42 LEU CA C 42 58.731 58.731 58.033 0.698 19221 10320 1 11 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.200 0.010 19221 10321 1 11 . 1 1 42 42 LEU H H 42 7.737 7.737 8.169 -0.432 19221 10322 1 11 . 1 1 43 43 LEU N N 43 113.670 113.670 114.823 -1.153 19221 10323 1 11 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.166 -0.159 19221 10324 1 11 . 1 1 43 43 LEU C C 43 177.279 177.279 176.948 0.331 19221 10325 1 11 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.286 0.644 19221 10326 1 11 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.715 0.105 19221 10327 1 11 . 1 1 43 43 LEU H H 43 7.798 7.798 7.839 -0.041 19221 10328 1 11 . 1 1 44 44 GLY N N 44 108.270 108.270 108.370 -0.100 19221 10329 1 11 . 1 1 44 44 GLY C C 44 177.020 177.020 174.607 2.413 19221 10330 1 11 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.693 2.197 19221 10331 1 11 . 1 1 44 44 GLY H H 44 7.984 7.984 7.867 0.117 19221 10332 1 11 . 1 1 45 45 ASP N N 45 128.400 128.400 125.217 3.183 19221 10333 1 11 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.649 -0.090 19221 10334 1 11 . 1 1 45 45 ASP C C 45 177.183 177.183 176.177 1.006 19221 10335 1 11 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.543 -1.093 19221 10336 1 11 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.376 -1.586 19221 10337 1 11 . 1 1 45 45 ASP H H 45 9.073 9.073 8.063 1.010 19221 10338 1 11 . 1 1 46 46 LYS N N 46 117.230 117.230 114.799 2.431 19221 10339 1 11 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.600 0.345 19221 10340 1 11 . 1 1 46 46 LYS C C 46 176.544 176.544 175.489 1.055 19221 10341 1 11 . 1 1 46 46 LYS CA C 46 55.610 55.610 54.583 1.027 19221 10342 1 11 . 1 1 46 46 LYS CB C 46 33.960 33.960 31.578 2.382 19221 10343 1 11 . 1 1 46 46 LYS H H 46 8.987 8.987 8.479 0.508 19221 10344 1 11 . 1 1 47 47 ILE N N 47 121.540 121.540 118.553 2.987 19221 10345 1 11 . 1 1 47 47 ILE HA H 47 4.097 4.097 4.377 -0.280 19221 10346 1 11 . 1 1 47 47 ILE C C 47 174.082 174.082 174.473 -0.391 19221 10347 1 11 . 1 1 47 47 ILE CA C 47 61.080 61.080 60.441 0.639 19221 10348 1 11 . 1 1 47 47 ILE CB C 47 37.008 37.008 41.274 -4.266 19221 10349 1 11 . 1 1 47 47 ILE H H 47 6.840 6.840 7.749 -0.909 19221 10350 1 11 . 1 1 48 48 TYR N N 48 123.820 123.820 122.910 0.910 19221 10351 1 11 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.693 -0.384 19221 10352 1 11 . 1 1 48 48 TYR C C 48 173.249 173.249 174.455 -1.206 19221 10353 1 11 . 1 1 48 48 TYR CA C 48 57.350 57.350 57.140 0.210 19221 10354 1 11 . 1 1 48 48 TYR CB C 48 39.230 39.230 40.581 -1.351 19221 10355 1 11 . 1 1 48 48 TYR H H 48 8.511 8.511 8.774 -0.263 19221 10356 1 11 . 1 1 49 49 ASN N N 49 116.100 116.100 122.122 -6.022 19221 10357 1 11 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.511 -0.060 19221 10358 1 11 . 1 1 49 49 ASN C C 49 175.429 175.429 174.843 0.586 19221 10359 1 11 . 1 1 49 49 ASN CA C 49 53.077 53.077 51.150 1.927 19221 10360 1 11 . 1 1 49 49 ASN CB C 49 39.916 39.916 36.280 3.636 19221 10361 1 11 . 1 1 49 49 ASN H H 49 6.906 6.906 7.734 -0.828 19221 10362 1 11 . 1 1 50 50 PHE N N 50 124.360 124.360 121.023 3.337 19221 10363 1 11 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.174 0.837 19221 10364 1 11 . 1 1 50 50 PHE C C 50 176.190 176.190 177.384 -1.194 19221 10365 1 11 . 1 1 50 50 PHE CA C 50 55.863 55.863 61.041 -5.178 19221 10366 1 11 . 1 1 50 50 PHE CB C 50 38.482 38.482 38.583 -0.101 19221 10367 1 11 . 1 1 50 50 PHE H H 50 8.980 8.980 8.377 0.603 19221 10368 1 11 . 1 1 51 51 GLY N N 51 109.740 109.740 108.333 1.407 19221 10369 1 11 . 1 1 51 51 GLY C C 51 175.758 175.758 175.836 -0.078 19221 10370 1 11 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.361 0.939 19221 10371 1 11 . 1 1 51 51 GLY H H 51 8.658 8.658 8.452 0.206 19221 10372 1 11 . 1 1 52 52 GLU N N 52 120.700 120.700 122.796 -2.096 19221 10373 1 11 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.145 -0.063 19221 10374 1 11 . 1 1 52 52 GLU C C 52 178.240 178.240 179.141 -0.901 19221 10375 1 11 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.141 0.070 19221 10376 1 11 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.702 0.037 19221 10377 1 11 . 1 1 52 52 GLU H H 52 8.321 8.321 8.171 0.150 19221 10378 1 11 . 1 1 53 53 LEU N N 53 119.400 119.400 122.248 -2.848 19221 10379 1 11 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.140 0.018 19221 10380 1 11 . 1 1 53 53 LEU C C 53 178.344 178.344 179.124 -0.780 19221 10381 1 11 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.905 -0.115 19221 10382 1 11 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.002 0.838 19221 10383 1 11 . 1 1 53 53 LEU H H 53 7.694 7.694 7.576 0.118 19221 10384 1 11 . 1 1 54 54 LEU N N 54 114.230 114.230 118.528 -4.298 19221 10385 1 11 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.189 -0.266 19221 10386 1 11 . 1 1 54 54 LEU C C 54 178.643 178.643 177.149 1.494 19221 10387 1 11 . 1 1 54 54 LEU CA C 54 57.730 57.730 57.076 0.654 19221 10388 1 11 . 1 1 54 54 LEU CB C 54 41.850 41.850 42.053 -0.203 19221 10389 1 11 . 1 1 54 54 LEU H H 54 8.369 8.369 8.748 -0.379 19221 10390 1 11 . 1 1 55 55 HIS N N 55 113.420 113.420 113.204 0.216 19221 10391 1 11 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.814 -0.107 19221 10392 1 11 . 1 1 55 55 HIS C C 55 173.981 173.981 174.588 -0.607 19221 10393 1 11 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.400 0.120 19221 10394 1 11 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.245 -1.965 19221 10395 1 11 . 1 1 55 55 HIS H H 55 7.569 7.569 7.584 -0.015 19221 10396 1 11 . 1 1 56 56 HIS N N 56 126.050 126.050 123.416 2.634 19221 10397 1 11 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.666 -0.185 19221 10398 1 11 . 1 1 56 56 HIS C C 56 176.705 176.705 174.805 1.900 19221 10399 1 11 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.475 2.875 19221 10400 1 11 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.323 0.397 19221 10401 1 11 . 1 1 56 56 HIS H H 56 8.068 8.068 7.915 0.153 19221 10402 1 11 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.171 0.206 19221 10403 1 11 . 1 1 57 57 PRO C C 57 179.790 179.790 178.340 1.450 19221 10404 1 11 . 1 1 57 57 PRO CA C 57 65.440 65.440 65.239 0.202 19221 10405 1 11 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.563 0.867 19221 10406 1 11 . 1 1 58 58 ILE N N 58 124.900 124.900 119.302 5.598 19221 10407 1 11 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.680 0.590 19221 10408 1 11 . 1 1 58 58 ILE C C 58 177.782 177.782 177.018 0.764 19221 10409 1 11 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.903 -1.373 19221 10410 1 11 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.487 0.783 19221 10411 1 11 . 1 1 58 58 ILE H H 58 11.871 11.871 7.376 4.495 19221 10412 1 11 . 1 1 59 59 MET N N 59 120.230 120.230 116.408 3.822 19221 10413 1 11 . 1 1 59 59 MET HA H 59 4.431 4.431 4.253 0.178 19221 10414 1 11 . 1 1 59 59 MET C C 59 178.757 178.757 178.266 0.491 19221 10415 1 11 . 1 1 59 59 MET CA C 59 55.720 55.720 56.079 -0.359 19221 10416 1 11 . 1 1 59 59 MET CB C 59 30.980 30.980 30.654 0.326 19221 10417 1 11 . 1 1 59 59 MET H H 59 8.152 8.152 8.241 -0.089 19221 10418 1 11 . 1 1 60 60 GLU N N 60 119.080 119.080 119.001 0.079 19221 10419 1 11 . 1 1 60 60 GLU HA H 60 4.008 4.008 4.050 -0.042 19221 10420 1 11 . 1 1 60 60 GLU C C 60 178.242 178.242 178.764 -0.522 19221 10421 1 11 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.141 -0.621 19221 10422 1 11 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.910 0.637 19221 10423 1 11 . 1 1 60 60 GLU H H 60 7.889 7.889 7.974 -0.085 19221 10424 1 11 . 1 1 61 61 THR N N 61 106.740 106.740 109.745 -3.005 19221 10425 1 11 . 1 1 61 61 THR HA H 61 4.120 4.120 4.120 -0.000 19221 10426 1 11 . 1 1 61 61 THR C C 61 176.056 176.056 175.982 0.074 19221 10427 1 11 . 1 1 61 61 THR CA C 61 64.520 64.520 64.652 -0.132 19221 10428 1 11 . 1 1 61 61 THR CB C 61 69.420 69.420 69.015 0.405 19221 10429 1 11 . 1 1 61 61 THR H H 61 7.558 7.558 7.716 -0.158 19221 10430 1 11 . 1 1 62 62 ILE N N 62 113.140 113.140 114.499 -1.359 19221 10431 1 11 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.503 0.084 19221 10432 1 11 . 1 1 62 62 ILE C C 62 176.843 176.843 176.949 -0.106 19221 10433 1 11 . 1 1 62 62 ILE CA C 62 61.790 61.790 62.047 -0.258 19221 10434 1 11 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.992 0.378 19221 10435 1 11 . 1 1 62 62 ILE H H 62 7.235 7.235 7.622 -0.387 19221 10436 1 11 . 1 1 63 63 VAL N N 63 122.110 122.110 117.095 5.015 19221 10437 1 11 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.742 -0.396 19221 10438 1 11 . 1 1 63 63 VAL C C 63 175.165 175.165 176.380 -1.215 19221 10439 1 11 . 1 1 63 63 VAL CA C 63 64.440 64.440 64.686 -0.246 19221 10440 1 11 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.326 -0.127 19221 10441 1 11 . 1 1 63 63 VAL H H 63 7.436 7.436 8.231 -0.795 19221 10442 1 11 . 1 1 64 64 ASN N N 64 116.810 116.810 118.225 -1.415 19221 10443 1 11 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.798 -0.017 19221 10444 1 11 . 1 1 64 64 ASN C C 64 174.101 174.101 174.303 -0.202 19221 10445 1 11 . 1 1 64 64 ASN CA C 64 52.900 52.900 53.514 -0.614 19221 10446 1 11 . 1 1 64 64 ASN CB C 64 38.779 38.779 39.023 -0.244 19221 10447 1 11 . 1 1 64 64 ASN H H 64 8.352 8.352 7.754 0.598 19221 10448 1 11 . 1 1 65 65 ASP N N 65 120.930 120.930 119.880 1.050 19221 10449 1 11 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.727 0.153 19221 10450 1 11 . 1 1 65 65 ASP C C 65 177.534 177.534 176.527 1.007 19221 10451 1 11 . 1 1 65 65 ASP CA C 65 53.170 53.170 54.144 -0.974 19221 10452 1 11 . 1 1 65 65 ASP CB C 65 43.100 43.100 42.834 0.266 19221 10453 1 11 . 1 1 65 65 ASP H H 65 7.453 7.453 7.563 -0.110 19221 10454 1 11 . 1 1 66 66 SER HA H 66 4.356 4.356 3.919 0.437 19221 10455 1 11 . 1 1 66 66 SER C C 66 176.310 176.310 175.285 1.025 19221 10456 1 11 . 1 1 66 66 SER CA C 66 61.350 61.350 59.971 1.379 19221 10457 1 11 . 1 1 66 66 SER CB C 66 63.120 63.120 61.818 1.302 19221 10458 1 11 . 1 1 66 66 SER H H 66 7.010 7.010 8.760 -1.750 19221 10459 1 11 . 1 1 67 67 ASN N N 67 120.050 120.050 120.242 -0.192 19221 10460 1 11 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.420 0.185 19221 10461 1 11 . 1 1 67 67 ASN C C 67 176.107 176.107 175.468 0.639 19221 10462 1 11 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.737 -0.167 19221 10463 1 11 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.417 0.183 19221 10464 1 11 . 1 1 67 67 ASN H H 67 9.014 9.014 8.859 0.155 19221 10465 1 11 . 1 1 68 68 TYR N N 68 114.840 114.840 115.192 -0.352 19221 10466 1 11 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.348 0.171 19221 10467 1 11 . 1 1 68 68 TYR C C 68 175.709 175.709 175.262 0.447 19221 10468 1 11 . 1 1 68 68 TYR CA C 68 57.610 57.610 55.133 2.478 19221 10469 1 11 . 1 1 68 68 TYR CB C 68 39.750 39.750 37.494 2.256 19221 10470 1 11 . 1 1 68 68 TYR H H 68 8.276 8.276 7.820 0.456 19221 10471 1 11 . 1 1 69 69 ASP N N 69 122.810 122.810 122.909 -0.099 19221 10472 1 11 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.401 0.051 19221 10473 1 11 . 1 1 69 69 ASP C C 69 178.371 178.371 177.612 0.759 19221 10474 1 11 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.621 0.009 19221 10475 1 11 . 1 1 69 69 ASP CB C 69 40.630 40.630 41.020 -0.390 19221 10476 1 11 . 1 1 69 69 ASP H H 69 7.806 7.806 8.085 -0.279 19221 10477 1 11 . 1 1 70 70 TRP N N 70 117.270 117.270 119.471 -2.201 19221 10478 1 11 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.458 -0.294 19221 10479 1 11 . 1 1 70 70 TRP C C 70 176.090 176.090 177.787 -1.697 19221 10480 1 11 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.133 -0.603 19221 10481 1 11 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.724 -1.174 19221 10482 1 11 . 1 1 70 70 TRP H H 70 8.172 8.172 8.069 0.103 19221 10483 1 11 . 1 1 71 71 LEU N N 71 125.263 125.263 122.105 3.158 19221 10484 1 11 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.836 -0.596 19221 10485 1 11 . 1 1 71 71 LEU C C 71 178.306 178.306 178.347 -0.041 19221 10486 1 11 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.458 0.152 19221 10487 1 11 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.082 1.108 19221 10488 1 11 . 1 1 71 71 LEU H H 71 6.251 6.251 6.918 -0.667 19221 10489 1 11 . 1 1 72 72 PHE N N 72 117.630 117.630 120.148 -2.518 19221 10490 1 11 . 1 1 72 72 PHE HA H 72 3.813 3.813 4.013 -0.200 19221 10491 1 11 . 1 1 72 72 PHE C C 72 178.797 178.797 177.250 1.547 19221 10492 1 11 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.779 0.792 19221 10493 1 11 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.893 -0.083 19221 10494 1 11 . 1 1 72 72 PHE H H 72 6.996 6.996 8.579 -1.583 19221 10495 1 11 . 1 1 73 73 GLN N N 73 117.950 117.950 118.479 -0.529 19221 10496 1 11 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.802 0.264 19221 10497 1 11 . 1 1 73 73 GLN C C 73 179.341 179.341 178.413 0.928 19221 10498 1 11 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.792 0.298 19221 10499 1 11 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.671 -0.421 19221 10500 1 11 . 1 1 73 73 GLN H H 73 8.415 8.415 8.452 -0.037 19221 10501 1 11 . 1 1 74 74 LEU N N 74 122.275 122.275 122.419 -0.144 19221 10502 1 11 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.041 0.029 19221 10503 1 11 . 1 1 74 74 LEU C C 74 177.889 177.889 178.250 -0.361 19221 10504 1 11 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.733 0.837 19221 10505 1 11 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.620 0.560 19221 10506 1 11 . 1 1 74 74 LEU H H 74 8.365 8.365 8.145 0.220 19221 10507 1 11 . 1 1 75 75 LEU N N 75 118.123 118.123 119.227 -1.104 19221 10508 1 11 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.554 0.173 19221 10509 1 11 . 1 1 75 75 LEU C C 75 180.172 180.172 178.896 1.276 19221 10510 1 11 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.321 0.132 19221 10511 1 11 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.102 1.238 19221 10512 1 11 . 1 1 75 75 LEU H H 75 8.210 8.210 8.589 -0.379 19221 10513 1 11 . 1 1 76 76 ASN N N 76 117.960 117.960 117.651 0.309 19221 10514 1 11 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.124 0.251 19221 10515 1 11 . 1 1 76 76 ASN C C 76 176.582 176.582 176.992 -0.410 19221 10516 1 11 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.134 0.826 19221 10517 1 11 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.812 1.139 19221 10518 1 11 . 1 1 76 76 ASN H H 76 8.363 8.363 8.125 0.238 19221 10519 1 11 . 1 1 77 77 ALA N N 77 121.740 121.740 122.408 -0.668 19221 10520 1 11 . 1 1 77 77 ALA HA H 77 4.167 4.167 3.971 0.196 19221 10521 1 11 . 1 1 77 77 ALA C C 77 179.988 179.988 179.786 0.202 19221 10522 1 11 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.953 0.607 19221 10523 1 11 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.255 -0.924 19221 10524 1 11 . 1 1 77 77 ALA H H 77 8.385 8.385 8.093 0.292 19221 10525 1 11 . 1 1 78 78 LEU N N 78 116.550 116.550 117.917 -1.367 19221 10526 1 11 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.630 0.023 19221 10527 1 11 . 1 1 78 78 LEU C C 78 177.576 177.576 179.030 -1.454 19221 10528 1 11 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.671 1.313 19221 10529 1 11 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.793 0.217 19221 10530 1 11 . 1 1 78 78 LEU H H 78 7.965 7.965 8.230 -0.265 19221 10531 1 11 . 1 1 79 79 THR N N 79 113.220 113.220 113.745 -0.525 19221 10532 1 11 . 1 1 79 79 THR HA H 79 3.807 3.807 4.064 -0.257 19221 10533 1 11 . 1 1 79 79 THR C C 79 176.163 176.163 176.079 0.084 19221 10534 1 11 . 1 1 79 79 THR CA C 79 66.980 66.980 66.003 0.977 19221 10535 1 11 . 1 1 79 79 THR CB C 79 69.240 69.240 69.430 -0.190 19221 10536 1 11 . 1 1 79 79 THR H H 79 7.565 7.565 7.733 -0.168 19221 10537 1 11 . 1 1 80 80 VAL N N 80 110.800 110.800 114.544 -3.744 19221 10538 1 11 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.098 0.410 19221 10539 1 11 . 1 1 80 80 VAL C C 80 176.751 176.751 176.800 -0.049 19221 10540 1 11 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.367 -1.477 19221 10541 1 11 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.854 0.151 19221 10542 1 11 . 1 1 80 80 VAL H H 80 7.792 7.792 7.680 0.112 19221 10543 1 11 . 1 1 81 81 GLY N N 81 112.910 112.910 109.066 3.844 19221 10544 1 11 . 1 1 81 81 GLY C C 81 173.874 173.874 173.686 0.188 19221 10545 1 11 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.086 2.194 19221 10546 1 11 . 1 1 81 81 GLY H H 81 7.506 7.506 7.355 0.151 19221 10547 1 11 . 1 1 82 82 ASP N N 82 119.112 119.112 120.691 -1.579 19221 10548 1 11 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.579 0.261 19221 10549 1 11 . 1 1 82 82 ASP C C 82 175.706 175.706 176.296 -0.590 19221 10550 1 11 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.250 0.670 19221 10551 1 11 . 1 1 82 82 ASP CB C 82 39.950 39.950 40.038 -0.088 19221 10552 1 11 . 1 1 82 82 ASP H H 82 8.254 8.254 7.738 0.516 19221 10553 1 11 . 1 1 83 83 PHE N N 83 123.870 123.870 123.437 0.433 19221 10554 1 11 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.065 -0.237 19221 10555 1 11 . 1 1 83 83 PHE C C 83 177.950 177.950 177.584 0.366 19221 10556 1 11 . 1 1 83 83 PHE CA C 83 62.570 62.570 61.446 1.124 19221 10557 1 11 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.595 0.525 19221 10558 1 11 . 1 1 83 83 PHE H H 83 8.025 8.025 7.224 0.801 19221 10559 1 11 . 1 1 84 84 ASP N N 84 119.583 119.583 119.834 -0.251 19221 10560 1 11 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.505 0.017 19221 10561 1 11 . 1 1 84 84 ASP C C 84 179.005 179.005 178.660 0.345 19221 10562 1 11 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.649 0.011 19221 10563 1 11 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.928 -0.368 19221 10564 1 11 . 1 1 84 84 ASP H H 84 8.464 8.464 8.106 0.358 19221 10565 1 11 . 1 1 85 85 LYS N N 85 122.200 122.200 119.913 2.287 19221 10566 1 11 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.086 0.006 19221 10567 1 11 . 1 1 85 85 LYS C C 85 178.580 178.580 179.062 -0.482 19221 10568 1 11 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.717 -0.467 19221 10569 1 11 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.220 0.090 19221 10570 1 11 . 1 1 85 85 LYS H H 85 8.009 8.009 8.423 -0.414 19221 10571 1 11 . 1 1 86 86 PHE N N 86 118.590 118.590 121.311 -2.721 19221 10572 1 11 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.046 -0.210 19221 10573 1 11 . 1 1 86 86 PHE C C 86 175.649 175.649 176.649 -1.000 19221 10574 1 11 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.595 0.815 19221 10575 1 11 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.875 1.205 19221 10576 1 11 . 1 1 86 86 PHE H H 86 8.331 8.331 8.734 -0.403 19221 10577 1 11 . 1 1 87 87 ASP N N 87 117.790 117.790 119.217 -1.427 19221 10578 1 11 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.056 0.142 19221 10579 1 11 . 1 1 87 87 ASP C C 87 178.542 178.542 178.531 0.011 19221 10580 1 11 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.638 0.202 19221 10581 1 11 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.597 1.293 19221 10582 1 11 . 1 1 87 87 ASP H H 87 8.560 8.560 8.721 -0.161 19221 10583 1 11 . 1 1 88 88 SER N N 88 112.940 112.940 115.572 -2.632 19221 10584 1 11 . 1 1 88 88 SER HA H 88 4.153 4.153 4.206 -0.053 19221 10585 1 11 . 1 1 88 88 SER C C 88 176.823 176.823 175.834 0.989 19221 10586 1 11 . 1 1 88 88 SER CA C 88 61.590 61.590 61.705 -0.115 19221 10587 1 11 . 1 1 88 88 SER CB C 88 63.085 63.085 63.148 -0.063 19221 10588 1 11 . 1 1 88 88 SER H H 88 7.757 7.757 8.115 -0.358 19221 10589 1 11 . 1 1 89 89 LEU N N 89 121.710 121.710 121.980 -0.270 19221 10590 1 11 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.098 0.070 19221 10591 1 11 . 1 1 89 89 LEU C C 89 180.006 180.006 177.911 2.095 19221 10592 1 11 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.896 -0.066 19221 10593 1 11 . 1 1 89 89 LEU CB C 89 43.380 43.380 41.909 1.471 19221 10594 1 11 . 1 1 89 89 LEU H H 89 8.173 8.173 7.359 0.814 19221 10595 1 11 . 1 1 90 90 ILE N N 90 119.830 119.830 120.595 -0.765 19221 10596 1 11 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.366 0.179 19221 10597 1 11 . 1 1 90 90 ILE C C 90 177.083 177.083 178.432 -1.349 19221 10598 1 11 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.849 -1.939 19221 10599 1 11 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.457 -0.377 19221 10600 1 11 . 1 1 90 90 ILE H H 90 8.424 8.424 8.455 -0.031 19221 10601 1 11 . 1 1 91 91 LYS N N 91 117.980 117.980 117.904 0.076 19221 10602 1 11 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.943 -0.042 19221 10603 1 11 . 1 1 91 91 LYS C C 91 178.803 178.803 178.223 0.580 19221 10604 1 11 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.231 0.279 19221 10605 1 11 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.263 0.497 19221 10606 1 11 . 1 1 91 91 LYS H H 91 7.569 7.569 8.125 -0.556 19221 10607 1 11 . 1 1 92 92 VAL N N 92 115.450 115.450 118.509 -3.059 19221 10608 1 11 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.927 0.001 19221 10609 1 11 . 1 1 92 92 VAL C C 92 177.767 177.767 177.604 0.163 19221 10610 1 11 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.356 -0.806 19221 10611 1 11 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.731 0.059 19221 10612 1 11 . 1 1 92 92 VAL H H 92 7.432 7.432 7.627 -0.195 19221 10613 1 11 . 1 1 93 93 GLN N N 93 117.250 117.250 119.624 -2.374 19221 10614 1 11 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.924 0.073 19221 10615 1 11 . 1 1 93 93 GLN C C 93 178.756 178.756 178.930 -0.174 19221 10616 1 11 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.133 -0.573 19221 10617 1 11 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.543 0.127 19221 10618 1 11 . 1 1 93 93 GLN H H 93 8.127 8.127 8.414 -0.287 19221 10619 1 11 . 1 1 94 94 ILE N N 94 118.013 118.013 119.495 -1.482 19221 10620 1 11 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.699 -0.059 19221 10621 1 11 . 1 1 94 94 ILE C C 94 176.252 176.252 178.879 -2.627 19221 10622 1 11 . 1 1 94 94 ILE CA C 94 64.980 64.980 64.793 0.187 19221 10623 1 11 . 1 1 94 94 ILE CB C 94 37.130 37.130 37.470 -0.340 19221 10624 1 11 . 1 1 94 94 ILE H H 94 8.390 8.390 7.913 0.477 19221 10625 1 11 . 1 1 95 95 SER N N 95 112.220 112.220 116.253 -4.033 19221 10626 1 11 . 1 1 95 95 SER HA H 95 4.158 4.158 4.145 0.013 19221 10627 1 11 . 1 1 95 95 SER C C 95 174.893 174.893 175.794 -0.901 19221 10628 1 11 . 1 1 95 95 SER CA C 95 59.890 59.890 60.996 -1.106 19221 10629 1 11 . 1 1 95 95 SER CB C 95 63.170 63.170 62.925 0.245 19221 10630 1 11 . 1 1 95 95 SER H H 95 7.227 7.227 8.078 -0.851 19221 10631 1 11 . 1 1 96 96 LYS N N 96 119.000 119.000 118.326 0.674 19221 10632 1 11 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.207 0.118 19221 10633 1 11 . 1 1 96 96 LYS C C 96 175.903 175.903 175.984 -0.081 19221 10634 1 11 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.870 -0.270 19221 10635 1 11 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.215 0.725 19221 10636 1 11 . 1 1 96 96 LYS H H 96 7.250 7.250 7.537 -0.287 19221 10637 1 11 . 1 1 97 97 ILE N N 97 120.530 120.530 121.048 -0.518 19221 10638 1 11 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.564 0.035 19221 10639 1 11 . 1 1 97 97 ILE C C 97 173.784 173.784 174.157 -0.373 19221 10640 1 11 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.877 -0.465 19221 10641 1 11 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.031 -2.471 19221 10642 1 11 . 1 1 97 97 ILE H H 97 7.713 7.713 7.444 0.269 19221 10643 1 11 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.307 -0.014 19221 10644 1 11 . 1 1 98 98 PRO C C 98 178.885 178.885 178.671 0.214 19221 10645 1 11 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.659 0.661 19221 10646 1 11 . 1 1 98 98 PRO CB C 98 32.270 32.270 31.959 0.311 19221 10647 1 11 . 1 1 99 99 ILE N N 99 115.600 115.600 119.017 -3.417 19221 10648 1 11 . 1 1 99 99 ILE HA H 99 4.292 4.292 4.058 0.234 19221 10649 1 11 . 1 1 99 99 ILE C C 99 177.025 177.025 177.869 -0.844 19221 10650 1 11 . 1 1 99 99 ILE CA C 99 63.780 63.780 63.288 0.492 19221 10651 1 11 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.785 0.295 19221 10652 1 11 . 1 1 99 99 ILE H H 99 8.552 8.552 8.159 0.393 19221 10653 1 11 . 1 1 100 100 LEU N N 100 119.430 119.430 119.279 0.151 19221 10654 1 11 . 1 1 100 100 LEU HA H 100 4.223 4.223 3.793 0.430 19221 10655 1 11 . 1 1 100 100 LEU C C 100 178.223 178.223 179.049 -0.826 19221 10656 1 11 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.745 -0.635 19221 10657 1 11 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.094 1.126 19221 10658 1 11 . 1 1 100 100 LEU H H 100 7.404 7.404 7.452 -0.048 19221 10659 1 11 . 1 1 101 101 ALA N N 101 121.390 121.390 121.697 -0.307 19221 10660 1 11 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.909 0.008 19221 10661 1 11 . 1 1 101 101 ALA C C 101 181.827 181.827 180.061 1.766 19221 10662 1 11 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.781 0.629 19221 10663 1 11 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.004 -0.054 19221 10664 1 11 . 1 1 101 101 ALA H H 101 7.839 7.839 8.148 -0.309 19221 10665 1 11 . 1 1 102 102 GLN N N 102 115.470 115.470 116.536 -1.066 19221 10666 1 11 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.155 -0.078 19221 10667 1 11 . 1 1 102 102 GLN C C 102 176.572 176.572 177.059 -0.487 19221 10668 1 11 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.993 -0.413 19221 10669 1 11 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.313 -0.683 19221 10670 1 11 . 1 1 102 102 GLN H H 102 8.276 8.276 7.926 0.350 19221 10671 1 11 . 1 1 103 103 HIS N N 103 115.980 115.980 112.800 3.180 19221 10672 1 11 . 1 1 103 103 HIS HA H 103 5.124 5.124 5.079 0.045 19221 10673 1 11 . 1 1 103 103 HIS C C 103 175.326 175.326 174.331 0.995 19221 10674 1 11 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.172 2.178 19221 10675 1 11 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.532 1.458 19221 10676 1 11 . 1 1 103 103 HIS H H 103 7.450 7.450 7.798 -0.348 19221 10677 1 11 . 1 1 104 104 GLU N N 104 122.920 122.920 122.701 0.219 19221 10678 1 11 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.796 0.017 19221 10679 1 11 . 1 1 104 104 GLU C C 104 177.960 177.960 177.823 0.137 19221 10680 1 11 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.658 0.852 19221 10681 1 11 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.557 -0.057 19221 10682 1 11 . 1 1 104 104 GLU H H 104 7.332 7.332 7.597 -0.265 19221 10683 1 11 . 1 1 105 105 SER N N 105 113.180 113.180 114.985 -1.805 19221 10684 1 11 . 1 1 105 105 SER HA H 105 4.234 4.234 4.264 -0.030 19221 10685 1 11 . 1 1 105 105 SER C C 105 177.512 177.512 176.759 0.753 19221 10686 1 11 . 1 1 105 105 SER CA C 105 62.100 62.100 61.912 0.188 19221 10687 1 11 . 1 1 105 105 SER CB C 105 62.100 62.100 62.806 -0.706 19221 10688 1 11 . 1 1 105 105 SER H H 105 8.931 8.931 8.640 0.291 19221 10689 1 11 . 1 1 106 106 PHE N N 106 123.770 123.770 124.025 -0.255 19221 10690 1 11 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.418 0.009 19221 10691 1 11 . 1 1 106 106 PHE C C 106 178.007 178.007 176.935 1.072 19221 10692 1 11 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.144 0.246 19221 10693 1 11 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.170 -0.040 19221 10694 1 11 . 1 1 106 106 PHE H H 106 8.040 8.040 7.470 0.570 19221 10695 1 11 . 1 1 107 107 LEU N N 107 121.397 121.397 120.561 0.836 19221 10696 1 11 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.830 0.176 19221 10697 1 11 . 1 1 107 107 LEU C C 107 178.165 178.165 178.882 -0.717 19221 10698 1 11 . 1 1 107 107 LEU CA C 107 58.280 58.280 57.942 0.338 19221 10699 1 11 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.412 0.757 19221 10700 1 11 . 1 1 107 107 LEU H H 107 8.481 8.481 8.260 0.221 19221 10701 1 11 . 1 1 108 108 ARG N N 108 117.450 117.450 119.750 -2.300 19221 10702 1 11 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.969 0.170 19221 10703 1 11 . 1 1 108 108 ARG C C 108 178.343 178.343 178.277 0.066 19221 10704 1 11 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.134 -0.554 19221 10705 1 11 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.161 -0.991 19221 10706 1 11 . 1 1 108 108 ARG H H 108 8.480 8.480 8.474 0.006 19221 10707 1 11 . 1 1 109 109 GLN N N 109 119.098 119.098 118.173 0.925 19221 10708 1 11 . 1 1 109 109 GLN HA H 109 4.075 4.075 3.933 0.142 19221 10709 1 11 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.281 0.014 19221 10710 1 11 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.447 1.061 19221 10711 1 11 . 1 1 109 109 GLN H H 109 7.886 7.886 8.186 -0.300 19221 10712 1 11 . 1 1 110 110 LYS N N 110 121.110 121.110 121.139 -0.029 19221 10713 1 11 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.923 0.065 19221 10714 1 11 . 1 1 110 110 LYS C C 110 178.368 178.368 178.711 -0.343 19221 10715 1 11 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.309 3.241 19221 10716 1 11 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.602 -1.342 19221 10717 1 11 . 1 1 110 110 LYS H H 110 8.356 8.356 7.854 0.502 19221 10718 1 11 . 1 1 111 111 ILE N N 111 116.870 116.870 120.228 -3.358 19221 10719 1 11 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.687 0.211 19221 10720 1 11 . 1 1 111 111 ILE C C 111 178.036 178.036 176.912 1.124 19221 10721 1 11 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.160 0.941 19221 10722 1 11 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.468 -0.553 19221 10723 1 11 . 1 1 111 111 ILE H H 111 7.848 7.848 8.124 -0.276 19221 10724 1 11 . 1 1 112 112 CYS N N 112 123.990 123.990 118.398 5.592 19221 10725 1 11 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.280 -0.199 19221 10726 1 11 . 1 1 112 112 CYS C C 112 176.276 176.276 176.531 -0.255 19221 10727 1 11 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.045 1.355 19221 10728 1 11 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.759 -0.390 19221 10729 1 11 . 1 1 112 112 CYS H H 112 7.473 7.473 7.624 -0.151 19221 10730 1 11 . 1 1 113 113 LEU N N 113 120.218 120.218 122.018 -1.800 19221 10731 1 11 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.670 0.173 19221 10732 1 11 . 1 1 113 113 LEU C C 113 178.584 178.584 178.882 -0.298 19221 10733 1 11 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.543 -0.023 19221 10734 1 11 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.415 1.135 19221 10735 1 11 . 1 1 113 113 LEU H H 113 8.443 8.443 8.501 -0.058 19221 10736 1 11 . 1 1 114 114 MET N N 114 116.910 116.910 117.528 -0.618 19221 10737 1 11 . 1 1 114 114 MET HA H 114 3.952 3.952 3.991 -0.039 19221 10738 1 11 . 1 1 114 114 MET C C 114 178.724 178.724 178.127 0.597 19221 10739 1 11 . 1 1 114 114 MET CA C 114 60.070 60.070 59.444 0.626 19221 10740 1 11 . 1 1 114 114 MET CB C 114 32.910 32.910 32.547 0.363 19221 10741 1 11 . 1 1 114 114 MET H H 114 8.840 8.840 8.657 0.183 19221 10742 1 11 . 1 1 115 115 THR N N 115 115.670 115.670 116.502 -0.832 19221 10743 1 11 . 1 1 115 115 THR HA H 115 4.083 4.083 3.948 0.135 19221 10744 1 11 . 1 1 115 115 THR C C 115 177.434 177.434 176.208 1.226 19221 10745 1 11 . 1 1 115 115 THR CA C 115 66.740 66.740 66.793 -0.053 19221 10746 1 11 . 1 1 115 115 THR CB C 115 68.630 68.630 68.657 -0.027 19221 10747 1 11 . 1 1 115 115 THR H H 115 8.095 8.095 7.757 0.338 19221 10748 1 11 . 1 1 116 116 LEU N N 116 125.420 125.420 123.060 2.360 19221 10749 1 11 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.060 -0.205 19221 10750 1 11 . 1 1 116 116 LEU C C 116 176.903 176.903 177.995 -1.092 19221 10751 1 11 . 1 1 116 116 LEU CA C 116 58.936 58.936 57.864 1.072 19221 10752 1 11 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.174 0.502 19221 10753 1 11 . 1 1 116 116 LEU H H 116 8.164 8.164 7.616 0.548 19221 10754 1 11 . 1 1 117 117 ILE N N 117 114.740 114.740 119.512 -4.772 19221 10755 1 11 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.367 0.252 19221 10756 1 11 . 1 1 117 117 ILE C C 117 177.806 177.806 177.784 0.022 19221 10757 1 11 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.805 -1.215 19221 10758 1 11 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.142 -0.782 19221 10759 1 11 . 1 1 117 117 ILE H H 117 8.032 8.032 8.215 -0.183 19221 10760 1 11 . 1 1 118 118 GLU N N 118 121.200 121.200 120.201 0.999 19221 10761 1 11 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.147 0.053 19221 10762 1 11 . 1 1 118 118 GLU C C 118 178.314 178.314 178.764 -0.450 19221 10763 1 11 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.237 -0.258 19221 10764 1 11 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.703 -0.324 19221 10765 1 11 . 1 1 118 118 GLU H H 118 8.176 8.176 8.671 -0.495 19221 10766 1 11 . 1 1 119 119 THR N N 119 114.460 114.460 117.391 -2.931 19221 10767 1 11 . 1 1 119 119 THR HA H 119 3.917 3.917 4.007 -0.090 19221 10768 1 11 . 1 1 119 119 THR C C 119 175.551 175.551 176.933 -1.382 19221 10769 1 11 . 1 1 119 119 THR CA C 119 67.470 67.470 67.152 0.318 19221 10770 1 11 . 1 1 119 119 THR CB C 119 69.110 69.110 68.435 0.675 19221 10771 1 11 . 1 1 119 119 THR H H 119 8.008 8.008 7.821 0.187 19221 10772 1 11 . 1 1 120 120 VAL N N 120 118.050 118.050 121.879 -3.829 19221 10773 1 11 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.635 -0.015 19221 10774 1 11 . 1 1 120 120 VAL C C 120 178.213 178.213 177.976 0.237 19221 10775 1 11 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.622 -0.602 19221 10776 1 11 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.668 0.162 19221 10777 1 11 . 1 1 120 120 VAL H H 120 7.800 7.800 8.079 -0.279 19221 10778 1 11 . 1 1 121 121 PHE N N 121 118.360 118.360 121.287 -2.927 19221 10779 1 11 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.193 0.027 19221 10780 1 11 . 1 1 121 121 PHE C C 121 178.739 178.739 177.604 1.135 19221 10781 1 11 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.184 0.356 19221 10782 1 11 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.099 1.031 19221 10783 1 11 . 1 1 121 121 PHE H H 121 8.370 8.370 8.403 -0.033 19221 10784 1 11 . 1 1 122 122 VAL N N 122 118.710 118.710 119.262 -0.552 19221 10785 1 11 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.359 0.266 19221 10786 1 11 . 1 1 122 122 VAL C C 122 178.247 178.247 177.302 0.945 19221 10787 1 11 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.327 0.523 19221 10788 1 11 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.988 -0.107 19221 10789 1 11 . 1 1 122 122 VAL H H 122 8.959 8.959 8.496 0.463 19221 10790 1 11 . 1 1 123 123 LYS N N 123 115.960 115.960 116.174 -0.214 19221 10791 1 11 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.300 0.016 19221 10792 1 11 . 1 1 123 123 LYS C C 123 176.148 176.148 175.900 0.248 19221 10793 1 11 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.678 0.852 19221 10794 1 11 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.254 -0.224 19221 10795 1 11 . 1 1 123 123 LYS H H 123 7.688 7.688 7.876 -0.188 19221 10796 1 11 . 1 1 124 124 ASN N N 124 117.440 117.440 116.618 0.822 19221 10797 1 11 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.420 -0.076 19221 10798 1 11 . 1 1 124 124 ASN C C 124 174.205 174.205 174.466 -0.261 19221 10799 1 11 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.993 -0.073 19221 10800 1 11 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.570 -0.500 19221 10801 1 11 . 1 1 124 124 ASN H H 124 7.560 7.560 7.511 0.049 19221 10802 1 11 . 1 1 125 125 ILE N N 125 116.780 116.780 117.603 -0.823 19221 10803 1 11 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.086 0.024 19221 10804 1 11 . 1 1 125 125 ILE C C 125 175.909 175.909 175.809 0.100 19221 10805 1 11 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.111 -0.541 19221 10806 1 11 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.019 1.951 19221 10807 1 11 . 1 1 125 125 ILE H H 125 7.658 7.658 7.418 0.240 19221 10808 1 11 . 1 1 126 126 ARG N N 126 122.400 122.400 122.934 -0.534 19221 10809 1 11 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.490 0.141 19221 10810 1 11 . 1 1 126 126 ARG C C 126 175.296 175.296 175.216 0.080 19221 10811 1 11 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.695 -0.485 19221 10812 1 11 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.787 -0.570 19221 10813 1 11 . 1 1 126 126 ARG H H 126 8.658 8.658 8.674 -0.016 19221 10814 1 11 . 1 1 127 127 MET N N 127 119.870 119.870 119.978 -0.108 19221 10815 1 11 . 1 1 127 127 MET HA H 127 5.412 5.412 5.242 0.170 19221 10816 1 11 . 1 1 127 127 MET C C 127 174.169 174.169 173.897 0.272 19221 10817 1 11 . 1 1 127 127 MET CA C 127 55.130 55.130 54.370 0.760 19221 10818 1 11 . 1 1 127 127 MET CB C 127 35.300 35.300 35.282 0.018 19221 10819 1 11 . 1 1 127 127 MET H H 127 7.487 7.487 7.767 -0.280 19221 10820 1 11 . 1 1 128 128 LEU N N 128 124.940 124.940 125.593 -0.653 19221 10821 1 11 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.978 -0.088 19221 10822 1 11 . 1 1 128 128 LEU C C 128 174.857 174.857 175.119 -0.262 19221 10823 1 11 . 1 1 128 128 LEU CA C 128 54.170 54.170 52.946 1.224 19221 10824 1 11 . 1 1 128 128 LEU CB C 128 46.090 46.090 46.677 -0.587 19221 10825 1 11 . 1 1 128 128 LEU H H 128 8.961 8.961 9.074 -0.113 19221 10826 1 11 . 1 1 129 129 SER N N 129 119.080 119.080 115.079 4.001 19221 10827 1 11 . 1 1 129 129 SER HA H 129 5.503 5.503 5.244 0.259 19221 10828 1 11 . 1 1 129 129 SER C C 129 176.225 176.225 175.753 0.472 19221 10829 1 11 . 1 1 129 129 SER CA C 129 56.630 56.630 56.971 -0.341 19221 10830 1 11 . 1 1 129 129 SER CB C 129 66.030 66.030 65.373 0.657 19221 10831 1 11 . 1 1 129 129 SER H H 129 9.512 9.512 8.260 1.252 19221 10832 1 11 . 1 1 130 130 PHE N N 130 120.530 120.530 123.834 -3.304 19221 10833 1 11 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.096 0.344 19221 10834 1 11 . 1 1 130 130 PHE C C 130 179.046 179.046 177.390 1.656 19221 10835 1 11 . 1 1 130 130 PHE CA C 130 58.730 58.730 61.737 -3.007 19221 10836 1 11 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.589 -2.069 19221 10837 1 11 . 1 1 130 130 PHE H H 130 8.712 8.712 9.394 -0.682 19221 10838 1 11 . 1 1 131 131 GLU N N 131 121.180 121.180 119.875 1.305 19221 10839 1 11 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.848 0.177 19221 10840 1 11 . 1 1 131 131 GLU C C 131 178.039 178.039 178.305 -0.266 19221 10841 1 11 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.629 -0.759 19221 10842 1 11 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.229 0.241 19221 10843 1 11 . 1 1 131 131 GLU H H 131 8.961 8.961 8.681 0.280 19221 10844 1 11 . 1 1 132 132 ASP N N 132 120.930 120.930 119.145 1.785 19221 10845 1 11 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.462 -0.065 19221 10846 1 11 . 1 1 132 132 ASP C C 132 180.369 180.369 178.658 1.711 19221 10847 1 11 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.031 0.659 19221 10848 1 11 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.594 0.146 19221 10849 1 11 . 1 1 132 132 ASP H H 132 8.369 8.369 7.607 0.762 19221 10850 1 11 . 1 1 133 133 ILE N N 133 120.360 120.360 120.081 0.279 19221 10851 1 11 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.616 -0.107 19221 10852 1 11 . 1 1 133 133 ILE C C 133 178.895 178.895 178.213 0.682 19221 10853 1 11 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.296 0.984 19221 10854 1 11 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.811 -0.281 19221 10855 1 11 . 1 1 133 133 ILE H H 133 8.062 8.062 8.282 -0.220 19221 10856 1 11 . 1 1 134 134 SER N N 134 120.050 120.050 116.802 3.248 19221 10857 1 11 . 1 1 134 134 SER HA H 134 4.074 4.074 4.230 -0.156 19221 10858 1 11 . 1 1 134 134 SER C C 134 176.934 176.934 176.341 0.593 19221 10859 1 11 . 1 1 134 134 SER CA C 134 61.240 61.240 61.362 -0.122 19221 10860 1 11 . 1 1 134 134 SER CB C 134 63.400 63.400 62.950 0.450 19221 10861 1 11 . 1 1 134 134 SER H H 134 8.823 8.823 8.315 0.508 19221 10862 1 11 . 1 1 135 135 LYS N N 135 119.060 119.060 120.564 -1.504 19221 10863 1 11 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.990 -0.060 19221 10864 1 11 . 1 1 135 135 LYS C C 135 178.986 178.986 178.520 0.466 19221 10865 1 11 . 1 1 135 135 LYS CA C 135 59.270 59.270 59.242 0.028 19221 10866 1 11 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.459 0.011 19221 10867 1 11 . 1 1 135 135 LYS H H 135 8.258 8.258 8.111 0.147 19221 10868 1 11 . 1 1 136 136 ALA N N 136 118.350 118.350 120.027 -1.677 19221 10869 1 11 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.371 -0.169 19221 10870 1 11 . 1 1 136 136 ALA C C 136 178.653 178.653 179.263 -0.610 19221 10871 1 11 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.444 0.036 19221 10872 1 11 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.123 -0.282 19221 10873 1 11 . 1 1 136 136 ALA H H 136 7.538 7.538 7.741 -0.203 19221 10874 1 11 . 1 1 137 137 THR N N 137 101.770 101.770 108.592 -6.822 19221 10875 1 11 . 1 1 137 137 THR HA H 137 4.274 4.274 4.221 0.053 19221 10876 1 11 . 1 1 137 137 THR C C 137 172.932 172.932 175.201 -2.269 19221 10877 1 11 . 1 1 137 137 THR CA C 137 61.990 61.990 63.138 -1.148 19221 10878 1 11 . 1 1 137 137 THR CB C 137 71.200 71.200 70.261 0.939 19221 10879 1 11 . 1 1 137 137 THR H H 137 7.777 7.777 8.171 -0.394 19221 10880 1 11 . 1 1 138 138 HIS N N 138 113.660 113.660 119.479 -5.819 19221 10881 1 11 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.196 -0.237 19221 10882 1 11 . 1 1 138 138 HIS C C 138 173.700 173.700 173.260 0.440 19221 10883 1 11 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.277 -0.947 19221 10884 1 11 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.661 -2.251 19221 10885 1 11 . 1 1 138 138 HIS H H 138 7.567 7.567 7.924 -0.357 19221 10886 1 11 . 1 1 139 139 LEU N N 139 120.070 120.070 115.329 4.741 19221 10887 1 11 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.878 -0.035 19221 10888 1 11 . 1 1 139 139 LEU C C 139 174.376 174.376 174.387 -0.011 19221 10889 1 11 . 1 1 139 139 LEU CA C 139 51.870 51.870 51.774 0.096 19221 10890 1 11 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.898 1.852 19221 10891 1 11 . 1 1 139 139 LEU H H 139 7.513 7.513 7.543 -0.030 19221 10892 1 11 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.639 -0.248 19221 10893 1 11 . 1 1 140 140 PRO C C 140 177.985 177.985 178.398 -0.413 19221 10894 1 11 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.220 0.170 19221 10895 1 11 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.671 -0.601 19221 10896 1 11 . 1 1 141 141 LYS N N 141 123.930 123.930 120.756 3.174 19221 10897 1 11 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.826 -0.007 19221 10898 1 11 . 1 1 141 141 LYS C C 141 178.083 178.083 178.133 -0.050 19221 10899 1 11 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.456 0.374 19221 10900 1 11 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.092 -0.202 19221 10901 1 11 . 1 1 141 141 LYS H H 141 8.950 8.950 8.508 0.442 19221 10902 1 11 . 1 1 142 142 ASP N N 142 114.510 114.510 115.336 -0.826 19221 10903 1 11 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.489 0.006 19221 10904 1 11 . 1 1 142 142 ASP C C 142 176.656 176.656 177.035 -0.379 19221 10905 1 11 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.424 -0.834 19221 10906 1 11 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.722 -0.982 19221 10907 1 11 . 1 1 142 142 ASP H H 142 8.491 8.491 8.530 -0.039 19221 10908 1 11 . 1 1 143 143 ASN N N 143 116.400 116.400 115.071 1.329 19221 10909 1 11 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.919 0.147 19221 10910 1 11 . 1 1 143 143 ASN C C 143 175.954 175.954 176.280 -0.326 19221 10911 1 11 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.615 -0.395 19221 10912 1 11 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.370 0.580 19221 10913 1 11 . 1 1 143 143 ASN H H 143 8.191 8.191 7.953 0.238 19221 10914 1 11 . 1 1 144 144 VAL N N 144 120.490 120.490 121.090 -0.600 19221 10915 1 11 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.379 -0.056 19221 10916 1 11 . 1 1 144 144 VAL C C 144 176.423 176.423 176.583 -0.160 19221 10917 1 11 . 1 1 144 144 VAL CA C 144 66.990 66.990 67.119 -0.129 19221 10918 1 11 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.389 0.051 19221 10919 1 11 . 1 1 144 144 VAL H H 144 7.472 7.472 7.810 -0.338 19221 10920 1 11 . 1 1 145 145 GLU N N 145 122.340 122.340 118.435 3.905 19221 10921 1 11 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.572 -0.311 19221 10922 1 11 . 1 1 145 145 GLU C C 145 177.853 177.853 178.351 -0.498 19221 10923 1 11 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.718 1.112 19221 10924 1 11 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.885 -0.075 19221 10925 1 11 . 1 1 145 145 GLU H H 145 9.141 9.141 8.022 1.119 19221 10926 1 11 . 1 1 146 146 HIS N N 146 116.970 116.970 118.990 -2.020 19221 10927 1 11 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.420 -0.246 19221 10928 1 11 . 1 1 146 146 HIS C C 146 177.947 177.947 177.787 0.160 19221 10929 1 11 . 1 1 146 146 HIS CA C 146 59.540 59.540 58.561 0.979 19221 10930 1 11 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.746 0.704 19221 10931 1 11 . 1 1 146 146 HIS H H 146 8.162 8.162 7.333 0.829 19221 10932 1 11 . 1 1 147 147 LEU N N 147 120.670 120.670 121.017 -0.347 19221 10933 1 11 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.091 -0.131 19221 10934 1 11 . 1 1 147 147 LEU C C 147 178.427 178.427 178.835 -0.408 19221 10935 1 11 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.178 0.092 19221 10936 1 11 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.507 0.230 19221 10937 1 11 . 1 1 147 147 LEU H H 147 7.336 7.336 7.938 -0.602 19221 10938 1 11 . 1 1 148 148 VAL N N 148 118.060 118.060 116.395 1.665 19221 10939 1 11 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.671 -0.448 19221 10940 1 11 . 1 1 148 148 VAL C C 148 177.801 177.801 177.869 -0.068 19221 10941 1 11 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.936 1.025 19221 10942 1 11 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.209 -0.199 19221 10943 1 11 . 1 1 148 148 VAL H H 148 8.172 8.172 7.976 0.196 19221 10944 1 11 . 1 1 149 149 MET N N 149 117.770 117.770 119.623 -1.853 19221 10945 1 11 . 1 1 149 149 MET HA H 149 4.123 4.123 4.062 0.061 19221 10946 1 11 . 1 1 149 149 MET C C 149 179.823 179.823 178.713 1.110 19221 10947 1 11 . 1 1 149 149 MET CA C 149 58.630 58.630 59.506 -0.876 19221 10948 1 11 . 1 1 149 149 MET CB C 149 31.496 31.496 32.036 -0.540 19221 10949 1 11 . 1 1 149 149 MET H H 149 8.585 8.585 8.566 0.019 19221 10950 1 11 . 1 1 150 150 ARG N N 150 121.900 121.900 119.528 2.372 19221 10951 1 11 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.050 0.044 19221 10952 1 11 . 1 1 150 150 ARG C C 150 177.928 177.928 178.289 -0.361 19221 10953 1 11 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.303 -1.153 19221 10954 1 11 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.745 -0.996 19221 10955 1 11 . 1 1 150 150 ARG H H 150 8.160 8.160 8.328 -0.168 19221 10956 1 11 . 1 1 151 151 ALA N N 151 121.710 121.710 122.565 -0.855 19221 10957 1 11 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.986 -0.188 19221 10958 1 11 . 1 1 151 151 ALA C C 151 179.518 179.518 179.510 0.008 19221 10959 1 11 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.183 0.557 19221 10960 1 11 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.328 -0.438 19221 10961 1 11 . 1 1 151 151 ALA H H 151 8.165 8.165 7.578 0.587 19221 10962 1 11 . 1 1 152 152 ILE N N 152 118.590 118.590 118.289 0.301 19221 10963 1 11 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.808 0.574 19221 10964 1 11 . 1 1 152 152 ILE C C 152 181.439 181.439 179.325 2.114 19221 10965 1 11 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.675 -0.115 19221 10966 1 11 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.950 0.750 19221 10967 1 11 . 1 1 152 152 ILE H H 152 8.331 8.331 8.197 0.134 19221 10968 1 11 . 1 1 153 153 SER N N 153 120.250 120.250 116.239 4.011 19221 10969 1 11 . 1 1 153 153 SER HA H 153 4.279 4.279 4.211 0.068 19221 10970 1 11 . 1 1 153 153 SER C C 153 176.745 176.745 175.955 0.790 19221 10971 1 11 . 1 1 153 153 SER CA C 153 62.040 62.040 61.657 0.383 19221 10972 1 11 . 1 1 153 153 SER CB C 153 62.930 62.930 63.138 -0.208 19221 10973 1 11 . 1 1 153 153 SER H H 153 8.756 8.756 8.278 0.478 19221 10974 1 11 . 1 1 154 154 LEU N N 154 119.480 119.480 117.544 1.936 19221 10975 1 11 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.201 0.144 19221 10976 1 11 . 1 1 154 154 LEU C C 154 177.351 177.351 177.875 -0.524 19221 10977 1 11 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.962 -0.507 19221 10978 1 11 . 1 1 154 154 LEU CB C 154 44.000 44.000 42.275 1.725 19221 10979 1 11 . 1 1 154 154 LEU H H 154 8.129 8.129 8.119 0.010 19221 10980 1 11 . 1 1 155 155 GLY N N 155 106.990 106.990 106.392 0.598 19221 10981 1 11 . 1 1 155 155 GLY C C 155 174.867 174.867 175.448 -0.581 19221 10982 1 11 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.101 -0.301 19221 10983 1 11 . 1 1 155 155 GLY H H 155 8.023 8.023 7.920 0.103 19221 10984 1 11 . 1 1 156 156 LEU N N 156 116.510 116.510 119.317 -2.807 19221 10985 1 11 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.317 -0.057 19221 10986 1 11 . 1 1 156 156 LEU C C 156 175.387 175.387 176.004 -0.617 19221 10987 1 11 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.350 -0.420 19221 10988 1 11 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.425 0.796 19221 10989 1 11 . 1 1 156 156 LEU H H 156 8.101 8.101 7.582 0.519 19221 10990 1 11 . 1 1 157 157 LEU N N 157 112.790 112.790 111.307 1.483 19221 10991 1 11 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.023 -0.023 19221 10992 1 11 . 1 1 157 157 LEU C C 157 175.382 175.382 174.856 0.526 19221 10993 1 11 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.796 -0.156 19221 10994 1 11 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.252 1.308 19221 10995 1 11 . 1 1 157 157 LEU H H 157 7.194 7.194 7.406 -0.212 19221 10996 1 11 . 1 1 158 158 LYS N N 158 121.010 121.010 119.872 1.138 19221 10997 1 11 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.791 0.004 19221 10998 1 11 . 1 1 158 158 LYS C C 158 175.461 175.461 175.434 0.027 19221 10999 1 11 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.761 0.299 19221 11000 1 11 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.469 1.721 19221 11001 1 11 . 1 1 158 158 LYS H H 158 9.056 9.056 8.788 0.268 19221 11002 1 11 . 1 1 159 159 GLY N N 159 109.800 109.800 111.425 -1.625 19221 11003 1 11 . 1 1 159 159 GLY C C 159 170.992 170.992 173.006 -2.014 19221 11004 1 11 . 1 1 159 159 GLY CA C 159 46.140 46.140 44.987 1.153 19221 11005 1 11 . 1 1 159 159 GLY H H 159 8.287 8.287 8.169 0.118 19221 11006 1 11 . 1 1 160 160 SER N N 160 112.940 112.940 114.570 -1.630 19221 11007 1 11 . 1 1 160 160 SER HA H 160 4.780 4.780 4.783 -0.003 19221 11008 1 11 . 1 1 160 160 SER C C 160 172.525 172.525 173.332 -0.807 19221 11009 1 11 . 1 1 160 160 SER CA C 160 56.840 56.840 57.658 -0.818 19221 11010 1 11 . 1 1 160 160 SER CB C 160 65.660 65.660 66.404 -0.744 19221 11011 1 11 . 1 1 160 160 SER H H 160 8.847 8.847 8.766 0.081 19221 11012 1 11 . 1 1 161 161 ILE N N 161 123.020 123.020 124.499 -1.479 19221 11013 1 11 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.116 0.290 19221 11014 1 11 . 1 1 161 161 ILE C C 161 174.457 174.457 175.776 -1.319 19221 11015 1 11 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.556 -0.137 19221 11016 1 11 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.926 1.302 19221 11017 1 11 . 1 1 161 161 ILE H H 161 8.867 8.867 8.680 0.187 19221 11018 1 11 . 1 1 162 162 ASP N N 162 128.130 128.130 125.882 2.248 19221 11019 1 11 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.997 -0.081 19221 11020 1 11 . 1 1 162 162 ASP C C 162 176.575 176.575 176.594 -0.019 19221 11021 1 11 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.829 -1.089 19221 11022 1 11 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.870 0.270 19221 11023 1 11 . 1 1 162 162 ASP H H 162 8.955 8.955 8.697 0.258 19221 11024 1 11 . 1 1 163 163 GLN N N 163 123.480 123.480 119.331 4.149 19221 11025 1 11 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.471 0.382 19221 11026 1 11 . 1 1 163 163 GLN C C 163 177.627 177.627 176.799 0.828 19221 11027 1 11 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.337 0.873 19221 11028 1 11 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.235 0.685 19221 11029 1 11 . 1 1 163 163 GLN H H 163 8.982 8.982 8.483 0.499 19221 11030 1 11 . 1 1 164 164 VAL N N 164 119.220 119.220 119.101 0.119 19221 11031 1 11 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.749 -0.066 19221 11032 1 11 . 1 1 164 164 VAL C C 164 177.519 177.519 177.127 0.392 19221 11033 1 11 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.648 1.122 19221 11034 1 11 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.215 0.715 19221 11035 1 11 . 1 1 164 164 VAL H H 164 7.974 7.974 8.198 -0.224 19221 11036 1 11 . 1 1 165 165 ASN N N 165 114.430 114.430 116.228 -1.798 19221 11037 1 11 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.686 -0.085 19221 11038 1 11 . 1 1 165 165 ASN C C 165 172.795 172.795 174.638 -1.843 19221 11039 1 11 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.198 -0.298 19221 11040 1 11 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.530 -0.700 19221 11041 1 11 . 1 1 165 165 ASN H H 165 7.502 7.502 7.760 -0.258 19221 11042 1 11 . 1 1 166 166 GLU N N 166 116.970 116.970 113.526 3.444 19221 11043 1 11 . 1 1 166 166 GLU HA H 166 2.014 2.014 3.012 -0.998 19221 11044 1 11 . 1 1 166 166 GLU C C 166 174.562 174.562 173.932 0.630 19221 11045 1 11 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.962 -0.734 19221 11046 1 11 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.288 -0.472 19221 11047 1 11 . 1 1 166 166 GLU H H 166 7.268 7.268 7.660 -0.392 19221 11048 1 11 . 1 1 167 167 LEU N N 167 117.360 117.360 117.481 -0.121 19221 11049 1 11 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.363 -0.365 19221 11050 1 11 . 1 1 167 167 LEU C C 167 175.659 175.659 175.878 -0.219 19221 11051 1 11 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.246 0.423 19221 11052 1 11 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.405 0.905 19221 11053 1 11 . 1 1 167 167 LEU H H 167 7.699 7.699 7.695 0.004 19221 11054 1 11 . 1 1 168 168 VAL N N 168 125.350 125.350 117.988 7.362 19221 11055 1 11 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.672 0.167 19221 11056 1 11 . 1 1 168 168 VAL C C 168 174.792 174.792 174.713 0.079 19221 11057 1 11 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.293 -0.163 19221 11058 1 11 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.184 -1.835 19221 11059 1 11 . 1 1 168 168 VAL H H 168 9.445 9.445 9.112 0.333 19221 11060 1 11 . 1 1 169 169 THR N N 169 123.020 123.020 122.280 0.740 19221 11061 1 11 . 1 1 169 169 THR HA H 169 4.869 4.869 5.145 -0.276 19221 11062 1 11 . 1 1 169 169 THR C C 169 173.876 173.876 173.925 -0.049 19221 11063 1 11 . 1 1 169 169 THR CA C 169 61.580 61.580 61.474 0.106 19221 11064 1 11 . 1 1 169 169 THR CB C 169 69.750 69.750 69.488 0.262 19221 11065 1 11 . 1 1 169 169 THR H H 169 8.824 8.824 9.063 -0.239 19221 11066 1 11 . 1 1 170 170 ILE N N 170 126.700 126.700 127.351 -0.651 19221 11067 1 11 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.125 0.417 19221 11068 1 11 . 1 1 170 170 ILE C C 170 175.672 175.672 175.664 0.008 19221 11069 1 11 . 1 1 170 170 ILE CA C 170 60.330 60.330 61.316 -0.986 19221 11070 1 11 . 1 1 170 170 ILE CB C 170 39.610 39.610 38.763 0.847 19221 11071 1 11 . 1 1 170 170 ILE H H 170 8.911 8.911 8.419 0.492 19221 11072 1 11 . 1 1 171 171 SER N N 171 122.780 122.780 118.781 3.999 19221 11073 1 11 . 1 1 171 171 SER HA H 171 4.670 4.670 4.794 -0.124 19221 11074 1 11 . 1 1 171 171 SER C C 171 174.700 174.700 173.646 1.054 19221 11075 1 11 . 1 1 171 171 SER CA C 171 58.280 58.280 58.848 -0.568 19221 11076 1 11 . 1 1 171 171 SER CB C 171 64.560 64.560 65.749 -1.189 19221 11077 1 11 . 1 1 171 171 SER H H 171 9.242 9.242 9.114 0.128 19221 11078 1 11 . 1 1 172 172 TRP N N 172 123.970 123.970 120.948 3.022 19221 11079 1 11 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.827 -0.192 19221 11080 1 11 . 1 1 172 172 TRP C C 172 172.618 172.618 173.311 -0.693 19221 11081 1 11 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.034 0.876 19221 11082 1 11 . 1 1 172 172 TRP CB C 172 31.650 31.650 33.041 -1.391 19221 11083 1 11 . 1 1 172 172 TRP H H 172 7.929 7.929 7.764 0.165 19221 11084 1 11 . 1 1 173 173 VAL N N 173 123.660 123.660 122.869 0.791 19221 11085 1 11 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.055 0.075 19221 11086 1 11 . 1 1 173 173 VAL C C 173 170.746 170.746 172.674 -1.928 19221 11087 1 11 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.866 -0.766 19221 11088 1 11 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.034 0.186 19221 11089 1 11 . 1 1 173 173 VAL H H 173 6.764 6.764 7.404 -0.640 19221 11090 1 11 . 1 1 174 174 GLN N N 174 126.430 126.430 126.732 -0.302 19221 11091 1 11 . 1 1 174 174 GLN HA H 174 3.606 3.606 4.015 -0.409 19221 11092 1 11 . 1 1 174 174 GLN C C 174 172.955 172.955 175.164 -2.209 19221 11093 1 11 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.031 0.019 19221 11094 1 11 . 1 1 174 174 GLN CB C 174 29.760 29.760 30.044 -0.284 19221 11095 1 11 . 1 1 174 174 GLN H H 174 7.071 7.071 8.551 -1.480 19221 11096 1 11 . 1 1 175 175 PRO HA H 175 3.861 3.861 3.316 0.545 19221 11097 1 11 . 1 1 175 175 PRO C C 175 175.955 175.955 175.660 0.295 19221 11098 1 11 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.225 -0.475 19221 11099 1 11 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.848 0.552 19221 11100 1 12 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.115 0.025 19221 11101 1 12 . 1 1 2 2 LYS CA C 2 56.090 56.090 54.736 1.353 19221 11102 1 12 . 1 1 2 2 LYS CB C 2 32.930 32.930 34.776 -1.846 19221 11103 1 12 . 1 1 4 4 ASP C C 4 176.140 176.140 177.487 -1.347 19221 11104 1 12 . 1 1 4 4 ASP CA C 4 55.530 55.530 55.318 0.212 19221 11105 1 12 . 1 1 4 4 ASP CB C 4 41.980 41.980 41.412 0.568 19221 11106 1 12 . 1 1 5 5 PHE N N 5 122.270 122.270 124.771 -2.501 19221 11107 1 12 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.250 -0.071 19221 11108 1 12 . 1 1 5 5 PHE C C 5 177.706 177.706 177.817 -0.111 19221 11109 1 12 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.258 0.622 19221 11110 1 12 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.953 -0.052 19221 11111 1 12 . 1 1 5 5 PHE H H 5 7.853 7.853 8.675 -0.822 19221 11112 1 12 . 1 1 6 6 ASN N N 6 114.920 114.920 118.838 -3.918 19221 11113 1 12 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.467 -0.066 19221 11114 1 12 . 1 1 6 6 ASN C C 6 176.990 176.990 177.969 -0.979 19221 11115 1 12 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.998 -0.528 19221 11116 1 12 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.207 1.016 19221 11117 1 12 . 1 1 6 6 ASN H H 6 8.051 8.051 8.822 -0.771 19221 11118 1 12 . 1 1 7 7 SER N N 7 112.970 112.970 117.703 -4.733 19221 11119 1 12 . 1 1 7 7 SER HA H 7 4.435 4.435 4.228 0.207 19221 11120 1 12 . 1 1 7 7 SER C C 7 177.780 177.780 176.461 1.319 19221 11121 1 12 . 1 1 7 7 SER CA C 7 61.440 61.440 61.937 -0.497 19221 11122 1 12 . 1 1 7 7 SER CB C 7 62.770 62.770 63.268 -0.498 19221 11123 1 12 . 1 1 7 7 SER H H 7 8.041 8.041 7.932 0.109 19221 11124 1 12 . 1 1 8 8 PHE N N 8 123.560 123.560 123.357 0.203 19221 11125 1 12 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.181 -0.114 19221 11126 1 12 . 1 1 8 8 PHE C C 8 177.959 177.959 177.324 0.635 19221 11127 1 12 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.662 0.448 19221 11128 1 12 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.173 -0.207 19221 11129 1 12 . 1 1 8 8 PHE H H 8 8.364 8.364 8.620 -0.256 19221 11130 1 12 . 1 1 9 9 TYR N N 9 122.550 122.550 121.428 1.122 19221 11131 1 12 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.999 0.001 19221 11132 1 12 . 1 1 9 9 TYR C C 9 176.360 176.360 176.848 -0.488 19221 11133 1 12 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.347 -0.337 19221 11134 1 12 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.344 -0.144 19221 11135 1 12 . 1 1 9 9 TYR H H 9 8.230 8.230 8.947 -0.717 19221 11136 1 12 . 1 1 10 10 TYR N N 10 115.490 115.490 118.783 -3.293 19221 11137 1 12 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.965 0.141 19221 11138 1 12 . 1 1 10 10 TYR C C 10 180.280 180.280 177.690 2.590 19221 11139 1 12 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.635 0.885 19221 11140 1 12 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.873 -0.944 19221 11141 1 12 . 1 1 10 10 TYR H H 10 7.958 7.958 8.455 -0.497 19221 11142 1 12 . 1 1 11 11 THR N N 11 115.140 115.140 116.190 -1.050 19221 11143 1 12 . 1 1 11 11 THR HA H 11 3.934 3.934 3.725 0.209 19221 11144 1 12 . 1 1 11 11 THR CA C 11 66.560 66.560 66.947 -0.387 19221 11145 1 12 . 1 1 11 11 THR CB C 11 68.750 68.750 67.932 0.818 19221 11146 1 12 . 1 1 11 11 THR H H 11 8.806 8.806 8.590 0.216 19221 11147 1 12 . 1 1 12 12 SER N N 12 120.384 120.384 117.525 2.859 19221 11148 1 12 . 1 1 12 12 SER HA H 12 3.346 3.346 4.092 -0.746 19221 11149 1 12 . 1 1 12 12 SER C C 12 175.891 175.891 175.908 -0.017 19221 11150 1 12 . 1 1 12 12 SER CA C 12 62.740 62.740 61.967 0.773 19221 11151 1 12 . 1 1 12 12 SER CB C 12 62.580 62.580 63.090 -0.510 19221 11152 1 12 . 1 1 12 12 SER H H 12 8.151 8.151 8.342 -0.191 19221 11153 1 12 . 1 1 13 13 LEU N N 13 121.640 121.640 120.068 1.572 19221 11154 1 12 . 1 1 13 13 LEU HA H 13 3.801 3.801 4.331 -0.530 19221 11155 1 12 . 1 1 13 13 LEU C C 13 180.374 180.374 178.008 2.366 19221 11156 1 12 . 1 1 13 13 LEU CA C 13 58.350 58.350 56.801 1.549 19221 11157 1 12 . 1 1 13 13 LEU CB C 13 41.410 41.410 42.043 -0.633 19221 11158 1 12 . 1 1 13 13 LEU H H 13 7.893 7.893 7.522 0.371 19221 11159 1 12 . 1 1 14 14 LEU N N 14 120.470 120.470 121.609 -1.139 19221 11160 1 12 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.762 0.399 19221 11161 1 12 . 1 1 14 14 LEU C C 14 179.880 179.880 177.915 1.965 19221 11162 1 12 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.661 0.339 19221 11163 1 12 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.211 0.339 19221 11164 1 12 . 1 1 14 14 LEU H H 14 7.528 7.528 8.259 -0.731 19221 11165 1 12 . 1 1 15 15 TYR N N 15 122.257 122.257 119.121 3.136 19221 11166 1 12 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.184 0.081 19221 11167 1 12 . 1 1 15 15 TYR C C 15 177.033 177.033 177.510 -0.477 19221 11168 1 12 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.750 -0.020 19221 11169 1 12 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.224 -0.124 19221 11170 1 12 . 1 1 15 15 TYR H H 15 8.135 8.135 8.222 -0.087 19221 11171 1 12 . 1 1 16 16 LEU N N 16 118.440 118.440 118.127 0.313 19221 11172 1 12 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.839 -0.034 19221 11173 1 12 . 1 1 16 16 LEU C C 16 179.055 179.055 178.324 0.731 19221 11174 1 12 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.255 -0.042 19221 11175 1 12 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.614 0.451 19221 11176 1 12 . 1 1 16 16 LEU H H 16 8.452 8.452 7.783 0.669 19221 11177 1 12 . 1 1 17 17 SER N N 17 114.450 114.450 113.644 0.806 19221 11178 1 12 . 1 1 17 17 SER HA H 17 4.430 4.430 4.201 0.229 19221 11179 1 12 . 1 1 17 17 SER C C 17 175.197 175.197 175.853 -0.656 19221 11180 1 12 . 1 1 17 17 SER CA C 17 61.040 61.040 61.013 0.027 19221 11181 1 12 . 1 1 17 17 SER CB C 17 63.460 63.460 63.492 -0.032 19221 11182 1 12 . 1 1 17 17 SER H H 17 7.848 7.848 7.709 0.139 19221 11183 1 12 . 1 1 18 18 THR N N 18 110.850 110.850 113.911 -3.061 19221 11184 1 12 . 1 1 18 18 THR HA H 18 4.452 4.452 4.248 0.204 19221 11185 1 12 . 1 1 18 18 THR C C 18 174.439 174.439 175.285 -0.846 19221 11186 1 12 . 1 1 18 18 THR CA C 18 61.421 61.421 63.142 -1.721 19221 11187 1 12 . 1 1 18 18 THR CB C 18 69.940 69.940 69.622 0.318 19221 11188 1 12 . 1 1 18 18 THR H H 18 7.505 7.505 7.737 -0.232 19221 11189 1 12 . 1 1 19 19 LEU N N 19 123.180 123.180 124.345 -1.165 19221 11190 1 12 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.076 0.084 19221 11191 1 12 . 1 1 19 19 LEU C C 19 176.926 176.926 175.874 1.052 19221 11192 1 12 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.369 -0.079 19221 11193 1 12 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.337 0.111 19221 11194 1 12 . 1 1 19 19 LEU H H 19 7.095 7.095 7.478 -0.383 19221 11195 1 12 . 1 1 20 20 GLU N N 20 125.330 125.330 125.535 -0.205 19221 11196 1 12 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.366 0.242 19221 11197 1 12 . 1 1 20 20 GLU C C 20 175.915 175.915 176.511 -0.596 19221 11198 1 12 . 1 1 20 20 GLU CA C 20 54.773 54.773 54.075 0.698 19221 11199 1 12 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.417 0.173 19221 11200 1 12 . 1 1 20 20 GLU H H 20 8.535 8.535 8.281 0.254 19221 11201 1 12 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.304 0.029 19221 11202 1 12 . 1 1 21 21 PRO C C 21 177.196 177.196 178.474 -1.278 19221 11203 1 12 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.944 -0.163 19221 11204 1 12 . 1 1 21 21 PRO CB C 21 31.850 31.850 32.084 -0.234 19221 11205 1 12 . 1 1 22 22 SER N N 22 111.220 111.220 115.503 -4.283 19221 11206 1 12 . 1 1 22 22 SER HA H 22 4.398 4.398 4.232 0.166 19221 11207 1 12 . 1 1 22 22 SER C C 22 175.056 175.056 175.438 -0.382 19221 11208 1 12 . 1 1 22 22 SER CA C 22 58.530 58.530 60.594 -2.064 19221 11209 1 12 . 1 1 22 22 SER CB C 22 63.500 63.500 63.024 0.476 19221 11210 1 12 . 1 1 22 22 SER H H 22 7.967 7.967 8.617 -0.650 19221 11211 1 12 . 1 1 23 23 THR N N 23 117.440 117.440 115.384 2.056 19221 11212 1 12 . 1 1 23 23 THR HA H 23 4.279 4.279 4.540 -0.261 19221 11213 1 12 . 1 1 23 23 THR C C 23 174.573 174.573 173.621 0.952 19221 11214 1 12 . 1 1 23 23 THR CA C 23 62.920 62.920 61.088 1.832 19221 11215 1 12 . 1 1 23 23 THR CB C 23 69.260 69.260 69.351 -0.091 19221 11216 1 12 . 1 1 23 23 THR H H 23 7.936 7.936 7.586 0.350 19221 11217 1 12 . 1 1 24 24 SER N N 24 119.820 119.820 118.603 1.217 19221 11218 1 12 . 1 1 24 24 SER HA H 24 4.485 4.485 4.283 0.202 19221 11219 1 12 . 1 1 24 24 SER C C 24 174.082 174.082 175.184 -1.102 19221 11220 1 12 . 1 1 24 24 SER CA C 24 58.600 58.600 59.829 -1.229 19221 11221 1 12 . 1 1 24 24 SER CB C 24 63.430 63.430 63.798 -0.368 19221 11222 1 12 . 1 1 24 24 SER H H 24 8.438 8.438 7.663 0.775 19221 11223 1 12 . 1 1 25 25 ILE N N 25 123.140 123.140 120.114 3.026 19221 11224 1 12 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.141 0.338 19221 11225 1 12 . 1 1 25 25 ILE C C 25 176.472 176.472 176.273 0.199 19221 11226 1 12 . 1 1 25 25 ILE CA C 25 61.010 61.010 61.014 -0.005 19221 11227 1 12 . 1 1 25 25 ILE CB C 25 39.460 39.460 38.262 1.198 19221 11228 1 12 . 1 1 25 25 ILE H H 25 7.870 7.870 8.196 -0.326 19221 11229 1 12 . 1 1 26 26 THR N N 26 118.120 118.120 113.785 4.335 19221 11230 1 12 . 1 1 26 26 THR HA H 26 4.394 4.394 4.370 0.024 19221 11231 1 12 . 1 1 26 26 THR C C 26 175.540 175.540 175.340 0.200 19221 11232 1 12 . 1 1 26 26 THR CA C 26 61.890 61.890 61.373 0.517 19221 11233 1 12 . 1 1 26 26 THR CB C 26 71.320 71.320 69.871 1.449 19221 11234 1 12 . 1 1 26 26 THR H H 26 8.649 8.649 8.191 0.458 19221 11235 1 12 . 1 1 27 27 LEU N N 27 123.130 123.130 122.830 0.300 19221 11236 1 12 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.018 0.071 19221 11237 1 12 . 1 1 27 27 LEU C C 27 178.653 178.653 178.070 0.583 19221 11238 1 12 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.337 0.423 19221 11239 1 12 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.520 -0.340 19221 11240 1 12 . 1 1 27 27 LEU H H 27 8.766 8.766 8.544 0.221 19221 11241 1 12 . 1 1 28 28 ALA N N 28 119.510 119.510 120.405 -0.895 19221 11242 1 12 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.058 0.205 19221 11243 1 12 . 1 1 28 28 ALA C C 28 178.218 178.218 179.901 -1.683 19221 11244 1 12 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.990 0.330 19221 11245 1 12 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.082 0.038 19221 11246 1 12 . 1 1 28 28 ALA H H 28 8.546 8.546 8.371 0.175 19221 11247 1 12 . 1 1 29 29 GLU N N 29 118.210 118.210 118.152 0.058 19221 11248 1 12 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.120 -0.039 19221 11249 1 12 . 1 1 29 29 GLU C C 29 179.929 179.929 179.414 0.515 19221 11250 1 12 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.157 0.143 19221 11251 1 12 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.512 0.564 19221 11252 1 12 . 1 1 29 29 GLU H H 29 7.719 7.719 7.798 -0.079 19221 11253 1 12 . 1 1 30 30 ARG N N 30 121.350 121.350 120.323 1.027 19221 11254 1 12 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.011 -0.052 19221 11255 1 12 . 1 1 30 30 ARG C C 30 177.538 177.538 178.943 -1.405 19221 11256 1 12 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.794 0.851 19221 11257 1 12 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.076 0.924 19221 11258 1 12 . 1 1 30 30 ARG H H 30 8.410 8.410 8.556 -0.146 19221 11259 1 12 . 1 1 31 31 GLN N N 31 117.670 117.670 118.970 -1.300 19221 11260 1 12 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.092 -0.140 19221 11261 1 12 . 1 1 31 31 GLN C C 31 178.220 178.220 178.978 -0.758 19221 11262 1 12 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.334 -0.379 19221 11263 1 12 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.659 -0.029 19221 11264 1 12 . 1 1 31 31 GLN H H 31 8.742 8.742 8.616 0.126 19221 11265 1 12 . 1 1 32 32 GLN N N 32 117.910 117.910 118.379 -0.469 19221 11266 1 12 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.261 -0.274 19221 11267 1 12 . 1 1 32 32 GLN C C 32 177.712 177.712 178.731 -1.019 19221 11268 1 12 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.197 0.133 19221 11269 1 12 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.477 -0.157 19221 11270 1 12 . 1 1 32 32 GLN H H 32 7.732 7.732 7.736 -0.004 19221 11271 1 12 . 1 1 33 33 LEU N N 33 119.680 119.680 122.183 -2.503 19221 11272 1 12 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.068 0.336 19221 11273 1 12 . 1 1 33 33 LEU C C 33 178.876 178.876 177.807 1.069 19221 11274 1 12 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.666 0.383 19221 11275 1 12 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.462 0.338 19221 11276 1 12 . 1 1 33 33 LEU H H 33 7.846 7.846 8.527 -0.681 19221 11277 1 12 . 1 1 34 34 ALA N N 34 121.660 121.660 121.934 -0.274 19221 11278 1 12 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.961 -0.220 19221 11279 1 12 . 1 1 34 34 ALA C C 34 180.025 180.025 179.097 0.928 19221 11280 1 12 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.452 0.218 19221 11281 1 12 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.165 0.775 19221 11282 1 12 . 1 1 34 34 ALA H H 34 8.308 8.308 8.622 -0.314 19221 11283 1 12 . 1 1 35 35 TYR N N 35 120.860 120.860 119.590 1.270 19221 11284 1 12 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.720 0.038 19221 11285 1 12 . 1 1 35 35 TYR C C 35 176.384 176.384 177.150 -0.766 19221 11286 1 12 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.429 0.591 19221 11287 1 12 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.191 0.270 19221 11288 1 12 . 1 1 35 35 TYR H H 35 8.457 8.457 8.333 0.124 19221 11289 1 12 . 1 1 36 36 ASP N N 36 120.570 120.570 119.441 1.129 19221 11290 1 12 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.112 0.123 19221 11291 1 12 . 1 1 36 36 ASP C C 36 180.544 180.544 178.593 1.951 19221 11292 1 12 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.332 0.608 19221 11293 1 12 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.848 -0.378 19221 11294 1 12 . 1 1 36 36 ASP H H 36 9.072 9.072 8.433 0.639 19221 11295 1 12 . 1 1 37 37 LEU N N 37 123.000 123.000 121.508 1.492 19221 11296 1 12 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.061 0.085 19221 11297 1 12 . 1 1 37 37 LEU C C 37 178.743 178.743 178.324 0.419 19221 11298 1 12 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.691 -0.077 19221 11299 1 12 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.958 0.852 19221 11300 1 12 . 1 1 37 37 LEU H H 37 9.068 9.068 8.488 0.580 19221 11301 1 12 . 1 1 38 38 SER N N 38 116.650 116.650 115.035 1.615 19221 11302 1 12 . 1 1 38 38 SER HA H 38 3.680 3.680 4.143 -0.463 19221 11303 1 12 . 1 1 38 38 SER C C 38 174.113 174.113 176.674 -2.561 19221 11304 1 12 . 1 1 38 38 SER CA C 38 59.430 59.430 62.648 -3.218 19221 11305 1 12 . 1 1 38 38 SER CB C 38 63.559 63.559 62.808 0.751 19221 11306 1 12 . 1 1 38 38 SER H H 38 7.824 7.824 7.788 0.036 19221 11307 1 12 . 1 1 39 39 ILE N N 39 121.198 121.198 121.907 -0.709 19221 11308 1 12 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.599 -0.194 19221 11309 1 12 . 1 1 39 39 ILE C C 39 176.113 176.113 177.846 -1.733 19221 11310 1 12 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.677 -1.317 19221 11311 1 12 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.703 -1.355 19221 11312 1 12 . 1 1 39 39 ILE H H 39 8.313 8.313 8.306 0.007 19221 11313 1 12 . 1 1 40 40 SER N N 40 115.537 115.537 115.651 -0.114 19221 11314 1 12 . 1 1 40 40 SER HA H 40 4.534 4.534 4.161 0.373 19221 11315 1 12 . 1 1 40 40 SER C C 40 174.881 174.881 175.935 -1.054 19221 11316 1 12 . 1 1 40 40 SER CA C 40 62.520 62.520 61.923 0.597 19221 11317 1 12 . 1 1 40 40 SER CB C 40 62.670 62.670 62.904 -0.234 19221 11318 1 12 . 1 1 40 40 SER H H 40 7.961 7.961 8.363 -0.402 19221 11319 1 12 . 1 1 41 41 ALA N N 41 123.360 123.360 124.136 -0.776 19221 11320 1 12 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.644 -0.052 19221 11321 1 12 . 1 1 41 41 ALA C C 41 178.822 178.822 179.854 -1.032 19221 11322 1 12 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.453 -0.331 19221 11323 1 12 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.331 0.059 19221 11324 1 12 . 1 1 41 41 ALA H H 41 7.878 7.878 7.801 0.077 19221 11325 1 12 . 1 1 42 42 LEU N N 42 115.790 115.790 119.347 -3.557 19221 11326 1 12 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.177 -0.601 19221 11327 1 12 . 1 1 42 42 LEU C C 42 179.683 179.683 178.576 1.107 19221 11328 1 12 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.591 1.140 19221 11329 1 12 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.304 -0.094 19221 11330 1 12 . 1 1 42 42 LEU H H 42 7.737 7.737 8.143 -0.406 19221 11331 1 12 . 1 1 43 43 LEU N N 43 113.670 113.670 114.289 -0.619 19221 11332 1 12 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.085 -0.078 19221 11333 1 12 . 1 1 43 43 LEU C C 43 177.279 177.279 177.044 0.235 19221 11334 1 12 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.186 0.744 19221 11335 1 12 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.192 -0.372 19221 11336 1 12 . 1 1 43 43 LEU H H 43 7.798 7.798 7.769 0.029 19221 11337 1 12 . 1 1 44 44 GLY N N 44 108.270 108.270 108.109 0.161 19221 11338 1 12 . 1 1 44 44 GLY C C 44 177.020 177.020 174.405 2.615 19221 11339 1 12 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.708 2.182 19221 11340 1 12 . 1 1 44 44 GLY H H 44 7.984 7.984 7.497 0.487 19221 11341 1 12 . 1 1 45 45 ASP N N 45 128.400 128.400 126.391 2.009 19221 11342 1 12 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.309 0.250 19221 11343 1 12 . 1 1 45 45 ASP C C 45 177.183 177.183 176.740 0.443 19221 11344 1 12 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.457 -1.007 19221 11345 1 12 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.086 -1.296 19221 11346 1 12 . 1 1 45 45 ASP H H 45 9.073 9.073 8.220 0.853 19221 11347 1 12 . 1 1 46 46 LYS N N 46 117.230 117.230 115.676 1.554 19221 11348 1 12 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.738 0.207 19221 11349 1 12 . 1 1 46 46 LYS C C 46 176.544 176.544 176.870 -0.326 19221 11350 1 12 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.422 0.188 19221 11351 1 12 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.905 1.055 19221 11352 1 12 . 1 1 46 46 LYS H H 46 8.987 8.987 8.167 0.820 19221 11353 1 12 . 1 1 47 47 ILE N N 47 121.540 121.540 123.129 -1.589 19221 11354 1 12 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.749 0.348 19221 11355 1 12 . 1 1 47 47 ILE C C 47 174.082 174.082 174.672 -0.590 19221 11356 1 12 . 1 1 47 47 ILE CA C 47 61.080 61.080 62.241 -1.161 19221 11357 1 12 . 1 1 47 47 ILE CB C 47 37.008 37.008 38.175 -1.167 19221 11358 1 12 . 1 1 47 47 ILE H H 47 6.840 6.840 7.732 -0.892 19221 11359 1 12 . 1 1 48 48 TYR N N 48 123.820 123.820 121.445 2.375 19221 11360 1 12 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.733 -0.424 19221 11361 1 12 . 1 1 48 48 TYR C C 48 173.249 173.249 175.355 -2.106 19221 11362 1 12 . 1 1 48 48 TYR CA C 48 57.350 57.350 59.006 -1.656 19221 11363 1 12 . 1 1 48 48 TYR CB C 48 39.230 39.230 41.042 -1.812 19221 11364 1 12 . 1 1 48 48 TYR H H 48 8.511 8.511 8.394 0.117 19221 11365 1 12 . 1 1 49 49 ASN N N 49 116.100 116.100 118.783 -2.683 19221 11366 1 12 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.555 -0.104 19221 11367 1 12 . 1 1 49 49 ASN C C 49 175.429 175.429 176.713 -1.284 19221 11368 1 12 . 1 1 49 49 ASN CA C 49 53.077 53.077 54.799 -1.722 19221 11369 1 12 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.693 1.223 19221 11370 1 12 . 1 1 49 49 ASN H H 49 6.906 6.906 8.075 -1.169 19221 11371 1 12 . 1 1 50 50 PHE N N 50 124.360 124.360 115.197 9.163 19221 11372 1 12 . 1 1 50 50 PHE HA H 50 5.011 5.011 3.991 1.020 19221 11373 1 12 . 1 1 50 50 PHE C C 50 176.190 176.190 177.070 -0.880 19221 11374 1 12 . 1 1 50 50 PHE CA C 50 55.863 55.863 60.792 -4.929 19221 11375 1 12 . 1 1 50 50 PHE CB C 50 38.482 38.482 37.009 1.473 19221 11376 1 12 . 1 1 50 50 PHE H H 50 8.980 8.980 8.048 0.932 19221 11377 1 12 . 1 1 51 51 GLY N N 51 109.740 109.740 105.904 3.836 19221 11378 1 12 . 1 1 51 51 GLY C C 51 175.758 175.758 175.529 0.229 19221 11379 1 12 . 1 1 51 51 GLY CA C 51 48.300 48.300 46.796 1.504 19221 11380 1 12 . 1 1 51 51 GLY H H 51 8.658 8.658 8.435 0.223 19221 11381 1 12 . 1 1 52 52 GLU N N 52 120.700 120.700 123.182 -2.482 19221 11382 1 12 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.211 -0.129 19221 11383 1 12 . 1 1 52 52 GLU C C 52 178.240 178.240 179.166 -0.926 19221 11384 1 12 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.213 -0.003 19221 11385 1 12 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.827 -0.088 19221 11386 1 12 . 1 1 52 52 GLU H H 52 8.321 8.321 8.586 -0.265 19221 11387 1 12 . 1 1 53 53 LEU N N 53 119.400 119.400 122.402 -3.002 19221 11388 1 12 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.132 0.026 19221 11389 1 12 . 1 1 53 53 LEU C C 53 178.344 178.344 178.771 -0.427 19221 11390 1 12 . 1 1 53 53 LEU CA C 53 57.790 57.790 58.093 -0.303 19221 11391 1 12 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.958 0.882 19221 11392 1 12 . 1 1 53 53 LEU H H 53 7.694 7.694 7.909 -0.215 19221 11393 1 12 . 1 1 54 54 LEU N N 54 114.230 114.230 117.781 -3.551 19221 11394 1 12 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.265 -0.342 19221 11395 1 12 . 1 1 54 54 LEU C C 54 178.643 178.643 177.023 1.620 19221 11396 1 12 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.316 1.414 19221 11397 1 12 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.823 0.027 19221 11398 1 12 . 1 1 54 54 LEU H H 54 8.369 8.369 8.235 0.134 19221 11399 1 12 . 1 1 55 55 HIS N N 55 113.420 113.420 113.598 -0.178 19221 11400 1 12 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.896 -0.189 19221 11401 1 12 . 1 1 55 55 HIS C C 55 173.981 173.981 174.507 -0.526 19221 11402 1 12 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.494 0.026 19221 11403 1 12 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.075 -1.795 19221 11404 1 12 . 1 1 55 55 HIS H H 55 7.569 7.569 7.531 0.038 19221 11405 1 12 . 1 1 56 56 HIS N N 56 126.050 126.050 123.278 2.772 19221 11406 1 12 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.680 -0.199 19221 11407 1 12 . 1 1 56 56 HIS C C 56 176.705 176.705 175.316 1.389 19221 11408 1 12 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.484 1.866 19221 11409 1 12 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.686 0.034 19221 11410 1 12 . 1 1 56 56 HIS H H 56 8.068 8.068 8.062 0.006 19221 11411 1 12 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.290 0.087 19221 11412 1 12 . 1 1 57 57 PRO C C 57 179.790 179.790 178.592 1.198 19221 11413 1 12 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.851 0.589 19221 11414 1 12 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.848 0.582 19221 11415 1 12 . 1 1 58 58 ILE N N 58 124.900 124.900 120.805 4.095 19221 11416 1 12 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.823 0.447 19221 11417 1 12 . 1 1 58 58 ILE C C 58 177.782 177.782 176.988 0.794 19221 11418 1 12 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.604 -1.074 19221 11419 1 12 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.612 0.658 19221 11420 1 12 . 1 1 58 58 ILE H H 58 11.871 11.871 7.483 4.388 19221 11421 1 12 . 1 1 59 59 MET N N 59 120.230 120.230 117.502 2.728 19221 11422 1 12 . 1 1 59 59 MET HA H 59 4.431 4.431 4.143 0.288 19221 11423 1 12 . 1 1 59 59 MET C C 59 178.757 178.757 178.054 0.703 19221 11424 1 12 . 1 1 59 59 MET CA C 59 55.720 55.720 59.020 -3.300 19221 11425 1 12 . 1 1 59 59 MET CB C 59 30.980 30.980 31.883 -0.903 19221 11426 1 12 . 1 1 59 59 MET H H 59 8.152 8.152 8.220 -0.068 19221 11427 1 12 . 1 1 60 60 GLU N N 60 119.080 119.080 119.125 -0.045 19221 11428 1 12 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.980 0.028 19221 11429 1 12 . 1 1 60 60 GLU C C 60 178.242 178.242 178.838 -0.596 19221 11430 1 12 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.134 -0.614 19221 11431 1 12 . 1 1 60 60 GLU CB C 60 29.547 29.547 29.340 0.207 19221 11432 1 12 . 1 1 60 60 GLU H H 60 7.889 7.889 7.994 -0.105 19221 11433 1 12 . 1 1 61 61 THR N N 61 106.740 106.740 110.952 -4.212 19221 11434 1 12 . 1 1 61 61 THR HA H 61 4.120 4.120 4.139 -0.019 19221 11435 1 12 . 1 1 61 61 THR C C 61 176.056 176.056 175.968 0.088 19221 11436 1 12 . 1 1 61 61 THR CA C 61 64.520 64.520 64.965 -0.445 19221 11437 1 12 . 1 1 61 61 THR CB C 61 69.420 69.420 69.032 0.388 19221 11438 1 12 . 1 1 61 61 THR H H 61 7.558 7.558 7.831 -0.273 19221 11439 1 12 . 1 1 62 62 ILE N N 62 113.140 113.140 112.930 0.210 19221 11440 1 12 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.640 -0.053 19221 11441 1 12 . 1 1 62 62 ILE C C 62 176.843 176.843 177.224 -0.381 19221 11442 1 12 . 1 1 62 62 ILE CA C 62 61.790 61.790 62.076 -0.286 19221 11443 1 12 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.449 -0.079 19221 11444 1 12 . 1 1 62 62 ILE H H 62 7.235 7.235 7.538 -0.303 19221 11445 1 12 . 1 1 63 63 VAL N N 63 122.110 122.110 120.145 1.965 19221 11446 1 12 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.484 -0.138 19221 11447 1 12 . 1 1 63 63 VAL C C 63 175.165 175.165 177.346 -2.181 19221 11448 1 12 . 1 1 63 63 VAL CA C 63 64.440 64.440 66.073 -1.633 19221 11449 1 12 . 1 1 63 63 VAL CB C 63 31.199 31.199 30.518 0.680 19221 11450 1 12 . 1 1 63 63 VAL H H 63 7.436 7.436 8.126 -0.690 19221 11451 1 12 . 1 1 64 64 ASN N N 64 116.810 116.810 118.467 -1.657 19221 11452 1 12 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.456 0.325 19221 11453 1 12 . 1 1 64 64 ASN C C 64 174.101 174.101 176.314 -2.213 19221 11454 1 12 . 1 1 64 64 ASN CA C 64 52.900 52.900 55.518 -2.618 19221 11455 1 12 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.571 0.208 19221 11456 1 12 . 1 1 64 64 ASN H H 64 8.352 8.352 7.564 0.788 19221 11457 1 12 . 1 1 65 65 ASP N N 65 120.930 120.930 118.103 2.827 19221 11458 1 12 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.575 0.305 19221 11459 1 12 . 1 1 65 65 ASP C C 65 177.534 177.534 175.914 1.620 19221 11460 1 12 . 1 1 65 65 ASP CA C 65 53.170 53.170 54.279 -1.109 19221 11461 1 12 . 1 1 65 65 ASP CB C 65 43.100 43.100 41.070 2.030 19221 11462 1 12 . 1 1 65 65 ASP H H 65 7.453 7.453 8.114 -0.661 19221 11463 1 12 . 1 1 66 66 SER HA H 66 4.356 4.356 3.925 0.431 19221 11464 1 12 . 1 1 66 66 SER C C 66 176.310 176.310 175.176 1.134 19221 11465 1 12 . 1 1 66 66 SER CA C 66 61.350 61.350 59.397 1.954 19221 11466 1 12 . 1 1 66 66 SER CB C 66 63.120 63.120 61.728 1.392 19221 11467 1 12 . 1 1 66 66 SER H H 66 7.010 7.010 7.866 -0.856 19221 11468 1 12 . 1 1 67 67 ASN N N 67 120.050 120.050 119.257 0.793 19221 11469 1 12 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.391 0.214 19221 11470 1 12 . 1 1 67 67 ASN C C 67 176.107 176.107 175.011 1.096 19221 11471 1 12 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.404 0.166 19221 11472 1 12 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.382 0.218 19221 11473 1 12 . 1 1 67 67 ASN H H 67 9.014 9.014 8.579 0.435 19221 11474 1 12 . 1 1 68 68 TYR N N 68 114.840 114.840 113.960 0.880 19221 11475 1 12 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.182 0.337 19221 11476 1 12 . 1 1 68 68 TYR C C 68 175.709 175.709 175.408 0.301 19221 11477 1 12 . 1 1 68 68 TYR CA C 68 57.610 57.610 55.699 1.911 19221 11478 1 12 . 1 1 68 68 TYR CB C 68 39.750 39.750 37.777 1.973 19221 11479 1 12 . 1 1 68 68 TYR H H 68 8.276 8.276 7.475 0.801 19221 11480 1 12 . 1 1 69 69 ASP N N 69 122.810 122.810 122.752 0.058 19221 11481 1 12 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.371 0.081 19221 11482 1 12 . 1 1 69 69 ASP C C 69 178.371 178.371 177.640 0.731 19221 11483 1 12 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.539 0.091 19221 11484 1 12 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.955 -0.325 19221 11485 1 12 . 1 1 69 69 ASP H H 69 7.806 7.806 8.060 -0.254 19221 11486 1 12 . 1 1 70 70 TRP N N 70 117.270 117.270 119.115 -1.845 19221 11487 1 12 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.493 -0.329 19221 11488 1 12 . 1 1 70 70 TRP C C 70 176.090 176.090 177.830 -1.740 19221 11489 1 12 . 1 1 70 70 TRP CA C 70 58.530 58.530 58.977 -0.447 19221 11490 1 12 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.565 -1.015 19221 11491 1 12 . 1 1 70 70 TRP H H 70 8.172 8.172 7.850 0.322 19221 11492 1 12 . 1 1 71 71 LEU N N 71 125.263 125.263 122.363 2.900 19221 11493 1 12 . 1 1 71 71 LEU HA H 71 3.240 3.240 4.026 -0.786 19221 11494 1 12 . 1 1 71 71 LEU C C 71 178.306 178.306 178.122 0.184 19221 11495 1 12 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.262 0.348 19221 11496 1 12 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.456 0.734 19221 11497 1 12 . 1 1 71 71 LEU H H 71 6.251 6.251 6.948 -0.697 19221 11498 1 12 . 1 1 72 72 PHE N N 72 117.630 117.630 119.742 -2.112 19221 11499 1 12 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.989 -0.176 19221 11500 1 12 . 1 1 72 72 PHE C C 72 178.797 178.797 177.302 1.495 19221 11501 1 12 . 1 1 72 72 PHE CA C 72 62.571 62.571 62.060 0.511 19221 11502 1 12 . 1 1 72 72 PHE CB C 72 38.810 38.810 39.045 -0.235 19221 11503 1 12 . 1 1 72 72 PHE H H 72 6.996 6.996 8.710 -1.714 19221 11504 1 12 . 1 1 73 73 GLN N N 73 117.950 117.950 118.149 -0.199 19221 11505 1 12 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.871 0.195 19221 11506 1 12 . 1 1 73 73 GLN C C 73 179.341 179.341 178.224 1.117 19221 11507 1 12 . 1 1 73 73 GLN CA C 73 59.090 59.090 59.175 -0.085 19221 11508 1 12 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.831 -0.581 19221 11509 1 12 . 1 1 73 73 GLN H H 73 8.415 8.415 8.428 -0.013 19221 11510 1 12 . 1 1 74 74 LEU N N 74 122.275 122.275 122.574 -0.299 19221 11511 1 12 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.088 -0.018 19221 11512 1 12 . 1 1 74 74 LEU C C 74 177.889 177.889 178.358 -0.469 19221 11513 1 12 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.704 0.866 19221 11514 1 12 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.747 0.433 19221 11515 1 12 . 1 1 74 74 LEU H H 74 8.365 8.365 8.096 0.269 19221 11516 1 12 . 1 1 75 75 LEU N N 75 118.123 118.123 119.411 -1.288 19221 11517 1 12 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.636 0.091 19221 11518 1 12 . 1 1 75 75 LEU C C 75 180.172 180.172 178.868 1.304 19221 11519 1 12 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.510 -0.057 19221 11520 1 12 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.147 1.193 19221 11521 1 12 . 1 1 75 75 LEU H H 75 8.210 8.210 8.700 -0.490 19221 11522 1 12 . 1 1 76 76 ASN N N 76 117.960 117.960 117.837 0.123 19221 11523 1 12 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.181 0.194 19221 11524 1 12 . 1 1 76 76 ASN C C 76 176.582 176.582 177.125 -0.543 19221 11525 1 12 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.173 0.787 19221 11526 1 12 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.883 1.067 19221 11527 1 12 . 1 1 76 76 ASN H H 76 8.363 8.363 8.242 0.121 19221 11528 1 12 . 1 1 77 77 ALA N N 77 121.740 121.740 122.213 -0.473 19221 11529 1 12 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.041 0.126 19221 11530 1 12 . 1 1 77 77 ALA C C 77 179.988 179.988 179.883 0.105 19221 11531 1 12 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.963 0.597 19221 11532 1 12 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.344 -1.014 19221 11533 1 12 . 1 1 77 77 ALA H H 77 8.385 8.385 8.205 0.180 19221 11534 1 12 . 1 1 78 78 LEU N N 78 116.550 116.550 118.064 -1.514 19221 11535 1 12 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.863 -0.210 19221 11536 1 12 . 1 1 78 78 LEU C C 78 177.576 177.576 178.940 -1.364 19221 11537 1 12 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.968 1.016 19221 11538 1 12 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.752 0.258 19221 11539 1 12 . 1 1 78 78 LEU H H 78 7.965 7.965 8.361 -0.396 19221 11540 1 12 . 1 1 79 79 THR N N 79 113.220 113.220 112.270 0.950 19221 11541 1 12 . 1 1 79 79 THR HA H 79 3.807 3.807 4.070 -0.263 19221 11542 1 12 . 1 1 79 79 THR C C 79 176.163 176.163 176.040 0.123 19221 11543 1 12 . 1 1 79 79 THR CA C 79 66.980 66.980 66.024 0.956 19221 11544 1 12 . 1 1 79 79 THR CB C 79 69.240 69.240 69.444 -0.204 19221 11545 1 12 . 1 1 79 79 THR H H 79 7.565 7.565 7.813 -0.248 19221 11546 1 12 . 1 1 80 80 VAL N N 80 110.800 110.800 112.278 -1.478 19221 11547 1 12 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.360 0.149 19221 11548 1 12 . 1 1 80 80 VAL C C 80 176.751 176.751 176.290 0.461 19221 11549 1 12 . 1 1 80 80 VAL CA C 80 60.890 60.890 61.859 -0.969 19221 11550 1 12 . 1 1 80 80 VAL CB C 80 32.005 32.005 32.095 -0.090 19221 11551 1 12 . 1 1 80 80 VAL H H 80 7.792 7.792 7.748 0.044 19221 11552 1 12 . 1 1 81 81 GLY N N 81 112.910 112.910 109.458 3.452 19221 11553 1 12 . 1 1 81 81 GLY C C 81 173.874 173.874 174.296 -0.422 19221 11554 1 12 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.844 1.436 19221 11555 1 12 . 1 1 81 81 GLY H H 81 7.506 7.506 7.290 0.216 19221 11556 1 12 . 1 1 82 82 ASP N N 82 119.112 119.112 120.861 -1.749 19221 11557 1 12 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.642 0.198 19221 11558 1 12 . 1 1 82 82 ASP C C 82 175.706 175.706 176.178 -0.472 19221 11559 1 12 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.750 0.170 19221 11560 1 12 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.906 0.044 19221 11561 1 12 . 1 1 82 82 ASP H H 82 8.254 8.254 8.084 0.170 19221 11562 1 12 . 1 1 83 83 PHE N N 83 123.870 123.870 123.220 0.650 19221 11563 1 12 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.216 -0.388 19221 11564 1 12 . 1 1 83 83 PHE C C 83 177.950 177.950 177.011 0.939 19221 11565 1 12 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.488 2.082 19221 11566 1 12 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.331 0.789 19221 11567 1 12 . 1 1 83 83 PHE H H 83 8.025 8.025 7.771 0.254 19221 11568 1 12 . 1 1 84 84 ASP N N 84 119.583 119.583 121.009 -1.426 19221 11569 1 12 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.490 0.032 19221 11570 1 12 . 1 1 84 84 ASP C C 84 179.005 179.005 178.622 0.383 19221 11571 1 12 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.531 0.129 19221 11572 1 12 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.835 -0.275 19221 11573 1 12 . 1 1 84 84 ASP H H 84 8.464 8.464 7.720 0.744 19221 11574 1 12 . 1 1 85 85 LYS N N 85 122.200 122.200 119.537 2.663 19221 11575 1 12 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.126 -0.034 19221 11576 1 12 . 1 1 85 85 LYS C C 85 178.580 178.580 179.078 -0.498 19221 11577 1 12 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.238 0.012 19221 11578 1 12 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.109 0.201 19221 11579 1 12 . 1 1 85 85 LYS H H 85 8.009 8.009 8.311 -0.302 19221 11580 1 12 . 1 1 86 86 PHE N N 86 118.590 118.590 121.681 -3.091 19221 11581 1 12 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.122 -0.286 19221 11582 1 12 . 1 1 86 86 PHE C C 86 175.649 175.649 176.605 -0.956 19221 11583 1 12 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.472 0.938 19221 11584 1 12 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.993 1.087 19221 11585 1 12 . 1 1 86 86 PHE H H 86 8.331 8.331 8.755 -0.424 19221 11586 1 12 . 1 1 87 87 ASP N N 87 117.790 117.790 119.407 -1.617 19221 11587 1 12 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.156 0.042 19221 11588 1 12 . 1 1 87 87 ASP C C 87 178.542 178.542 178.525 0.017 19221 11589 1 12 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.698 0.142 19221 11590 1 12 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.631 1.259 19221 11591 1 12 . 1 1 87 87 ASP H H 87 8.560 8.560 8.752 -0.192 19221 11592 1 12 . 1 1 88 88 SER N N 88 112.940 112.940 114.652 -1.712 19221 11593 1 12 . 1 1 88 88 SER HA H 88 4.153 4.153 4.276 -0.123 19221 11594 1 12 . 1 1 88 88 SER C C 88 176.823 176.823 175.760 1.063 19221 11595 1 12 . 1 1 88 88 SER CA C 88 61.590 61.590 61.594 -0.004 19221 11596 1 12 . 1 1 88 88 SER CB C 88 63.085 63.085 63.264 -0.179 19221 11597 1 12 . 1 1 88 88 SER H H 88 7.757 7.757 8.050 -0.293 19221 11598 1 12 . 1 1 89 89 LEU N N 89 121.710 121.710 119.852 1.858 19221 11599 1 12 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.214 -0.046 19221 11600 1 12 . 1 1 89 89 LEU C C 89 180.006 180.006 178.075 1.931 19221 11601 1 12 . 1 1 89 89 LEU CA C 89 57.830 57.830 56.517 1.313 19221 11602 1 12 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.128 1.252 19221 11603 1 12 . 1 1 89 89 LEU H H 89 8.173 8.173 7.322 0.851 19221 11604 1 12 . 1 1 90 90 ILE N N 90 119.830 119.830 120.780 -0.950 19221 11605 1 12 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.402 0.143 19221 11606 1 12 . 1 1 90 90 ILE C C 90 177.083 177.083 178.546 -1.463 19221 11607 1 12 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.817 -1.907 19221 11608 1 12 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.482 -0.402 19221 11609 1 12 . 1 1 90 90 ILE H H 90 8.424 8.424 8.414 0.010 19221 11610 1 12 . 1 1 91 91 LYS N N 91 117.980 117.980 118.113 -0.133 19221 11611 1 12 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.991 -0.090 19221 11612 1 12 . 1 1 91 91 LYS C C 91 178.803 178.803 177.336 1.467 19221 11613 1 12 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.117 0.393 19221 11614 1 12 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.478 0.282 19221 11615 1 12 . 1 1 91 91 LYS H H 91 7.569 7.569 8.140 -0.571 19221 11616 1 12 . 1 1 92 92 VAL N N 92 115.450 115.450 118.041 -2.591 19221 11617 1 12 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.057 -0.129 19221 11618 1 12 . 1 1 92 92 VAL C C 92 177.767 177.767 177.305 0.462 19221 11619 1 12 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.817 -0.267 19221 11620 1 12 . 1 1 92 92 VAL CB C 92 32.790 32.790 33.327 -0.537 19221 11621 1 12 . 1 1 92 92 VAL H H 92 7.432 7.432 7.530 -0.098 19221 11622 1 12 . 1 1 93 93 GLN N N 93 117.250 117.250 119.479 -2.229 19221 11623 1 12 . 1 1 93 93 GLN HA H 93 3.997 3.997 4.018 -0.021 19221 11624 1 12 . 1 1 93 93 GLN C C 93 178.756 178.756 178.853 -0.097 19221 11625 1 12 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.772 -0.211 19221 11626 1 12 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.503 0.167 19221 11627 1 12 . 1 1 93 93 GLN H H 93 8.127 8.127 8.475 -0.348 19221 11628 1 12 . 1 1 94 94 ILE N N 94 118.013 118.013 119.934 -1.921 19221 11629 1 12 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.707 -0.067 19221 11630 1 12 . 1 1 94 94 ILE C C 94 176.252 176.252 178.631 -2.379 19221 11631 1 12 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.832 1.148 19221 11632 1 12 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.777 0.353 19221 11633 1 12 . 1 1 94 94 ILE H H 94 8.390 8.390 7.753 0.637 19221 11634 1 12 . 1 1 95 95 SER N N 95 112.220 112.220 116.178 -3.958 19221 11635 1 12 . 1 1 95 95 SER HA H 95 4.158 4.158 4.137 0.021 19221 11636 1 12 . 1 1 95 95 SER C C 95 174.893 174.893 175.886 -0.993 19221 11637 1 12 . 1 1 95 95 SER CA C 95 59.890 59.890 61.314 -1.424 19221 11638 1 12 . 1 1 95 95 SER CB C 95 63.170 63.170 62.910 0.259 19221 11639 1 12 . 1 1 95 95 SER H H 95 7.227 7.227 8.219 -0.992 19221 11640 1 12 . 1 1 96 96 LYS N N 96 119.000 119.000 118.236 0.764 19221 11641 1 12 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.197 0.128 19221 11642 1 12 . 1 1 96 96 LYS C C 96 175.903 175.903 176.150 -0.247 19221 11643 1 12 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.980 -0.380 19221 11644 1 12 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.187 0.753 19221 11645 1 12 . 1 1 96 96 LYS H H 96 7.250 7.250 7.530 -0.280 19221 11646 1 12 . 1 1 97 97 ILE N N 97 120.530 120.530 120.686 -0.156 19221 11647 1 12 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.566 0.033 19221 11648 1 12 . 1 1 97 97 ILE C C 97 173.784 173.784 174.154 -0.370 19221 11649 1 12 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.835 -0.423 19221 11650 1 12 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.031 -2.471 19221 11651 1 12 . 1 1 97 97 ILE H H 97 7.713 7.713 7.349 0.364 19221 11652 1 12 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.271 0.022 19221 11653 1 12 . 1 1 98 98 PRO C C 98 178.885 178.885 178.290 0.595 19221 11654 1 12 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.830 0.490 19221 11655 1 12 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.098 0.172 19221 11656 1 12 . 1 1 99 99 ILE N N 99 115.600 115.600 118.386 -2.786 19221 11657 1 12 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.841 0.451 19221 11658 1 12 . 1 1 99 99 ILE C C 99 177.025 177.025 177.506 -0.481 19221 11659 1 12 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.609 -0.829 19221 11660 1 12 . 1 1 99 99 ILE CB C 99 38.080 38.080 38.042 0.038 19221 11661 1 12 . 1 1 99 99 ILE H H 99 8.552 8.552 7.983 0.569 19221 11662 1 12 . 1 1 100 100 LEU N N 100 119.430 119.430 120.613 -1.183 19221 11663 1 12 . 1 1 100 100 LEU HA H 100 4.223 4.223 3.822 0.401 19221 11664 1 12 . 1 1 100 100 LEU C C 100 178.223 178.223 178.935 -0.712 19221 11665 1 12 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.981 -0.871 19221 11666 1 12 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.157 1.063 19221 11667 1 12 . 1 1 100 100 LEU H H 100 7.404 7.404 7.589 -0.185 19221 11668 1 12 . 1 1 101 101 ALA N N 101 121.390 121.390 121.112 0.278 19221 11669 1 12 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.861 0.056 19221 11670 1 12 . 1 1 101 101 ALA C C 101 181.827 181.827 180.116 1.711 19221 11671 1 12 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.876 0.534 19221 11672 1 12 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.084 -0.134 19221 11673 1 12 . 1 1 101 101 ALA H H 101 7.839 7.839 8.180 -0.341 19221 11674 1 12 . 1 1 102 102 GLN N N 102 115.470 115.470 116.305 -0.835 19221 11675 1 12 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.100 -0.023 19221 11676 1 12 . 1 1 102 102 GLN C C 102 176.572 176.572 176.850 -0.278 19221 11677 1 12 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.794 -0.214 19221 11678 1 12 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.244 -0.614 19221 11679 1 12 . 1 1 102 102 GLN H H 102 8.276 8.276 7.750 0.526 19221 11680 1 12 . 1 1 103 103 HIS N N 103 115.980 115.980 112.724 3.256 19221 11681 1 12 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.443 0.681 19221 11682 1 12 . 1 1 103 103 HIS C C 103 175.326 175.326 174.182 1.144 19221 11683 1 12 . 1 1 103 103 HIS CA C 103 56.350 56.350 53.842 2.508 19221 11684 1 12 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.424 1.565 19221 11685 1 12 . 1 1 103 103 HIS H H 103 7.450 7.450 7.719 -0.269 19221 11686 1 12 . 1 1 104 104 GLU N N 104 122.920 122.920 122.719 0.201 19221 11687 1 12 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.725 0.088 19221 11688 1 12 . 1 1 104 104 GLU C C 104 177.960 177.960 177.731 0.229 19221 11689 1 12 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.927 0.583 19221 11690 1 12 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.408 0.092 19221 11691 1 12 . 1 1 104 104 GLU H H 104 7.332 7.332 7.402 -0.070 19221 11692 1 12 . 1 1 105 105 SER N N 105 113.180 113.180 115.035 -1.855 19221 11693 1 12 . 1 1 105 105 SER HA H 105 4.234 4.234 4.309 -0.075 19221 11694 1 12 . 1 1 105 105 SER C C 105 177.512 177.512 176.876 0.636 19221 11695 1 12 . 1 1 105 105 SER CA C 105 62.100 62.100 61.122 0.978 19221 11696 1 12 . 1 1 105 105 SER CB C 105 62.100 62.100 62.858 -0.758 19221 11697 1 12 . 1 1 105 105 SER H H 105 8.931 8.931 8.618 0.313 19221 11698 1 12 . 1 1 106 106 PHE N N 106 123.770 123.770 121.517 2.253 19221 11699 1 12 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.398 0.029 19221 11700 1 12 . 1 1 106 106 PHE C C 106 178.007 178.007 177.805 0.202 19221 11701 1 12 . 1 1 106 106 PHE CA C 106 61.390 61.390 58.740 2.650 19221 11702 1 12 . 1 1 106 106 PHE CB C 106 39.130 39.130 38.029 1.101 19221 11703 1 12 . 1 1 106 106 PHE H H 106 8.040 8.040 7.280 0.760 19221 11704 1 12 . 1 1 107 107 LEU N N 107 121.397 121.397 120.099 1.298 19221 11705 1 12 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.949 0.058 19221 11706 1 12 . 1 1 107 107 LEU C C 107 178.165 178.165 179.098 -0.933 19221 11707 1 12 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.267 0.012 19221 11708 1 12 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.434 0.735 19221 11709 1 12 . 1 1 107 107 LEU H H 107 8.481 8.481 8.319 0.162 19221 11710 1 12 . 1 1 108 108 ARG N N 108 117.450 117.450 118.912 -1.462 19221 11711 1 12 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.047 0.092 19221 11712 1 12 . 1 1 108 108 ARG C C 108 178.343 178.343 178.227 0.116 19221 11713 1 12 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.883 -0.303 19221 11714 1 12 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.850 -0.680 19221 11715 1 12 . 1 1 108 108 ARG H H 108 8.480 8.480 8.656 -0.176 19221 11716 1 12 . 1 1 109 109 GLN N N 109 119.098 119.098 119.397 -0.299 19221 11717 1 12 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.097 -0.022 19221 11718 1 12 . 1 1 109 109 GLN CA C 109 59.295 59.295 58.800 0.495 19221 11719 1 12 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.703 0.805 19221 11720 1 12 . 1 1 109 109 GLN H H 109 7.886 7.886 8.291 -0.405 19221 11721 1 12 . 1 1 110 110 LYS N N 110 121.110 121.110 121.734 -0.624 19221 11722 1 12 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.107 -0.119 19221 11723 1 12 . 1 1 110 110 LYS C C 110 178.368 178.368 178.725 -0.357 19221 11724 1 12 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.673 2.877 19221 11725 1 12 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.808 -1.548 19221 11726 1 12 . 1 1 110 110 LYS H H 110 8.356 8.356 8.084 0.272 19221 11727 1 12 . 1 1 111 111 ILE N N 111 116.870 116.870 119.955 -3.085 19221 11728 1 12 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.658 0.240 19221 11729 1 12 . 1 1 111 111 ILE C C 111 178.036 178.036 177.008 1.028 19221 11730 1 12 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.422 0.679 19221 11731 1 12 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.512 -0.597 19221 11732 1 12 . 1 1 111 111 ILE H H 111 7.848 7.848 8.164 -0.316 19221 11733 1 12 . 1 1 112 112 CYS N N 112 123.990 123.990 118.687 5.303 19221 11734 1 12 . 1 1 112 112 CYS HA H 112 4.081 4.081 3.982 0.099 19221 11735 1 12 . 1 1 112 112 CYS C C 112 176.276 176.276 176.583 -0.307 19221 11736 1 12 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.276 1.124 19221 11737 1 12 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.223 0.147 19221 11738 1 12 . 1 1 112 112 CYS H H 112 7.473 7.473 7.494 -0.021 19221 11739 1 12 . 1 1 113 113 LEU N N 113 120.218 120.218 121.528 -1.310 19221 11740 1 12 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.762 0.081 19221 11741 1 12 . 1 1 113 113 LEU C C 113 178.584 178.584 179.049 -0.465 19221 11742 1 12 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.599 -0.079 19221 11743 1 12 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.596 0.954 19221 11744 1 12 . 1 1 113 113 LEU H H 113 8.443 8.443 8.554 -0.111 19221 11745 1 12 . 1 1 114 114 MET N N 114 116.910 116.910 117.937 -1.027 19221 11746 1 12 . 1 1 114 114 MET HA H 114 3.952 3.952 4.284 -0.332 19221 11747 1 12 . 1 1 114 114 MET C C 114 178.724 178.724 178.286 0.438 19221 11748 1 12 . 1 1 114 114 MET CA C 114 60.070 60.070 59.454 0.616 19221 11749 1 12 . 1 1 114 114 MET CB C 114 32.910 32.910 32.755 0.155 19221 11750 1 12 . 1 1 114 114 MET H H 114 8.840 8.840 8.833 0.007 19221 11751 1 12 . 1 1 115 115 THR N N 115 115.670 115.670 117.747 -2.077 19221 11752 1 12 . 1 1 115 115 THR HA H 115 4.083 4.083 3.962 0.121 19221 11753 1 12 . 1 1 115 115 THR C C 115 177.434 177.434 176.420 1.014 19221 11754 1 12 . 1 1 115 115 THR CA C 115 66.740 66.740 67.009 -0.269 19221 11755 1 12 . 1 1 115 115 THR CB C 115 68.630 68.630 68.706 -0.076 19221 11756 1 12 . 1 1 115 115 THR H H 115 8.095 8.095 8.171 -0.076 19221 11757 1 12 . 1 1 116 116 LEU N N 116 125.420 125.420 123.415 2.005 19221 11758 1 12 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.026 -0.171 19221 11759 1 12 . 1 1 116 116 LEU C C 116 176.903 176.903 177.995 -1.092 19221 11760 1 12 . 1 1 116 116 LEU CA C 116 58.936 58.936 57.826 1.110 19221 11761 1 12 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.260 0.416 19221 11762 1 12 . 1 1 116 116 LEU H H 116 8.164 8.164 7.657 0.507 19221 11763 1 12 . 1 1 117 117 ILE N N 117 114.740 114.740 119.678 -4.938 19221 11764 1 12 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.450 0.169 19221 11765 1 12 . 1 1 117 117 ILE C C 117 177.806 177.806 177.885 -0.079 19221 11766 1 12 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.979 -1.389 19221 11767 1 12 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.543 -1.183 19221 11768 1 12 . 1 1 117 117 ILE H H 117 8.032 8.032 8.264 -0.232 19221 11769 1 12 . 1 1 118 118 GLU N N 118 121.200 121.200 119.840 1.360 19221 11770 1 12 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.032 0.168 19221 11771 1 12 . 1 1 118 118 GLU C C 118 178.314 178.314 179.034 -0.720 19221 11772 1 12 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.249 -0.269 19221 11773 1 12 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.736 -0.356 19221 11774 1 12 . 1 1 118 118 GLU H H 118 8.176 8.176 8.642 -0.466 19221 11775 1 12 . 1 1 119 119 THR N N 119 114.460 114.460 116.696 -2.236 19221 11776 1 12 . 1 1 119 119 THR HA H 119 3.917 3.917 4.015 -0.098 19221 11777 1 12 . 1 1 119 119 THR C C 119 175.551 175.551 177.161 -1.610 19221 11778 1 12 . 1 1 119 119 THR CA C 119 67.470 67.470 66.965 0.505 19221 11779 1 12 . 1 1 119 119 THR CB C 119 69.110 69.110 68.601 0.509 19221 11780 1 12 . 1 1 119 119 THR H H 119 8.008 8.008 8.200 -0.192 19221 11781 1 12 . 1 1 120 120 VAL N N 120 118.050 118.050 121.003 -2.953 19221 11782 1 12 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.740 -0.120 19221 11783 1 12 . 1 1 120 120 VAL C C 120 178.213 178.213 178.050 0.163 19221 11784 1 12 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.363 -0.343 19221 11785 1 12 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.038 0.792 19221 11786 1 12 . 1 1 120 120 VAL H H 120 7.800 7.800 8.290 -0.490 19221 11787 1 12 . 1 1 121 121 PHE N N 121 118.360 118.360 121.512 -3.152 19221 11788 1 12 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.146 0.074 19221 11789 1 12 . 1 1 121 121 PHE C C 121 178.739 178.739 178.102 0.637 19221 11790 1 12 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.747 -0.207 19221 11791 1 12 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.166 0.964 19221 11792 1 12 . 1 1 121 121 PHE H H 121 8.370 8.370 8.290 0.080 19221 11793 1 12 . 1 1 122 122 VAL N N 122 118.710 118.710 115.730 2.980 19221 11794 1 12 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.579 0.046 19221 11795 1 12 . 1 1 122 122 VAL C C 122 178.247 178.247 177.246 1.001 19221 11796 1 12 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.474 0.376 19221 11797 1 12 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.698 0.183 19221 11798 1 12 . 1 1 122 122 VAL H H 122 8.959 8.959 8.850 0.109 19221 11799 1 12 . 1 1 123 123 LYS N N 123 115.960 115.960 117.799 -1.839 19221 11800 1 12 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.236 0.080 19221 11801 1 12 . 1 1 123 123 LYS C C 123 176.148 176.148 175.784 0.364 19221 11802 1 12 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.849 0.681 19221 11803 1 12 . 1 1 123 123 LYS CB C 123 32.030 32.030 31.988 0.042 19221 11804 1 12 . 1 1 123 123 LYS H H 123 7.688 7.688 7.705 -0.017 19221 11805 1 12 . 1 1 124 124 ASN N N 124 117.440 117.440 117.048 0.392 19221 11806 1 12 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.281 0.063 19221 11807 1 12 . 1 1 124 124 ASN C C 124 174.205 174.205 174.805 -0.600 19221 11808 1 12 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.788 0.132 19221 11809 1 12 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.266 -0.196 19221 11810 1 12 . 1 1 124 124 ASN H H 124 7.560 7.560 7.628 -0.068 19221 11811 1 12 . 1 1 125 125 ILE N N 125 116.780 116.780 117.740 -0.960 19221 11812 1 12 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.025 0.085 19221 11813 1 12 . 1 1 125 125 ILE C C 125 175.909 175.909 175.576 0.333 19221 11814 1 12 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.148 -0.578 19221 11815 1 12 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.414 1.556 19221 11816 1 12 . 1 1 125 125 ILE H H 125 7.658 7.658 8.113 -0.455 19221 11817 1 12 . 1 1 126 126 ARG N N 126 122.400 122.400 121.009 1.391 19221 11818 1 12 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.566 0.065 19221 11819 1 12 . 1 1 126 126 ARG C C 126 175.296 175.296 175.462 -0.166 19221 11820 1 12 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.879 -0.669 19221 11821 1 12 . 1 1 126 126 ARG CB C 126 31.217 31.217 32.066 -0.848 19221 11822 1 12 . 1 1 126 126 ARG H H 126 8.658 8.658 8.505 0.153 19221 11823 1 12 . 1 1 127 127 MET N N 127 119.870 119.870 117.628 2.242 19221 11824 1 12 . 1 1 127 127 MET HA H 127 5.412 5.412 5.311 0.101 19221 11825 1 12 . 1 1 127 127 MET C C 127 174.169 174.169 174.577 -0.408 19221 11826 1 12 . 1 1 127 127 MET CA C 127 55.130 55.130 54.423 0.707 19221 11827 1 12 . 1 1 127 127 MET CB C 127 35.300 35.300 35.888 -0.588 19221 11828 1 12 . 1 1 127 127 MET H H 127 7.487 7.487 7.659 -0.172 19221 11829 1 12 . 1 1 128 128 LEU N N 128 124.940 124.940 122.949 1.991 19221 11830 1 12 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.877 0.013 19221 11831 1 12 . 1 1 128 128 LEU C C 128 174.857 174.857 174.269 0.588 19221 11832 1 12 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.676 0.494 19221 11833 1 12 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.039 -0.949 19221 11834 1 12 . 1 1 128 128 LEU H H 128 8.961 8.961 8.641 0.320 19221 11835 1 12 . 1 1 129 129 SER N N 129 119.080 119.080 117.923 1.157 19221 11836 1 12 . 1 1 129 129 SER HA H 129 5.503 5.503 5.083 0.420 19221 11837 1 12 . 1 1 129 129 SER C C 129 176.225 176.225 175.786 0.439 19221 11838 1 12 . 1 1 129 129 SER CA C 129 56.630 56.630 57.411 -0.781 19221 11839 1 12 . 1 1 129 129 SER CB C 129 66.030 66.030 64.612 1.418 19221 11840 1 12 . 1 1 129 129 SER H H 129 9.512 9.512 8.270 1.242 19221 11841 1 12 . 1 1 130 130 PHE N N 130 120.530 120.530 123.217 -2.687 19221 11842 1 12 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.079 0.361 19221 11843 1 12 . 1 1 130 130 PHE C C 130 179.046 179.046 177.539 1.507 19221 11844 1 12 . 1 1 130 130 PHE CA C 130 58.730 58.730 60.137 -1.407 19221 11845 1 12 . 1 1 130 130 PHE CB C 130 36.520 36.520 37.951 -1.431 19221 11846 1 12 . 1 1 130 130 PHE H H 130 8.712 8.712 9.235 -0.523 19221 11847 1 12 . 1 1 131 131 GLU N N 131 121.180 121.180 117.662 3.518 19221 11848 1 12 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.915 0.110 19221 11849 1 12 . 1 1 131 131 GLU C C 131 178.039 178.039 178.129 -0.090 19221 11850 1 12 . 1 1 131 131 GLU CA C 131 59.870 59.870 59.606 0.264 19221 11851 1 12 . 1 1 131 131 GLU CB C 131 29.470 29.470 28.915 0.555 19221 11852 1 12 . 1 1 131 131 GLU H H 131 8.961 8.961 8.815 0.146 19221 11853 1 12 . 1 1 132 132 ASP N N 132 120.930 120.930 120.506 0.424 19221 11854 1 12 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.552 -0.155 19221 11855 1 12 . 1 1 132 132 ASP C C 132 180.369 180.369 178.506 1.863 19221 11856 1 12 . 1 1 132 132 ASP CA C 132 57.690 57.690 56.743 0.946 19221 11857 1 12 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.977 -0.237 19221 11858 1 12 . 1 1 132 132 ASP H H 132 8.369 8.369 7.670 0.699 19221 11859 1 12 . 1 1 133 133 ILE N N 133 120.360 120.360 120.149 0.211 19221 11860 1 12 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.615 -0.106 19221 11861 1 12 . 1 1 133 133 ILE C C 133 178.895 178.895 178.096 0.799 19221 11862 1 12 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.894 0.386 19221 11863 1 12 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.818 -0.288 19221 11864 1 12 . 1 1 133 133 ILE H H 133 8.062 8.062 8.380 -0.318 19221 11865 1 12 . 1 1 134 134 SER N N 134 120.050 120.050 116.605 3.445 19221 11866 1 12 . 1 1 134 134 SER HA H 134 4.074 4.074 4.276 -0.202 19221 11867 1 12 . 1 1 134 134 SER C C 134 176.934 176.934 176.270 0.664 19221 11868 1 12 . 1 1 134 134 SER CA C 134 61.240 61.240 61.378 -0.138 19221 11869 1 12 . 1 1 134 134 SER CB C 134 63.400 63.400 62.970 0.430 19221 11870 1 12 . 1 1 134 134 SER H H 134 8.823 8.823 8.426 0.397 19221 11871 1 12 . 1 1 135 135 LYS N N 135 119.060 119.060 120.867 -1.807 19221 11872 1 12 . 1 1 135 135 LYS HA H 135 3.930 3.930 4.012 -0.082 19221 11873 1 12 . 1 1 135 135 LYS C C 135 178.986 178.986 178.678 0.308 19221 11874 1 12 . 1 1 135 135 LYS CA C 135 59.270 59.270 59.015 0.255 19221 11875 1 12 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.518 -0.048 19221 11876 1 12 . 1 1 135 135 LYS H H 135 8.258 8.258 7.801 0.457 19221 11877 1 12 . 1 1 136 136 ALA N N 136 118.350 118.350 120.702 -2.352 19221 11878 1 12 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.183 0.019 19221 11879 1 12 . 1 1 136 136 ALA C C 136 178.653 178.653 179.013 -0.360 19221 11880 1 12 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.827 -0.346 19221 11881 1 12 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.091 -0.251 19221 11882 1 12 . 1 1 136 136 ALA H H 136 7.538 7.538 7.937 -0.399 19221 11883 1 12 . 1 1 137 137 THR N N 137 101.770 101.770 108.676 -6.906 19221 11884 1 12 . 1 1 137 137 THR HA H 137 4.274 4.274 4.155 0.119 19221 11885 1 12 . 1 1 137 137 THR C C 137 172.932 172.932 175.264 -2.332 19221 11886 1 12 . 1 1 137 137 THR CA C 137 61.990 61.990 62.723 -0.733 19221 11887 1 12 . 1 1 137 137 THR CB C 137 71.200 71.200 70.119 1.081 19221 11888 1 12 . 1 1 137 137 THR H H 137 7.777 7.777 8.088 -0.311 19221 11889 1 12 . 1 1 138 138 HIS N N 138 113.660 113.660 115.096 -1.436 19221 11890 1 12 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.089 -0.130 19221 11891 1 12 . 1 1 138 138 HIS C C 138 173.700 173.700 173.814 -0.114 19221 11892 1 12 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.214 -0.883 19221 11893 1 12 . 1 1 138 138 HIS CB C 138 25.410 25.410 26.294 -0.884 19221 11894 1 12 . 1 1 138 138 HIS H H 138 7.567 7.567 8.152 -0.585 19221 11895 1 12 . 1 1 139 139 LEU N N 139 120.070 120.070 120.484 -0.414 19221 11896 1 12 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.707 0.136 19221 11897 1 12 . 1 1 139 139 LEU C C 139 174.376 174.376 175.820 -1.444 19221 11898 1 12 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.023 -0.153 19221 11899 1 12 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.217 2.533 19221 11900 1 12 . 1 1 139 139 LEU H H 139 7.513 7.513 7.501 0.012 19221 11901 1 12 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.607 -0.216 19221 11902 1 12 . 1 1 140 140 PRO C C 140 177.985 177.985 178.283 -0.298 19221 11903 1 12 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.423 -0.033 19221 11904 1 12 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.457 -0.387 19221 11905 1 12 . 1 1 141 141 LYS N N 141 123.930 123.930 121.097 2.833 19221 11906 1 12 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.761 0.058 19221 11907 1 12 . 1 1 141 141 LYS C C 141 178.083 178.083 178.002 0.081 19221 11908 1 12 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.360 0.470 19221 11909 1 12 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.038 -0.148 19221 11910 1 12 . 1 1 141 141 LYS H H 141 8.950 8.950 8.631 0.319 19221 11911 1 12 . 1 1 142 142 ASP N N 142 114.510 114.510 115.937 -1.427 19221 11912 1 12 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.401 0.094 19221 11913 1 12 . 1 1 142 142 ASP C C 142 176.656 176.656 177.104 -0.448 19221 11914 1 12 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.274 -0.684 19221 11915 1 12 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.757 -1.017 19221 11916 1 12 . 1 1 142 142 ASP H H 142 8.491 8.491 8.567 -0.076 19221 11917 1 12 . 1 1 143 143 ASN N N 143 116.400 116.400 114.677 1.723 19221 11918 1 12 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.886 0.180 19221 11919 1 12 . 1 1 143 143 ASN C C 143 175.954 175.954 176.407 -0.453 19221 11920 1 12 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.680 -0.460 19221 11921 1 12 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.085 0.865 19221 11922 1 12 . 1 1 143 143 ASN H H 143 8.191 8.191 7.863 0.328 19221 11923 1 12 . 1 1 144 144 VAL N N 144 120.490 120.490 121.018 -0.528 19221 11924 1 12 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.371 -0.048 19221 11925 1 12 . 1 1 144 144 VAL C C 144 176.423 176.423 176.589 -0.166 19221 11926 1 12 . 1 1 144 144 VAL CA C 144 66.990 66.990 67.338 -0.348 19221 11927 1 12 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.608 -0.168 19221 11928 1 12 . 1 1 144 144 VAL H H 144 7.472 7.472 7.825 -0.353 19221 11929 1 12 . 1 1 145 145 GLU N N 145 122.340 122.340 118.721 3.619 19221 11930 1 12 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.580 -0.319 19221 11931 1 12 . 1 1 145 145 GLU C C 145 177.853 177.853 178.153 -0.300 19221 11932 1 12 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.594 1.236 19221 11933 1 12 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.620 0.190 19221 11934 1 12 . 1 1 145 145 GLU H H 145 9.141 9.141 7.587 1.554 19221 11935 1 12 . 1 1 146 146 HIS N N 146 116.970 116.970 118.696 -1.726 19221 11936 1 12 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.358 -0.184 19221 11937 1 12 . 1 1 146 146 HIS C C 146 177.947 177.947 177.574 0.373 19221 11938 1 12 . 1 1 146 146 HIS CA C 146 59.540 59.540 58.287 1.253 19221 11939 1 12 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.541 0.909 19221 11940 1 12 . 1 1 146 146 HIS H H 146 8.162 8.162 7.722 0.440 19221 11941 1 12 . 1 1 147 147 LEU N N 147 120.670 120.670 121.133 -0.463 19221 11942 1 12 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.096 -0.136 19221 11943 1 12 . 1 1 147 147 LEU C C 147 178.427 178.427 178.744 -0.317 19221 11944 1 12 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.153 0.117 19221 11945 1 12 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.544 0.192 19221 11946 1 12 . 1 1 147 147 LEU H H 147 7.336 7.336 7.960 -0.624 19221 11947 1 12 . 1 1 148 148 VAL N N 148 118.060 118.060 114.826 3.234 19221 11948 1 12 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.552 -0.329 19221 11949 1 12 . 1 1 148 148 VAL C C 148 177.801 177.801 177.984 -0.183 19221 11950 1 12 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.883 1.078 19221 11951 1 12 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.463 -0.453 19221 11952 1 12 . 1 1 148 148 VAL H H 148 8.172 8.172 7.863 0.309 19221 11953 1 12 . 1 1 149 149 MET N N 149 117.770 117.770 119.768 -1.998 19221 11954 1 12 . 1 1 149 149 MET HA H 149 4.123 4.123 4.071 0.052 19221 11955 1 12 . 1 1 149 149 MET C C 149 179.823 179.823 178.589 1.234 19221 11956 1 12 . 1 1 149 149 MET CA C 149 58.630 58.630 59.290 -0.660 19221 11957 1 12 . 1 1 149 149 MET CB C 149 31.496 31.496 32.069 -0.573 19221 11958 1 12 . 1 1 149 149 MET H H 149 8.585 8.585 8.584 0.001 19221 11959 1 12 . 1 1 150 150 ARG N N 150 121.900 121.900 119.889 2.011 19221 11960 1 12 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.005 0.089 19221 11961 1 12 . 1 1 150 150 ARG C C 150 177.928 177.928 178.205 -0.277 19221 11962 1 12 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.209 -1.059 19221 11963 1 12 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.709 -0.959 19221 11964 1 12 . 1 1 150 150 ARG H H 150 8.160 8.160 7.948 0.212 19221 11965 1 12 . 1 1 151 151 ALA N N 151 121.710 121.710 121.942 -0.232 19221 11966 1 12 . 1 1 151 151 ALA HA H 151 3.798 3.798 4.014 -0.216 19221 11967 1 12 . 1 1 151 151 ALA C C 151 179.518 179.518 179.681 -0.163 19221 11968 1 12 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.053 0.687 19221 11969 1 12 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.226 -0.336 19221 11970 1 12 . 1 1 151 151 ALA H H 151 8.165 8.165 7.338 0.827 19221 11971 1 12 . 1 1 152 152 ILE N N 152 118.590 118.590 118.349 0.241 19221 11972 1 12 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.766 0.616 19221 11973 1 12 . 1 1 152 152 ILE C C 152 181.439 181.439 179.209 2.230 19221 11974 1 12 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.650 -0.090 19221 11975 1 12 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.910 0.790 19221 11976 1 12 . 1 1 152 152 ILE H H 152 8.331 8.331 8.110 0.221 19221 11977 1 12 . 1 1 153 153 SER N N 153 120.250 120.250 116.352 3.898 19221 11978 1 12 . 1 1 153 153 SER HA H 153 4.279 4.279 4.212 0.067 19221 11979 1 12 . 1 1 153 153 SER C C 153 176.745 176.745 176.218 0.527 19221 11980 1 12 . 1 1 153 153 SER CA C 153 62.040 62.040 61.562 0.478 19221 11981 1 12 . 1 1 153 153 SER CB C 153 62.930 62.930 63.087 -0.157 19221 11982 1 12 . 1 1 153 153 SER H H 153 8.756 8.756 8.263 0.493 19221 11983 1 12 . 1 1 154 154 LEU N N 154 119.480 119.480 118.630 0.850 19221 11984 1 12 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.120 0.225 19221 11985 1 12 . 1 1 154 154 LEU C C 154 177.351 177.351 177.426 -0.075 19221 11986 1 12 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.447 0.008 19221 11987 1 12 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.871 2.129 19221 11988 1 12 . 1 1 154 154 LEU H H 154 8.129 8.129 8.038 0.091 19221 11989 1 12 . 1 1 155 155 GLY N N 155 106.990 106.990 106.244 0.746 19221 11990 1 12 . 1 1 155 155 GLY C C 155 174.867 174.867 175.339 -0.472 19221 11991 1 12 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.144 -0.344 19221 11992 1 12 . 1 1 155 155 GLY H H 155 8.023 8.023 7.690 0.333 19221 11993 1 12 . 1 1 156 156 LEU N N 156 116.510 116.510 117.583 -1.073 19221 11994 1 12 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.212 0.048 19221 11995 1 12 . 1 1 156 156 LEU C C 156 175.387 175.387 176.307 -0.920 19221 11996 1 12 . 1 1 156 156 LEU CA C 156 55.930 55.930 55.988 -0.058 19221 11997 1 12 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.192 1.028 19221 11998 1 12 . 1 1 156 156 LEU H H 156 8.101 8.101 7.562 0.539 19221 11999 1 12 . 1 1 157 157 LEU N N 157 112.790 112.790 111.044 1.746 19221 12000 1 12 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.261 -0.261 19221 12001 1 12 . 1 1 157 157 LEU C C 157 175.382 175.382 175.430 -0.048 19221 12002 1 12 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.009 0.631 19221 12003 1 12 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.827 0.733 19221 12004 1 12 . 1 1 157 157 LEU H H 157 7.194 7.194 7.327 -0.133 19221 12005 1 12 . 1 1 158 158 LYS N N 158 121.010 121.010 120.564 0.446 19221 12006 1 12 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.695 0.100 19221 12007 1 12 . 1 1 158 158 LYS C C 158 175.461 175.461 175.525 -0.064 19221 12008 1 12 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.876 0.184 19221 12009 1 12 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.781 2.409 19221 12010 1 12 . 1 1 158 158 LYS H H 158 9.056 9.056 8.764 0.292 19221 12011 1 12 . 1 1 159 159 GLY N N 159 109.800 109.800 111.587 -1.787 19221 12012 1 12 . 1 1 159 159 GLY C C 159 170.992 170.992 172.900 -1.908 19221 12013 1 12 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.395 0.744 19221 12014 1 12 . 1 1 159 159 GLY H H 159 8.287 8.287 8.067 0.220 19221 12015 1 12 . 1 1 160 160 SER N N 160 112.940 112.940 114.267 -1.327 19221 12016 1 12 . 1 1 160 160 SER HA H 160 4.780 4.780 4.763 0.017 19221 12017 1 12 . 1 1 160 160 SER C C 160 172.525 172.525 173.309 -0.784 19221 12018 1 12 . 1 1 160 160 SER CA C 160 56.840 56.840 57.584 -0.744 19221 12019 1 12 . 1 1 160 160 SER CB C 160 65.660 65.660 66.702 -1.042 19221 12020 1 12 . 1 1 160 160 SER H H 160 8.847 8.847 8.922 -0.075 19221 12021 1 12 . 1 1 161 161 ILE N N 161 123.020 123.020 123.896 -0.876 19221 12022 1 12 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.087 0.319 19221 12023 1 12 . 1 1 161 161 ILE C C 161 174.457 174.457 175.822 -1.365 19221 12024 1 12 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.621 -0.202 19221 12025 1 12 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.749 1.479 19221 12026 1 12 . 1 1 161 161 ILE H H 161 8.867 8.867 8.676 0.191 19221 12027 1 12 . 1 1 162 162 ASP N N 162 128.130 128.130 125.639 2.491 19221 12028 1 12 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.993 -0.077 19221 12029 1 12 . 1 1 162 162 ASP C C 162 176.575 176.575 176.556 0.019 19221 12030 1 12 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.831 -1.091 19221 12031 1 12 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.891 0.249 19221 12032 1 12 . 1 1 162 162 ASP H H 162 8.955 8.955 8.656 0.299 19221 12033 1 12 . 1 1 163 163 GLN N N 163 123.480 123.480 120.094 3.386 19221 12034 1 12 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.864 -0.011 19221 12035 1 12 . 1 1 163 163 GLN C C 163 177.627 177.627 177.426 0.201 19221 12036 1 12 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.578 0.632 19221 12037 1 12 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.389 0.531 19221 12038 1 12 . 1 1 163 163 GLN H H 163 8.982 8.982 8.702 0.280 19221 12039 1 12 . 1 1 164 164 VAL N N 164 119.220 119.220 120.966 -1.746 19221 12040 1 12 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.754 -0.071 19221 12041 1 12 . 1 1 164 164 VAL C C 164 177.519 177.519 177.205 0.314 19221 12042 1 12 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.931 0.839 19221 12043 1 12 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.026 0.904 19221 12044 1 12 . 1 1 164 164 VAL H H 164 7.974 7.974 8.318 -0.344 19221 12045 1 12 . 1 1 165 165 ASN N N 165 114.430 114.430 116.488 -2.058 19221 12046 1 12 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.709 -0.108 19221 12047 1 12 . 1 1 165 165 ASN C C 165 172.795 172.795 174.195 -1.400 19221 12048 1 12 . 1 1 165 165 ASN CA C 165 52.900 52.900 52.859 0.041 19221 12049 1 12 . 1 1 165 165 ASN CB C 165 38.830 38.830 38.977 -0.147 19221 12050 1 12 . 1 1 165 165 ASN H H 165 7.502 7.502 7.736 -0.234 19221 12051 1 12 . 1 1 166 166 GLU N N 166 116.970 116.970 113.836 3.134 19221 12052 1 12 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.844 -0.830 19221 12053 1 12 . 1 1 166 166 GLU C C 166 174.562 174.562 173.551 1.011 19221 12054 1 12 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.895 -0.667 19221 12055 1 12 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.033 -0.217 19221 12056 1 12 . 1 1 166 166 GLU H H 166 7.268 7.268 7.686 -0.418 19221 12057 1 12 . 1 1 167 167 LEU N N 167 117.360 117.360 116.448 0.912 19221 12058 1 12 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.015 -0.017 19221 12059 1 12 . 1 1 167 167 LEU C C 167 175.659 175.659 175.094 0.565 19221 12060 1 12 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.577 0.093 19221 12061 1 12 . 1 1 167 167 LEU CB C 167 47.310 47.310 47.077 0.233 19221 12062 1 12 . 1 1 167 167 LEU H H 167 7.699 7.699 7.359 0.340 19221 12063 1 12 . 1 1 168 168 VAL N N 168 125.350 125.350 117.819 7.531 19221 12064 1 12 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.750 0.089 19221 12065 1 12 . 1 1 168 168 VAL C C 168 174.792 174.792 174.844 -0.052 19221 12066 1 12 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.278 -0.148 19221 12067 1 12 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.185 -1.836 19221 12068 1 12 . 1 1 168 168 VAL H H 168 9.445 9.445 8.925 0.520 19221 12069 1 12 . 1 1 169 169 THR N N 169 123.020 123.020 121.558 1.462 19221 12070 1 12 . 1 1 169 169 THR HA H 169 4.869 4.869 5.222 -0.353 19221 12071 1 12 . 1 1 169 169 THR C C 169 173.876 173.876 173.483 0.393 19221 12072 1 12 . 1 1 169 169 THR CA C 169 61.580 61.580 61.691 -0.111 19221 12073 1 12 . 1 1 169 169 THR CB C 169 69.750 69.750 70.525 -0.775 19221 12074 1 12 . 1 1 169 169 THR H H 169 8.824 8.824 9.017 -0.193 19221 12075 1 12 . 1 1 170 170 ILE N N 170 126.700 126.700 126.463 0.237 19221 12076 1 12 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.660 -0.118 19221 12077 1 12 . 1 1 170 170 ILE C C 170 175.672 175.672 174.996 0.676 19221 12078 1 12 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.070 0.260 19221 12079 1 12 . 1 1 170 170 ILE CB C 170 39.610 39.610 41.215 -1.605 19221 12080 1 12 . 1 1 170 170 ILE H H 170 8.911 8.911 9.100 -0.189 19221 12081 1 12 . 1 1 171 171 SER N N 171 122.780 122.780 119.746 3.034 19221 12082 1 12 . 1 1 171 171 SER HA H 171 4.670 4.670 4.730 -0.060 19221 12083 1 12 . 1 1 171 171 SER C C 171 174.700 174.700 173.448 1.252 19221 12084 1 12 . 1 1 171 171 SER CA C 171 58.280 58.280 58.931 -0.652 19221 12085 1 12 . 1 1 171 171 SER CB C 171 64.560 64.560 65.489 -0.929 19221 12086 1 12 . 1 1 171 171 SER H H 171 9.242 9.242 9.273 -0.031 19221 12087 1 12 . 1 1 172 172 TRP N N 172 123.970 123.970 122.051 1.919 19221 12088 1 12 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.883 -0.248 19221 12089 1 12 . 1 1 172 172 TRP C C 172 172.618 172.618 173.652 -1.034 19221 12090 1 12 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.327 0.583 19221 12091 1 12 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.240 -0.590 19221 12092 1 12 . 1 1 172 172 TRP H H 172 7.929 7.929 7.648 0.281 19221 12093 1 12 . 1 1 173 173 VAL N N 173 123.660 123.660 123.656 0.004 19221 12094 1 12 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.078 0.052 19221 12095 1 12 . 1 1 173 173 VAL C C 173 170.746 170.746 173.338 -2.592 19221 12096 1 12 . 1 1 173 173 VAL CA C 173 59.100 59.100 60.220 -1.120 19221 12097 1 12 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.461 -0.241 19221 12098 1 12 . 1 1 173 173 VAL H H 173 6.764 6.764 7.569 -0.805 19221 12099 1 12 . 1 1 174 174 GLN N N 174 126.430 126.430 127.329 -0.899 19221 12100 1 12 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.855 -0.249 19221 12101 1 12 . 1 1 174 174 GLN C C 174 172.955 172.955 174.101 -1.146 19221 12102 1 12 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.289 -0.239 19221 12103 1 12 . 1 1 174 174 GLN CB C 174 29.760 29.760 29.310 0.450 19221 12104 1 12 . 1 1 174 174 GLN H H 174 7.071 7.071 8.063 -0.992 19221 12105 1 12 . 1 1 175 175 PRO HA H 175 3.861 3.861 3.629 0.232 19221 12106 1 12 . 1 1 175 175 PRO C C 175 175.955 175.955 176.403 -0.448 19221 12107 1 12 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.660 -0.910 19221 12108 1 12 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.691 0.709 19221 12109 1 13 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.190 -0.050 19221 12110 1 13 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.033 0.057 19221 12111 1 13 . 1 1 2 2 LYS CB C 2 32.930 32.930 30.401 2.529 19221 12112 1 13 . 1 1 4 4 ASP C C 4 176.140 176.140 175.472 0.668 19221 12113 1 13 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.314 2.216 19221 12114 1 13 . 1 1 4 4 ASP CB C 4 41.980 41.980 42.125 -0.145 19221 12115 1 13 . 1 1 5 5 PHE N N 5 122.270 122.270 120.062 2.208 19221 12116 1 13 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.363 -0.184 19221 12117 1 13 . 1 1 5 5 PHE C C 5 177.706 177.706 177.202 0.504 19221 12118 1 13 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.637 0.243 19221 12119 1 13 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.027 -0.127 19221 12120 1 13 . 1 1 5 5 PHE H H 5 7.853 7.853 8.621 -0.768 19221 12121 1 13 . 1 1 6 6 ASN N N 6 114.920 114.920 117.526 -2.606 19221 12122 1 13 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.564 -0.163 19221 12123 1 13 . 1 1 6 6 ASN C C 6 176.990 176.990 177.766 -0.776 19221 12124 1 13 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.570 -0.100 19221 12125 1 13 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.298 0.925 19221 12126 1 13 . 1 1 6 6 ASN H H 6 8.051 8.051 8.986 -0.935 19221 12127 1 13 . 1 1 7 7 SER N N 7 112.970 112.970 117.534 -4.564 19221 12128 1 13 . 1 1 7 7 SER HA H 7 4.435 4.435 4.305 0.130 19221 12129 1 13 . 1 1 7 7 SER C C 7 177.780 177.780 176.566 1.214 19221 12130 1 13 . 1 1 7 7 SER CA C 7 61.440 61.440 61.820 -0.380 19221 12131 1 13 . 1 1 7 7 SER CB C 7 62.770 62.770 63.190 -0.420 19221 12132 1 13 . 1 1 7 7 SER H H 7 8.041 8.041 7.785 0.256 19221 12133 1 13 . 1 1 8 8 PHE N N 8 123.560 123.560 123.098 0.462 19221 12134 1 13 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.376 -0.309 19221 12135 1 13 . 1 1 8 8 PHE C C 8 177.959 177.959 177.318 0.641 19221 12136 1 13 . 1 1 8 8 PHE CA C 8 62.110 62.110 60.221 1.889 19221 12137 1 13 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.191 -0.224 19221 12138 1 13 . 1 1 8 8 PHE H H 8 8.364 8.364 8.660 -0.296 19221 12139 1 13 . 1 1 9 9 TYR N N 9 122.550 122.550 120.756 1.794 19221 12140 1 13 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.918 0.082 19221 12141 1 13 . 1 1 9 9 TYR C C 9 176.360 176.360 176.606 -0.246 19221 12142 1 13 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.360 -0.350 19221 12143 1 13 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.114 0.086 19221 12144 1 13 . 1 1 9 9 TYR H H 9 8.230 8.230 8.875 -0.645 19221 12145 1 13 . 1 1 10 10 TYR N N 10 115.490 115.490 118.335 -2.845 19221 12146 1 13 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.031 0.075 19221 12147 1 13 . 1 1 10 10 TYR C C 10 180.280 180.280 177.443 2.837 19221 12148 1 13 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.304 1.216 19221 12149 1 13 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.846 -0.916 19221 12150 1 13 . 1 1 10 10 TYR H H 10 7.958 7.958 7.871 0.087 19221 12151 1 13 . 1 1 11 11 THR N N 11 115.140 115.140 116.339 -1.199 19221 12152 1 13 . 1 1 11 11 THR HA H 11 3.934 3.934 3.616 0.318 19221 12153 1 13 . 1 1 11 11 THR CA C 11 66.560 66.560 66.823 -0.263 19221 12154 1 13 . 1 1 11 11 THR CB C 11 68.750 68.750 67.780 0.970 19221 12155 1 13 . 1 1 11 11 THR H H 11 8.806 8.806 7.943 0.863 19221 12156 1 13 . 1 1 12 12 SER N N 12 120.384 120.384 117.141 3.243 19221 12157 1 13 . 1 1 12 12 SER HA H 12 3.346 3.346 3.953 -0.607 19221 12158 1 13 . 1 1 12 12 SER C C 12 175.891 175.891 176.317 -0.426 19221 12159 1 13 . 1 1 12 12 SER CA C 12 62.740 62.740 61.255 1.486 19221 12160 1 13 . 1 1 12 12 SER CB C 12 62.580 62.580 62.705 -0.125 19221 12161 1 13 . 1 1 12 12 SER H H 12 8.151 8.151 8.051 0.100 19221 12162 1 13 . 1 1 13 13 LEU N N 13 121.640 121.640 121.286 0.354 19221 12163 1 13 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.971 -0.170 19221 12164 1 13 . 1 1 13 13 LEU C C 13 180.374 180.374 178.612 1.762 19221 12165 1 13 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.123 1.227 19221 12166 1 13 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.938 -0.528 19221 12167 1 13 . 1 1 13 13 LEU H H 13 7.893 7.893 7.172 0.721 19221 12168 1 13 . 1 1 14 14 LEU N N 14 120.470 120.470 120.767 -0.297 19221 12169 1 13 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.734 0.427 19221 12170 1 13 . 1 1 14 14 LEU C C 14 179.880 179.880 178.217 1.663 19221 12171 1 13 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.486 0.514 19221 12172 1 13 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.607 -0.057 19221 12173 1 13 . 1 1 14 14 LEU H H 14 7.528 7.528 8.239 -0.711 19221 12174 1 13 . 1 1 15 15 TYR N N 15 122.257 122.257 119.431 2.826 19221 12175 1 13 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.085 0.180 19221 12176 1 13 . 1 1 15 15 TYR C C 15 177.033 177.033 177.652 -0.619 19221 12177 1 13 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.991 -0.261 19221 12178 1 13 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.272 -0.172 19221 12179 1 13 . 1 1 15 15 TYR H H 15 8.135 8.135 8.358 -0.223 19221 12180 1 13 . 1 1 16 16 LEU N N 16 118.440 118.440 118.009 0.431 19221 12181 1 13 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.693 0.112 19221 12182 1 13 . 1 1 16 16 LEU C C 16 179.055 179.055 179.149 -0.094 19221 12183 1 13 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.339 -0.126 19221 12184 1 13 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.523 0.542 19221 12185 1 13 . 1 1 16 16 LEU H H 16 8.452 8.452 7.708 0.744 19221 12186 1 13 . 1 1 17 17 SER N N 17 114.450 114.450 114.639 -0.189 19221 12187 1 13 . 1 1 17 17 SER HA H 17 4.430 4.430 4.123 0.307 19221 12188 1 13 . 1 1 17 17 SER C C 17 175.197 175.197 175.900 -0.703 19221 12189 1 13 . 1 1 17 17 SER CA C 17 61.040 61.040 60.853 0.187 19221 12190 1 13 . 1 1 17 17 SER CB C 17 63.460 63.460 63.316 0.144 19221 12191 1 13 . 1 1 17 17 SER H H 17 7.848 7.848 7.582 0.266 19221 12192 1 13 . 1 1 18 18 THR N N 18 110.850 110.850 112.162 -1.312 19221 12193 1 13 . 1 1 18 18 THR HA H 18 4.452 4.452 4.214 0.238 19221 12194 1 13 . 1 1 18 18 THR C C 18 174.439 174.439 175.147 -0.708 19221 12195 1 13 . 1 1 18 18 THR CA C 18 61.421 61.421 62.880 -1.459 19221 12196 1 13 . 1 1 18 18 THR CB C 18 69.940 69.940 69.148 0.792 19221 12197 1 13 . 1 1 18 18 THR H H 18 7.505 7.505 7.784 -0.279 19221 12198 1 13 . 1 1 19 19 LEU N N 19 123.180 123.180 123.491 -0.311 19221 12199 1 13 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.143 0.017 19221 12200 1 13 . 1 1 19 19 LEU C C 19 176.926 176.926 176.810 0.116 19221 12201 1 13 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.058 0.232 19221 12202 1 13 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.450 -0.002 19221 12203 1 13 . 1 1 19 19 LEU H H 19 7.095 7.095 7.162 -0.067 19221 12204 1 13 . 1 1 20 20 GLU N N 20 125.330 125.330 125.875 -0.545 19221 12205 1 13 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.505 0.103 19221 12206 1 13 . 1 1 20 20 GLU C C 20 175.915 175.915 176.227 -0.312 19221 12207 1 13 . 1 1 20 20 GLU CA C 20 54.773 54.773 54.441 0.332 19221 12208 1 13 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.530 0.060 19221 12209 1 13 . 1 1 20 20 GLU H H 20 8.535 8.535 8.622 -0.087 19221 12210 1 13 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.350 -0.017 19221 12211 1 13 . 1 1 21 21 PRO C C 21 177.196 177.196 176.852 0.344 19221 12212 1 13 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.474 0.306 19221 12213 1 13 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.979 -0.129 19221 12214 1 13 . 1 1 22 22 SER N N 22 111.220 111.220 113.984 -2.764 19221 12215 1 13 . 1 1 22 22 SER HA H 22 4.398 4.398 4.325 0.073 19221 12216 1 13 . 1 1 22 22 SER C C 22 175.056 175.056 174.901 0.155 19221 12217 1 13 . 1 1 22 22 SER CA C 22 58.530 58.530 59.608 -1.078 19221 12218 1 13 . 1 1 22 22 SER CB C 22 63.500 63.500 63.282 0.218 19221 12219 1 13 . 1 1 22 22 SER H H 22 7.967 7.967 8.373 -0.406 19221 12220 1 13 . 1 1 23 23 THR N N 23 117.440 117.440 112.615 4.825 19221 12221 1 13 . 1 1 23 23 THR HA H 23 4.279 4.279 4.583 -0.304 19221 12222 1 13 . 1 1 23 23 THR C C 23 174.573 174.573 172.713 1.860 19221 12223 1 13 . 1 1 23 23 THR CA C 23 62.920 62.920 60.813 2.107 19221 12224 1 13 . 1 1 23 23 THR CB C 23 69.260 69.260 71.266 -2.006 19221 12225 1 13 . 1 1 23 23 THR H H 23 7.936 7.936 7.572 0.364 19221 12226 1 13 . 1 1 24 24 SER N N 24 119.820 119.820 115.243 4.577 19221 12227 1 13 . 1 1 24 24 SER HA H 24 4.485 4.485 4.697 -0.212 19221 12228 1 13 . 1 1 24 24 SER C C 24 174.082 174.082 174.086 -0.004 19221 12229 1 13 . 1 1 24 24 SER CA C 24 58.600 58.600 57.346 1.254 19221 12230 1 13 . 1 1 24 24 SER CB C 24 63.430 63.430 64.871 -1.441 19221 12231 1 13 . 1 1 24 24 SER H H 24 8.438 8.438 8.186 0.252 19221 12232 1 13 . 1 1 25 25 ILE N N 25 123.140 123.140 118.629 4.511 19221 12233 1 13 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.348 0.131 19221 12234 1 13 . 1 1 25 25 ILE C C 25 176.472 176.472 176.154 0.318 19221 12235 1 13 . 1 1 25 25 ILE CA C 25 61.010 61.010 61.083 -0.073 19221 12236 1 13 . 1 1 25 25 ILE CB C 25 39.460 39.460 37.714 1.746 19221 12237 1 13 . 1 1 25 25 ILE H H 25 7.870 7.870 8.158 -0.288 19221 12238 1 13 . 1 1 26 26 THR N N 26 118.120 118.120 114.144 3.976 19221 12239 1 13 . 1 1 26 26 THR HA H 26 4.394 4.394 4.479 -0.085 19221 12240 1 13 . 1 1 26 26 THR C C 26 175.540 175.540 175.695 -0.155 19221 12241 1 13 . 1 1 26 26 THR CA C 26 61.890 61.890 61.027 0.863 19221 12242 1 13 . 1 1 26 26 THR CB C 26 71.320 71.320 70.089 1.231 19221 12243 1 13 . 1 1 26 26 THR H H 26 8.649 8.649 8.242 0.407 19221 12244 1 13 . 1 1 27 27 LEU N N 27 123.130 123.130 121.187 1.943 19221 12245 1 13 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.128 -0.039 19221 12246 1 13 . 1 1 27 27 LEU C C 27 178.653 178.653 178.376 0.277 19221 12247 1 13 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.849 0.911 19221 12248 1 13 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.393 -0.213 19221 12249 1 13 . 1 1 27 27 LEU H H 27 8.766 8.766 8.489 0.277 19221 12250 1 13 . 1 1 28 28 ALA N N 28 119.510 119.510 121.274 -1.764 19221 12251 1 13 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.044 0.219 19221 12252 1 13 . 1 1 28 28 ALA C C 28 178.218 178.218 179.654 -1.436 19221 12253 1 13 . 1 1 28 28 ALA CA C 28 55.320 55.320 55.044 0.276 19221 12254 1 13 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.082 0.038 19221 12255 1 13 . 1 1 28 28 ALA H H 28 8.546 8.546 8.350 0.196 19221 12256 1 13 . 1 1 29 29 GLU N N 29 118.210 118.210 118.096 0.114 19221 12257 1 13 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.097 -0.016 19221 12258 1 13 . 1 1 29 29 GLU C C 29 179.929 179.929 179.362 0.567 19221 12259 1 13 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.281 0.019 19221 12260 1 13 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.469 0.607 19221 12261 1 13 . 1 1 29 29 GLU H H 29 7.719 7.719 8.087 -0.368 19221 12262 1 13 . 1 1 30 30 ARG N N 30 121.350 121.350 120.384 0.966 19221 12263 1 13 . 1 1 30 30 ARG HA H 30 3.959 3.959 3.969 -0.010 19221 12264 1 13 . 1 1 30 30 ARG C C 30 177.538 177.538 178.928 -1.390 19221 12265 1 13 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.802 0.843 19221 12266 1 13 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.053 0.947 19221 12267 1 13 . 1 1 30 30 ARG H H 30 8.410 8.410 8.206 0.204 19221 12268 1 13 . 1 1 31 31 GLN N N 31 117.670 117.670 118.776 -1.106 19221 12269 1 13 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.050 -0.098 19221 12270 1 13 . 1 1 31 31 GLN C C 31 178.220 178.220 178.994 -0.774 19221 12271 1 13 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.283 -0.328 19221 12272 1 13 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.696 -0.066 19221 12273 1 13 . 1 1 31 31 GLN H H 31 8.742 8.742 8.450 0.292 19221 12274 1 13 . 1 1 32 32 GLN N N 32 117.910 117.910 118.940 -1.030 19221 12275 1 13 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.165 -0.178 19221 12276 1 13 . 1 1 32 32 GLN C C 32 177.712 177.712 178.754 -1.042 19221 12277 1 13 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.152 0.178 19221 12278 1 13 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.332 -0.012 19221 12279 1 13 . 1 1 32 32 GLN H H 32 7.732 7.732 7.967 -0.235 19221 12280 1 13 . 1 1 33 33 LEU N N 33 119.680 119.680 121.215 -1.535 19221 12281 1 13 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.123 0.281 19221 12282 1 13 . 1 1 33 33 LEU C C 33 178.876 178.876 178.145 0.731 19221 12283 1 13 . 1 1 33 33 LEU CA C 33 58.050 58.050 56.950 1.101 19221 12284 1 13 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.319 0.481 19221 12285 1 13 . 1 1 33 33 LEU H H 33 7.846 7.846 8.646 -0.800 19221 12286 1 13 . 1 1 34 34 ALA N N 34 121.660 121.660 122.695 -1.035 19221 12287 1 13 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.981 -0.240 19221 12288 1 13 . 1 1 34 34 ALA C C 34 180.025 180.025 179.193 0.832 19221 12289 1 13 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.275 0.395 19221 12290 1 13 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.150 0.790 19221 12291 1 13 . 1 1 34 34 ALA H H 34 8.308 8.308 8.681 -0.373 19221 12292 1 13 . 1 1 35 35 TYR N N 35 120.860 120.860 119.669 1.191 19221 12293 1 13 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.704 0.054 19221 12294 1 13 . 1 1 35 35 TYR C C 35 176.384 176.384 177.017 -0.633 19221 12295 1 13 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.474 0.546 19221 12296 1 13 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.620 0.840 19221 12297 1 13 . 1 1 35 35 TYR H H 35 8.457 8.457 8.419 0.038 19221 12298 1 13 . 1 1 36 36 ASP N N 36 120.570 120.570 119.574 0.996 19221 12299 1 13 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.009 0.226 19221 12300 1 13 . 1 1 36 36 ASP C C 36 180.544 180.544 178.667 1.877 19221 12301 1 13 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.613 0.327 19221 12302 1 13 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.721 -0.251 19221 12303 1 13 . 1 1 36 36 ASP H H 36 9.072 9.072 8.244 0.828 19221 12304 1 13 . 1 1 37 37 LEU N N 37 123.000 123.000 120.275 2.725 19221 12305 1 13 . 1 1 37 37 LEU HA H 37 4.146 4.146 3.925 0.221 19221 12306 1 13 . 1 1 37 37 LEU C C 37 178.743 178.743 179.085 -0.342 19221 12307 1 13 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.446 0.168 19221 12308 1 13 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.955 0.855 19221 12309 1 13 . 1 1 37 37 LEU H H 37 9.068 9.068 8.445 0.623 19221 12310 1 13 . 1 1 38 38 SER N N 38 116.650 116.650 115.714 0.936 19221 12311 1 13 . 1 1 38 38 SER HA H 38 3.680 3.680 4.207 -0.527 19221 12312 1 13 . 1 1 38 38 SER C C 38 174.113 174.113 176.700 -2.587 19221 12313 1 13 . 1 1 38 38 SER CA C 38 59.430 59.430 62.333 -2.903 19221 12314 1 13 . 1 1 38 38 SER CB C 38 63.559 63.559 62.844 0.715 19221 12315 1 13 . 1 1 38 38 SER H H 38 7.824 7.824 8.246 -0.422 19221 12316 1 13 . 1 1 39 39 ILE N N 39 121.198 121.198 122.125 -0.927 19221 12317 1 13 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.602 -0.197 19221 12318 1 13 . 1 1 39 39 ILE C C 39 176.113 176.113 177.786 -1.673 19221 12319 1 13 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.419 -1.059 19221 12320 1 13 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.597 -1.249 19221 12321 1 13 . 1 1 39 39 ILE H H 39 8.313 8.313 8.451 -0.138 19221 12322 1 13 . 1 1 40 40 SER N N 40 115.537 115.537 116.039 -0.502 19221 12323 1 13 . 1 1 40 40 SER HA H 40 4.534 4.534 4.227 0.307 19221 12324 1 13 . 1 1 40 40 SER C C 40 174.881 174.881 175.593 -0.712 19221 12325 1 13 . 1 1 40 40 SER CA C 40 62.520 62.520 61.921 0.599 19221 12326 1 13 . 1 1 40 40 SER CB C 40 62.670 62.670 63.109 -0.439 19221 12327 1 13 . 1 1 40 40 SER H H 40 7.961 7.961 8.561 -0.600 19221 12328 1 13 . 1 1 41 41 ALA N N 41 123.360 123.360 121.501 1.859 19221 12329 1 13 . 1 1 41 41 ALA HA H 41 3.592 3.592 4.102 -0.510 19221 12330 1 13 . 1 1 41 41 ALA C C 41 178.822 178.822 179.741 -0.919 19221 12331 1 13 . 1 1 41 41 ALA CA C 41 54.122 54.122 53.646 0.476 19221 12332 1 13 . 1 1 41 41 ALA CB C 41 18.390 18.390 19.253 -0.863 19221 12333 1 13 . 1 1 41 41 ALA H H 41 7.878 7.878 7.835 0.043 19221 12334 1 13 . 1 1 42 42 LEU N N 42 115.790 115.790 121.493 -5.703 19221 12335 1 13 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.232 -0.656 19221 12336 1 13 . 1 1 42 42 LEU C C 42 179.683 179.683 178.262 1.421 19221 12337 1 13 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.755 0.976 19221 12338 1 13 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.332 -0.122 19221 12339 1 13 . 1 1 42 42 LEU H H 42 7.737 7.737 8.219 -0.482 19221 12340 1 13 . 1 1 43 43 LEU N N 43 113.670 113.670 113.607 0.063 19221 12341 1 13 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.156 -0.149 19221 12342 1 13 . 1 1 43 43 LEU C C 43 177.279 177.279 177.020 0.259 19221 12343 1 13 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.149 0.781 19221 12344 1 13 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.331 0.489 19221 12345 1 13 . 1 1 43 43 LEU H H 43 7.798 7.798 7.941 -0.143 19221 12346 1 13 . 1 1 44 44 GLY N N 44 108.270 108.270 108.780 -0.510 19221 12347 1 13 . 1 1 44 44 GLY C C 44 177.020 177.020 174.010 3.010 19221 12348 1 13 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.625 2.265 19221 12349 1 13 . 1 1 44 44 GLY H H 44 7.984 7.984 7.766 0.218 19221 12350 1 13 . 1 1 45 45 ASP N N 45 128.400 128.400 126.042 2.358 19221 12351 1 13 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.497 0.062 19221 12352 1 13 . 1 1 45 45 ASP C C 45 177.183 177.183 176.603 0.580 19221 12353 1 13 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.821 -1.371 19221 12354 1 13 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.179 -1.389 19221 12355 1 13 . 1 1 45 45 ASP H H 45 9.073 9.073 8.314 0.759 19221 12356 1 13 . 1 1 46 46 LYS N N 46 117.230 117.230 115.262 1.968 19221 12357 1 13 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.432 0.513 19221 12358 1 13 . 1 1 46 46 LYS C C 46 176.544 176.544 176.305 0.239 19221 12359 1 13 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.475 0.135 19221 12360 1 13 . 1 1 46 46 LYS CB C 46 33.960 33.960 33.959 0.000 19221 12361 1 13 . 1 1 46 46 LYS H H 46 8.987 8.987 8.319 0.668 19221 12362 1 13 . 1 1 47 47 ILE N N 47 121.540 121.540 124.502 -2.962 19221 12363 1 13 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.803 0.294 19221 12364 1 13 . 1 1 47 47 ILE C C 47 174.082 174.082 174.862 -0.780 19221 12365 1 13 . 1 1 47 47 ILE CA C 47 61.080 61.080 60.174 0.906 19221 12366 1 13 . 1 1 47 47 ILE CB C 47 37.008 37.008 34.324 2.684 19221 12367 1 13 . 1 1 47 47 ILE H H 47 6.840 6.840 7.795 -0.955 19221 12368 1 13 . 1 1 48 48 TYR N N 48 123.820 123.820 129.018 -5.198 19221 12369 1 13 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.011 0.298 19221 12370 1 13 . 1 1 48 48 TYR C C 48 173.249 173.249 175.465 -2.216 19221 12371 1 13 . 1 1 48 48 TYR CA C 48 57.350 57.350 61.467 -4.117 19221 12372 1 13 . 1 1 48 48 TYR CB C 48 39.230 39.230 38.983 0.247 19221 12373 1 13 . 1 1 48 48 TYR H H 48 8.511 8.511 7.947 0.564 19221 12374 1 13 . 1 1 49 49 ASN N N 49 116.100 116.100 116.776 -0.676 19221 12375 1 13 . 1 1 49 49 ASN HA H 49 4.451 4.451 3.843 0.608 19221 12376 1 13 . 1 1 49 49 ASN C C 49 175.429 175.429 177.033 -1.604 19221 12377 1 13 . 1 1 49 49 ASN CA C 49 53.077 53.077 55.403 -2.326 19221 12378 1 13 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.072 1.844 19221 12379 1 13 . 1 1 49 49 ASN H H 49 6.906 6.906 8.300 -1.394 19221 12380 1 13 . 1 1 50 50 PHE N N 50 124.360 124.360 114.340 10.020 19221 12381 1 13 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.009 1.002 19221 12382 1 13 . 1 1 50 50 PHE C C 50 176.190 176.190 176.743 -0.553 19221 12383 1 13 . 1 1 50 50 PHE CA C 50 55.863 55.863 60.344 -4.481 19221 12384 1 13 . 1 1 50 50 PHE CB C 50 38.482 38.482 36.766 1.716 19221 12385 1 13 . 1 1 50 50 PHE H H 50 8.980 8.980 8.144 0.836 19221 12386 1 13 . 1 1 51 51 GLY N N 51 109.740 109.740 106.201 3.539 19221 12387 1 13 . 1 1 51 51 GLY C C 51 175.758 175.758 175.792 -0.034 19221 12388 1 13 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.006 1.294 19221 12389 1 13 . 1 1 51 51 GLY H H 51 8.658 8.658 8.262 0.396 19221 12390 1 13 . 1 1 52 52 GLU N N 52 120.700 120.700 122.482 -1.782 19221 12391 1 13 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.168 -0.086 19221 12392 1 13 . 1 1 52 52 GLU C C 52 178.240 178.240 179.172 -0.932 19221 12393 1 13 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.040 0.170 19221 12394 1 13 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.824 -0.085 19221 12395 1 13 . 1 1 52 52 GLU H H 52 8.321 8.321 8.828 -0.507 19221 12396 1 13 . 1 1 53 53 LEU N N 53 119.400 119.400 121.904 -2.504 19221 12397 1 13 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.222 -0.064 19221 12398 1 13 . 1 1 53 53 LEU C C 53 178.344 178.344 178.649 -0.305 19221 12399 1 13 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.924 -0.134 19221 12400 1 13 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.379 0.461 19221 12401 1 13 . 1 1 53 53 LEU H H 53 7.694 7.694 7.788 -0.094 19221 12402 1 13 . 1 1 54 54 LEU N N 54 114.230 114.230 114.825 -0.595 19221 12403 1 13 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.125 -0.202 19221 12404 1 13 . 1 1 54 54 LEU C C 54 178.643 178.643 177.601 1.042 19221 12405 1 13 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.610 1.120 19221 12406 1 13 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.684 0.167 19221 12407 1 13 . 1 1 54 54 LEU H H 54 8.369 8.369 8.078 0.291 19221 12408 1 13 . 1 1 55 55 HIS N N 55 113.420 113.420 112.098 1.322 19221 12409 1 13 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.785 -0.078 19221 12410 1 13 . 1 1 55 55 HIS C C 55 173.981 173.981 175.109 -1.128 19221 12411 1 13 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.492 0.028 19221 12412 1 13 . 1 1 55 55 HIS CB C 55 29.280 29.280 30.807 -1.527 19221 12413 1 13 . 1 1 55 55 HIS H H 55 7.569 7.569 7.643 -0.074 19221 12414 1 13 . 1 1 56 56 HIS N N 56 126.050 126.050 123.256 2.794 19221 12415 1 13 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.644 -0.163 19221 12416 1 13 . 1 1 56 56 HIS C C 56 176.705 176.705 174.780 1.925 19221 12417 1 13 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.578 2.772 19221 12418 1 13 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.177 0.543 19221 12419 1 13 . 1 1 56 56 HIS H H 56 8.068 8.068 8.166 -0.098 19221 12420 1 13 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.257 0.120 19221 12421 1 13 . 1 1 57 57 PRO C C 57 179.790 179.790 178.536 1.254 19221 12422 1 13 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.735 0.705 19221 12423 1 13 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.805 0.625 19221 12424 1 13 . 1 1 58 58 ILE N N 58 124.900 124.900 120.919 3.981 19221 12425 1 13 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.687 0.583 19221 12426 1 13 . 1 1 58 58 ILE C C 58 177.782 177.782 177.139 0.643 19221 12427 1 13 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.850 -1.320 19221 12428 1 13 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.457 0.813 19221 12429 1 13 . 1 1 58 58 ILE H H 58 11.871 11.871 7.490 4.381 19221 12430 1 13 . 1 1 59 59 MET N N 59 120.230 120.230 116.439 3.791 19221 12431 1 13 . 1 1 59 59 MET HA H 59 4.431 4.431 4.163 0.268 19221 12432 1 13 . 1 1 59 59 MET C C 59 178.757 178.757 178.844 -0.087 19221 12433 1 13 . 1 1 59 59 MET CA C 59 55.720 55.720 56.484 -0.764 19221 12434 1 13 . 1 1 59 59 MET CB C 59 30.980 30.980 30.808 0.172 19221 12435 1 13 . 1 1 59 59 MET H H 59 8.152 8.152 8.018 0.134 19221 12436 1 13 . 1 1 60 60 GLU N N 60 119.080 119.080 118.253 0.827 19221 12437 1 13 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.949 0.059 19221 12438 1 13 . 1 1 60 60 GLU C C 60 178.242 178.242 177.809 0.433 19221 12439 1 13 . 1 1 60 60 GLU CA C 60 58.520 58.520 58.403 0.117 19221 12440 1 13 . 1 1 60 60 GLU CB C 60 29.547 29.547 29.283 0.264 19221 12441 1 13 . 1 1 60 60 GLU H H 60 7.889 7.889 7.805 0.084 19221 12442 1 13 . 1 1 61 61 THR N N 61 106.740 106.740 108.582 -1.842 19221 12443 1 13 . 1 1 61 61 THR HA H 61 4.120 4.120 4.218 -0.098 19221 12444 1 13 . 1 1 61 61 THR C C 61 176.056 176.056 176.054 0.002 19221 12445 1 13 . 1 1 61 61 THR CA C 61 64.520 64.520 64.112 0.408 19221 12446 1 13 . 1 1 61 61 THR CB C 61 69.420 69.420 69.731 -0.312 19221 12447 1 13 . 1 1 61 61 THR H H 61 7.558 7.558 7.540 0.018 19221 12448 1 13 . 1 1 62 62 ILE N N 62 113.140 113.140 114.647 -1.507 19221 12449 1 13 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.624 -0.037 19221 12450 1 13 . 1 1 62 62 ILE C C 62 176.843 176.843 176.964 -0.121 19221 12451 1 13 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.540 0.250 19221 12452 1 13 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.635 -0.265 19221 12453 1 13 . 1 1 62 62 ILE H H 62 7.235 7.235 7.665 -0.430 19221 12454 1 13 . 1 1 63 63 VAL N N 63 122.110 122.110 118.755 3.355 19221 12455 1 13 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.501 -0.155 19221 12456 1 13 . 1 1 63 63 VAL C C 63 175.165 175.165 175.677 -0.512 19221 12457 1 13 . 1 1 63 63 VAL CA C 63 64.440 64.440 64.226 0.214 19221 12458 1 13 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.232 -0.033 19221 12459 1 13 . 1 1 63 63 VAL H H 63 7.436 7.436 7.815 -0.379 19221 12460 1 13 . 1 1 64 64 ASN N N 64 116.810 116.810 115.320 1.490 19221 12461 1 13 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.746 0.035 19221 12462 1 13 . 1 1 64 64 ASN C C 64 174.101 174.101 173.886 0.215 19221 12463 1 13 . 1 1 64 64 ASN CA C 64 52.900 52.900 52.824 0.076 19221 12464 1 13 . 1 1 64 64 ASN CB C 64 38.779 38.779 39.587 -0.807 19221 12465 1 13 . 1 1 64 64 ASN H H 64 8.352 8.352 7.938 0.414 19221 12466 1 13 . 1 1 65 65 ASP N N 65 120.930 120.930 120.211 0.719 19221 12467 1 13 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.903 -0.023 19221 12468 1 13 . 1 1 65 65 ASP C C 65 177.534 177.534 176.500 1.034 19221 12469 1 13 . 1 1 65 65 ASP CA C 65 53.170 53.170 53.319 -0.149 19221 12470 1 13 . 1 1 65 65 ASP CB C 65 43.100 43.100 43.028 0.072 19221 12471 1 13 . 1 1 65 65 ASP H H 65 7.453 7.453 7.622 -0.169 19221 12472 1 13 . 1 1 66 66 SER HA H 66 4.356 4.356 4.118 0.238 19221 12473 1 13 . 1 1 66 66 SER C C 66 176.310 176.310 175.722 0.588 19221 12474 1 13 . 1 1 66 66 SER CA C 66 61.350 61.350 60.886 0.464 19221 12475 1 13 . 1 1 66 66 SER CB C 66 63.120 63.120 63.274 -0.154 19221 12476 1 13 . 1 1 66 66 SER H H 66 7.010 7.010 8.824 -1.814 19221 12477 1 13 . 1 1 67 67 ASN N N 67 120.050 120.050 119.813 0.237 19221 12478 1 13 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.339 0.266 19221 12479 1 13 . 1 1 67 67 ASN C C 67 176.107 176.107 176.015 0.092 19221 12480 1 13 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.776 -0.206 19221 12481 1 13 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.703 -0.103 19221 12482 1 13 . 1 1 67 67 ASN H H 67 9.014 9.014 8.498 0.516 19221 12483 1 13 . 1 1 68 68 TYR N N 68 114.840 114.840 112.179 2.661 19221 12484 1 13 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.186 0.333 19221 12485 1 13 . 1 1 68 68 TYR C C 68 175.709 175.709 175.975 -0.266 19221 12486 1 13 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.734 0.876 19221 12487 1 13 . 1 1 68 68 TYR CB C 68 39.750 39.750 39.391 0.359 19221 12488 1 13 . 1 1 68 68 TYR H H 68 8.276 8.276 8.101 0.175 19221 12489 1 13 . 1 1 69 69 ASP N N 69 122.810 122.810 122.673 0.137 19221 12490 1 13 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.459 -0.007 19221 12491 1 13 . 1 1 69 69 ASP C C 69 178.371 178.371 177.699 0.672 19221 12492 1 13 . 1 1 69 69 ASP CA C 69 58.630 58.630 57.998 0.632 19221 12493 1 13 . 1 1 69 69 ASP CB C 69 40.630 40.630 41.190 -0.560 19221 12494 1 13 . 1 1 69 69 ASP H H 69 7.806 7.806 8.630 -0.824 19221 12495 1 13 . 1 1 70 70 TRP N N 70 117.270 117.270 117.973 -0.703 19221 12496 1 13 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.467 -0.303 19221 12497 1 13 . 1 1 70 70 TRP C C 70 176.090 176.090 177.539 -1.449 19221 12498 1 13 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.195 -0.665 19221 12499 1 13 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.404 -0.854 19221 12500 1 13 . 1 1 70 70 TRP H H 70 8.172 8.172 7.715 0.457 19221 12501 1 13 . 1 1 71 71 LEU N N 71 125.263 125.263 121.756 3.507 19221 12502 1 13 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.754 -0.514 19221 12503 1 13 . 1 1 71 71 LEU C C 71 178.306 178.306 178.407 -0.101 19221 12504 1 13 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.083 0.527 19221 12505 1 13 . 1 1 71 71 LEU CB C 71 41.190 41.190 41.047 0.143 19221 12506 1 13 . 1 1 71 71 LEU H H 71 6.251 6.251 6.699 -0.449 19221 12507 1 13 . 1 1 72 72 PHE N N 72 117.630 117.630 119.977 -2.347 19221 12508 1 13 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.966 -0.153 19221 12509 1 13 . 1 1 72 72 PHE C C 72 178.797 178.797 177.174 1.623 19221 12510 1 13 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.406 1.165 19221 12511 1 13 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.837 -0.028 19221 12512 1 13 . 1 1 72 72 PHE H H 72 6.996 6.996 7.907 -0.911 19221 12513 1 13 . 1 1 73 73 GLN N N 73 117.950 117.950 117.673 0.277 19221 12514 1 13 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.639 0.427 19221 12515 1 13 . 1 1 73 73 GLN C C 73 179.341 179.341 178.205 1.136 19221 12516 1 13 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.879 0.211 19221 12517 1 13 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.695 -0.445 19221 12518 1 13 . 1 1 73 73 GLN H H 73 8.415 8.415 8.458 -0.043 19221 12519 1 13 . 1 1 74 74 LEU N N 74 122.275 122.275 122.609 -0.334 19221 12520 1 13 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.061 0.009 19221 12521 1 13 . 1 1 74 74 LEU C C 74 177.889 177.889 178.166 -0.277 19221 12522 1 13 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.735 0.835 19221 12523 1 13 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.751 0.429 19221 12524 1 13 . 1 1 74 74 LEU H H 74 8.365 8.365 7.776 0.589 19221 12525 1 13 . 1 1 75 75 LEU N N 75 118.123 118.123 119.387 -1.264 19221 12526 1 13 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.486 0.241 19221 12527 1 13 . 1 1 75 75 LEU C C 75 180.172 180.172 178.799 1.373 19221 12528 1 13 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.362 0.091 19221 12529 1 13 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.011 1.329 19221 12530 1 13 . 1 1 75 75 LEU H H 75 8.210 8.210 8.638 -0.428 19221 12531 1 13 . 1 1 76 76 ASN N N 76 117.960 117.960 117.623 0.337 19221 12532 1 13 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.079 0.296 19221 12533 1 13 . 1 1 76 76 ASN C C 76 176.582 176.582 176.970 -0.388 19221 12534 1 13 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.077 0.883 19221 12535 1 13 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.747 1.203 19221 12536 1 13 . 1 1 76 76 ASN H H 76 8.363 8.363 8.124 0.239 19221 12537 1 13 . 1 1 77 77 ALA N N 77 121.740 121.740 122.399 -0.659 19221 12538 1 13 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.011 0.156 19221 12539 1 13 . 1 1 77 77 ALA C C 77 179.988 179.988 179.893 0.095 19221 12540 1 13 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.958 0.602 19221 12541 1 13 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.296 -0.966 19221 12542 1 13 . 1 1 77 77 ALA H H 77 8.385 8.385 8.034 0.351 19221 12543 1 13 . 1 1 78 78 LEU N N 78 116.550 116.550 117.848 -1.298 19221 12544 1 13 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.765 -0.112 19221 12545 1 13 . 1 1 78 78 LEU C C 78 177.576 177.576 178.923 -1.347 19221 12546 1 13 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.700 1.284 19221 12547 1 13 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.902 0.108 19221 12548 1 13 . 1 1 78 78 LEU H H 78 7.965 7.965 8.224 -0.259 19221 12549 1 13 . 1 1 79 79 THR N N 79 113.220 113.220 113.393 -0.173 19221 12550 1 13 . 1 1 79 79 THR HA H 79 3.807 3.807 4.015 -0.208 19221 12551 1 13 . 1 1 79 79 THR C C 79 176.163 176.163 176.200 -0.037 19221 12552 1 13 . 1 1 79 79 THR CA C 79 66.980 66.980 65.675 1.305 19221 12553 1 13 . 1 1 79 79 THR CB C 79 69.240 69.240 69.101 0.139 19221 12554 1 13 . 1 1 79 79 THR H H 79 7.565 7.565 7.672 -0.107 19221 12555 1 13 . 1 1 80 80 VAL N N 80 110.800 110.800 114.166 -3.366 19221 12556 1 13 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.148 0.361 19221 12557 1 13 . 1 1 80 80 VAL C C 80 176.751 176.751 177.062 -0.311 19221 12558 1 13 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.301 -1.411 19221 12559 1 13 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.571 0.434 19221 12560 1 13 . 1 1 80 80 VAL H H 80 7.792 7.792 7.817 -0.025 19221 12561 1 13 . 1 1 81 81 GLY N N 81 112.910 112.910 109.662 3.248 19221 12562 1 13 . 1 1 81 81 GLY C C 81 173.874 173.874 174.299 -0.425 19221 12563 1 13 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.814 1.466 19221 12564 1 13 . 1 1 81 81 GLY H H 81 7.506 7.506 7.540 -0.034 19221 12565 1 13 . 1 1 82 82 ASP N N 82 119.112 119.112 121.083 -1.971 19221 12566 1 13 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.694 0.146 19221 12567 1 13 . 1 1 82 82 ASP C C 82 175.706 175.706 176.308 -0.602 19221 12568 1 13 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.925 -0.005 19221 12569 1 13 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.553 0.397 19221 12570 1 13 . 1 1 82 82 ASP H H 82 8.254 8.254 7.867 0.387 19221 12571 1 13 . 1 1 83 83 PHE N N 83 123.870 123.870 123.231 0.639 19221 12572 1 13 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.178 -0.350 19221 12573 1 13 . 1 1 83 83 PHE C C 83 177.950 177.950 176.974 0.976 19221 12574 1 13 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.816 1.754 19221 12575 1 13 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.333 0.787 19221 12576 1 13 . 1 1 83 83 PHE H H 83 8.025 8.025 7.962 0.063 19221 12577 1 13 . 1 1 84 84 ASP N N 84 119.583 119.583 120.648 -1.065 19221 12578 1 13 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.461 0.061 19221 12579 1 13 . 1 1 84 84 ASP C C 84 179.005 179.005 178.631 0.374 19221 12580 1 13 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.319 0.341 19221 12581 1 13 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.728 -0.168 19221 12582 1 13 . 1 1 84 84 ASP H H 84 8.464 8.464 7.410 1.054 19221 12583 1 13 . 1 1 85 85 LYS N N 85 122.200 122.200 119.865 2.335 19221 12584 1 13 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.062 0.030 19221 12585 1 13 . 1 1 85 85 LYS C C 85 178.580 178.580 179.078 -0.498 19221 12586 1 13 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.606 -0.356 19221 12587 1 13 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.174 0.136 19221 12588 1 13 . 1 1 85 85 LYS H H 85 8.009 8.009 8.313 -0.304 19221 12589 1 13 . 1 1 86 86 PHE N N 86 118.590 118.590 121.329 -2.739 19221 12590 1 13 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.096 -0.260 19221 12591 1 13 . 1 1 86 86 PHE C C 86 175.649 175.649 176.686 -1.037 19221 12592 1 13 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.609 0.801 19221 12593 1 13 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.989 1.091 19221 12594 1 13 . 1 1 86 86 PHE H H 86 8.331 8.331 8.800 -0.469 19221 12595 1 13 . 1 1 87 87 ASP N N 87 117.790 117.790 119.389 -1.599 19221 12596 1 13 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.080 0.118 19221 12597 1 13 . 1 1 87 87 ASP C C 87 178.542 178.542 178.535 0.007 19221 12598 1 13 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.724 0.116 19221 12599 1 13 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.626 1.264 19221 12600 1 13 . 1 1 87 87 ASP H H 87 8.560 8.560 8.714 -0.154 19221 12601 1 13 . 1 1 88 88 SER N N 88 112.940 112.940 115.551 -2.611 19221 12602 1 13 . 1 1 88 88 SER HA H 88 4.153 4.153 4.255 -0.102 19221 12603 1 13 . 1 1 88 88 SER C C 88 176.823 176.823 175.867 0.956 19221 12604 1 13 . 1 1 88 88 SER CA C 88 61.590 61.590 61.859 -0.269 19221 12605 1 13 . 1 1 88 88 SER CB C 88 63.085 63.085 63.169 -0.084 19221 12606 1 13 . 1 1 88 88 SER H H 88 7.757 7.757 8.098 -0.341 19221 12607 1 13 . 1 1 89 89 LEU N N 89 121.710 121.710 121.562 0.148 19221 12608 1 13 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.195 -0.027 19221 12609 1 13 . 1 1 89 89 LEU C C 89 180.006 180.006 178.039 1.967 19221 12610 1 13 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.708 0.122 19221 12611 1 13 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.224 1.156 19221 12612 1 13 . 1 1 89 89 LEU H H 89 8.173 8.173 7.350 0.823 19221 12613 1 13 . 1 1 90 90 ILE N N 90 119.830 119.830 120.974 -1.144 19221 12614 1 13 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.422 0.123 19221 12615 1 13 . 1 1 90 90 ILE C C 90 177.083 177.083 178.467 -1.384 19221 12616 1 13 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.734 -1.824 19221 12617 1 13 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.502 -0.422 19221 12618 1 13 . 1 1 90 90 ILE H H 90 8.424 8.424 8.446 -0.022 19221 12619 1 13 . 1 1 91 91 LYS N N 91 117.980 117.980 117.772 0.208 19221 12620 1 13 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.971 -0.070 19221 12621 1 13 . 1 1 91 91 LYS C C 91 178.803 178.803 178.173 0.630 19221 12622 1 13 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.184 0.326 19221 12623 1 13 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.279 0.481 19221 12624 1 13 . 1 1 91 91 LYS H H 91 7.569 7.569 8.127 -0.558 19221 12625 1 13 . 1 1 92 92 VAL N N 92 115.450 115.450 118.475 -3.025 19221 12626 1 13 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.963 -0.035 19221 12627 1 13 . 1 1 92 92 VAL C C 92 177.767 177.767 177.436 0.331 19221 12628 1 13 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.319 -0.769 19221 12629 1 13 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.910 -0.120 19221 12630 1 13 . 1 1 92 92 VAL H H 92 7.432 7.432 7.716 -0.284 19221 12631 1 13 . 1 1 93 93 GLN N N 93 117.250 117.250 119.569 -2.319 19221 12632 1 13 . 1 1 93 93 GLN HA H 93 3.997 3.997 4.012 -0.015 19221 12633 1 13 . 1 1 93 93 GLN C C 93 178.756 178.756 178.959 -0.203 19221 12634 1 13 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.043 -0.483 19221 12635 1 13 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.483 0.187 19221 12636 1 13 . 1 1 93 93 GLN H H 93 8.127 8.127 8.603 -0.476 19221 12637 1 13 . 1 1 94 94 ILE N N 94 118.013 118.013 119.923 -1.910 19221 12638 1 13 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.796 -0.156 19221 12639 1 13 . 1 1 94 94 ILE C C 94 176.252 176.252 178.788 -2.536 19221 12640 1 13 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.423 1.557 19221 12641 1 13 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.869 0.261 19221 12642 1 13 . 1 1 94 94 ILE H H 94 8.390 8.390 7.787 0.603 19221 12643 1 13 . 1 1 95 95 SER N N 95 112.220 112.220 116.430 -4.210 19221 12644 1 13 . 1 1 95 95 SER HA H 95 4.158 4.158 4.152 0.006 19221 12645 1 13 . 1 1 95 95 SER C C 95 174.893 174.893 175.906 -1.013 19221 12646 1 13 . 1 1 95 95 SER CA C 95 59.890 59.890 61.109 -1.219 19221 12647 1 13 . 1 1 95 95 SER CB C 95 63.170 63.170 62.965 0.205 19221 12648 1 13 . 1 1 95 95 SER H H 95 7.227 7.227 8.126 -0.899 19221 12649 1 13 . 1 1 96 96 LYS N N 96 119.000 119.000 118.566 0.434 19221 12650 1 13 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.168 0.157 19221 12651 1 13 . 1 1 96 96 LYS C C 96 175.903 175.903 176.154 -0.251 19221 12652 1 13 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.238 -0.638 19221 12653 1 13 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.127 0.813 19221 12654 1 13 . 1 1 96 96 LYS H H 96 7.250 7.250 7.668 -0.418 19221 12655 1 13 . 1 1 97 97 ILE N N 97 120.530 120.530 120.623 -0.093 19221 12656 1 13 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.567 0.032 19221 12657 1 13 . 1 1 97 97 ILE C C 97 173.784 173.784 174.158 -0.374 19221 12658 1 13 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.870 -0.458 19221 12659 1 13 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.022 -2.462 19221 12660 1 13 . 1 1 97 97 ILE H H 97 7.713 7.713 7.427 0.286 19221 12661 1 13 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.364 -0.071 19221 12662 1 13 . 1 1 98 98 PRO C C 98 178.885 178.885 178.665 0.220 19221 12663 1 13 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.481 0.839 19221 12664 1 13 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.135 0.135 19221 12665 1 13 . 1 1 99 99 ILE N N 99 115.600 115.600 118.707 -3.107 19221 12666 1 13 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.950 0.342 19221 12667 1 13 . 1 1 99 99 ILE C C 99 177.025 177.025 177.535 -0.510 19221 12668 1 13 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.705 -0.925 19221 12669 1 13 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.914 0.166 19221 12670 1 13 . 1 1 99 99 ILE H H 99 8.552 8.552 7.995 0.557 19221 12671 1 13 . 1 1 100 100 LEU N N 100 119.430 119.430 120.905 -1.475 19221 12672 1 13 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.092 0.131 19221 12673 1 13 . 1 1 100 100 LEU C C 100 178.223 178.223 179.482 -1.259 19221 12674 1 13 . 1 1 100 100 LEU CA C 100 57.110 57.110 58.012 -0.902 19221 12675 1 13 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.277 0.943 19221 12676 1 13 . 1 1 100 100 LEU H H 100 7.404 7.404 7.673 -0.269 19221 12677 1 13 . 1 1 101 101 ALA N N 101 121.390 121.390 121.299 0.091 19221 12678 1 13 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.995 -0.078 19221 12679 1 13 . 1 1 101 101 ALA C C 101 181.827 181.827 180.137 1.690 19221 12680 1 13 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.929 0.481 19221 12681 1 13 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.165 -0.215 19221 12682 1 13 . 1 1 101 101 ALA H H 101 7.839 7.839 8.248 -0.409 19221 12683 1 13 . 1 1 102 102 GLN N N 102 115.470 115.470 115.905 -0.435 19221 12684 1 13 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.071 0.006 19221 12685 1 13 . 1 1 102 102 GLN C C 102 176.572 176.572 176.944 -0.372 19221 12686 1 13 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.935 -0.355 19221 12687 1 13 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.052 -0.422 19221 12688 1 13 . 1 1 102 102 GLN H H 102 8.276 8.276 7.735 0.541 19221 12689 1 13 . 1 1 103 103 HIS N N 103 115.980 115.980 115.256 0.724 19221 12690 1 13 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.986 0.138 19221 12691 1 13 . 1 1 103 103 HIS C C 103 175.326 175.326 174.941 0.385 19221 12692 1 13 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.845 1.505 19221 12693 1 13 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.747 1.243 19221 12694 1 13 . 1 1 103 103 HIS H H 103 7.450 7.450 7.754 -0.304 19221 12695 1 13 . 1 1 104 104 GLU N N 104 122.920 122.920 121.997 0.923 19221 12696 1 13 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.986 -0.173 19221 12697 1 13 . 1 1 104 104 GLU C C 104 177.960 177.960 177.918 0.042 19221 12698 1 13 . 1 1 104 104 GLU CA C 104 61.510 61.510 61.103 0.407 19221 12699 1 13 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.719 -0.219 19221 12700 1 13 . 1 1 104 104 GLU H H 104 7.332 7.332 7.762 -0.430 19221 12701 1 13 . 1 1 105 105 SER N N 105 113.180 113.180 114.523 -1.343 19221 12702 1 13 . 1 1 105 105 SER HA H 105 4.234 4.234 4.371 -0.137 19221 12703 1 13 . 1 1 105 105 SER C C 105 177.512 177.512 176.836 0.676 19221 12704 1 13 . 1 1 105 105 SER CA C 105 62.100 62.100 60.759 1.341 19221 12705 1 13 . 1 1 105 105 SER CB C 105 62.100 62.100 62.920 -0.820 19221 12706 1 13 . 1 1 105 105 SER H H 105 8.931 8.931 8.657 0.274 19221 12707 1 13 . 1 1 106 106 PHE N N 106 123.770 123.770 122.419 1.351 19221 12708 1 13 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.400 0.027 19221 12709 1 13 . 1 1 106 106 PHE C C 106 178.007 178.007 177.488 0.519 19221 12710 1 13 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.488 -0.098 19221 12711 1 13 . 1 1 106 106 PHE CB C 106 39.130 39.130 38.812 0.319 19221 12712 1 13 . 1 1 106 106 PHE H H 106 8.040 8.040 8.112 -0.072 19221 12713 1 13 . 1 1 107 107 LEU N N 107 121.397 121.397 120.439 0.958 19221 12714 1 13 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.115 -0.109 19221 12715 1 13 . 1 1 107 107 LEU C C 107 178.165 178.165 179.379 -1.214 19221 12716 1 13 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.176 0.104 19221 12717 1 13 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.593 0.576 19221 12718 1 13 . 1 1 107 107 LEU H H 107 8.481 8.481 8.691 -0.210 19221 12719 1 13 . 1 1 108 108 ARG N N 108 117.450 117.450 118.660 -1.210 19221 12720 1 13 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.098 0.041 19221 12721 1 13 . 1 1 108 108 ARG C C 108 178.343 178.343 178.271 0.072 19221 12722 1 13 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.921 -0.341 19221 12723 1 13 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.669 -0.499 19221 12724 1 13 . 1 1 108 108 ARG H H 108 8.480 8.480 8.684 -0.204 19221 12725 1 13 . 1 1 109 109 GLN N N 109 119.098 119.098 119.897 -0.799 19221 12726 1 13 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.091 -0.016 19221 12727 1 13 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.098 0.197 19221 12728 1 13 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.509 0.999 19221 12729 1 13 . 1 1 109 109 GLN H H 109 7.886 7.886 7.793 0.093 19221 12730 1 13 . 1 1 110 110 LYS N N 110 121.110 121.110 120.140 0.970 19221 12731 1 13 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.152 -0.164 19221 12732 1 13 . 1 1 110 110 LYS C C 110 178.368 178.368 179.073 -0.705 19221 12733 1 13 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.939 2.611 19221 12734 1 13 . 1 1 110 110 LYS CB C 110 30.260 30.260 32.160 -1.900 19221 12735 1 13 . 1 1 110 110 LYS H H 110 8.356 8.356 8.355 0.001 19221 12736 1 13 . 1 1 111 111 ILE N N 111 116.870 116.870 120.432 -3.562 19221 12737 1 13 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.871 0.027 19221 12738 1 13 . 1 1 111 111 ILE C C 111 178.036 178.036 177.344 0.692 19221 12739 1 13 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.163 0.938 19221 12740 1 13 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.643 -0.728 19221 12741 1 13 . 1 1 111 111 ILE H H 111 7.848 7.848 8.325 -0.477 19221 12742 1 13 . 1 1 112 112 CYS N N 112 123.990 123.990 118.924 5.066 19221 12743 1 13 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.082 -0.001 19221 12744 1 13 . 1 1 112 112 CYS C C 112 176.276 176.276 176.725 -0.449 19221 12745 1 13 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.790 1.610 19221 12746 1 13 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.509 -0.139 19221 12747 1 13 . 1 1 112 112 CYS H H 112 7.473 7.473 7.580 -0.107 19221 12748 1 13 . 1 1 113 113 LEU N N 113 120.218 120.218 121.702 -1.484 19221 12749 1 13 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.761 0.082 19221 12750 1 13 . 1 1 113 113 LEU C C 113 178.584 178.584 178.985 -0.401 19221 12751 1 13 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.697 -0.177 19221 12752 1 13 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.650 0.900 19221 12753 1 13 . 1 1 113 113 LEU H H 113 8.443 8.443 8.592 -0.149 19221 12754 1 13 . 1 1 114 114 MET N N 114 116.910 116.910 117.593 -0.683 19221 12755 1 13 . 1 1 114 114 MET HA H 114 3.952 3.952 4.296 -0.344 19221 12756 1 13 . 1 1 114 114 MET C C 114 178.724 178.724 178.378 0.346 19221 12757 1 13 . 1 1 114 114 MET CA C 114 60.070 60.070 59.380 0.690 19221 12758 1 13 . 1 1 114 114 MET CB C 114 32.910 32.910 32.737 0.173 19221 12759 1 13 . 1 1 114 114 MET H H 114 8.840 8.840 8.598 0.242 19221 12760 1 13 . 1 1 115 115 THR N N 115 115.670 115.670 117.553 -1.883 19221 12761 1 13 . 1 1 115 115 THR HA H 115 4.083 4.083 3.954 0.129 19221 12762 1 13 . 1 1 115 115 THR C C 115 177.434 177.434 176.337 1.097 19221 12763 1 13 . 1 1 115 115 THR CA C 115 66.740 66.740 67.184 -0.444 19221 12764 1 13 . 1 1 115 115 THR CB C 115 68.630 68.630 68.712 -0.082 19221 12765 1 13 . 1 1 115 115 THR H H 115 8.095 8.095 8.257 -0.162 19221 12766 1 13 . 1 1 116 116 LEU N N 116 125.420 125.420 123.237 2.183 19221 12767 1 13 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.006 -0.151 19221 12768 1 13 . 1 1 116 116 LEU C C 116 176.903 176.903 178.048 -1.145 19221 12769 1 13 . 1 1 116 116 LEU CA C 116 58.936 58.936 57.966 0.970 19221 12770 1 13 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.285 0.391 19221 12771 1 13 . 1 1 116 116 LEU H H 116 8.164 8.164 7.676 0.488 19221 12772 1 13 . 1 1 117 117 ILE N N 117 114.740 114.740 119.395 -4.655 19221 12773 1 13 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.461 0.158 19221 12774 1 13 . 1 1 117 117 ILE C C 117 177.806 177.806 178.048 -0.242 19221 12775 1 13 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.880 -1.290 19221 12776 1 13 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.479 -1.119 19221 12777 1 13 . 1 1 117 117 ILE H H 117 8.032 8.032 8.138 -0.106 19221 12778 1 13 . 1 1 118 118 GLU N N 118 121.200 121.200 120.682 0.518 19221 12779 1 13 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.266 -0.066 19221 12780 1 13 . 1 1 118 118 GLU C C 118 178.314 178.314 179.041 -0.727 19221 12781 1 13 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.864 0.116 19221 12782 1 13 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.843 -0.463 19221 12783 1 13 . 1 1 118 118 GLU H H 118 8.176 8.176 8.776 -0.600 19221 12784 1 13 . 1 1 119 119 THR N N 119 114.460 114.460 117.563 -3.103 19221 12785 1 13 . 1 1 119 119 THR HA H 119 3.917 3.917 4.021 -0.104 19221 12786 1 13 . 1 1 119 119 THR C C 119 175.551 175.551 176.936 -1.385 19221 12787 1 13 . 1 1 119 119 THR CA C 119 67.470 67.470 67.435 0.035 19221 12788 1 13 . 1 1 119 119 THR CB C 119 69.110 69.110 68.528 0.582 19221 12789 1 13 . 1 1 119 119 THR H H 119 8.008 8.008 8.172 -0.164 19221 12790 1 13 . 1 1 120 120 VAL N N 120 118.050 118.050 121.809 -3.759 19221 12791 1 13 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.673 -0.053 19221 12792 1 13 . 1 1 120 120 VAL C C 120 178.213 178.213 177.618 0.595 19221 12793 1 13 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.382 -0.363 19221 12794 1 13 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.629 0.201 19221 12795 1 13 . 1 1 120 120 VAL H H 120 7.800 7.800 8.187 -0.387 19221 12796 1 13 . 1 1 121 121 PHE N N 121 118.360 118.360 121.214 -2.854 19221 12797 1 13 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.193 0.027 19221 12798 1 13 . 1 1 121 121 PHE C C 121 178.739 178.739 177.772 0.967 19221 12799 1 13 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.198 0.342 19221 12800 1 13 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.154 0.976 19221 12801 1 13 . 1 1 121 121 PHE H H 121 8.370 8.370 8.043 0.327 19221 12802 1 13 . 1 1 122 122 VAL N N 122 118.710 118.710 120.108 -1.398 19221 12803 1 13 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.409 0.216 19221 12804 1 13 . 1 1 122 122 VAL C C 122 178.247 178.247 177.428 0.819 19221 12805 1 13 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.651 0.199 19221 12806 1 13 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.362 0.519 19221 12807 1 13 . 1 1 122 122 VAL H H 122 8.959 8.959 8.717 0.242 19221 12808 1 13 . 1 1 123 123 LYS N N 123 115.960 115.960 116.314 -0.354 19221 12809 1 13 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.256 0.060 19221 12810 1 13 . 1 1 123 123 LYS C C 123 176.148 176.148 175.842 0.306 19221 12811 1 13 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.788 0.742 19221 12812 1 13 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.226 -0.196 19221 12813 1 13 . 1 1 123 123 LYS H H 123 7.688 7.688 7.832 -0.144 19221 12814 1 13 . 1 1 124 124 ASN N N 124 117.440 117.440 116.846 0.594 19221 12815 1 13 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.406 -0.062 19221 12816 1 13 . 1 1 124 124 ASN C C 124 174.205 174.205 174.044 0.161 19221 12817 1 13 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.812 0.108 19221 12818 1 13 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.197 -0.127 19221 12819 1 13 . 1 1 124 124 ASN H H 124 7.560 7.560 7.586 -0.026 19221 12820 1 13 . 1 1 125 125 ILE N N 125 116.780 116.780 116.756 0.024 19221 12821 1 13 . 1 1 125 125 ILE HA H 125 4.110 4.110 3.986 0.124 19221 12822 1 13 . 1 1 125 125 ILE C C 125 175.909 175.909 176.443 -0.534 19221 12823 1 13 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.759 -0.189 19221 12824 1 13 . 1 1 125 125 ILE CB C 125 39.970 39.970 37.153 2.817 19221 12825 1 13 . 1 1 125 125 ILE H H 125 7.658 7.658 7.397 0.261 19221 12826 1 13 . 1 1 126 126 ARG N N 126 122.400 122.400 124.008 -1.608 19221 12827 1 13 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.387 0.244 19221 12828 1 13 . 1 1 126 126 ARG C C 126 175.296 175.296 176.261 -0.965 19221 12829 1 13 . 1 1 126 126 ARG CA C 126 55.210 55.210 56.258 -1.048 19221 12830 1 13 . 1 1 126 126 ARG CB C 126 31.217 31.217 30.967 0.250 19221 12831 1 13 . 1 1 126 126 ARG H H 126 8.658 8.658 8.723 -0.065 19221 12832 1 13 . 1 1 127 127 MET N N 127 119.870 119.870 117.764 2.106 19221 12833 1 13 . 1 1 127 127 MET HA H 127 5.412 5.412 5.240 0.172 19221 12834 1 13 . 1 1 127 127 MET C C 127 174.169 174.169 174.244 -0.075 19221 12835 1 13 . 1 1 127 127 MET CA C 127 55.130 55.130 54.380 0.750 19221 12836 1 13 . 1 1 127 127 MET CB C 127 35.300 35.300 35.328 -0.028 19221 12837 1 13 . 1 1 127 127 MET H H 127 7.487 7.487 7.565 -0.078 19221 12838 1 13 . 1 1 128 128 LEU N N 128 124.940 124.940 124.533 0.407 19221 12839 1 13 . 1 1 128 128 LEU HA H 128 4.890 4.890 5.005 -0.115 19221 12840 1 13 . 1 1 128 128 LEU C C 128 174.857 174.857 175.151 -0.294 19221 12841 1 13 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.473 0.697 19221 12842 1 13 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.112 -1.022 19221 12843 1 13 . 1 1 128 128 LEU H H 128 8.961 8.961 8.740 0.221 19221 12844 1 13 . 1 1 129 129 SER N N 129 119.080 119.080 114.637 4.443 19221 12845 1 13 . 1 1 129 129 SER HA H 129 5.503 5.503 5.302 0.201 19221 12846 1 13 . 1 1 129 129 SER C C 129 176.225 176.225 176.022 0.203 19221 12847 1 13 . 1 1 129 129 SER CA C 129 56.630 56.630 56.982 -0.352 19221 12848 1 13 . 1 1 129 129 SER CB C 129 66.030 66.030 65.130 0.900 19221 12849 1 13 . 1 1 129 129 SER H H 129 9.512 9.512 8.198 1.314 19221 12850 1 13 . 1 1 130 130 PHE N N 130 120.530 120.530 122.208 -1.678 19221 12851 1 13 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.096 0.344 19221 12852 1 13 . 1 1 130 130 PHE C C 130 179.046 179.046 177.726 1.320 19221 12853 1 13 . 1 1 130 130 PHE CA C 130 58.730 58.730 61.047 -2.317 19221 12854 1 13 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.180 -1.660 19221 12855 1 13 . 1 1 130 130 PHE H H 130 8.712 8.712 9.289 -0.577 19221 12856 1 13 . 1 1 131 131 GLU N N 131 121.180 121.180 119.931 1.249 19221 12857 1 13 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.819 0.206 19221 12858 1 13 . 1 1 131 131 GLU C C 131 178.039 178.039 178.049 -0.010 19221 12859 1 13 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.092 -0.222 19221 12860 1 13 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.407 0.062 19221 12861 1 13 . 1 1 131 131 GLU H H 131 8.961 8.961 8.604 0.357 19221 12862 1 13 . 1 1 132 132 ASP N N 132 120.930 120.930 119.618 1.312 19221 12863 1 13 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.436 -0.039 19221 12864 1 13 . 1 1 132 132 ASP C C 132 180.369 180.369 178.778 1.591 19221 12865 1 13 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.093 0.597 19221 12866 1 13 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.837 -0.097 19221 12867 1 13 . 1 1 132 132 ASP H H 132 8.369 8.369 7.898 0.471 19221 12868 1 13 . 1 1 133 133 ILE N N 133 120.360 120.360 119.606 0.754 19221 12869 1 13 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.570 -0.061 19221 12870 1 13 . 1 1 133 133 ILE C C 133 178.895 178.895 177.985 0.910 19221 12871 1 13 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.679 0.601 19221 12872 1 13 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.728 -0.198 19221 12873 1 13 . 1 1 133 133 ILE H H 133 8.062 8.062 8.248 -0.186 19221 12874 1 13 . 1 1 134 134 SER N N 134 120.050 120.050 117.175 2.875 19221 12875 1 13 . 1 1 134 134 SER HA H 134 4.074 4.074 4.181 -0.107 19221 12876 1 13 . 1 1 134 134 SER C C 134 176.934 176.934 176.283 0.651 19221 12877 1 13 . 1 1 134 134 SER CA C 134 61.240 61.240 61.539 -0.299 19221 12878 1 13 . 1 1 134 134 SER CB C 134 63.400 63.400 62.966 0.434 19221 12879 1 13 . 1 1 134 134 SER H H 134 8.823 8.823 8.341 0.482 19221 12880 1 13 . 1 1 135 135 LYS N N 135 119.060 119.060 120.790 -1.730 19221 12881 1 13 . 1 1 135 135 LYS HA H 135 3.930 3.930 4.000 -0.070 19221 12882 1 13 . 1 1 135 135 LYS C C 135 178.986 178.986 178.406 0.580 19221 12883 1 13 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.169 1.101 19221 12884 1 13 . 1 1 135 135 LYS CB C 135 32.470 32.470 31.794 0.676 19221 12885 1 13 . 1 1 135 135 LYS H H 135 8.258 8.258 8.070 0.188 19221 12886 1 13 . 1 1 136 136 ALA N N 136 118.350 118.350 119.591 -1.241 19221 12887 1 13 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.025 0.177 19221 12888 1 13 . 1 1 136 136 ALA C C 136 178.653 178.653 177.336 1.317 19221 12889 1 13 . 1 1 136 136 ALA CA C 136 54.480 54.480 53.657 0.823 19221 12890 1 13 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.068 -0.227 19221 12891 1 13 . 1 1 136 136 ALA H H 136 7.538 7.538 7.844 -0.306 19221 12892 1 13 . 1 1 137 137 THR N N 137 101.770 101.770 106.017 -4.247 19221 12893 1 13 . 1 1 137 137 THR HA H 137 4.274 4.274 4.282 -0.008 19221 12894 1 13 . 1 1 137 137 THR C C 137 172.932 172.932 174.799 -1.867 19221 12895 1 13 . 1 1 137 137 THR CA C 137 61.990 61.990 61.562 0.428 19221 12896 1 13 . 1 1 137 137 THR CB C 137 71.200 71.200 70.910 0.290 19221 12897 1 13 . 1 1 137 137 THR H H 137 7.777 7.777 7.123 0.654 19221 12898 1 13 . 1 1 138 138 HIS N N 138 113.660 113.660 115.625 -1.965 19221 12899 1 13 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.207 -0.248 19221 12900 1 13 . 1 1 138 138 HIS C C 138 173.700 173.700 174.143 -0.443 19221 12901 1 13 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.797 -1.467 19221 12902 1 13 . 1 1 138 138 HIS CB C 138 25.410 25.410 26.437 -1.027 19221 12903 1 13 . 1 1 138 138 HIS H H 138 7.567 7.567 8.292 -0.725 19221 12904 1 13 . 1 1 139 139 LEU N N 139 120.070 120.070 121.299 -1.229 19221 12905 1 13 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.739 0.104 19221 12906 1 13 . 1 1 139 139 LEU C C 139 174.376 174.376 175.991 -1.615 19221 12907 1 13 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.346 -0.476 19221 12908 1 13 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.018 2.732 19221 12909 1 13 . 1 1 139 139 LEU H H 139 7.513 7.513 7.414 0.099 19221 12910 1 13 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.629 -0.238 19221 12911 1 13 . 1 1 140 140 PRO C C 140 177.985 177.985 178.170 -0.185 19221 12912 1 13 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.429 -0.039 19221 12913 1 13 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.591 -0.521 19221 12914 1 13 . 1 1 141 141 LYS N N 141 123.930 123.930 120.513 3.417 19221 12915 1 13 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.867 -0.048 19221 12916 1 13 . 1 1 141 141 LYS C C 141 178.083 178.083 178.162 -0.079 19221 12917 1 13 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.369 0.461 19221 12918 1 13 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.158 -0.268 19221 12919 1 13 . 1 1 141 141 LYS H H 141 8.950 8.950 8.633 0.317 19221 12920 1 13 . 1 1 142 142 ASP N N 142 114.510 114.510 114.754 -0.244 19221 12921 1 13 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.558 -0.063 19221 12922 1 13 . 1 1 142 142 ASP C C 142 176.656 176.656 176.712 -0.056 19221 12923 1 13 . 1 1 142 142 ASP CA C 142 55.590 55.590 55.792 -0.202 19221 12924 1 13 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.888 -1.148 19221 12925 1 13 . 1 1 142 142 ASP H H 142 8.491 8.491 8.196 0.295 19221 12926 1 13 . 1 1 143 143 ASN N N 143 116.400 116.400 116.198 0.202 19221 12927 1 13 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.805 0.261 19221 12928 1 13 . 1 1 143 143 ASN C C 143 175.954 175.954 176.608 -0.654 19221 12929 1 13 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.954 -0.734 19221 12930 1 13 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.764 0.186 19221 12931 1 13 . 1 1 143 143 ASN H H 143 8.191 8.191 8.012 0.178 19221 12932 1 13 . 1 1 144 144 VAL N N 144 120.490 120.490 122.156 -1.666 19221 12933 1 13 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.579 -0.256 19221 12934 1 13 . 1 1 144 144 VAL C C 144 176.423 176.423 175.868 0.555 19221 12935 1 13 . 1 1 144 144 VAL CA C 144 66.990 66.990 65.162 1.828 19221 12936 1 13 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.852 -0.412 19221 12937 1 13 . 1 1 144 144 VAL H H 144 7.472 7.472 8.288 -0.816 19221 12938 1 13 . 1 1 145 145 GLU N N 145 122.340 122.340 119.320 3.020 19221 12939 1 13 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.438 -0.177 19221 12940 1 13 . 1 1 145 145 GLU C C 145 177.853 177.853 178.191 -0.338 19221 12941 1 13 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.304 1.526 19221 12942 1 13 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.450 0.360 19221 12943 1 13 . 1 1 145 145 GLU H H 145 9.141 9.141 8.132 1.009 19221 12944 1 13 . 1 1 146 146 HIS N N 146 116.970 116.970 117.898 -0.928 19221 12945 1 13 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.448 -0.274 19221 12946 1 13 . 1 1 146 146 HIS C C 146 177.947 177.947 177.622 0.325 19221 12947 1 13 . 1 1 146 146 HIS CA C 146 59.540 59.540 58.141 1.399 19221 12948 1 13 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.692 0.758 19221 12949 1 13 . 1 1 146 146 HIS H H 146 8.162 8.162 7.570 0.592 19221 12950 1 13 . 1 1 147 147 LEU N N 147 120.670 120.670 120.785 -0.115 19221 12951 1 13 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.186 -0.226 19221 12952 1 13 . 1 1 147 147 LEU C C 147 178.427 178.427 178.591 -0.164 19221 12953 1 13 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.854 0.416 19221 12954 1 13 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.512 0.224 19221 12955 1 13 . 1 1 147 147 LEU H H 147 7.336 7.336 7.550 -0.214 19221 12956 1 13 . 1 1 148 148 VAL N N 148 118.060 118.060 116.592 1.468 19221 12957 1 13 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.683 -0.460 19221 12958 1 13 . 1 1 148 148 VAL C C 148 177.801 177.801 178.150 -0.349 19221 12959 1 13 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.630 1.331 19221 12960 1 13 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.627 0.383 19221 12961 1 13 . 1 1 148 148 VAL H H 148 8.172 8.172 7.531 0.641 19221 12962 1 13 . 1 1 149 149 MET N N 149 117.770 117.770 120.137 -2.367 19221 12963 1 13 . 1 1 149 149 MET HA H 149 4.123 4.123 3.992 0.131 19221 12964 1 13 . 1 1 149 149 MET C C 149 179.823 179.823 178.472 1.351 19221 12965 1 13 . 1 1 149 149 MET CA C 149 58.630 58.630 59.559 -0.930 19221 12966 1 13 . 1 1 149 149 MET CB C 149 31.496 31.496 32.027 -0.531 19221 12967 1 13 . 1 1 149 149 MET H H 149 8.585 8.585 8.558 0.027 19221 12968 1 13 . 1 1 150 150 ARG N N 150 121.900 121.900 119.034 2.866 19221 12969 1 13 . 1 1 150 150 ARG HA H 150 4.094 4.094 3.950 0.144 19221 12970 1 13 . 1 1 150 150 ARG C C 150 177.928 177.928 178.351 -0.423 19221 12971 1 13 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.533 -1.383 19221 12972 1 13 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.861 -1.111 19221 12973 1 13 . 1 1 150 150 ARG H H 150 8.160 8.160 8.245 -0.085 19221 12974 1 13 . 1 1 151 151 ALA N N 151 121.710 121.710 122.057 -0.347 19221 12975 1 13 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.977 -0.179 19221 12976 1 13 . 1 1 151 151 ALA C C 151 179.518 179.518 179.467 0.051 19221 12977 1 13 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.120 0.620 19221 12978 1 13 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.346 -0.456 19221 12979 1 13 . 1 1 151 151 ALA H H 151 8.165 8.165 7.549 0.616 19221 12980 1 13 . 1 1 152 152 ILE N N 152 118.590 118.590 118.538 0.052 19221 12981 1 13 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.719 0.663 19221 12982 1 13 . 1 1 152 152 ILE C C 152 181.439 181.439 179.227 2.212 19221 12983 1 13 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.878 -0.318 19221 12984 1 13 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.924 0.776 19221 12985 1 13 . 1 1 152 152 ILE H H 152 8.331 8.331 7.859 0.472 19221 12986 1 13 . 1 1 153 153 SER N N 153 120.250 120.250 116.193 4.057 19221 12987 1 13 . 1 1 153 153 SER HA H 153 4.279 4.279 4.174 0.105 19221 12988 1 13 . 1 1 153 153 SER C C 153 176.745 176.745 176.333 0.412 19221 12989 1 13 . 1 1 153 153 SER CA C 153 62.040 62.040 60.974 1.066 19221 12990 1 13 . 1 1 153 153 SER CB C 153 62.930 62.930 63.225 -0.295 19221 12991 1 13 . 1 1 153 153 SER H H 153 8.756 8.756 8.241 0.515 19221 12992 1 13 . 1 1 154 154 LEU N N 154 119.480 119.480 118.670 0.810 19221 12993 1 13 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.178 0.167 19221 12994 1 13 . 1 1 154 154 LEU C C 154 177.351 177.351 177.338 0.013 19221 12995 1 13 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.531 -0.076 19221 12996 1 13 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.983 2.017 19221 12997 1 13 . 1 1 154 154 LEU H H 154 8.129 8.129 7.890 0.239 19221 12998 1 13 . 1 1 155 155 GLY N N 155 106.990 106.990 106.888 0.102 19221 12999 1 13 . 1 1 155 155 GLY C C 155 174.867 174.867 175.535 -0.668 19221 13000 1 13 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.382 -0.582 19221 13001 1 13 . 1 1 155 155 GLY H H 155 8.023 8.023 7.822 0.201 19221 13002 1 13 . 1 1 156 156 LEU N N 156 116.510 116.510 118.084 -1.574 19221 13003 1 13 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.207 0.053 19221 13004 1 13 . 1 1 156 156 LEU C C 156 175.387 175.387 176.064 -0.677 19221 13005 1 13 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.019 -0.089 19221 13006 1 13 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.276 0.944 19221 13007 1 13 . 1 1 156 156 LEU H H 156 8.101 8.101 7.506 0.595 19221 13008 1 13 . 1 1 157 157 LEU N N 157 112.790 112.790 111.097 1.693 19221 13009 1 13 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.065 -0.065 19221 13010 1 13 . 1 1 157 157 LEU C C 157 175.382 175.382 174.678 0.704 19221 13011 1 13 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.535 0.105 19221 13012 1 13 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.427 1.133 19221 13013 1 13 . 1 1 157 157 LEU H H 157 7.194 7.194 7.339 -0.145 19221 13014 1 13 . 1 1 158 158 LYS N N 158 121.010 121.010 119.678 1.332 19221 13015 1 13 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.744 0.051 19221 13016 1 13 . 1 1 158 158 LYS C C 158 175.461 175.461 175.429 0.032 19221 13017 1 13 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.632 0.429 19221 13018 1 13 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.290 1.900 19221 13019 1 13 . 1 1 158 158 LYS H H 158 9.056 9.056 8.643 0.413 19221 13020 1 13 . 1 1 159 159 GLY N N 159 109.800 109.800 111.181 -1.381 19221 13021 1 13 . 1 1 159 159 GLY C C 159 170.992 170.992 173.011 -2.019 19221 13022 1 13 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.110 1.030 19221 13023 1 13 . 1 1 159 159 GLY H H 159 8.287 8.287 8.123 0.164 19221 13024 1 13 . 1 1 160 160 SER N N 160 112.940 112.940 114.880 -1.940 19221 13025 1 13 . 1 1 160 160 SER HA H 160 4.780 4.780 4.741 0.039 19221 13026 1 13 . 1 1 160 160 SER C C 160 172.525 172.525 173.378 -0.853 19221 13027 1 13 . 1 1 160 160 SER CA C 160 56.840 56.840 57.436 -0.596 19221 13028 1 13 . 1 1 160 160 SER CB C 160 65.660 65.660 66.048 -0.388 19221 13029 1 13 . 1 1 160 160 SER H H 160 8.847 8.847 8.850 -0.003 19221 13030 1 13 . 1 1 161 161 ILE N N 161 123.020 123.020 124.100 -1.080 19221 13031 1 13 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.074 0.332 19221 13032 1 13 . 1 1 161 161 ILE C C 161 174.457 174.457 175.607 -1.150 19221 13033 1 13 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.665 -0.246 19221 13034 1 13 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.621 1.607 19221 13035 1 13 . 1 1 161 161 ILE H H 161 8.867 8.867 8.713 0.154 19221 13036 1 13 . 1 1 162 162 ASP N N 162 128.130 128.130 125.670 2.460 19221 13037 1 13 . 1 1 162 162 ASP HA H 162 4.916 4.916 5.011 -0.095 19221 13038 1 13 . 1 1 162 162 ASP C C 162 176.575 176.575 176.571 0.004 19221 13039 1 13 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.855 -1.115 19221 13040 1 13 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.903 0.237 19221 13041 1 13 . 1 1 162 162 ASP H H 162 8.955 8.955 8.720 0.235 19221 13042 1 13 . 1 1 163 163 GLN N N 163 123.480 123.480 119.482 3.998 19221 13043 1 13 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.575 0.278 19221 13044 1 13 . 1 1 163 163 GLN C C 163 177.627 177.627 176.831 0.796 19221 13045 1 13 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.406 0.804 19221 13046 1 13 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.239 0.681 19221 13047 1 13 . 1 1 163 163 GLN H H 163 8.982 8.982 8.675 0.307 19221 13048 1 13 . 1 1 164 164 VAL N N 164 119.220 119.220 119.198 0.022 19221 13049 1 13 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.719 -0.036 19221 13050 1 13 . 1 1 164 164 VAL C C 164 177.519 177.519 177.352 0.167 19221 13051 1 13 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.260 1.510 19221 13052 1 13 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.640 0.290 19221 13053 1 13 . 1 1 164 164 VAL H H 164 7.974 7.974 8.181 -0.207 19221 13054 1 13 . 1 1 165 165 ASN N N 165 114.430 114.430 116.728 -2.298 19221 13055 1 13 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.738 -0.137 19221 13056 1 13 . 1 1 165 165 ASN C C 165 172.795 172.795 174.222 -1.427 19221 13057 1 13 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.138 -0.238 19221 13058 1 13 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.022 -0.191 19221 13059 1 13 . 1 1 165 165 ASN H H 165 7.502 7.502 7.745 -0.243 19221 13060 1 13 . 1 1 166 166 GLU N N 166 116.970 116.970 113.789 3.181 19221 13061 1 13 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.999 -0.985 19221 13062 1 13 . 1 1 166 166 GLU C C 166 174.562 174.562 174.017 0.545 19221 13063 1 13 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.970 -0.742 19221 13064 1 13 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.434 -0.618 19221 13065 1 13 . 1 1 166 166 GLU H H 166 7.268 7.268 7.312 -0.044 19221 13066 1 13 . 1 1 167 167 LEU N N 167 117.360 117.360 117.443 -0.083 19221 13067 1 13 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.350 -0.352 19221 13068 1 13 . 1 1 167 167 LEU C C 167 175.659 175.659 175.882 -0.223 19221 13069 1 13 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.256 0.414 19221 13070 1 13 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.411 0.899 19221 13071 1 13 . 1 1 167 167 LEU H H 167 7.699 7.699 7.592 0.107 19221 13072 1 13 . 1 1 168 168 VAL N N 168 125.350 125.350 118.044 7.306 19221 13073 1 13 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.711 0.128 19221 13074 1 13 . 1 1 168 168 VAL C C 168 174.792 174.792 174.721 0.071 19221 13075 1 13 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.146 -0.016 19221 13076 1 13 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.192 -1.843 19221 13077 1 13 . 1 1 168 168 VAL H H 168 9.445 9.445 9.132 0.313 19221 13078 1 13 . 1 1 169 169 THR N N 169 123.020 123.020 121.621 1.399 19221 13079 1 13 . 1 1 169 169 THR HA H 169 4.869 4.869 5.238 -0.369 19221 13080 1 13 . 1 1 169 169 THR C C 169 173.876 173.876 173.455 0.421 19221 13081 1 13 . 1 1 169 169 THR CA C 169 61.580 61.580 61.374 0.206 19221 13082 1 13 . 1 1 169 169 THR CB C 169 69.750 69.750 70.205 -0.455 19221 13083 1 13 . 1 1 169 169 THR H H 169 8.824 8.824 9.035 -0.211 19221 13084 1 13 . 1 1 170 170 ILE N N 170 126.700 126.700 127.180 -0.480 19221 13085 1 13 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.539 0.003 19221 13086 1 13 . 1 1 170 170 ILE C C 170 175.672 175.672 175.820 -0.148 19221 13087 1 13 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.436 -0.106 19221 13088 1 13 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.179 -0.569 19221 13089 1 13 . 1 1 170 170 ILE H H 170 8.911 8.911 9.129 -0.218 19221 13090 1 13 . 1 1 171 171 SER N N 171 122.780 122.780 120.304 2.476 19221 13091 1 13 . 1 1 171 171 SER HA H 171 4.670 4.670 4.753 -0.083 19221 13092 1 13 . 1 1 171 171 SER C C 171 174.700 174.700 173.886 0.814 19221 13093 1 13 . 1 1 171 171 SER CA C 171 58.280 58.280 58.818 -0.538 19221 13094 1 13 . 1 1 171 171 SER CB C 171 64.560 64.560 65.129 -0.569 19221 13095 1 13 . 1 1 171 171 SER H H 171 9.242 9.242 9.250 -0.008 19221 13096 1 13 . 1 1 172 172 TRP N N 172 123.970 123.970 122.097 1.873 19221 13097 1 13 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.901 -0.266 19221 13098 1 13 . 1 1 172 172 TRP C C 172 172.618 172.618 173.787 -1.169 19221 13099 1 13 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.146 0.764 19221 13100 1 13 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.363 -0.713 19221 13101 1 13 . 1 1 172 172 TRP H H 172 7.929 7.929 7.682 0.247 19221 13102 1 13 . 1 1 173 173 VAL N N 173 123.660 123.660 122.317 1.343 19221 13103 1 13 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.191 -0.061 19221 13104 1 13 . 1 1 173 173 VAL C C 173 170.746 170.746 172.968 -2.222 19221 13105 1 13 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.604 -0.504 19221 13106 1 13 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.974 0.247 19221 13107 1 13 . 1 1 173 173 VAL H H 173 6.764 6.764 7.240 -0.476 19221 13108 1 13 . 1 1 174 174 GLN N N 174 126.430 126.430 126.036 0.394 19221 13109 1 13 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.856 -0.250 19221 13110 1 13 . 1 1 174 174 GLN C C 174 172.955 172.955 173.808 -0.853 19221 13111 1 13 . 1 1 174 174 GLN CA C 174 54.050 54.050 55.154 -1.104 19221 13112 1 13 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.070 1.690 19221 13113 1 13 . 1 1 174 174 GLN H H 174 7.071 7.071 8.039 -0.968 19221 13114 1 13 . 1 1 175 175 PRO HA H 175 3.861 3.861 3.601 0.260 19221 13115 1 13 . 1 1 175 175 PRO C C 175 175.955 175.955 175.769 0.186 19221 13116 1 13 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.137 -0.387 19221 13117 1 13 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.122 0.278 19221 13118 1 14 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.313 -0.173 19221 13119 1 14 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.747 -0.657 19221 13120 1 14 . 1 1 2 2 LYS CB C 2 32.930 32.930 32.214 0.716 19221 13121 1 14 . 1 1 4 4 ASP C C 4 176.140 176.140 176.387 -0.247 19221 13122 1 14 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.609 1.921 19221 13123 1 14 . 1 1 4 4 ASP CB C 4 41.980 41.980 43.146 -1.166 19221 13124 1 14 . 1 1 5 5 PHE N N 5 122.270 122.270 121.361 0.909 19221 13125 1 14 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.316 -0.137 19221 13126 1 14 . 1 1 5 5 PHE C C 5 177.706 177.706 177.163 0.543 19221 13127 1 14 . 1 1 5 5 PHE CA C 5 61.880 61.880 60.426 1.454 19221 13128 1 14 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.791 0.109 19221 13129 1 14 . 1 1 5 5 PHE H H 5 7.853 7.853 8.654 -0.801 19221 13130 1 14 . 1 1 6 6 ASN N N 6 114.920 114.920 118.807 -3.887 19221 13131 1 14 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.460 -0.059 19221 13132 1 14 . 1 1 6 6 ASN C C 6 176.990 176.990 177.588 -0.598 19221 13133 1 14 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.071 0.399 19221 13134 1 14 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.232 0.991 19221 13135 1 14 . 1 1 6 6 ASN H H 6 8.051 8.051 9.131 -1.080 19221 13136 1 14 . 1 1 7 7 SER N N 7 112.970 112.970 117.247 -4.277 19221 13137 1 14 . 1 1 7 7 SER HA H 7 4.435 4.435 4.313 0.122 19221 13138 1 14 . 1 1 7 7 SER C C 7 177.780 177.780 176.168 1.612 19221 13139 1 14 . 1 1 7 7 SER CA C 7 61.440 61.440 61.091 0.349 19221 13140 1 14 . 1 1 7 7 SER CB C 7 62.770 62.770 63.325 -0.555 19221 13141 1 14 . 1 1 7 7 SER H H 7 8.041 8.041 7.972 0.069 19221 13142 1 14 . 1 1 8 8 PHE N N 8 123.560 123.560 123.485 0.075 19221 13143 1 14 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.321 -0.254 19221 13144 1 14 . 1 1 8 8 PHE C C 8 177.959 177.959 177.564 0.395 19221 13145 1 14 . 1 1 8 8 PHE CA C 8 62.110 62.110 60.742 1.367 19221 13146 1 14 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.414 -0.448 19221 13147 1 14 . 1 1 8 8 PHE H H 8 8.364 8.364 7.734 0.630 19221 13148 1 14 . 1 1 9 9 TYR N N 9 122.550 122.550 121.240 1.310 19221 13149 1 14 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.984 0.016 19221 13150 1 14 . 1 1 9 9 TYR C C 9 176.360 176.360 176.542 -0.182 19221 13151 1 14 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.319 -0.309 19221 13152 1 14 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.288 -0.089 19221 13153 1 14 . 1 1 9 9 TYR H H 9 8.230 8.230 9.252 -1.022 19221 13154 1 14 . 1 1 10 10 TYR N N 10 115.490 115.490 118.843 -3.353 19221 13155 1 14 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.010 0.096 19221 13156 1 14 . 1 1 10 10 TYR C C 10 180.280 180.280 177.370 2.910 19221 13157 1 14 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.337 1.183 19221 13158 1 14 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.819 -0.889 19221 13159 1 14 . 1 1 10 10 TYR H H 10 7.958 7.958 7.990 -0.032 19221 13160 1 14 . 1 1 11 11 THR N N 11 115.140 115.140 117.016 -1.876 19221 13161 1 14 . 1 1 11 11 THR HA H 11 3.934 3.934 3.570 0.364 19221 13162 1 14 . 1 1 11 11 THR CA C 11 66.560 66.560 66.887 -0.327 19221 13163 1 14 . 1 1 11 11 THR CB C 11 68.750 68.750 68.054 0.696 19221 13164 1 14 . 1 1 11 11 THR H H 11 8.806 8.806 8.083 0.723 19221 13165 1 14 . 1 1 12 12 SER N N 12 120.384 120.384 117.862 2.522 19221 13166 1 14 . 1 1 12 12 SER HA H 12 3.346 3.346 4.027 -0.681 19221 13167 1 14 . 1 1 12 12 SER C C 12 175.891 175.891 176.243 -0.352 19221 13168 1 14 . 1 1 12 12 SER CA C 12 62.740 62.740 62.233 0.507 19221 13169 1 14 . 1 1 12 12 SER CB C 12 62.580 62.580 62.791 -0.210 19221 13170 1 14 . 1 1 12 12 SER H H 12 8.151 8.151 7.977 0.174 19221 13171 1 14 . 1 1 13 13 LEU N N 13 121.640 121.640 121.329 0.311 19221 13172 1 14 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.809 -0.008 19221 13173 1 14 . 1 1 13 13 LEU C C 13 180.374 180.374 179.002 1.372 19221 13174 1 14 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.294 1.056 19221 13175 1 14 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.507 -0.097 19221 13176 1 14 . 1 1 13 13 LEU H H 13 7.893 7.893 7.651 0.242 19221 13177 1 14 . 1 1 14 14 LEU N N 14 120.470 120.470 120.643 -0.173 19221 13178 1 14 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.771 0.390 19221 13179 1 14 . 1 1 14 14 LEU C C 14 179.880 179.880 179.053 0.827 19221 13180 1 14 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.525 0.475 19221 13181 1 14 . 1 1 14 14 LEU CB C 14 41.550 41.550 40.487 1.063 19221 13182 1 14 . 1 1 14 14 LEU H H 14 7.528 7.528 8.172 -0.644 19221 13183 1 14 . 1 1 15 15 TYR N N 15 122.257 122.257 119.717 2.540 19221 13184 1 14 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.055 0.210 19221 13185 1 14 . 1 1 15 15 TYR C C 15 177.033 177.033 177.346 -0.313 19221 13186 1 14 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.994 -1.264 19221 13187 1 14 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.258 -0.158 19221 13188 1 14 . 1 1 15 15 TYR H H 15 8.135 8.135 8.144 -0.009 19221 13189 1 14 . 1 1 16 16 LEU N N 16 118.440 118.440 117.044 1.396 19221 13190 1 14 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.961 -0.156 19221 13191 1 14 . 1 1 16 16 LEU C C 16 179.055 179.055 178.854 0.201 19221 13192 1 14 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.484 -0.271 19221 13193 1 14 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.333 0.732 19221 13194 1 14 . 1 1 16 16 LEU H H 16 8.452 8.452 7.630 0.822 19221 13195 1 14 . 1 1 17 17 SER N N 17 114.450 114.450 112.091 2.359 19221 13196 1 14 . 1 1 17 17 SER HA H 17 4.430 4.430 4.338 0.092 19221 13197 1 14 . 1 1 17 17 SER C C 17 175.197 175.197 175.403 -0.206 19221 13198 1 14 . 1 1 17 17 SER CA C 17 61.040 61.040 60.187 0.853 19221 13199 1 14 . 1 1 17 17 SER CB C 17 63.460 63.460 63.264 0.196 19221 13200 1 14 . 1 1 17 17 SER H H 17 7.848 7.848 7.785 0.063 19221 13201 1 14 . 1 1 18 18 THR N N 18 110.850 110.850 112.565 -1.715 19221 13202 1 14 . 1 1 18 18 THR HA H 18 4.452 4.452 4.043 0.409 19221 13203 1 14 . 1 1 18 18 THR C C 18 174.439 174.439 174.642 -0.203 19221 13204 1 14 . 1 1 18 18 THR CA C 18 61.421 61.421 63.684 -2.263 19221 13205 1 14 . 1 1 18 18 THR CB C 18 69.940 69.940 69.148 0.792 19221 13206 1 14 . 1 1 18 18 THR H H 18 7.505 7.505 7.449 0.056 19221 13207 1 14 . 1 1 19 19 LEU N N 19 123.180 123.180 121.049 2.131 19221 13208 1 14 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.550 -0.390 19221 13209 1 14 . 1 1 19 19 LEU C C 19 176.926 176.926 174.665 2.261 19221 13210 1 14 . 1 1 19 19 LEU CA C 19 55.290 55.290 53.462 1.828 19221 13211 1 14 . 1 1 19 19 LEU CB C 19 42.448 42.448 45.188 -2.740 19221 13212 1 14 . 1 1 19 19 LEU H H 19 7.095 7.095 7.167 -0.072 19221 13213 1 14 . 1 1 20 20 GLU N N 20 125.330 125.330 121.941 3.389 19221 13214 1 14 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.360 0.248 19221 13215 1 14 . 1 1 20 20 GLU C C 20 175.915 175.915 175.879 0.036 19221 13216 1 14 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.373 -0.601 19221 13217 1 14 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.797 -0.207 19221 13218 1 14 . 1 1 20 20 GLU H H 20 8.535 8.535 8.643 -0.108 19221 13219 1 14 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.237 0.096 19221 13220 1 14 . 1 1 21 21 PRO C C 21 177.196 177.196 178.171 -0.975 19221 13221 1 14 . 1 1 21 21 PRO CA C 21 64.780 64.780 65.442 -0.662 19221 13222 1 14 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.780 0.070 19221 13223 1 14 . 1 1 22 22 SER N N 22 111.220 111.220 111.871 -0.651 19221 13224 1 14 . 1 1 22 22 SER HA H 22 4.398 4.398 4.261 0.137 19221 13225 1 14 . 1 1 22 22 SER C C 22 175.056 175.056 175.576 -0.520 19221 13226 1 14 . 1 1 22 22 SER CA C 22 58.530 58.530 60.701 -2.171 19221 13227 1 14 . 1 1 22 22 SER CB C 22 63.500 63.500 63.209 0.291 19221 13228 1 14 . 1 1 22 22 SER H H 22 7.967 7.967 8.433 -0.466 19221 13229 1 14 . 1 1 23 23 THR N N 23 117.440 117.440 107.616 9.824 19221 13230 1 14 . 1 1 23 23 THR HA H 23 4.279 4.279 4.638 -0.359 19221 13231 1 14 . 1 1 23 23 THR C C 23 174.573 174.573 175.284 -0.711 19221 13232 1 14 . 1 1 23 23 THR CA C 23 62.920 62.920 61.408 1.512 19221 13233 1 14 . 1 1 23 23 THR CB C 23 69.260 69.260 70.953 -1.693 19221 13234 1 14 . 1 1 23 23 THR H H 23 7.936 7.936 7.838 0.098 19221 13235 1 14 . 1 1 24 24 SER N N 24 119.820 119.820 118.757 1.063 19221 13236 1 14 . 1 1 24 24 SER HA H 24 4.485 4.485 4.096 0.389 19221 13237 1 14 . 1 1 24 24 SER C C 24 174.082 174.082 174.334 -0.252 19221 13238 1 14 . 1 1 24 24 SER CA C 24 58.600 58.600 61.110 -2.510 19221 13239 1 14 . 1 1 24 24 SER CB C 24 63.430 63.430 63.368 0.062 19221 13240 1 14 . 1 1 24 24 SER H H 24 8.438 8.438 8.186 0.252 19221 13241 1 14 . 1 1 25 25 ILE N N 25 123.140 123.140 115.555 7.585 19221 13242 1 14 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.454 0.025 19221 13243 1 14 . 1 1 25 25 ILE C C 25 176.472 176.472 175.107 1.365 19221 13244 1 14 . 1 1 25 25 ILE CA C 25 61.010 61.010 58.987 2.023 19221 13245 1 14 . 1 1 25 25 ILE CB C 25 39.460 39.460 42.276 -2.816 19221 13246 1 14 . 1 1 25 25 ILE H H 25 7.870 7.870 7.547 0.323 19221 13247 1 14 . 1 1 26 26 THR N N 26 118.120 118.120 113.204 4.916 19221 13248 1 14 . 1 1 26 26 THR HA H 26 4.394 4.394 4.448 -0.054 19221 13249 1 14 . 1 1 26 26 THR C C 26 175.540 175.540 175.592 -0.052 19221 13250 1 14 . 1 1 26 26 THR CA C 26 61.890 61.890 60.866 1.024 19221 13251 1 14 . 1 1 26 26 THR CB C 26 71.320 71.320 69.768 1.552 19221 13252 1 14 . 1 1 26 26 THR H H 26 8.649 8.649 8.087 0.562 19221 13253 1 14 . 1 1 27 27 LEU N N 27 123.130 123.130 122.536 0.594 19221 13254 1 14 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.023 0.066 19221 13255 1 14 . 1 1 27 27 LEU C C 27 178.653 178.653 178.301 0.352 19221 13256 1 14 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.201 0.559 19221 13257 1 14 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.478 -0.298 19221 13258 1 14 . 1 1 27 27 LEU H H 27 8.766 8.766 8.611 0.155 19221 13259 1 14 . 1 1 28 28 ALA N N 28 119.510 119.510 120.121 -0.611 19221 13260 1 14 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.121 0.142 19221 13261 1 14 . 1 1 28 28 ALA C C 28 178.218 178.218 179.967 -1.749 19221 13262 1 14 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.882 0.438 19221 13263 1 14 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.166 -0.046 19221 13264 1 14 . 1 1 28 28 ALA H H 28 8.546 8.546 8.374 0.172 19221 13265 1 14 . 1 1 29 29 GLU N N 29 118.210 118.210 118.189 0.021 19221 13266 1 14 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.118 -0.037 19221 13267 1 14 . 1 1 29 29 GLU C C 29 179.929 179.929 179.329 0.600 19221 13268 1 14 . 1 1 29 29 GLU CA C 29 59.300 59.300 58.996 0.304 19221 13269 1 14 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.513 0.563 19221 13270 1 14 . 1 1 29 29 GLU H H 29 7.719 7.719 7.692 0.027 19221 13271 1 14 . 1 1 30 30 ARG N N 30 121.350 121.350 120.478 0.872 19221 13272 1 14 . 1 1 30 30 ARG HA H 30 3.959 3.959 3.981 -0.022 19221 13273 1 14 . 1 1 30 30 ARG C C 30 177.538 177.538 178.983 -1.445 19221 13274 1 14 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.832 0.813 19221 13275 1 14 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.067 0.933 19221 13276 1 14 . 1 1 30 30 ARG H H 30 8.410 8.410 8.654 -0.244 19221 13277 1 14 . 1 1 31 31 GLN N N 31 117.670 117.670 118.918 -1.248 19221 13278 1 14 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.057 -0.105 19221 13279 1 14 . 1 1 31 31 GLN C C 31 178.220 178.220 178.905 -0.685 19221 13280 1 14 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.239 -0.284 19221 13281 1 14 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.642 -0.012 19221 13282 1 14 . 1 1 31 31 GLN H H 31 8.742 8.742 8.457 0.285 19221 13283 1 14 . 1 1 32 32 GLN N N 32 117.910 117.910 118.932 -1.022 19221 13284 1 14 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.164 -0.177 19221 13285 1 14 . 1 1 32 32 GLN C C 32 177.712 177.712 178.761 -1.049 19221 13286 1 14 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.514 -0.183 19221 13287 1 14 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.506 -0.186 19221 13288 1 14 . 1 1 32 32 GLN H H 32 7.732 7.732 7.634 0.098 19221 13289 1 14 . 1 1 33 33 LEU N N 33 119.680 119.680 121.354 -1.674 19221 13290 1 14 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.037 0.367 19221 13291 1 14 . 1 1 33 33 LEU C C 33 178.876 178.876 177.957 0.919 19221 13292 1 14 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.360 0.690 19221 13293 1 14 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.399 0.401 19221 13294 1 14 . 1 1 33 33 LEU H H 33 7.846 7.846 8.641 -0.795 19221 13295 1 14 . 1 1 34 34 ALA N N 34 121.660 121.660 122.254 -0.594 19221 13296 1 14 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.939 -0.198 19221 13297 1 14 . 1 1 34 34 ALA C C 34 180.025 180.025 179.153 0.872 19221 13298 1 14 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.406 0.264 19221 13299 1 14 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.096 0.844 19221 13300 1 14 . 1 1 34 34 ALA H H 34 8.308 8.308 8.649 -0.341 19221 13301 1 14 . 1 1 35 35 TYR N N 35 120.860 120.860 119.661 1.199 19221 13302 1 14 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.696 0.062 19221 13303 1 14 . 1 1 35 35 TYR C C 35 176.384 176.384 177.102 -0.718 19221 13304 1 14 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.120 0.900 19221 13305 1 14 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.087 0.373 19221 13306 1 14 . 1 1 35 35 TYR H H 35 8.457 8.457 8.156 0.301 19221 13307 1 14 . 1 1 36 36 ASP N N 36 120.570 120.570 119.345 1.225 19221 13308 1 14 . 1 1 36 36 ASP HA H 36 4.235 4.235 3.981 0.254 19221 13309 1 14 . 1 1 36 36 ASP C C 36 180.544 180.544 178.582 1.962 19221 13310 1 14 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.294 0.646 19221 13311 1 14 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.812 -0.342 19221 13312 1 14 . 1 1 36 36 ASP H H 36 9.072 9.072 8.234 0.838 19221 13313 1 14 . 1 1 37 37 LEU N N 37 123.000 123.000 121.261 1.739 19221 13314 1 14 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.085 0.061 19221 13315 1 14 . 1 1 37 37 LEU C C 37 178.743 178.743 178.353 0.390 19221 13316 1 14 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.440 0.174 19221 13317 1 14 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.916 0.894 19221 13318 1 14 . 1 1 37 37 LEU H H 37 9.068 9.068 8.325 0.743 19221 13319 1 14 . 1 1 38 38 SER N N 38 116.650 116.650 115.162 1.488 19221 13320 1 14 . 1 1 38 38 SER HA H 38 3.680 3.680 4.119 -0.439 19221 13321 1 14 . 1 1 38 38 SER C C 38 174.113 174.113 176.595 -2.482 19221 13322 1 14 . 1 1 38 38 SER CA C 38 59.430 59.430 62.735 -3.305 19221 13323 1 14 . 1 1 38 38 SER CB C 38 63.559 63.559 62.806 0.753 19221 13324 1 14 . 1 1 38 38 SER H H 38 7.824 7.824 7.954 -0.130 19221 13325 1 14 . 1 1 39 39 ILE N N 39 121.198 121.198 121.969 -0.771 19221 13326 1 14 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.578 -0.173 19221 13327 1 14 . 1 1 39 39 ILE C C 39 176.113 176.113 177.691 -1.578 19221 13328 1 14 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.193 -0.833 19221 13329 1 14 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.542 -1.194 19221 13330 1 14 . 1 1 39 39 ILE H H 39 8.313 8.313 8.149 0.164 19221 13331 1 14 . 1 1 40 40 SER N N 40 115.537 115.537 115.824 -0.287 19221 13332 1 14 . 1 1 40 40 SER HA H 40 4.534 4.534 4.067 0.467 19221 13333 1 14 . 1 1 40 40 SER C C 40 174.881 174.881 176.121 -1.240 19221 13334 1 14 . 1 1 40 40 SER CA C 40 62.520 62.520 62.166 0.353 19221 13335 1 14 . 1 1 40 40 SER CB C 40 62.670 62.670 62.811 -0.141 19221 13336 1 14 . 1 1 40 40 SER H H 40 7.961 7.961 8.319 -0.358 19221 13337 1 14 . 1 1 41 41 ALA N N 41 123.360 123.360 123.440 -0.080 19221 13338 1 14 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.912 -0.320 19221 13339 1 14 . 1 1 41 41 ALA C C 41 178.822 178.822 180.071 -1.249 19221 13340 1 14 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.633 -0.511 19221 13341 1 14 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.448 -0.058 19221 13342 1 14 . 1 1 41 41 ALA H H 41 7.878 7.878 7.840 0.038 19221 13343 1 14 . 1 1 42 42 LEU N N 42 115.790 115.790 120.274 -4.484 19221 13344 1 14 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.088 -0.512 19221 13345 1 14 . 1 1 42 42 LEU C C 42 179.683 179.683 177.466 2.217 19221 13346 1 14 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.739 0.992 19221 13347 1 14 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.446 -0.235 19221 13348 1 14 . 1 1 42 42 LEU H H 42 7.737 7.737 8.218 -0.481 19221 13349 1 14 . 1 1 43 43 LEU N N 43 113.670 113.670 109.465 4.205 19221 13350 1 14 . 1 1 43 43 LEU HA H 43 4.007 4.007 5.067 -1.060 19221 13351 1 14 . 1 1 43 43 LEU C C 43 177.279 177.279 176.995 0.284 19221 13352 1 14 . 1 1 43 43 LEU CA C 43 54.930 54.930 53.153 1.778 19221 13353 1 14 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.900 -0.080 19221 13354 1 14 . 1 1 43 43 LEU H H 43 7.798 7.798 7.562 0.236 19221 13355 1 14 . 1 1 44 44 GLY N N 44 108.270 108.270 109.112 -0.842 19221 13356 1 14 . 1 1 44 44 GLY C C 44 177.020 177.020 174.322 2.698 19221 13357 1 14 . 1 1 44 44 GLY CA C 44 46.890 46.890 45.128 1.762 19221 13358 1 14 . 1 1 44 44 GLY H H 44 7.984 7.984 7.712 0.272 19221 13359 1 14 . 1 1 45 45 ASP N N 45 128.400 128.400 124.034 4.366 19221 13360 1 14 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.582 -0.023 19221 13361 1 14 . 1 1 45 45 ASP C C 45 177.183 177.183 177.450 -0.267 19221 13362 1 14 . 1 1 45 45 ASP CA C 45 55.450 55.450 57.933 -2.483 19221 13363 1 14 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.459 -1.669 19221 13364 1 14 . 1 1 45 45 ASP H H 45 9.073 9.073 9.492 -0.419 19221 13365 1 14 . 1 1 46 46 LYS N N 46 117.230 117.230 114.296 2.934 19221 13366 1 14 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.610 0.335 19221 13367 1 14 . 1 1 46 46 LYS C C 46 176.544 176.544 176.070 0.474 19221 13368 1 14 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.217 0.393 19221 13369 1 14 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.786 1.174 19221 13370 1 14 . 1 1 46 46 LYS H H 46 8.987 8.987 8.219 0.768 19221 13371 1 14 . 1 1 47 47 ILE N N 47 121.540 121.540 121.851 -0.311 19221 13372 1 14 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.797 0.300 19221 13373 1 14 . 1 1 47 47 ILE C C 47 174.082 174.082 176.125 -2.043 19221 13374 1 14 . 1 1 47 47 ILE CA C 47 61.080 61.080 61.962 -0.882 19221 13375 1 14 . 1 1 47 47 ILE CB C 47 37.008 37.008 37.944 -0.937 19221 13376 1 14 . 1 1 47 47 ILE H H 47 6.840 6.840 7.591 -0.751 19221 13377 1 14 . 1 1 48 48 TYR N N 48 123.820 123.820 119.799 4.021 19221 13378 1 14 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.277 0.032 19221 13379 1 14 . 1 1 48 48 TYR C C 48 173.249 173.249 174.480 -1.231 19221 13380 1 14 . 1 1 48 48 TYR CA C 48 57.350 57.350 58.192 -0.842 19221 13381 1 14 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.080 0.150 19221 13382 1 14 . 1 1 48 48 TYR H H 48 8.511 8.511 7.533 0.978 19221 13383 1 14 . 1 1 49 49 ASN N N 49 116.100 116.100 118.439 -2.339 19221 13384 1 14 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.206 0.245 19221 13385 1 14 . 1 1 49 49 ASN C C 49 175.429 175.429 176.217 -0.788 19221 13386 1 14 . 1 1 49 49 ASN CA C 49 53.077 53.077 54.246 -1.169 19221 13387 1 14 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.325 1.591 19221 13388 1 14 . 1 1 49 49 ASN H H 49 6.906 6.906 7.182 -0.276 19221 13389 1 14 . 1 1 50 50 PHE N N 50 124.360 124.360 111.780 12.580 19221 13390 1 14 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.020 0.991 19221 13391 1 14 . 1 1 50 50 PHE C C 50 176.190 176.190 177.267 -1.077 19221 13392 1 14 . 1 1 50 50 PHE CA C 50 55.863 55.863 59.828 -3.965 19221 13393 1 14 . 1 1 50 50 PHE CB C 50 38.482 38.482 36.546 1.936 19221 13394 1 14 . 1 1 50 50 PHE H H 50 8.980 8.980 7.983 0.997 19221 13395 1 14 . 1 1 51 51 GLY N N 51 109.740 109.740 106.477 3.263 19221 13396 1 14 . 1 1 51 51 GLY C C 51 175.758 175.758 175.570 0.188 19221 13397 1 14 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.402 0.898 19221 13398 1 14 . 1 1 51 51 GLY H H 51 8.658 8.658 8.368 0.290 19221 13399 1 14 . 1 1 52 52 GLU N N 52 120.700 120.700 121.770 -1.070 19221 13400 1 14 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.144 -0.062 19221 13401 1 14 . 1 1 52 52 GLU C C 52 178.240 178.240 179.282 -1.042 19221 13402 1 14 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.599 -0.389 19221 13403 1 14 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.329 0.410 19221 13404 1 14 . 1 1 52 52 GLU H H 52 8.321 8.321 8.594 -0.273 19221 13405 1 14 . 1 1 53 53 LEU N N 53 119.400 119.400 121.977 -2.577 19221 13406 1 14 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.187 -0.029 19221 13407 1 14 . 1 1 53 53 LEU C C 53 178.344 178.344 178.761 -0.417 19221 13408 1 14 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.945 -0.155 19221 13409 1 14 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.955 0.885 19221 13410 1 14 . 1 1 53 53 LEU H H 53 7.694 7.694 8.069 -0.375 19221 13411 1 14 . 1 1 54 54 LEU N N 54 114.230 114.230 118.026 -3.796 19221 13412 1 14 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.183 -0.260 19221 13413 1 14 . 1 1 54 54 LEU C C 54 178.643 178.643 177.142 1.501 19221 13414 1 14 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.551 1.179 19221 13415 1 14 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.875 -0.025 19221 13416 1 14 . 1 1 54 54 LEU H H 54 8.369 8.369 8.374 -0.005 19221 13417 1 14 . 1 1 55 55 HIS N N 55 113.420 113.420 114.956 -1.536 19221 13418 1 14 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.781 -0.074 19221 13419 1 14 . 1 1 55 55 HIS C C 55 173.981 173.981 174.514 -0.533 19221 13420 1 14 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.506 0.014 19221 13421 1 14 . 1 1 55 55 HIS CB C 55 29.280 29.280 30.833 -1.553 19221 13422 1 14 . 1 1 55 55 HIS H H 55 7.569 7.569 7.558 0.011 19221 13423 1 14 . 1 1 56 56 HIS N N 56 126.050 126.050 122.956 3.094 19221 13424 1 14 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.707 -0.226 19221 13425 1 14 . 1 1 56 56 HIS C C 56 176.705 176.705 174.432 2.273 19221 13426 1 14 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.535 1.815 19221 13427 1 14 . 1 1 56 56 HIS CB C 56 31.720 31.720 30.827 0.893 19221 13428 1 14 . 1 1 56 56 HIS H H 56 8.068 8.068 8.207 -0.139 19221 13429 1 14 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.487 -0.110 19221 13430 1 14 . 1 1 57 57 PRO C C 57 179.790 179.790 174.971 4.819 19221 13431 1 14 . 1 1 57 57 PRO CA C 57 65.440 65.440 63.760 1.680 19221 13432 1 14 . 1 1 57 57 PRO CB C 57 32.430 32.430 30.032 2.398 19221 13433 1 14 . 1 1 58 58 ILE N N 58 124.900 124.900 118.029 6.871 19221 13434 1 14 . 1 1 58 58 ILE HA H 58 4.270 4.270 4.263 0.007 19221 13435 1 14 . 1 1 58 58 ILE C C 58 177.782 177.782 175.591 2.191 19221 13436 1 14 . 1 1 58 58 ILE CA C 58 62.530 62.530 60.668 1.862 19221 13437 1 14 . 1 1 58 58 ILE CB C 58 38.270 38.270 40.993 -2.723 19221 13438 1 14 . 1 1 58 58 ILE H H 58 11.871 11.871 8.320 3.551 19221 13439 1 14 . 1 1 59 59 MET N N 59 120.230 120.230 120.331 -0.101 19221 13440 1 14 . 1 1 59 59 MET HA H 59 4.431 4.431 4.140 0.291 19221 13441 1 14 . 1 1 59 59 MET C C 59 178.757 178.757 177.741 1.016 19221 13442 1 14 . 1 1 59 59 MET CA C 59 55.720 55.720 59.712 -3.992 19221 13443 1 14 . 1 1 59 59 MET CB C 59 30.980 30.980 32.160 -1.181 19221 13444 1 14 . 1 1 59 59 MET H H 59 8.152 8.152 7.700 0.452 19221 13445 1 14 . 1 1 60 60 GLU N N 60 119.080 119.080 118.571 0.509 19221 13446 1 14 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.939 0.069 19221 13447 1 14 . 1 1 60 60 GLU C C 60 178.242 178.242 178.506 -0.264 19221 13448 1 14 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.199 -0.679 19221 13449 1 14 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.774 0.773 19221 13450 1 14 . 1 1 60 60 GLU H H 60 7.889 7.889 8.766 -0.877 19221 13451 1 14 . 1 1 61 61 THR N N 61 106.740 106.740 111.059 -4.319 19221 13452 1 14 . 1 1 61 61 THR HA H 61 4.120 4.120 4.147 -0.027 19221 13453 1 14 . 1 1 61 61 THR C C 61 176.056 176.056 176.040 0.016 19221 13454 1 14 . 1 1 61 61 THR CA C 61 64.520 64.520 64.728 -0.208 19221 13455 1 14 . 1 1 61 61 THR CB C 61 69.420 69.420 69.220 0.200 19221 13456 1 14 . 1 1 61 61 THR H H 61 7.558 7.558 7.785 -0.227 19221 13457 1 14 . 1 1 62 62 ILE N N 62 113.140 113.140 114.296 -1.156 19221 13458 1 14 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.566 0.021 19221 13459 1 14 . 1 1 62 62 ILE C C 62 176.843 176.843 177.142 -0.299 19221 13460 1 14 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.891 -0.101 19221 13461 1 14 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.053 0.317 19221 13462 1 14 . 1 1 62 62 ILE H H 62 7.235 7.235 7.649 -0.414 19221 13463 1 14 . 1 1 63 63 VAL N N 63 122.110 122.110 119.886 2.224 19221 13464 1 14 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.484 -0.138 19221 13465 1 14 . 1 1 63 63 VAL C C 63 175.165 175.165 177.289 -2.124 19221 13466 1 14 . 1 1 63 63 VAL CA C 63 64.440 64.440 66.155 -1.715 19221 13467 1 14 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.167 0.032 19221 13468 1 14 . 1 1 63 63 VAL H H 63 7.436 7.436 8.203 -0.767 19221 13469 1 14 . 1 1 64 64 ASN N N 64 116.810 116.810 117.230 -0.420 19221 13470 1 14 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.425 0.356 19221 13471 1 14 . 1 1 64 64 ASN C C 64 174.101 174.101 176.241 -2.140 19221 13472 1 14 . 1 1 64 64 ASN CA C 64 52.900 52.900 55.143 -2.243 19221 13473 1 14 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.215 0.563 19221 13474 1 14 . 1 1 64 64 ASN H H 64 8.352 8.352 7.739 0.613 19221 13475 1 14 . 1 1 65 65 ASP N N 65 120.930 120.930 118.729 2.201 19221 13476 1 14 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.607 0.273 19221 13477 1 14 . 1 1 65 65 ASP C C 65 177.534 177.534 176.779 0.755 19221 13478 1 14 . 1 1 65 65 ASP CA C 65 53.170 53.170 54.119 -0.949 19221 13479 1 14 . 1 1 65 65 ASP CB C 65 43.100 43.100 41.208 1.892 19221 13480 1 14 . 1 1 65 65 ASP H H 65 7.453 7.453 7.449 0.004 19221 13481 1 14 . 1 1 66 66 SER HA H 66 4.356 4.356 3.932 0.424 19221 13482 1 14 . 1 1 66 66 SER C C 66 176.310 176.310 174.809 1.501 19221 13483 1 14 . 1 1 66 66 SER CA C 66 61.350 61.350 60.008 1.343 19221 13484 1 14 . 1 1 66 66 SER CB C 66 63.120 63.120 61.614 1.506 19221 13485 1 14 . 1 1 66 66 SER H H 66 7.010 7.010 8.370 -1.360 19221 13486 1 14 . 1 1 67 67 ASN N N 67 120.050 120.050 120.198 -0.148 19221 13487 1 14 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.426 0.179 19221 13488 1 14 . 1 1 67 67 ASN C C 67 176.107 176.107 175.197 0.910 19221 13489 1 14 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.641 -0.071 19221 13490 1 14 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.534 0.066 19221 13491 1 14 . 1 1 67 67 ASN H H 67 9.014 9.014 8.153 0.861 19221 13492 1 14 . 1 1 68 68 TYR N N 68 114.840 114.840 113.844 0.996 19221 13493 1 14 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.179 0.340 19221 13494 1 14 . 1 1 68 68 TYR C C 68 175.709 175.709 175.471 0.238 19221 13495 1 14 . 1 1 68 68 TYR CA C 68 57.610 57.610 55.602 2.008 19221 13496 1 14 . 1 1 68 68 TYR CB C 68 39.750 39.750 37.750 2.000 19221 13497 1 14 . 1 1 68 68 TYR H H 68 8.276 8.276 7.682 0.594 19221 13498 1 14 . 1 1 69 69 ASP N N 69 122.810 122.810 122.822 -0.012 19221 13499 1 14 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.349 0.103 19221 13500 1 14 . 1 1 69 69 ASP C C 69 178.371 178.371 177.640 0.731 19221 13501 1 14 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.511 0.119 19221 13502 1 14 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.950 -0.320 19221 13503 1 14 . 1 1 69 69 ASP H H 69 7.806 7.806 8.118 -0.312 19221 13504 1 14 . 1 1 70 70 TRP N N 70 117.270 117.270 119.297 -2.027 19221 13505 1 14 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.474 -0.310 19221 13506 1 14 . 1 1 70 70 TRP C C 70 176.090 176.090 177.808 -1.718 19221 13507 1 14 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.019 -0.489 19221 13508 1 14 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.545 -0.995 19221 13509 1 14 . 1 1 70 70 TRP H H 70 8.172 8.172 7.879 0.293 19221 13510 1 14 . 1 1 71 71 LEU N N 71 125.263 125.263 122.260 3.003 19221 13511 1 14 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.929 -0.689 19221 13512 1 14 . 1 1 71 71 LEU C C 71 178.306 178.306 178.094 0.212 19221 13513 1 14 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.023 0.587 19221 13514 1 14 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.331 0.859 19221 13515 1 14 . 1 1 71 71 LEU H H 71 6.251 6.251 6.814 -0.563 19221 13516 1 14 . 1 1 72 72 PHE N N 72 117.630 117.630 119.758 -2.128 19221 13517 1 14 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.954 -0.141 19221 13518 1 14 . 1 1 72 72 PHE C C 72 178.797 178.797 177.260 1.537 19221 13519 1 14 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.894 0.677 19221 13520 1 14 . 1 1 72 72 PHE CB C 72 38.810 38.810 39.031 -0.220 19221 13521 1 14 . 1 1 72 72 PHE H H 72 6.996 6.996 8.568 -1.572 19221 13522 1 14 . 1 1 73 73 GLN N N 73 117.950 117.950 118.638 -0.688 19221 13523 1 14 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.858 0.208 19221 13524 1 14 . 1 1 73 73 GLN C C 73 179.341 179.341 178.361 0.980 19221 13525 1 14 . 1 1 73 73 GLN CA C 73 59.090 59.090 59.066 0.024 19221 13526 1 14 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.773 -0.523 19221 13527 1 14 . 1 1 73 73 GLN H H 73 8.415 8.415 8.459 -0.044 19221 13528 1 14 . 1 1 74 74 LEU N N 74 122.275 122.275 122.189 0.086 19221 13529 1 14 . 1 1 74 74 LEU HA H 74 4.070 4.070 3.922 0.148 19221 13530 1 14 . 1 1 74 74 LEU C C 74 177.889 177.889 178.499 -0.610 19221 13531 1 14 . 1 1 74 74 LEU CA C 74 58.570 58.570 58.084 0.486 19221 13532 1 14 . 1 1 74 74 LEU CB C 74 42.180 42.180 42.051 0.129 19221 13533 1 14 . 1 1 74 74 LEU H H 74 8.365 8.365 8.272 0.093 19221 13534 1 14 . 1 1 75 75 LEU N N 75 118.123 118.123 118.839 -0.716 19221 13535 1 14 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.457 0.270 19221 13536 1 14 . 1 1 75 75 LEU C C 75 180.172 180.172 178.944 1.228 19221 13537 1 14 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.136 0.317 19221 13538 1 14 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.164 1.176 19221 13539 1 14 . 1 1 75 75 LEU H H 75 8.210 8.210 8.622 -0.412 19221 13540 1 14 . 1 1 76 76 ASN N N 76 117.960 117.960 117.619 0.341 19221 13541 1 14 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.132 0.243 19221 13542 1 14 . 1 1 76 76 ASN C C 76 176.582 176.582 177.189 -0.607 19221 13543 1 14 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.000 0.960 19221 13544 1 14 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.949 1.001 19221 13545 1 14 . 1 1 76 76 ASN H H 76 8.363 8.363 8.183 0.180 19221 13546 1 14 . 1 1 77 77 ALA N N 77 121.740 121.740 122.018 -0.278 19221 13547 1 14 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.039 0.128 19221 13548 1 14 . 1 1 77 77 ALA C C 77 179.988 179.988 179.998 -0.010 19221 13549 1 14 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.840 0.720 19221 13550 1 14 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.434 -1.104 19221 13551 1 14 . 1 1 77 77 ALA H H 77 8.385 8.385 8.203 0.182 19221 13552 1 14 . 1 1 78 78 LEU N N 78 116.550 116.550 117.620 -1.070 19221 13553 1 14 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.985 -0.332 19221 13554 1 14 . 1 1 78 78 LEU C C 78 177.576 177.576 178.945 -1.369 19221 13555 1 14 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.777 1.207 19221 13556 1 14 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.443 0.567 19221 13557 1 14 . 1 1 78 78 LEU H H 78 7.965 7.965 8.066 -0.101 19221 13558 1 14 . 1 1 79 79 THR N N 79 113.220 113.220 113.807 -0.587 19221 13559 1 14 . 1 1 79 79 THR HA H 79 3.807 3.807 4.259 -0.452 19221 13560 1 14 . 1 1 79 79 THR C C 79 176.163 176.163 175.949 0.214 19221 13561 1 14 . 1 1 79 79 THR CA C 79 66.980 66.980 66.088 0.892 19221 13562 1 14 . 1 1 79 79 THR CB C 79 69.240 69.240 69.158 0.082 19221 13563 1 14 . 1 1 79 79 THR H H 79 7.565 7.565 7.901 -0.336 19221 13564 1 14 . 1 1 80 80 VAL N N 80 110.800 110.800 113.573 -2.773 19221 13565 1 14 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.472 0.037 19221 13566 1 14 . 1 1 80 80 VAL C C 80 176.751 176.751 175.919 0.832 19221 13567 1 14 . 1 1 80 80 VAL CA C 80 60.890 60.890 61.205 -0.315 19221 13568 1 14 . 1 1 80 80 VAL CB C 80 32.005 32.005 32.648 -0.643 19221 13569 1 14 . 1 1 80 80 VAL H H 80 7.792 7.792 7.281 0.511 19221 13570 1 14 . 1 1 81 81 GLY N N 81 112.910 112.910 110.278 2.632 19221 13571 1 14 . 1 1 81 81 GLY C C 81 173.874 173.874 174.098 -0.224 19221 13572 1 14 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.960 1.320 19221 13573 1 14 . 1 1 81 81 GLY H H 81 7.506 7.506 7.650 -0.144 19221 13574 1 14 . 1 1 82 82 ASP N N 82 119.112 119.112 120.876 -1.764 19221 13575 1 14 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.729 0.111 19221 13576 1 14 . 1 1 82 82 ASP C C 82 175.706 175.706 176.225 -0.519 19221 13577 1 14 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.717 0.203 19221 13578 1 14 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.696 0.254 19221 13579 1 14 . 1 1 82 82 ASP H H 82 8.254 8.254 8.073 0.181 19221 13580 1 14 . 1 1 83 83 PHE N N 83 123.870 123.870 123.085 0.785 19221 13581 1 14 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.199 -0.371 19221 13582 1 14 . 1 1 83 83 PHE C C 83 177.950 177.950 176.904 1.046 19221 13583 1 14 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.764 1.806 19221 13584 1 14 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.256 0.864 19221 13585 1 14 . 1 1 83 83 PHE H H 83 8.025 8.025 7.853 0.172 19221 13586 1 14 . 1 1 84 84 ASP N N 84 119.583 119.583 120.786 -1.203 19221 13587 1 14 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.451 0.071 19221 13588 1 14 . 1 1 84 84 ASP C C 84 179.005 179.005 178.633 0.372 19221 13589 1 14 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.384 0.276 19221 13590 1 14 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.730 -0.170 19221 13591 1 14 . 1 1 84 84 ASP H H 84 8.464 8.464 7.484 0.980 19221 13592 1 14 . 1 1 85 85 LYS N N 85 122.200 122.200 119.870 2.330 19221 13593 1 14 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.042 0.050 19221 13594 1 14 . 1 1 85 85 LYS C C 85 178.580 178.580 178.942 -0.362 19221 13595 1 14 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.923 -0.673 19221 13596 1 14 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.197 0.113 19221 13597 1 14 . 1 1 85 85 LYS H H 85 8.009 8.009 8.318 -0.309 19221 13598 1 14 . 1 1 86 86 PHE N N 86 118.590 118.590 120.991 -2.401 19221 13599 1 14 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.064 -0.228 19221 13600 1 14 . 1 1 86 86 PHE C C 86 175.649 175.649 176.713 -1.064 19221 13601 1 14 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.655 0.755 19221 13602 1 14 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.832 1.248 19221 13603 1 14 . 1 1 86 86 PHE H H 86 8.331 8.331 8.777 -0.446 19221 13604 1 14 . 1 1 87 87 ASP N N 87 117.790 117.790 118.917 -1.127 19221 13605 1 14 . 1 1 87 87 ASP HA H 87 4.198 4.198 3.955 0.243 19221 13606 1 14 . 1 1 87 87 ASP C C 87 178.542 178.542 178.520 0.022 19221 13607 1 14 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.503 0.337 19221 13608 1 14 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.583 1.307 19221 13609 1 14 . 1 1 87 87 ASP H H 87 8.560 8.560 8.655 -0.095 19221 13610 1 14 . 1 1 88 88 SER N N 88 112.940 112.940 115.875 -2.935 19221 13611 1 14 . 1 1 88 88 SER HA H 88 4.153 4.153 4.210 -0.057 19221 13612 1 14 . 1 1 88 88 SER C C 88 176.823 176.823 176.006 0.817 19221 13613 1 14 . 1 1 88 88 SER CA C 88 61.590 61.590 61.931 -0.341 19221 13614 1 14 . 1 1 88 88 SER CB C 88 63.085 63.085 63.327 -0.242 19221 13615 1 14 . 1 1 88 88 SER H H 88 7.757 7.757 7.915 -0.158 19221 13616 1 14 . 1 1 89 89 LEU N N 89 121.710 121.710 119.941 1.769 19221 13617 1 14 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.177 -0.009 19221 13618 1 14 . 1 1 89 89 LEU C C 89 180.006 180.006 178.250 1.756 19221 13619 1 14 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.448 0.382 19221 13620 1 14 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.315 1.065 19221 13621 1 14 . 1 1 89 89 LEU H H 89 8.173 8.173 7.517 0.656 19221 13622 1 14 . 1 1 90 90 ILE N N 90 119.830 119.830 120.500 -0.670 19221 13623 1 14 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.483 0.062 19221 13624 1 14 . 1 1 90 90 ILE C C 90 177.083 177.083 178.433 -1.350 19221 13625 1 14 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.642 -1.732 19221 13626 1 14 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.443 -0.363 19221 13627 1 14 . 1 1 90 90 ILE H H 90 8.424 8.424 8.414 0.010 19221 13628 1 14 . 1 1 91 91 LYS N N 91 117.980 117.980 117.780 0.200 19221 13629 1 14 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.953 -0.052 19221 13630 1 14 . 1 1 91 91 LYS C C 91 178.803 178.803 178.050 0.753 19221 13631 1 14 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.174 0.336 19221 13632 1 14 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.275 0.485 19221 13633 1 14 . 1 1 91 91 LYS H H 91 7.569 7.569 8.114 -0.545 19221 13634 1 14 . 1 1 92 92 VAL N N 92 115.450 115.450 118.291 -2.841 19221 13635 1 14 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.942 -0.014 19221 13636 1 14 . 1 1 92 92 VAL C C 92 177.767 177.767 177.574 0.193 19221 13637 1 14 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.210 -0.660 19221 13638 1 14 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.793 -0.003 19221 13639 1 14 . 1 1 92 92 VAL H H 92 7.432 7.432 7.606 -0.174 19221 13640 1 14 . 1 1 93 93 GLN N N 93 117.250 117.250 119.516 -2.266 19221 13641 1 14 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.932 0.065 19221 13642 1 14 . 1 1 93 93 GLN C C 93 178.756 178.756 178.899 -0.143 19221 13643 1 14 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.077 -0.517 19221 13644 1 14 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.568 0.102 19221 13645 1 14 . 1 1 93 93 GLN H H 93 8.127 8.127 8.449 -0.322 19221 13646 1 14 . 1 1 94 94 ILE N N 94 118.013 118.013 119.540 -1.527 19221 13647 1 14 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.751 -0.111 19221 13648 1 14 . 1 1 94 94 ILE C C 94 176.252 176.252 178.858 -2.606 19221 13649 1 14 . 1 1 94 94 ILE CA C 94 64.980 64.980 64.909 0.071 19221 13650 1 14 . 1 1 94 94 ILE CB C 94 37.130 37.130 37.577 -0.447 19221 13651 1 14 . 1 1 94 94 ILE H H 94 8.390 8.390 7.748 0.642 19221 13652 1 14 . 1 1 95 95 SER N N 95 112.220 112.220 116.063 -3.843 19221 13653 1 14 . 1 1 95 95 SER HA H 95 4.158 4.158 4.180 -0.022 19221 13654 1 14 . 1 1 95 95 SER C C 95 174.893 174.893 175.776 -0.883 19221 13655 1 14 . 1 1 95 95 SER CA C 95 59.890 59.890 60.947 -1.057 19221 13656 1 14 . 1 1 95 95 SER CB C 95 63.170 63.170 62.937 0.233 19221 13657 1 14 . 1 1 95 95 SER H H 95 7.227 7.227 8.293 -1.066 19221 13658 1 14 . 1 1 96 96 LYS N N 96 119.000 119.000 118.420 0.580 19221 13659 1 14 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.199 0.126 19221 13660 1 14 . 1 1 96 96 LYS C C 96 175.903 175.903 176.007 -0.104 19221 13661 1 14 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.979 -0.379 19221 13662 1 14 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.171 0.769 19221 13663 1 14 . 1 1 96 96 LYS H H 96 7.250 7.250 7.473 -0.223 19221 13664 1 14 . 1 1 97 97 ILE N N 97 120.530 120.530 120.890 -0.360 19221 13665 1 14 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.561 0.038 19221 13666 1 14 . 1 1 97 97 ILE C C 97 173.784 173.784 174.137 -0.353 19221 13667 1 14 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.894 -0.482 19221 13668 1 14 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.123 -2.563 19221 13669 1 14 . 1 1 97 97 ILE H H 97 7.713 7.713 7.460 0.253 19221 13670 1 14 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.288 0.005 19221 13671 1 14 . 1 1 98 98 PRO C C 98 178.885 178.885 178.242 0.643 19221 13672 1 14 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.807 0.513 19221 13673 1 14 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.109 0.161 19221 13674 1 14 . 1 1 99 99 ILE N N 99 115.600 115.600 118.788 -3.188 19221 13675 1 14 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.924 0.368 19221 13676 1 14 . 1 1 99 99 ILE C C 99 177.025 177.025 177.556 -0.531 19221 13677 1 14 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.438 -0.658 19221 13678 1 14 . 1 1 99 99 ILE CB C 99 38.080 38.080 38.052 0.028 19221 13679 1 14 . 1 1 99 99 ILE H H 99 8.552 8.552 7.964 0.588 19221 13680 1 14 . 1 1 100 100 LEU N N 100 119.430 119.430 119.539 -0.109 19221 13681 1 14 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.090 0.133 19221 13682 1 14 . 1 1 100 100 LEU C C 100 178.223 178.223 178.708 -0.485 19221 13683 1 14 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.283 -0.173 19221 13684 1 14 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.551 0.669 19221 13685 1 14 . 1 1 100 100 LEU H H 100 7.404 7.404 7.548 -0.144 19221 13686 1 14 . 1 1 101 101 ALA N N 101 121.390 121.390 119.615 1.775 19221 13687 1 14 . 1 1 101 101 ALA HA H 101 3.917 3.917 4.005 -0.088 19221 13688 1 14 . 1 1 101 101 ALA C C 101 181.827 181.827 180.457 1.370 19221 13689 1 14 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.695 0.715 19221 13690 1 14 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.420 -0.470 19221 13691 1 14 . 1 1 101 101 ALA H H 101 7.839 7.839 8.017 -0.178 19221 13692 1 14 . 1 1 102 102 GLN N N 102 115.470 115.470 116.794 -1.324 19221 13693 1 14 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.033 0.044 19221 13694 1 14 . 1 1 102 102 GLN C C 102 176.572 176.572 176.858 -0.286 19221 13695 1 14 . 1 1 102 102 GLN CA C 102 57.580 57.580 58.000 -0.420 19221 13696 1 14 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.054 -0.424 19221 13697 1 14 . 1 1 102 102 GLN H H 102 8.276 8.276 7.783 0.493 19221 13698 1 14 . 1 1 103 103 HIS N N 103 115.980 115.980 114.667 1.313 19221 13699 1 14 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.969 0.155 19221 13700 1 14 . 1 1 103 103 HIS C C 103 175.326 175.326 175.044 0.282 19221 13701 1 14 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.963 1.387 19221 13702 1 14 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.269 1.721 19221 13703 1 14 . 1 1 103 103 HIS H H 103 7.450 7.450 7.653 -0.203 19221 13704 1 14 . 1 1 104 104 GLU N N 104 122.920 122.920 122.082 0.838 19221 13705 1 14 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.992 -0.179 19221 13706 1 14 . 1 1 104 104 GLU C C 104 177.960 177.960 178.130 -0.170 19221 13707 1 14 . 1 1 104 104 GLU CA C 104 61.510 61.510 61.128 0.382 19221 13708 1 14 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.651 -0.150 19221 13709 1 14 . 1 1 104 104 GLU H H 104 7.332 7.332 7.618 -0.286 19221 13710 1 14 . 1 1 105 105 SER N N 105 113.180 113.180 115.325 -2.145 19221 13711 1 14 . 1 1 105 105 SER HA H 105 4.234 4.234 4.294 -0.060 19221 13712 1 14 . 1 1 105 105 SER C C 105 177.512 177.512 176.685 0.827 19221 13713 1 14 . 1 1 105 105 SER CA C 105 62.100 62.100 60.911 1.189 19221 13714 1 14 . 1 1 105 105 SER CB C 105 62.100 62.100 62.887 -0.787 19221 13715 1 14 . 1 1 105 105 SER H H 105 8.931 8.931 8.600 0.331 19221 13716 1 14 . 1 1 106 106 PHE N N 106 123.770 123.770 123.764 0.006 19221 13717 1 14 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.453 -0.026 19221 13718 1 14 . 1 1 106 106 PHE C C 106 178.007 178.007 177.087 0.920 19221 13719 1 14 . 1 1 106 106 PHE CA C 106 61.390 61.390 60.931 0.459 19221 13720 1 14 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.428 -0.298 19221 13721 1 14 . 1 1 106 106 PHE H H 106 8.040 8.040 7.522 0.518 19221 13722 1 14 . 1 1 107 107 LEU N N 107 121.397 121.397 121.047 0.350 19221 13723 1 14 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.911 0.095 19221 13724 1 14 . 1 1 107 107 LEU C C 107 178.165 178.165 178.997 -0.832 19221 13725 1 14 . 1 1 107 107 LEU CA C 107 58.280 58.280 57.867 0.412 19221 13726 1 14 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.508 0.661 19221 13727 1 14 . 1 1 107 107 LEU H H 107 8.481 8.481 8.980 -0.499 19221 13728 1 14 . 1 1 108 108 ARG N N 108 117.450 117.450 119.770 -2.320 19221 13729 1 14 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.906 0.233 19221 13730 1 14 . 1 1 108 108 ARG C C 108 178.343 178.343 178.180 0.163 19221 13731 1 14 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.120 -0.540 19221 13732 1 14 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.179 -1.009 19221 13733 1 14 . 1 1 108 108 ARG H H 108 8.480 8.480 8.331 0.149 19221 13734 1 14 . 1 1 109 109 GLN N N 109 119.098 119.098 118.257 0.841 19221 13735 1 14 . 1 1 109 109 GLN HA H 109 4.075 4.075 3.975 0.100 19221 13736 1 14 . 1 1 109 109 GLN CA C 109 59.295 59.295 58.769 0.526 19221 13737 1 14 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.511 0.997 19221 13738 1 14 . 1 1 109 109 GLN H H 109 7.886 7.886 7.947 -0.061 19221 13739 1 14 . 1 1 110 110 LYS N N 110 121.110 121.110 121.442 -0.332 19221 13740 1 14 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.890 0.098 19221 13741 1 14 . 1 1 110 110 LYS C C 110 178.368 178.368 178.678 -0.310 19221 13742 1 14 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.873 2.677 19221 13743 1 14 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.720 -1.460 19221 13744 1 14 . 1 1 110 110 LYS H H 110 8.356 8.356 7.908 0.448 19221 13745 1 14 . 1 1 111 111 ILE N N 111 116.870 116.870 119.308 -2.438 19221 13746 1 14 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.756 0.142 19221 13747 1 14 . 1 1 111 111 ILE C C 111 178.036 178.036 177.148 0.888 19221 13748 1 14 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.456 0.645 19221 13749 1 14 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.605 -0.690 19221 13750 1 14 . 1 1 111 111 ILE H H 111 7.848 7.848 7.921 -0.073 19221 13751 1 14 . 1 1 112 112 CYS N N 112 123.990 123.990 118.660 5.330 19221 13752 1 14 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.079 0.002 19221 13753 1 14 . 1 1 112 112 CYS C C 112 176.276 176.276 176.776 -0.500 19221 13754 1 14 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.718 1.682 19221 13755 1 14 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.677 -0.306 19221 13756 1 14 . 1 1 112 112 CYS H H 112 7.473 7.473 7.529 -0.056 19221 13757 1 14 . 1 1 113 113 LEU N N 113 120.218 120.218 121.254 -1.036 19221 13758 1 14 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.804 0.039 19221 13759 1 14 . 1 1 113 113 LEU C C 113 178.584 178.584 179.063 -0.479 19221 13760 1 14 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.417 0.103 19221 13761 1 14 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.559 0.991 19221 13762 1 14 . 1 1 113 113 LEU H H 113 8.443 8.443 8.587 -0.144 19221 13763 1 14 . 1 1 114 114 MET N N 114 116.910 116.910 116.995 -0.085 19221 13764 1 14 . 1 1 114 114 MET HA H 114 3.952 3.952 4.403 -0.451 19221 13765 1 14 . 1 1 114 114 MET C C 114 178.724 178.724 177.906 0.818 19221 13766 1 14 . 1 1 114 114 MET CA C 114 60.070 60.070 58.041 2.029 19221 13767 1 14 . 1 1 114 114 MET CB C 114 32.910 32.910 31.890 1.020 19221 13768 1 14 . 1 1 114 114 MET H H 114 8.840 8.840 8.203 0.637 19221 13769 1 14 . 1 1 115 115 THR N N 115 115.670 115.670 118.574 -2.904 19221 13770 1 14 . 1 1 115 115 THR HA H 115 4.083 4.083 4.055 0.028 19221 13771 1 14 . 1 1 115 115 THR C C 115 177.434 177.434 176.668 0.766 19221 13772 1 14 . 1 1 115 115 THR CA C 115 66.740 66.740 68.041 -1.301 19221 13773 1 14 . 1 1 115 115 THR CB C 115 68.630 68.630 68.388 0.242 19221 13774 1 14 . 1 1 115 115 THR H H 115 8.095 8.095 8.300 -0.205 19221 13775 1 14 . 1 1 116 116 LEU N N 116 125.420 125.420 123.598 1.822 19221 13776 1 14 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.023 -0.168 19221 13777 1 14 . 1 1 116 116 LEU C C 116 176.903 176.903 177.798 -0.895 19221 13778 1 14 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.029 0.907 19221 13779 1 14 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.200 0.475 19221 13780 1 14 . 1 1 116 116 LEU H H 116 8.164 8.164 7.870 0.294 19221 13781 1 14 . 1 1 117 117 ILE N N 117 114.740 114.740 119.793 -5.053 19221 13782 1 14 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.458 0.161 19221 13783 1 14 . 1 1 117 117 ILE C C 117 177.806 177.806 177.804 0.002 19221 13784 1 14 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.640 -1.050 19221 13785 1 14 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.452 -1.092 19221 13786 1 14 . 1 1 117 117 ILE H H 117 8.032 8.032 7.550 0.482 19221 13787 1 14 . 1 1 118 118 GLU N N 118 121.200 121.200 120.006 1.194 19221 13788 1 14 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.037 0.163 19221 13789 1 14 . 1 1 118 118 GLU C C 118 178.314 178.314 178.788 -0.474 19221 13790 1 14 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.904 0.076 19221 13791 1 14 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.205 0.175 19221 13792 1 14 . 1 1 118 118 GLU H H 118 8.176 8.176 8.644 -0.468 19221 13793 1 14 . 1 1 119 119 THR N N 119 114.460 114.460 117.249 -2.789 19221 13794 1 14 . 1 1 119 119 THR HA H 119 3.917 3.917 3.954 -0.037 19221 13795 1 14 . 1 1 119 119 THR C C 119 175.551 175.551 177.035 -1.484 19221 13796 1 14 . 1 1 119 119 THR CA C 119 67.470 67.470 67.033 0.437 19221 13797 1 14 . 1 1 119 119 THR CB C 119 69.110 69.110 68.791 0.319 19221 13798 1 14 . 1 1 119 119 THR H H 119 8.008 8.008 7.968 0.040 19221 13799 1 14 . 1 1 120 120 VAL N N 120 118.050 118.050 121.537 -3.487 19221 13800 1 14 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.601 0.019 19221 13801 1 14 . 1 1 120 120 VAL C C 120 178.213 178.213 177.832 0.381 19221 13802 1 14 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.413 -0.393 19221 13803 1 14 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.599 0.232 19221 13804 1 14 . 1 1 120 120 VAL H H 120 7.800 7.800 8.241 -0.441 19221 13805 1 14 . 1 1 121 121 PHE N N 121 118.360 118.360 121.611 -3.251 19221 13806 1 14 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.185 0.035 19221 13807 1 14 . 1 1 121 121 PHE C C 121 178.739 178.739 177.856 0.883 19221 13808 1 14 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.564 -0.024 19221 13809 1 14 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.166 0.964 19221 13810 1 14 . 1 1 121 121 PHE H H 121 8.370 8.370 8.397 -0.027 19221 13811 1 14 . 1 1 122 122 VAL N N 122 118.710 118.710 117.368 1.342 19221 13812 1 14 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.588 0.037 19221 13813 1 14 . 1 1 122 122 VAL C C 122 178.247 178.247 177.024 1.223 19221 13814 1 14 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.340 0.510 19221 13815 1 14 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.860 0.021 19221 13816 1 14 . 1 1 122 122 VAL H H 122 8.959 8.959 8.390 0.569 19221 13817 1 14 . 1 1 123 123 LYS N N 123 115.960 115.960 117.740 -1.780 19221 13818 1 14 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.219 0.097 19221 13819 1 14 . 1 1 123 123 LYS C C 123 176.148 176.148 175.820 0.328 19221 13820 1 14 . 1 1 123 123 LYS CA C 123 56.530 56.530 56.053 0.476 19221 13821 1 14 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.095 -0.065 19221 13822 1 14 . 1 1 123 123 LYS H H 123 7.688 7.688 7.933 -0.245 19221 13823 1 14 . 1 1 124 124 ASN N N 124 117.440 117.440 117.128 0.312 19221 13824 1 14 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.347 -0.003 19221 13825 1 14 . 1 1 124 124 ASN C C 124 174.205 174.205 174.834 -0.629 19221 13826 1 14 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.828 0.092 19221 13827 1 14 . 1 1 124 124 ASN CB C 124 37.070 37.070 36.916 0.154 19221 13828 1 14 . 1 1 124 124 ASN H H 124 7.560 7.560 7.663 -0.103 19221 13829 1 14 . 1 1 125 125 ILE N N 125 116.780 116.780 117.637 -0.857 19221 13830 1 14 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.039 0.071 19221 13831 1 14 . 1 1 125 125 ILE C C 125 175.909 175.909 175.468 0.441 19221 13832 1 14 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.888 -0.318 19221 13833 1 14 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.498 1.472 19221 13834 1 14 . 1 1 125 125 ILE H H 125 7.658 7.658 8.061 -0.403 19221 13835 1 14 . 1 1 126 126 ARG N N 126 122.400 122.400 121.180 1.220 19221 13836 1 14 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.560 0.071 19221 13837 1 14 . 1 1 126 126 ARG C C 126 175.296 175.296 175.605 -0.309 19221 13838 1 14 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.647 -0.437 19221 13839 1 14 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.728 -0.511 19221 13840 1 14 . 1 1 126 126 ARG H H 126 8.658 8.658 8.465 0.193 19221 13841 1 14 . 1 1 127 127 MET N N 127 119.870 119.870 119.385 0.485 19221 13842 1 14 . 1 1 127 127 MET HA H 127 5.412 5.412 5.246 0.166 19221 13843 1 14 . 1 1 127 127 MET C C 127 174.169 174.169 173.951 0.218 19221 13844 1 14 . 1 1 127 127 MET CA C 127 55.130 55.130 54.533 0.597 19221 13845 1 14 . 1 1 127 127 MET CB C 127 35.300 35.300 35.709 -0.409 19221 13846 1 14 . 1 1 127 127 MET H H 127 7.487 7.487 7.695 -0.208 19221 13847 1 14 . 1 1 128 128 LEU N N 128 124.940 124.940 124.264 0.676 19221 13848 1 14 . 1 1 128 128 LEU HA H 128 4.890 4.890 5.004 -0.114 19221 13849 1 14 . 1 1 128 128 LEU C C 128 174.857 174.857 174.880 -0.023 19221 13850 1 14 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.489 0.681 19221 13851 1 14 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.012 -0.922 19221 13852 1 14 . 1 1 128 128 LEU H H 128 8.961 8.961 9.094 -0.133 19221 13853 1 14 . 1 1 129 129 SER N N 129 119.080 119.080 113.950 5.130 19221 13854 1 14 . 1 1 129 129 SER HA H 129 5.503 5.503 5.174 0.329 19221 13855 1 14 . 1 1 129 129 SER C C 129 176.225 176.225 175.547 0.678 19221 13856 1 14 . 1 1 129 129 SER CA C 129 56.630 56.630 57.247 -0.617 19221 13857 1 14 . 1 1 129 129 SER CB C 129 66.030 66.030 64.917 1.113 19221 13858 1 14 . 1 1 129 129 SER H H 129 9.512 9.512 8.329 1.183 19221 13859 1 14 . 1 1 130 130 PHE N N 130 120.530 120.530 123.472 -2.942 19221 13860 1 14 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.131 0.309 19221 13861 1 14 . 1 1 130 130 PHE C C 130 179.046 179.046 177.594 1.452 19221 13862 1 14 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.937 -1.206 19221 13863 1 14 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.186 -1.666 19221 13864 1 14 . 1 1 130 130 PHE H H 130 8.712 8.712 9.193 -0.481 19221 13865 1 14 . 1 1 131 131 GLU N N 131 121.180 121.180 120.161 1.019 19221 13866 1 14 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.861 0.164 19221 13867 1 14 . 1 1 131 131 GLU C C 131 178.039 178.039 178.129 -0.090 19221 13868 1 14 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.093 -0.223 19221 13869 1 14 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.050 0.420 19221 13870 1 14 . 1 1 131 131 GLU H H 131 8.961 8.961 8.687 0.274 19221 13871 1 14 . 1 1 132 132 ASP N N 132 120.930 120.930 119.482 1.448 19221 13872 1 14 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.452 -0.055 19221 13873 1 14 . 1 1 132 132 ASP C C 132 180.369 180.369 178.768 1.601 19221 13874 1 14 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.166 0.524 19221 13875 1 14 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.742 -0.002 19221 13876 1 14 . 1 1 132 132 ASP H H 132 8.369 8.369 7.722 0.647 19221 13877 1 14 . 1 1 133 133 ILE N N 133 120.360 120.360 119.426 0.934 19221 13878 1 14 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.594 -0.085 19221 13879 1 14 . 1 1 133 133 ILE C C 133 178.895 178.895 178.167 0.728 19221 13880 1 14 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.642 0.638 19221 13881 1 14 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.705 -0.175 19221 13882 1 14 . 1 1 133 133 ILE H H 133 8.062 8.062 7.840 0.222 19221 13883 1 14 . 1 1 134 134 SER N N 134 120.050 120.050 116.933 3.117 19221 13884 1 14 . 1 1 134 134 SER HA H 134 4.074 4.074 4.186 -0.112 19221 13885 1 14 . 1 1 134 134 SER C C 134 176.934 176.934 176.254 0.680 19221 13886 1 14 . 1 1 134 134 SER CA C 134 61.240 61.240 61.515 -0.275 19221 13887 1 14 . 1 1 134 134 SER CB C 134 63.400 63.400 62.978 0.422 19221 13888 1 14 . 1 1 134 134 SER H H 134 8.823 8.823 8.480 0.343 19221 13889 1 14 . 1 1 135 135 LYS N N 135 119.060 119.060 120.919 -1.859 19221 13890 1 14 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.990 -0.060 19221 13891 1 14 . 1 1 135 135 LYS C C 135 178.986 178.986 178.667 0.319 19221 13892 1 14 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.149 1.121 19221 13893 1 14 . 1 1 135 135 LYS CB C 135 32.470 32.470 31.861 0.609 19221 13894 1 14 . 1 1 135 135 LYS H H 135 8.258 8.258 7.975 0.283 19221 13895 1 14 . 1 1 136 136 ALA N N 136 118.350 118.350 119.463 -1.113 19221 13896 1 14 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.246 -0.044 19221 13897 1 14 . 1 1 136 136 ALA C C 136 178.653 178.653 177.039 1.614 19221 13898 1 14 . 1 1 136 136 ALA CA C 136 54.480 54.480 53.752 0.728 19221 13899 1 14 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.085 -0.244 19221 13900 1 14 . 1 1 136 136 ALA H H 136 7.538 7.538 8.012 -0.474 19221 13901 1 14 . 1 1 137 137 THR N N 137 101.770 101.770 107.742 -5.972 19221 13902 1 14 . 1 1 137 137 THR HA H 137 4.274 4.274 4.290 -0.016 19221 13903 1 14 . 1 1 137 137 THR C C 137 172.932 172.932 174.635 -1.703 19221 13904 1 14 . 1 1 137 137 THR CA C 137 61.990 61.990 61.873 0.117 19221 13905 1 14 . 1 1 137 137 THR CB C 137 71.200 71.200 71.416 -0.216 19221 13906 1 14 . 1 1 137 137 THR H H 137 7.777 7.777 7.334 0.443 19221 13907 1 14 . 1 1 138 138 HIS N N 138 113.660 113.660 118.904 -5.244 19221 13908 1 14 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.171 -0.212 19221 13909 1 14 . 1 1 138 138 HIS C C 138 173.700 173.700 174.138 -0.438 19221 13910 1 14 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.882 -1.552 19221 13911 1 14 . 1 1 138 138 HIS CB C 138 25.410 25.410 28.512 -3.103 19221 13912 1 14 . 1 1 138 138 HIS H H 138 7.567 7.567 8.221 -0.654 19221 13913 1 14 . 1 1 139 139 LEU N N 139 120.070 120.070 121.071 -1.001 19221 13914 1 14 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.718 0.125 19221 13915 1 14 . 1 1 139 139 LEU C C 139 174.376 174.376 175.622 -1.246 19221 13916 1 14 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.259 -0.389 19221 13917 1 14 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.370 2.380 19221 13918 1 14 . 1 1 139 139 LEU H H 139 7.513 7.513 7.465 0.048 19221 13919 1 14 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.546 -0.155 19221 13920 1 14 . 1 1 140 140 PRO C C 140 177.985 177.985 178.184 -0.199 19221 13921 1 14 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.418 -0.028 19221 13922 1 14 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.471 -0.401 19221 13923 1 14 . 1 1 141 141 LYS N N 141 123.930 123.930 120.934 2.996 19221 13924 1 14 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.837 -0.018 19221 13925 1 14 . 1 1 141 141 LYS C C 141 178.083 178.083 177.960 0.123 19221 13926 1 14 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.455 0.375 19221 13927 1 14 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.173 -0.283 19221 13928 1 14 . 1 1 141 141 LYS H H 141 8.950 8.950 8.723 0.227 19221 13929 1 14 . 1 1 142 142 ASP N N 142 114.510 114.510 115.442 -0.932 19221 13930 1 14 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.520 -0.025 19221 13931 1 14 . 1 1 142 142 ASP C C 142 176.656 176.656 176.734 -0.078 19221 13932 1 14 . 1 1 142 142 ASP CA C 142 55.590 55.590 55.776 -0.186 19221 13933 1 14 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.806 -1.066 19221 13934 1 14 . 1 1 142 142 ASP H H 142 8.491 8.491 8.276 0.215 19221 13935 1 14 . 1 1 143 143 ASN N N 143 116.400 116.400 115.468 0.932 19221 13936 1 14 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.678 0.388 19221 13937 1 14 . 1 1 143 143 ASN C C 143 175.954 175.954 176.399 -0.445 19221 13938 1 14 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.306 -0.086 19221 13939 1 14 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.631 0.319 19221 13940 1 14 . 1 1 143 143 ASN H H 143 8.191 8.191 7.866 0.325 19221 13941 1 14 . 1 1 144 144 VAL N N 144 120.490 120.490 121.938 -1.448 19221 13942 1 14 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.569 -0.246 19221 13943 1 14 . 1 1 144 144 VAL C C 144 176.423 176.423 175.871 0.552 19221 13944 1 14 . 1 1 144 144 VAL CA C 144 66.990 66.990 65.078 1.912 19221 13945 1 14 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.507 -0.067 19221 13946 1 14 . 1 1 144 144 VAL H H 144 7.472 7.472 8.182 -0.710 19221 13947 1 14 . 1 1 145 145 GLU N N 145 122.340 122.340 118.718 3.622 19221 13948 1 14 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.520 -0.259 19221 13949 1 14 . 1 1 145 145 GLU C C 145 177.853 177.853 178.187 -0.334 19221 13950 1 14 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.188 1.642 19221 13951 1 14 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.352 0.458 19221 13952 1 14 . 1 1 145 145 GLU H H 145 9.141 9.141 8.037 1.104 19221 13953 1 14 . 1 1 146 146 HIS N N 146 116.970 116.970 118.067 -1.097 19221 13954 1 14 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.453 -0.279 19221 13955 1 14 . 1 1 146 146 HIS C C 146 177.947 177.947 177.640 0.307 19221 13956 1 14 . 1 1 146 146 HIS CA C 146 59.540 59.540 57.554 1.986 19221 13957 1 14 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.604 0.846 19221 13958 1 14 . 1 1 146 146 HIS H H 146 8.162 8.162 7.397 0.765 19221 13959 1 14 . 1 1 147 147 LEU N N 147 120.670 120.670 120.767 -0.097 19221 13960 1 14 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.222 -0.262 19221 13961 1 14 . 1 1 147 147 LEU C C 147 178.427 178.427 178.521 -0.094 19221 13962 1 14 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.885 0.385 19221 13963 1 14 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.508 0.228 19221 13964 1 14 . 1 1 147 147 LEU H H 147 7.336 7.336 7.576 -0.240 19221 13965 1 14 . 1 1 148 148 VAL N N 148 118.060 118.060 116.909 1.151 19221 13966 1 14 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.700 -0.477 19221 13967 1 14 . 1 1 148 148 VAL C C 148 177.801 177.801 178.134 -0.333 19221 13968 1 14 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.675 1.286 19221 13969 1 14 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.576 0.434 19221 13970 1 14 . 1 1 148 148 VAL H H 148 8.172 8.172 7.530 0.642 19221 13971 1 14 . 1 1 149 149 MET N N 149 117.770 117.770 120.166 -2.396 19221 13972 1 14 . 1 1 149 149 MET HA H 149 4.123 4.123 4.049 0.074 19221 13973 1 14 . 1 1 149 149 MET C C 149 179.823 179.823 178.684 1.139 19221 13974 1 14 . 1 1 149 149 MET CA C 149 58.630 58.630 59.577 -0.946 19221 13975 1 14 . 1 1 149 149 MET CB C 149 31.496 31.496 32.029 -0.533 19221 13976 1 14 . 1 1 149 149 MET H H 149 8.585 8.585 8.705 -0.120 19221 13977 1 14 . 1 1 150 150 ARG N N 150 121.900 121.900 119.556 2.344 19221 13978 1 14 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.023 0.071 19221 13979 1 14 . 1 1 150 150 ARG C C 150 177.928 177.928 178.305 -0.377 19221 13980 1 14 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.211 -1.061 19221 13981 1 14 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.679 -0.929 19221 13982 1 14 . 1 1 150 150 ARG H H 150 8.160 8.160 8.238 -0.078 19221 13983 1 14 . 1 1 151 151 ALA N N 151 121.710 121.710 122.331 -0.621 19221 13984 1 14 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.943 -0.145 19221 13985 1 14 . 1 1 151 151 ALA C C 151 179.518 179.518 179.440 0.078 19221 13986 1 14 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.146 0.594 19221 13987 1 14 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.326 -0.436 19221 13988 1 14 . 1 1 151 151 ALA H H 151 8.165 8.165 7.844 0.321 19221 13989 1 14 . 1 1 152 152 ILE N N 152 118.590 118.590 118.439 0.151 19221 13990 1 14 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.783 0.599 19221 13991 1 14 . 1 1 152 152 ILE C C 152 181.439 181.439 179.282 2.157 19221 13992 1 14 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.746 -0.186 19221 13993 1 14 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.944 0.756 19221 13994 1 14 . 1 1 152 152 ILE H H 152 8.331 8.331 8.400 -0.069 19221 13995 1 14 . 1 1 153 153 SER N N 153 120.250 120.250 116.693 3.557 19221 13996 1 14 . 1 1 153 153 SER HA H 153 4.279 4.279 4.246 0.033 19221 13997 1 14 . 1 1 153 153 SER C C 153 176.745 176.745 176.106 0.639 19221 13998 1 14 . 1 1 153 153 SER CA C 153 62.040 62.040 61.651 0.389 19221 13999 1 14 . 1 1 153 153 SER CB C 153 62.930 62.930 63.165 -0.235 19221 14000 1 14 . 1 1 153 153 SER H H 153 8.756 8.756 8.144 0.612 19221 14001 1 14 . 1 1 154 154 LEU N N 154 119.480 119.480 118.879 0.601 19221 14002 1 14 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.282 0.063 19221 14003 1 14 . 1 1 154 154 LEU C C 154 177.351 177.351 177.296 0.055 19221 14004 1 14 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.764 -0.309 19221 14005 1 14 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.975 2.025 19221 14006 1 14 . 1 1 154 154 LEU H H 154 8.129 8.129 8.268 -0.139 19221 14007 1 14 . 1 1 155 155 GLY N N 155 106.990 106.990 105.951 1.039 19221 14008 1 14 . 1 1 155 155 GLY C C 155 174.867 174.867 175.639 -0.772 19221 14009 1 14 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.005 -0.206 19221 14010 1 14 . 1 1 155 155 GLY H H 155 8.023 8.023 7.914 0.109 19221 14011 1 14 . 1 1 156 156 LEU N N 156 116.510 116.510 119.486 -2.976 19221 14012 1 14 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.134 0.126 19221 14013 1 14 . 1 1 156 156 LEU C C 156 175.387 175.387 175.818 -0.431 19221 14014 1 14 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.121 -0.191 19221 14015 1 14 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.064 1.156 19221 14016 1 14 . 1 1 156 156 LEU H H 156 8.101 8.101 7.606 0.495 19221 14017 1 14 . 1 1 157 157 LEU N N 157 112.790 112.790 111.328 1.462 19221 14018 1 14 . 1 1 157 157 LEU HA H 157 5.000 5.000 4.985 0.015 19221 14019 1 14 . 1 1 157 157 LEU C C 157 175.382 175.382 174.884 0.498 19221 14020 1 14 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.736 -0.096 19221 14021 1 14 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.233 1.327 19221 14022 1 14 . 1 1 157 157 LEU H H 157 7.194 7.194 7.336 -0.142 19221 14023 1 14 . 1 1 158 158 LYS N N 158 121.010 121.010 119.971 1.039 19221 14024 1 14 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.783 0.012 19221 14025 1 14 . 1 1 158 158 LYS C C 158 175.461 175.461 175.411 0.050 19221 14026 1 14 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.792 0.268 19221 14027 1 14 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.302 1.888 19221 14028 1 14 . 1 1 158 158 LYS H H 158 9.056 9.056 8.822 0.234 19221 14029 1 14 . 1 1 159 159 GLY N N 159 109.800 109.800 111.492 -1.692 19221 14030 1 14 . 1 1 159 159 GLY C C 159 170.992 170.992 172.931 -1.939 19221 14031 1 14 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.241 0.899 19221 14032 1 14 . 1 1 159 159 GLY H H 159 8.287 8.287 8.101 0.186 19221 14033 1 14 . 1 1 160 160 SER N N 160 112.940 112.940 114.158 -1.218 19221 14034 1 14 . 1 1 160 160 SER HA H 160 4.780 4.780 4.788 -0.008 19221 14035 1 14 . 1 1 160 160 SER C C 160 172.525 172.525 173.257 -0.732 19221 14036 1 14 . 1 1 160 160 SER CA C 160 56.840 56.840 57.601 -0.761 19221 14037 1 14 . 1 1 160 160 SER CB C 160 65.660 65.660 66.642 -0.982 19221 14038 1 14 . 1 1 160 160 SER H H 160 8.847 8.847 8.886 -0.039 19221 14039 1 14 . 1 1 161 161 ILE N N 161 123.020 123.020 123.396 -0.376 19221 14040 1 14 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.402 0.004 19221 14041 1 14 . 1 1 161 161 ILE C C 161 174.457 174.457 176.383 -1.926 19221 14042 1 14 . 1 1 161 161 ILE CA C 161 61.419 61.419 60.815 0.604 19221 14043 1 14 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.985 1.243 19221 14044 1 14 . 1 1 161 161 ILE H H 161 8.867 8.867 8.694 0.173 19221 14045 1 14 . 1 1 162 162 ASP N N 162 128.130 128.130 128.045 0.085 19221 14046 1 14 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.865 0.051 19221 14047 1 14 . 1 1 162 162 ASP C C 162 176.575 176.575 176.278 0.297 19221 14048 1 14 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.542 -0.802 19221 14049 1 14 . 1 1 162 162 ASP CB C 162 41.140 41.140 41.275 -0.135 19221 14050 1 14 . 1 1 162 162 ASP H H 162 8.955 8.955 8.644 0.311 19221 14051 1 14 . 1 1 163 163 GLN N N 163 123.480 123.480 124.310 -0.830 19221 14052 1 14 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.147 -0.294 19221 14053 1 14 . 1 1 163 163 GLN C C 163 177.627 177.627 177.829 -0.202 19221 14054 1 14 . 1 1 163 163 GLN CA C 163 59.210 59.210 59.024 0.186 19221 14055 1 14 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.692 0.229 19221 14056 1 14 . 1 1 163 163 GLN H H 163 8.982 8.982 8.872 0.110 19221 14057 1 14 . 1 1 164 164 VAL N N 164 119.220 119.220 120.199 -0.979 19221 14058 1 14 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.756 -0.073 19221 14059 1 14 . 1 1 164 164 VAL C C 164 177.519 177.519 177.413 0.106 19221 14060 1 14 . 1 1 164 164 VAL CA C 164 65.770 65.770 65.247 0.523 19221 14061 1 14 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.078 0.853 19221 14062 1 14 . 1 1 164 164 VAL H H 164 7.974 7.974 8.055 -0.081 19221 14063 1 14 . 1 1 165 165 ASN N N 165 114.430 114.430 114.103 0.327 19221 14064 1 14 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.715 -0.114 19221 14065 1 14 . 1 1 165 165 ASN C C 165 172.795 172.795 174.195 -1.400 19221 14066 1 14 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.190 -0.290 19221 14067 1 14 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.149 -0.319 19221 14068 1 14 . 1 1 165 165 ASN H H 165 7.502 7.502 8.143 -0.641 19221 14069 1 14 . 1 1 166 166 GLU N N 166 116.970 116.970 115.158 1.812 19221 14070 1 14 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.609 -0.595 19221 14071 1 14 . 1 1 166 166 GLU C C 166 174.562 174.562 173.802 0.760 19221 14072 1 14 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.584 -0.356 19221 14073 1 14 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.740 0.076 19221 14074 1 14 . 1 1 166 166 GLU H H 166 7.268 7.268 7.489 -0.221 19221 14075 1 14 . 1 1 167 167 LEU N N 167 117.360 117.360 115.718 1.642 19221 14076 1 14 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.070 -0.072 19221 14077 1 14 . 1 1 167 167 LEU C C 167 175.659 175.659 175.583 0.076 19221 14078 1 14 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.100 0.570 19221 14079 1 14 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.179 1.131 19221 14080 1 14 . 1 1 167 167 LEU H H 167 7.699 7.699 7.791 -0.092 19221 14081 1 14 . 1 1 168 168 VAL N N 168 125.350 125.350 118.504 6.846 19221 14082 1 14 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.838 0.002 19221 14083 1 14 . 1 1 168 168 VAL C C 168 174.792 174.792 174.919 -0.127 19221 14084 1 14 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.412 -0.282 19221 14085 1 14 . 1 1 168 168 VAL CB C 168 34.349 34.349 35.976 -1.627 19221 14086 1 14 . 1 1 168 168 VAL H H 168 9.445 9.445 8.959 0.486 19221 14087 1 14 . 1 1 169 169 THR N N 169 123.020 123.020 122.996 0.024 19221 14088 1 14 . 1 1 169 169 THR HA H 169 4.869 4.869 5.116 -0.247 19221 14089 1 14 . 1 1 169 169 THR C C 169 173.876 173.876 173.712 0.164 19221 14090 1 14 . 1 1 169 169 THR CA C 169 61.580 61.580 61.882 -0.302 19221 14091 1 14 . 1 1 169 169 THR CB C 169 69.750 69.750 70.058 -0.308 19221 14092 1 14 . 1 1 169 169 THR H H 169 8.824 8.824 9.151 -0.327 19221 14093 1 14 . 1 1 170 170 ILE N N 170 126.700 126.700 127.035 -0.335 19221 14094 1 14 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.439 0.103 19221 14095 1 14 . 1 1 170 170 ILE C C 170 175.672 175.672 175.364 0.308 19221 14096 1 14 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.467 -0.137 19221 14097 1 14 . 1 1 170 170 ILE CB C 170 39.610 39.610 39.743 -0.133 19221 14098 1 14 . 1 1 170 170 ILE H H 170 8.911 8.911 8.671 0.240 19221 14099 1 14 . 1 1 171 171 SER N N 171 122.780 122.780 119.333 3.447 19221 14100 1 14 . 1 1 171 171 SER HA H 171 4.670 4.670 4.741 -0.071 19221 14101 1 14 . 1 1 171 171 SER C C 171 174.700 174.700 173.489 1.211 19221 14102 1 14 . 1 1 171 171 SER CA C 171 58.280 58.280 58.941 -0.661 19221 14103 1 14 . 1 1 171 171 SER CB C 171 64.560 64.560 65.525 -0.965 19221 14104 1 14 . 1 1 171 171 SER H H 171 9.242 9.242 9.163 0.079 19221 14105 1 14 . 1 1 172 172 TRP N N 172 123.970 123.970 120.743 3.227 19221 14106 1 14 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.893 -0.258 19221 14107 1 14 . 1 1 172 172 TRP C C 172 172.618 172.618 173.420 -0.802 19221 14108 1 14 . 1 1 172 172 TRP CA C 172 58.910 58.910 57.955 0.955 19221 14109 1 14 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.436 -0.786 19221 14110 1 14 . 1 1 172 172 TRP H H 172 7.929 7.929 7.755 0.174 19221 14111 1 14 . 1 1 173 173 VAL N N 173 123.660 123.660 122.993 0.667 19221 14112 1 14 . 1 1 173 173 VAL HA H 173 4.130 4.130 3.901 0.229 19221 14113 1 14 . 1 1 173 173 VAL C C 173 170.746 170.746 172.454 -1.708 19221 14114 1 14 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.507 -0.407 19221 14115 1 14 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.687 0.533 19221 14116 1 14 . 1 1 173 173 VAL H H 173 6.764 6.764 7.377 -0.613 19221 14117 1 14 . 1 1 174 174 GLN N N 174 126.430 126.430 126.970 -0.540 19221 14118 1 14 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.917 -0.311 19221 14119 1 14 . 1 1 174 174 GLN C C 174 172.955 172.955 174.069 -1.114 19221 14120 1 14 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.845 -0.795 19221 14121 1 14 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.758 1.002 19221 14122 1 14 . 1 1 174 174 GLN H H 174 7.071 7.071 7.940 -0.869 19221 14123 1 14 . 1 1 175 175 PRO HA H 175 3.861 3.861 2.901 0.960 19221 14124 1 14 . 1 1 175 175 PRO C C 175 175.955 175.955 175.204 0.751 19221 14125 1 14 . 1 1 175 175 PRO CA C 175 62.750 62.750 62.636 0.114 19221 14126 1 14 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.210 0.190 19221 14127 1 15 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.126 0.014 19221 14128 1 15 . 1 1 2 2 LYS CA C 2 56.090 56.090 54.962 1.128 19221 14129 1 15 . 1 1 2 2 LYS CB C 2 32.930 32.930 34.690 -1.760 19221 14130 1 15 . 1 1 4 4 ASP C C 4 176.140 176.140 176.331 -0.191 19221 14131 1 15 . 1 1 4 4 ASP CA C 4 55.530 55.530 55.106 0.424 19221 14132 1 15 . 1 1 4 4 ASP CB C 4 41.980 41.980 40.658 1.322 19221 14133 1 15 . 1 1 5 5 PHE N N 5 122.270 122.270 119.847 2.423 19221 14134 1 15 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.418 -0.239 19221 14135 1 15 . 1 1 5 5 PHE C C 5 177.706 177.706 177.278 0.428 19221 14136 1 15 . 1 1 5 5 PHE CA C 5 61.880 61.880 60.727 1.153 19221 14137 1 15 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.774 0.126 19221 14138 1 15 . 1 1 5 5 PHE H H 5 7.853 7.853 8.794 -0.941 19221 14139 1 15 . 1 1 6 6 ASN N N 6 114.920 114.920 118.968 -4.048 19221 14140 1 15 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.433 -0.032 19221 14141 1 15 . 1 1 6 6 ASN C C 6 176.990 176.990 177.328 -0.338 19221 14142 1 15 . 1 1 6 6 ASN CA C 6 56.470 56.470 57.092 -0.622 19221 14143 1 15 . 1 1 6 6 ASN CB C 6 39.223 39.223 37.879 1.344 19221 14144 1 15 . 1 1 6 6 ASN H H 6 8.051 8.051 8.957 -0.906 19221 14145 1 15 . 1 1 7 7 SER N N 7 112.970 112.970 117.170 -4.200 19221 14146 1 15 . 1 1 7 7 SER HA H 7 4.435 4.435 4.285 0.150 19221 14147 1 15 . 1 1 7 7 SER C C 7 177.780 177.780 176.449 1.331 19221 14148 1 15 . 1 1 7 7 SER CA C 7 61.440 61.440 61.640 -0.200 19221 14149 1 15 . 1 1 7 7 SER CB C 7 62.770 62.770 62.972 -0.202 19221 14150 1 15 . 1 1 7 7 SER H H 7 8.041 8.041 7.882 0.159 19221 14151 1 15 . 1 1 8 8 PHE N N 8 123.560 123.560 123.221 0.339 19221 14152 1 15 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.279 -0.212 19221 14153 1 15 . 1 1 8 8 PHE C C 8 177.959 177.959 177.357 0.602 19221 14154 1 15 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.361 0.749 19221 14155 1 15 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.302 -0.336 19221 14156 1 15 . 1 1 8 8 PHE H H 8 8.364 8.364 7.726 0.638 19221 14157 1 15 . 1 1 9 9 TYR N N 9 122.550 122.550 121.950 0.600 19221 14158 1 15 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.058 -0.058 19221 14159 1 15 . 1 1 9 9 TYR C C 9 176.360 176.360 176.916 -0.556 19221 14160 1 15 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.245 -0.235 19221 14161 1 15 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.433 -0.233 19221 14162 1 15 . 1 1 9 9 TYR H H 9 8.230 8.230 9.312 -1.082 19221 14163 1 15 . 1 1 10 10 TYR N N 10 115.490 115.490 119.033 -3.543 19221 14164 1 15 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.145 -0.039 19221 14165 1 15 . 1 1 10 10 TYR C C 10 180.280 180.280 177.510 2.770 19221 14166 1 15 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.908 0.612 19221 14167 1 15 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.641 -0.711 19221 14168 1 15 . 1 1 10 10 TYR H H 10 7.958 7.958 8.763 -0.805 19221 14169 1 15 . 1 1 11 11 THR N N 11 115.140 115.140 116.791 -1.651 19221 14170 1 15 . 1 1 11 11 THR HA H 11 3.934 3.934 3.709 0.225 19221 14171 1 15 . 1 1 11 11 THR CA C 11 66.560 66.560 67.208 -0.648 19221 14172 1 15 . 1 1 11 11 THR CB C 11 68.750 68.750 67.966 0.784 19221 14173 1 15 . 1 1 11 11 THR H H 11 8.806 8.806 8.554 0.252 19221 14174 1 15 . 1 1 12 12 SER N N 12 120.384 120.384 118.009 2.375 19221 14175 1 15 . 1 1 12 12 SER HA H 12 3.346 3.346 4.213 -0.867 19221 14176 1 15 . 1 1 12 12 SER C C 12 175.891 175.891 176.501 -0.610 19221 14177 1 15 . 1 1 12 12 SER CA C 12 62.740 62.740 62.271 0.469 19221 14178 1 15 . 1 1 12 12 SER CB C 12 62.580 62.580 63.013 -0.433 19221 14179 1 15 . 1 1 12 12 SER H H 12 8.151 8.151 8.076 0.075 19221 14180 1 15 . 1 1 13 13 LEU N N 13 121.640 121.640 121.753 -0.113 19221 14181 1 15 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.948 -0.147 19221 14182 1 15 . 1 1 13 13 LEU C C 13 180.374 180.374 178.237 2.137 19221 14183 1 15 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.372 0.978 19221 14184 1 15 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.757 -0.347 19221 14185 1 15 . 1 1 13 13 LEU H H 13 7.893 7.893 7.876 0.017 19221 14186 1 15 . 1 1 14 14 LEU N N 14 120.470 120.470 120.517 -0.047 19221 14187 1 15 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.770 0.391 19221 14188 1 15 . 1 1 14 14 LEU C C 14 179.880 179.880 178.337 1.543 19221 14189 1 15 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.651 0.349 19221 14190 1 15 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.679 -0.129 19221 14191 1 15 . 1 1 14 14 LEU H H 14 7.528 7.528 8.176 -0.648 19221 14192 1 15 . 1 1 15 15 TYR N N 15 122.257 122.257 119.197 3.060 19221 14193 1 15 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.190 0.075 19221 14194 1 15 . 1 1 15 15 TYR C C 15 177.033 177.033 177.645 -0.612 19221 14195 1 15 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.998 -0.268 19221 14196 1 15 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.292 -0.192 19221 14197 1 15 . 1 1 15 15 TYR H H 15 8.135 8.135 8.398 -0.263 19221 14198 1 15 . 1 1 16 16 LEU N N 16 118.440 118.440 117.349 1.091 19221 14199 1 15 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.760 0.045 19221 14200 1 15 . 1 1 16 16 LEU C C 16 179.055 179.055 177.834 1.221 19221 14201 1 15 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.306 -0.092 19221 14202 1 15 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.665 0.400 19221 14203 1 15 . 1 1 16 16 LEU H H 16 8.452 8.452 7.504 0.948 19221 14204 1 15 . 1 1 17 17 SER N N 17 114.450 114.450 111.546 2.904 19221 14205 1 15 . 1 1 17 17 SER HA H 17 4.430 4.430 4.231 0.199 19221 14206 1 15 . 1 1 17 17 SER C C 17 175.197 175.197 175.892 -0.695 19221 14207 1 15 . 1 1 17 17 SER CA C 17 61.040 61.040 60.355 0.685 19221 14208 1 15 . 1 1 17 17 SER CB C 17 63.460 63.460 63.921 -0.461 19221 14209 1 15 . 1 1 17 17 SER H H 17 7.848 7.848 7.574 0.274 19221 14210 1 15 . 1 1 18 18 THR N N 18 110.850 110.850 112.608 -1.758 19221 14211 1 15 . 1 1 18 18 THR HA H 18 4.452 4.452 4.167 0.285 19221 14212 1 15 . 1 1 18 18 THR C C 18 174.439 174.439 175.299 -0.860 19221 14213 1 15 . 1 1 18 18 THR CA C 18 61.421 61.421 63.220 -1.799 19221 14214 1 15 . 1 1 18 18 THR CB C 18 69.940 69.940 69.469 0.471 19221 14215 1 15 . 1 1 18 18 THR H H 18 7.505 7.505 7.851 -0.346 19221 14216 1 15 . 1 1 19 19 LEU N N 19 123.180 123.180 122.532 0.648 19221 14217 1 15 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.016 0.144 19221 14218 1 15 . 1 1 19 19 LEU C C 19 176.926 176.926 175.643 1.283 19221 14219 1 15 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.905 -0.615 19221 14220 1 15 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.624 -0.176 19221 14221 1 15 . 1 1 19 19 LEU H H 19 7.095 7.095 7.311 -0.216 19221 14222 1 15 . 1 1 20 20 GLU N N 20 125.330 125.330 118.088 7.242 19221 14223 1 15 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.754 -0.146 19221 14224 1 15 . 1 1 20 20 GLU C C 20 175.915 175.915 174.903 1.012 19221 14225 1 15 . 1 1 20 20 GLU CA C 20 54.773 54.773 53.697 1.075 19221 14226 1 15 . 1 1 20 20 GLU CB C 20 29.590 29.590 31.744 -2.154 19221 14227 1 15 . 1 1 20 20 GLU H H 20 8.535 8.535 8.073 0.462 19221 14228 1 15 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.354 -0.021 19221 14229 1 15 . 1 1 21 21 PRO C C 21 177.196 177.196 177.201 -0.005 19221 14230 1 15 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.865 -0.085 19221 14231 1 15 . 1 1 21 21 PRO CB C 21 31.850 31.850 32.029 -0.179 19221 14232 1 15 . 1 1 22 22 SER N N 22 111.220 111.220 112.583 -1.363 19221 14233 1 15 . 1 1 22 22 SER HA H 22 4.398 4.398 4.242 0.156 19221 14234 1 15 . 1 1 22 22 SER C C 22 175.056 175.056 175.475 -0.419 19221 14235 1 15 . 1 1 22 22 SER CA C 22 58.530 58.530 60.374 -1.844 19221 14236 1 15 . 1 1 22 22 SER CB C 22 63.500 63.500 63.289 0.211 19221 14237 1 15 . 1 1 22 22 SER H H 22 7.967 7.967 8.429 -0.462 19221 14238 1 15 . 1 1 23 23 THR N N 23 117.440 117.440 108.828 8.612 19221 14239 1 15 . 1 1 23 23 THR HA H 23 4.279 4.279 4.461 -0.182 19221 14240 1 15 . 1 1 23 23 THR C C 23 174.573 174.573 175.027 -0.454 19221 14241 1 15 . 1 1 23 23 THR CA C 23 62.920 62.920 61.531 1.389 19221 14242 1 15 . 1 1 23 23 THR CB C 23 69.260 69.260 70.562 -1.302 19221 14243 1 15 . 1 1 23 23 THR H H 23 7.936 7.936 7.836 0.100 19221 14244 1 15 . 1 1 24 24 SER N N 24 119.820 119.820 117.208 2.612 19221 14245 1 15 . 1 1 24 24 SER HA H 24 4.485 4.485 3.971 0.514 19221 14246 1 15 . 1 1 24 24 SER C C 24 174.082 174.082 173.538 0.544 19221 14247 1 15 . 1 1 24 24 SER CA C 24 58.600 58.600 59.535 -0.935 19221 14248 1 15 . 1 1 24 24 SER CB C 24 63.430 63.430 63.115 0.315 19221 14249 1 15 . 1 1 24 24 SER H H 24 8.438 8.438 7.938 0.500 19221 14250 1 15 . 1 1 25 25 ILE N N 25 123.140 123.140 119.826 3.314 19221 14251 1 15 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.440 0.039 19221 14252 1 15 . 1 1 25 25 ILE C C 25 176.472 176.472 175.302 1.170 19221 14253 1 15 . 1 1 25 25 ILE CA C 25 61.010 61.010 59.760 1.250 19221 14254 1 15 . 1 1 25 25 ILE CB C 25 39.460 39.460 41.228 -1.768 19221 14255 1 15 . 1 1 25 25 ILE H H 25 7.870 7.870 7.996 -0.126 19221 14256 1 15 . 1 1 26 26 THR N N 26 118.120 118.120 115.024 3.096 19221 14257 1 15 . 1 1 26 26 THR HA H 26 4.394 4.394 4.515 -0.121 19221 14258 1 15 . 1 1 26 26 THR C C 26 175.540 175.540 175.369 0.171 19221 14259 1 15 . 1 1 26 26 THR CA C 26 61.890 61.890 60.935 0.955 19221 14260 1 15 . 1 1 26 26 THR CB C 26 71.320 71.320 70.280 1.040 19221 14261 1 15 . 1 1 26 26 THR H H 26 8.649 8.649 8.286 0.363 19221 14262 1 15 . 1 1 27 27 LEU N N 27 123.130 123.130 121.700 1.430 19221 14263 1 15 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.095 -0.006 19221 14264 1 15 . 1 1 27 27 LEU C C 27 178.653 178.653 178.250 0.403 19221 14265 1 15 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.833 0.927 19221 14266 1 15 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.443 -0.263 19221 14267 1 15 . 1 1 27 27 LEU H H 27 8.766 8.766 8.494 0.272 19221 14268 1 15 . 1 1 28 28 ALA N N 28 119.510 119.510 120.935 -1.425 19221 14269 1 15 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.066 0.197 19221 14270 1 15 . 1 1 28 28 ALA C C 28 178.218 178.218 179.992 -1.774 19221 14271 1 15 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.886 0.434 19221 14272 1 15 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.106 0.014 19221 14273 1 15 . 1 1 28 28 ALA H H 28 8.546 8.546 8.327 0.219 19221 14274 1 15 . 1 1 29 29 GLU N N 29 118.210 118.210 117.818 0.392 19221 14275 1 15 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.118 -0.037 19221 14276 1 15 . 1 1 29 29 GLU C C 29 179.929 179.929 179.383 0.546 19221 14277 1 15 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.168 0.132 19221 14278 1 15 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.483 0.593 19221 14279 1 15 . 1 1 29 29 GLU H H 29 7.719 7.719 8.007 -0.288 19221 14280 1 15 . 1 1 30 30 ARG N N 30 121.350 121.350 120.510 0.840 19221 14281 1 15 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.014 -0.055 19221 14282 1 15 . 1 1 30 30 ARG C C 30 177.538 177.538 178.877 -1.339 19221 14283 1 15 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.801 0.844 19221 14284 1 15 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.090 0.910 19221 14285 1 15 . 1 1 30 30 ARG H H 30 8.410 8.410 8.061 0.349 19221 14286 1 15 . 1 1 31 31 GLN N N 31 117.670 117.670 118.995 -1.325 19221 14287 1 15 . 1 1 31 31 GLN HA H 31 3.952 3.952 3.937 0.015 19221 14288 1 15 . 1 1 31 31 GLN C C 31 178.220 178.220 178.947 -0.727 19221 14289 1 15 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.157 -0.202 19221 14290 1 15 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.526 0.104 19221 14291 1 15 . 1 1 31 31 GLN H H 31 8.742 8.742 8.541 0.201 19221 14292 1 15 . 1 1 32 32 GLN N N 32 117.910 117.910 118.834 -0.924 19221 14293 1 15 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.174 -0.187 19221 14294 1 15 . 1 1 32 32 GLN C C 32 177.712 177.712 178.758 -1.046 19221 14295 1 15 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.523 -0.193 19221 14296 1 15 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.458 -0.138 19221 14297 1 15 . 1 1 32 32 GLN H H 32 7.732 7.732 7.800 -0.068 19221 14298 1 15 . 1 1 33 33 LEU N N 33 119.680 119.680 121.311 -1.631 19221 14299 1 15 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.072 0.332 19221 14300 1 15 . 1 1 33 33 LEU C C 33 178.876 178.876 178.227 0.649 19221 14301 1 15 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.626 0.424 19221 14302 1 15 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.528 0.272 19221 14303 1 15 . 1 1 33 33 LEU H H 33 7.846 7.846 8.496 -0.650 19221 14304 1 15 . 1 1 34 34 ALA N N 34 121.660 121.660 121.979 -0.319 19221 14305 1 15 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.983 -0.242 19221 14306 1 15 . 1 1 34 34 ALA C C 34 180.025 180.025 179.356 0.669 19221 14307 1 15 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.320 0.350 19221 14308 1 15 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.077 0.863 19221 14309 1 15 . 1 1 34 34 ALA H H 34 8.308 8.308 8.595 -0.287 19221 14310 1 15 . 1 1 35 35 TYR N N 35 120.860 120.860 119.965 0.895 19221 14311 1 15 . 1 1 35 35 TYR HA H 35 3.758 3.758 4.147 -0.389 19221 14312 1 15 . 1 1 35 35 TYR C C 35 176.384 176.384 177.145 -0.761 19221 14313 1 15 . 1 1 35 35 TYR CA C 35 62.020 62.020 60.891 1.129 19221 14314 1 15 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.425 0.035 19221 14315 1 15 . 1 1 35 35 TYR H H 35 8.457 8.457 8.344 0.113 19221 14316 1 15 . 1 1 36 36 ASP N N 36 120.570 120.570 119.872 0.698 19221 14317 1 15 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.076 0.159 19221 14318 1 15 . 1 1 36 36 ASP C C 36 180.544 180.544 178.692 1.852 19221 14319 1 15 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.605 0.335 19221 14320 1 15 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.792 -0.322 19221 14321 1 15 . 1 1 36 36 ASP H H 36 9.072 9.072 8.467 0.605 19221 14322 1 15 . 1 1 37 37 LEU N N 37 123.000 123.000 120.580 2.420 19221 14323 1 15 . 1 1 37 37 LEU HA H 37 4.146 4.146 3.984 0.162 19221 14324 1 15 . 1 1 37 37 LEU C C 37 178.743 178.743 178.994 -0.251 19221 14325 1 15 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.561 0.053 19221 14326 1 15 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.963 0.847 19221 14327 1 15 . 1 1 37 37 LEU H H 37 9.068 9.068 8.546 0.522 19221 14328 1 15 . 1 1 38 38 SER N N 38 116.650 116.650 115.032 1.618 19221 14329 1 15 . 1 1 38 38 SER HA H 38 3.680 3.680 4.174 -0.494 19221 14330 1 15 . 1 1 38 38 SER C C 38 174.113 174.113 176.446 -2.333 19221 14331 1 15 . 1 1 38 38 SER CA C 38 59.430 59.430 62.333 -2.903 19221 14332 1 15 . 1 1 38 38 SER CB C 38 63.559 63.559 62.837 0.722 19221 14333 1 15 . 1 1 38 38 SER H H 38 7.824 7.824 8.131 -0.307 19221 14334 1 15 . 1 1 39 39 ILE N N 39 121.198 121.198 121.892 -0.694 19221 14335 1 15 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.538 -0.133 19221 14336 1 15 . 1 1 39 39 ILE C C 39 176.113 176.113 177.781 -1.668 19221 14337 1 15 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.824 -1.464 19221 14338 1 15 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.709 -1.361 19221 14339 1 15 . 1 1 39 39 ILE H H 39 8.313 8.313 8.122 0.191 19221 14340 1 15 . 1 1 40 40 SER N N 40 115.537 115.537 115.578 -0.041 19221 14341 1 15 . 1 1 40 40 SER HA H 40 4.534 4.534 3.961 0.573 19221 14342 1 15 . 1 1 40 40 SER C C 40 174.881 174.881 175.969 -1.088 19221 14343 1 15 . 1 1 40 40 SER CA C 40 62.520 62.520 62.149 0.371 19221 14344 1 15 . 1 1 40 40 SER CB C 40 62.670 62.670 62.905 -0.235 19221 14345 1 15 . 1 1 40 40 SER H H 40 7.961 7.961 8.317 -0.356 19221 14346 1 15 . 1 1 41 41 ALA N N 41 123.360 123.360 123.537 -0.177 19221 14347 1 15 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.937 -0.345 19221 14348 1 15 . 1 1 41 41 ALA C C 41 178.822 178.822 178.737 0.085 19221 14349 1 15 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.371 -0.249 19221 14350 1 15 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.862 -0.472 19221 14351 1 15 . 1 1 41 41 ALA H H 41 7.878 7.878 7.939 -0.061 19221 14352 1 15 . 1 1 42 42 LEU N N 42 115.790 115.790 117.982 -2.192 19221 14353 1 15 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.019 -0.443 19221 14354 1 15 . 1 1 42 42 LEU C C 42 179.683 179.683 177.635 2.048 19221 14355 1 15 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.553 1.179 19221 14356 1 15 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.711 -0.501 19221 14357 1 15 . 1 1 42 42 LEU H H 42 7.737 7.737 8.027 -0.290 19221 14358 1 15 . 1 1 43 43 LEU N N 43 113.670 113.670 109.714 3.956 19221 14359 1 15 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.796 -0.789 19221 14360 1 15 . 1 1 43 43 LEU C C 43 177.279 177.279 177.061 0.218 19221 14361 1 15 . 1 1 43 43 LEU CA C 43 54.930 54.930 53.454 1.476 19221 14362 1 15 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.434 -0.614 19221 14363 1 15 . 1 1 43 43 LEU H H 43 7.798 7.798 7.526 0.272 19221 14364 1 15 . 1 1 44 44 GLY N N 44 108.270 108.270 108.882 -0.612 19221 14365 1 15 . 1 1 44 44 GLY C C 44 177.020 177.020 174.967 2.053 19221 14366 1 15 . 1 1 44 44 GLY CA C 44 46.890 46.890 45.146 1.744 19221 14367 1 15 . 1 1 44 44 GLY H H 44 7.984 7.984 7.689 0.295 19221 14368 1 15 . 1 1 45 45 ASP N N 45 128.400 128.400 127.523 0.877 19221 14369 1 15 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.630 -0.071 19221 14370 1 15 . 1 1 45 45 ASP C C 45 177.183 177.183 177.241 -0.058 19221 14371 1 15 . 1 1 45 45 ASP CA C 45 55.450 55.450 57.006 -1.556 19221 14372 1 15 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.035 -1.245 19221 14373 1 15 . 1 1 45 45 ASP H H 45 9.073 9.073 9.615 -0.542 19221 14374 1 15 . 1 1 46 46 LYS N N 46 117.230 117.230 116.278 0.952 19221 14375 1 15 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.425 0.520 19221 14376 1 15 . 1 1 46 46 LYS C C 46 176.544 176.544 176.845 -0.301 19221 14377 1 15 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.617 -0.007 19221 14378 1 15 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.894 1.066 19221 14379 1 15 . 1 1 46 46 LYS H H 46 8.987 8.987 7.823 1.164 19221 14380 1 15 . 1 1 47 47 ILE N N 47 121.540 121.540 120.309 1.231 19221 14381 1 15 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.946 0.151 19221 14382 1 15 . 1 1 47 47 ILE C C 47 174.082 174.082 176.355 -2.273 19221 14383 1 15 . 1 1 47 47 ILE CA C 47 61.080 61.080 60.628 0.452 19221 14384 1 15 . 1 1 47 47 ILE CB C 47 37.008 37.008 37.374 -0.366 19221 14385 1 15 . 1 1 47 47 ILE H H 47 6.840 6.840 7.479 -0.639 19221 14386 1 15 . 1 1 48 48 TYR N N 48 123.820 123.820 127.034 -3.214 19221 14387 1 15 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.417 -0.108 19221 14388 1 15 . 1 1 48 48 TYR C C 48 173.249 173.249 173.524 -0.275 19221 14389 1 15 . 1 1 48 48 TYR CA C 48 57.350 57.350 58.048 -0.698 19221 14390 1 15 . 1 1 48 48 TYR CB C 48 39.230 39.230 41.001 -1.771 19221 14391 1 15 . 1 1 48 48 TYR H H 48 8.511 8.511 8.369 0.142 19221 14392 1 15 . 1 1 49 49 ASN N N 49 116.100 116.100 114.369 1.731 19221 14393 1 15 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.449 0.002 19221 14394 1 15 . 1 1 49 49 ASN C C 49 175.429 175.429 175.443 -0.014 19221 14395 1 15 . 1 1 49 49 ASN CA C 49 53.077 53.077 50.942 2.135 19221 14396 1 15 . 1 1 49 49 ASN CB C 49 39.916 39.916 40.123 -0.207 19221 14397 1 15 . 1 1 49 49 ASN H H 49 6.906 6.906 7.040 -0.134 19221 14398 1 15 . 1 1 50 50 PHE N N 50 124.360 124.360 121.883 2.477 19221 14399 1 15 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.284 0.727 19221 14400 1 15 . 1 1 50 50 PHE C C 50 176.190 176.190 176.961 -0.771 19221 14401 1 15 . 1 1 50 50 PHE CA C 50 55.863 55.863 59.782 -3.919 19221 14402 1 15 . 1 1 50 50 PHE CB C 50 38.482 38.482 38.870 -0.388 19221 14403 1 15 . 1 1 50 50 PHE H H 50 8.980 8.980 8.796 0.184 19221 14404 1 15 . 1 1 51 51 GLY N N 51 109.740 109.740 107.546 2.194 19221 14405 1 15 . 1 1 51 51 GLY C C 51 175.758 175.758 174.645 1.113 19221 14406 1 15 . 1 1 51 51 GLY CA C 51 48.300 48.300 46.209 2.091 19221 14407 1 15 . 1 1 51 51 GLY H H 51 8.658 8.658 7.418 1.240 19221 14408 1 15 . 1 1 52 52 GLU N N 52 120.700 120.700 119.276 1.424 19221 14409 1 15 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.582 -0.500 19221 14410 1 15 . 1 1 52 52 GLU C C 52 178.240 178.240 177.416 0.824 19221 14411 1 15 . 1 1 52 52 GLU CA C 52 59.210 59.210 56.825 2.385 19221 14412 1 15 . 1 1 52 52 GLU CB C 52 29.739 29.739 30.649 -0.910 19221 14413 1 15 . 1 1 52 52 GLU H H 52 8.321 8.321 8.158 0.163 19221 14414 1 15 . 1 1 53 53 LEU N N 53 119.400 119.400 123.760 -4.360 19221 14415 1 15 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.129 0.029 19221 14416 1 15 . 1 1 53 53 LEU C C 53 178.344 178.344 177.753 0.591 19221 14417 1 15 . 1 1 53 53 LEU CA C 53 57.790 57.790 58.706 -0.916 19221 14418 1 15 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.999 0.841 19221 14419 1 15 . 1 1 53 53 LEU H H 53 7.694 7.694 7.918 -0.224 19221 14420 1 15 . 1 1 54 54 LEU N N 54 114.230 114.230 117.049 -2.819 19221 14421 1 15 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.066 -0.143 19221 14422 1 15 . 1 1 54 54 LEU C C 54 178.643 178.643 176.975 1.668 19221 14423 1 15 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.614 1.116 19221 14424 1 15 . 1 1 54 54 LEU CB C 54 41.850 41.850 40.796 1.054 19221 14425 1 15 . 1 1 54 54 LEU H H 54 8.369 8.369 8.270 0.099 19221 14426 1 15 . 1 1 55 55 HIS N N 55 113.420 113.420 114.673 -1.253 19221 14427 1 15 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.810 -0.103 19221 14428 1 15 . 1 1 55 55 HIS C C 55 173.981 173.981 174.394 -0.413 19221 14429 1 15 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.482 0.038 19221 14430 1 15 . 1 1 55 55 HIS CB C 55 29.280 29.280 30.455 -1.175 19221 14431 1 15 . 1 1 55 55 HIS H H 55 7.569 7.569 7.937 -0.368 19221 14432 1 15 . 1 1 56 56 HIS N N 56 126.050 126.050 122.625 3.425 19221 14433 1 15 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.791 -0.310 19221 14434 1 15 . 1 1 56 56 HIS C C 56 176.705 176.705 174.664 2.041 19221 14435 1 15 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.521 2.829 19221 14436 1 15 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.885 -0.165 19221 14437 1 15 . 1 1 56 56 HIS H H 56 8.068 8.068 8.219 -0.151 19221 14438 1 15 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.222 0.155 19221 14439 1 15 . 1 1 57 57 PRO C C 57 179.790 179.790 178.521 1.269 19221 14440 1 15 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.741 0.699 19221 14441 1 15 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.761 0.669 19221 14442 1 15 . 1 1 58 58 ILE N N 58 124.900 124.900 121.200 3.700 19221 14443 1 15 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.721 0.549 19221 14444 1 15 . 1 1 58 58 ILE C C 58 177.782 177.782 177.054 0.728 19221 14445 1 15 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.926 -1.396 19221 14446 1 15 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.626 0.645 19221 14447 1 15 . 1 1 58 58 ILE H H 58 11.871 11.871 7.406 4.465 19221 14448 1 15 . 1 1 59 59 MET N N 59 120.230 120.230 116.498 3.732 19221 14449 1 15 . 1 1 59 59 MET HA H 59 4.431 4.431 4.117 0.314 19221 14450 1 15 . 1 1 59 59 MET C C 59 178.757 178.757 178.399 0.358 19221 14451 1 15 . 1 1 59 59 MET CA C 59 55.720 55.720 56.554 -0.834 19221 14452 1 15 . 1 1 59 59 MET CB C 59 30.980 30.980 30.847 0.133 19221 14453 1 15 . 1 1 59 59 MET H H 59 8.152 8.152 8.055 0.097 19221 14454 1 15 . 1 1 60 60 GLU N N 60 119.080 119.080 119.164 -0.084 19221 14455 1 15 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.960 0.048 19221 14456 1 15 . 1 1 60 60 GLU C C 60 178.242 178.242 178.645 -0.403 19221 14457 1 15 . 1 1 60 60 GLU CA C 60 58.520 58.520 58.940 -0.420 19221 14458 1 15 . 1 1 60 60 GLU CB C 60 29.547 29.547 29.259 0.288 19221 14459 1 15 . 1 1 60 60 GLU H H 60 7.889 7.889 7.889 -0.000 19221 14460 1 15 . 1 1 61 61 THR N N 61 106.740 106.740 109.666 -2.926 19221 14461 1 15 . 1 1 61 61 THR HA H 61 4.120 4.120 4.111 0.009 19221 14462 1 15 . 1 1 61 61 THR C C 61 176.056 176.056 176.010 0.046 19221 14463 1 15 . 1 1 61 61 THR CA C 61 64.520 64.520 64.475 0.045 19221 14464 1 15 . 1 1 61 61 THR CB C 61 69.420 69.420 69.184 0.236 19221 14465 1 15 . 1 1 61 61 THR H H 61 7.558 7.558 7.586 -0.028 19221 14466 1 15 . 1 1 62 62 ILE N N 62 113.140 113.140 113.724 -0.584 19221 14467 1 15 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.411 0.176 19221 14468 1 15 . 1 1 62 62 ILE C C 62 176.843 176.843 176.779 0.064 19221 14469 1 15 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.116 0.674 19221 14470 1 15 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.147 1.223 19221 14471 1 15 . 1 1 62 62 ILE H H 62 7.235 7.235 7.526 -0.291 19221 14472 1 15 . 1 1 63 63 VAL N N 63 122.110 122.110 119.510 2.600 19221 14473 1 15 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.826 -0.480 19221 14474 1 15 . 1 1 63 63 VAL C C 63 175.165 175.165 176.632 -1.467 19221 14475 1 15 . 1 1 63 63 VAL CA C 63 64.440 64.440 65.514 -1.074 19221 14476 1 15 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.196 0.003 19221 14477 1 15 . 1 1 63 63 VAL H H 63 7.436 7.436 8.173 -0.737 19221 14478 1 15 . 1 1 64 64 ASN N N 64 116.810 116.810 115.265 1.545 19221 14479 1 15 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.490 0.291 19221 14480 1 15 . 1 1 64 64 ASN C C 64 174.101 174.101 175.070 -0.969 19221 14481 1 15 . 1 1 64 64 ASN CA C 64 52.900 52.900 53.822 -0.922 19221 14482 1 15 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.527 0.252 19221 14483 1 15 . 1 1 64 64 ASN H H 64 8.352 8.352 7.852 0.500 19221 14484 1 15 . 1 1 65 65 ASP N N 65 120.930 120.930 119.209 1.721 19221 14485 1 15 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.927 -0.047 19221 14486 1 15 . 1 1 65 65 ASP C C 65 177.534 177.534 176.630 0.904 19221 14487 1 15 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.484 0.686 19221 14488 1 15 . 1 1 65 65 ASP CB C 65 43.100 43.100 42.770 0.330 19221 14489 1 15 . 1 1 65 65 ASP H H 65 7.453 7.453 7.847 -0.394 19221 14490 1 15 . 1 1 66 66 SER HA H 66 4.356 4.356 4.078 0.278 19221 14491 1 15 . 1 1 66 66 SER C C 66 176.310 176.310 175.567 0.743 19221 14492 1 15 . 1 1 66 66 SER CA C 66 61.350 61.350 61.210 0.140 19221 14493 1 15 . 1 1 66 66 SER CB C 66 63.120 63.120 63.389 -0.269 19221 14494 1 15 . 1 1 66 66 SER H H 66 7.010 7.010 8.936 -1.926 19221 14495 1 15 . 1 1 67 67 ASN N N 67 120.050 120.050 118.670 1.380 19221 14496 1 15 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.653 -0.048 19221 14497 1 15 . 1 1 67 67 ASN C C 67 176.107 176.107 176.663 -0.556 19221 14498 1 15 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.318 0.252 19221 14499 1 15 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.878 -0.278 19221 14500 1 15 . 1 1 67 67 ASN H H 67 9.014 9.014 8.260 0.754 19221 14501 1 15 . 1 1 68 68 TYR N N 68 114.840 114.840 119.519 -4.679 19221 14502 1 15 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.431 0.088 19221 14503 1 15 . 1 1 68 68 TYR C C 68 175.709 175.709 176.078 -0.369 19221 14504 1 15 . 1 1 68 68 TYR CA C 68 57.610 57.610 59.181 -1.571 19221 14505 1 15 . 1 1 68 68 TYR CB C 68 39.750 39.750 40.353 -0.603 19221 14506 1 15 . 1 1 68 68 TYR H H 68 8.276 8.276 8.238 0.038 19221 14507 1 15 . 1 1 69 69 ASP N N 69 122.810 122.810 122.397 0.413 19221 14508 1 15 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.112 0.340 19221 14509 1 15 . 1 1 69 69 ASP C C 69 178.371 178.371 177.506 0.865 19221 14510 1 15 . 1 1 69 69 ASP CA C 69 58.630 58.630 57.719 0.911 19221 14511 1 15 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.531 0.099 19221 14512 1 15 . 1 1 69 69 ASP H H 69 7.806 7.806 8.577 -0.771 19221 14513 1 15 . 1 1 70 70 TRP N N 70 117.270 117.270 118.882 -1.612 19221 14514 1 15 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.262 -0.098 19221 14515 1 15 . 1 1 70 70 TRP C C 70 176.090 176.090 177.536 -1.446 19221 14516 1 15 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.153 -0.623 19221 14517 1 15 . 1 1 70 70 TRP CB C 70 27.550 27.550 27.943 -0.393 19221 14518 1 15 . 1 1 70 70 TRP H H 70 8.172 8.172 7.165 1.007 19221 14519 1 15 . 1 1 71 71 LEU N N 71 125.263 125.263 121.012 4.251 19221 14520 1 15 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.656 -0.416 19221 14521 1 15 . 1 1 71 71 LEU C C 71 178.306 178.306 178.110 0.196 19221 14522 1 15 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.150 0.460 19221 14523 1 15 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.767 0.423 19221 14524 1 15 . 1 1 71 71 LEU H H 71 6.251 6.251 6.980 -0.729 19221 14525 1 15 . 1 1 72 72 PHE N N 72 117.630 117.630 119.281 -1.651 19221 14526 1 15 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.979 -0.166 19221 14527 1 15 . 1 1 72 72 PHE C C 72 178.797 178.797 177.321 1.476 19221 14528 1 15 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.303 1.268 19221 14529 1 15 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.999 -0.189 19221 14530 1 15 . 1 1 72 72 PHE H H 72 6.996 6.996 7.007 -0.011 19221 14531 1 15 . 1 1 73 73 GLN N N 73 117.950 117.950 118.100 -0.150 19221 14532 1 15 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.846 0.220 19221 14533 1 15 . 1 1 73 73 GLN C C 73 179.341 179.341 178.217 1.124 19221 14534 1 15 . 1 1 73 73 GLN CA C 73 59.090 59.090 59.208 -0.118 19221 14535 1 15 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.706 -0.456 19221 14536 1 15 . 1 1 73 73 GLN H H 73 8.415 8.415 8.456 -0.041 19221 14537 1 15 . 1 1 74 74 LEU N N 74 122.275 122.275 122.395 -0.120 19221 14538 1 15 . 1 1 74 74 LEU HA H 74 4.070 4.070 3.966 0.104 19221 14539 1 15 . 1 1 74 74 LEU C C 74 177.889 177.889 178.218 -0.329 19221 14540 1 15 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.845 0.725 19221 14541 1 15 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.725 0.455 19221 14542 1 15 . 1 1 74 74 LEU H H 74 8.365 8.365 8.046 0.319 19221 14543 1 15 . 1 1 75 75 LEU N N 75 118.123 118.123 119.207 -1.084 19221 14544 1 15 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.672 0.055 19221 14545 1 15 . 1 1 75 75 LEU C C 75 180.172 180.172 178.953 1.219 19221 14546 1 15 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.407 0.046 19221 14547 1 15 . 1 1 75 75 LEU CB C 75 42.340 42.340 40.999 1.341 19221 14548 1 15 . 1 1 75 75 LEU H H 75 8.210 8.210 8.527 -0.317 19221 14549 1 15 . 1 1 76 76 ASN N N 76 117.960 117.960 117.745 0.215 19221 14550 1 15 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.086 0.289 19221 14551 1 15 . 1 1 76 76 ASN C C 76 176.582 176.582 177.044 -0.462 19221 14552 1 15 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.143 0.817 19221 14553 1 15 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.812 1.138 19221 14554 1 15 . 1 1 76 76 ASN H H 76 8.363 8.363 8.227 0.136 19221 14555 1 15 . 1 1 77 77 ALA N N 77 121.740 121.740 122.459 -0.719 19221 14556 1 15 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.006 0.161 19221 14557 1 15 . 1 1 77 77 ALA C C 77 179.988 179.988 179.824 0.164 19221 14558 1 15 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.997 0.563 19221 14559 1 15 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.255 -0.925 19221 14560 1 15 . 1 1 77 77 ALA H H 77 8.385 8.385 8.112 0.273 19221 14561 1 15 . 1 1 78 78 LEU N N 78 116.550 116.550 117.786 -1.236 19221 14562 1 15 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.674 -0.021 19221 14563 1 15 . 1 1 78 78 LEU C C 78 177.576 177.576 179.011 -1.435 19221 14564 1 15 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.696 1.288 19221 14565 1 15 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.989 0.021 19221 14566 1 15 . 1 1 78 78 LEU H H 78 7.965 7.965 8.378 -0.413 19221 14567 1 15 . 1 1 79 79 THR N N 79 113.220 113.220 113.433 -0.213 19221 14568 1 15 . 1 1 79 79 THR HA H 79 3.807 3.807 4.087 -0.280 19221 14569 1 15 . 1 1 79 79 THR C C 79 176.163 176.163 176.150 0.013 19221 14570 1 15 . 1 1 79 79 THR CA C 79 66.980 66.980 65.794 1.185 19221 14571 1 15 . 1 1 79 79 THR CB C 79 69.240 69.240 69.126 0.113 19221 14572 1 15 . 1 1 79 79 THR H H 79 7.565 7.565 7.911 -0.346 19221 14573 1 15 . 1 1 80 80 VAL N N 80 110.800 110.800 114.084 -3.284 19221 14574 1 15 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.125 0.384 19221 14575 1 15 . 1 1 80 80 VAL C C 80 176.751 176.751 176.783 -0.032 19221 14576 1 15 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.181 -1.291 19221 14577 1 15 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.477 0.528 19221 14578 1 15 . 1 1 80 80 VAL H H 80 7.792 7.792 7.750 0.042 19221 14579 1 15 . 1 1 81 81 GLY N N 81 112.910 112.910 109.622 3.288 19221 14580 1 15 . 1 1 81 81 GLY C C 81 173.874 173.874 174.205 -0.331 19221 14581 1 15 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.734 1.546 19221 14582 1 15 . 1 1 81 81 GLY H H 81 7.506 7.506 7.406 0.100 19221 14583 1 15 . 1 1 82 82 ASP N N 82 119.112 119.112 120.072 -0.960 19221 14584 1 15 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.867 -0.027 19221 14585 1 15 . 1 1 82 82 ASP C C 82 175.706 175.706 175.890 -0.184 19221 14586 1 15 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.999 -0.079 19221 14587 1 15 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.799 0.151 19221 14588 1 15 . 1 1 82 82 ASP H H 82 8.254 8.254 7.931 0.323 19221 14589 1 15 . 1 1 83 83 PHE N N 83 123.870 123.870 124.411 -0.541 19221 14590 1 15 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.056 -0.228 19221 14591 1 15 . 1 1 83 83 PHE C C 83 177.950 177.950 177.477 0.473 19221 14592 1 15 . 1 1 83 83 PHE CA C 83 62.570 62.570 62.157 0.413 19221 14593 1 15 . 1 1 83 83 PHE CB C 83 39.120 39.120 39.076 0.044 19221 14594 1 15 . 1 1 83 83 PHE H H 83 8.025 8.025 8.175 -0.150 19221 14595 1 15 . 1 1 84 84 ASP N N 84 119.583 119.583 119.419 0.164 19221 14596 1 15 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.467 0.055 19221 14597 1 15 . 1 1 84 84 ASP C C 84 179.005 179.005 178.641 0.364 19221 14598 1 15 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.637 0.023 19221 14599 1 15 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.916 -0.356 19221 14600 1 15 . 1 1 84 84 ASP H H 84 8.464 8.464 8.179 0.285 19221 14601 1 15 . 1 1 85 85 LYS N N 85 122.200 122.200 119.535 2.665 19221 14602 1 15 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.085 0.007 19221 14603 1 15 . 1 1 85 85 LYS C C 85 178.580 178.580 178.980 -0.400 19221 14604 1 15 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.660 -0.410 19221 14605 1 15 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.204 0.106 19221 14606 1 15 . 1 1 85 85 LYS H H 85 8.009 8.009 8.463 -0.454 19221 14607 1 15 . 1 1 86 86 PHE N N 86 118.590 118.590 121.057 -2.467 19221 14608 1 15 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.060 -0.224 19221 14609 1 15 . 1 1 86 86 PHE C C 86 175.649 175.649 176.701 -1.052 19221 14610 1 15 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.384 1.026 19221 14611 1 15 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.838 1.242 19221 14612 1 15 . 1 1 86 86 PHE H H 86 8.331 8.331 8.719 -0.388 19221 14613 1 15 . 1 1 87 87 ASP N N 87 117.790 117.790 119.531 -1.741 19221 14614 1 15 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.079 0.119 19221 14615 1 15 . 1 1 87 87 ASP C C 87 178.542 178.542 178.594 -0.052 19221 14616 1 15 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.765 0.075 19221 14617 1 15 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.621 1.269 19221 14618 1 15 . 1 1 87 87 ASP H H 87 8.560 8.560 8.666 -0.106 19221 14619 1 15 . 1 1 88 88 SER N N 88 112.940 112.940 115.031 -2.091 19221 14620 1 15 . 1 1 88 88 SER HA H 88 4.153 4.153 4.162 -0.009 19221 14621 1 15 . 1 1 88 88 SER C C 88 176.823 176.823 175.836 0.987 19221 14622 1 15 . 1 1 88 88 SER CA C 88 61.590 61.590 61.256 0.334 19221 14623 1 15 . 1 1 88 88 SER CB C 88 63.085 63.085 63.253 -0.168 19221 14624 1 15 . 1 1 88 88 SER H H 88 7.757 7.757 7.804 -0.047 19221 14625 1 15 . 1 1 89 89 LEU N N 89 121.710 121.710 120.316 1.394 19221 14626 1 15 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.094 0.074 19221 14627 1 15 . 1 1 89 89 LEU C C 89 180.006 180.006 178.132 1.874 19221 14628 1 15 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.561 0.269 19221 14629 1 15 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.151 1.229 19221 14630 1 15 . 1 1 89 89 LEU H H 89 8.173 8.173 7.272 0.901 19221 14631 1 15 . 1 1 90 90 ILE N N 90 119.830 119.830 120.547 -0.717 19221 14632 1 15 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.435 0.110 19221 14633 1 15 . 1 1 90 90 ILE C C 90 177.083 177.083 178.506 -1.423 19221 14634 1 15 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.366 -1.456 19221 14635 1 15 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.466 -0.386 19221 14636 1 15 . 1 1 90 90 ILE H H 90 8.424 8.424 8.358 0.066 19221 14637 1 15 . 1 1 91 91 LYS N N 91 117.980 117.980 117.664 0.316 19221 14638 1 15 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.962 -0.061 19221 14639 1 15 . 1 1 91 91 LYS C C 91 178.803 178.803 177.978 0.825 19221 14640 1 15 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.142 0.368 19221 14641 1 15 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.342 0.418 19221 14642 1 15 . 1 1 91 91 LYS H H 91 7.569 7.569 8.157 -0.588 19221 14643 1 15 . 1 1 92 92 VAL N N 92 115.450 115.450 118.337 -2.887 19221 14644 1 15 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.945 -0.017 19221 14645 1 15 . 1 1 92 92 VAL C C 92 177.767 177.767 177.482 0.285 19221 14646 1 15 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.270 -0.720 19221 14647 1 15 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.944 -0.154 19221 14648 1 15 . 1 1 92 92 VAL H H 92 7.432 7.432 7.582 -0.150 19221 14649 1 15 . 1 1 93 93 GLN N N 93 117.250 117.250 119.338 -2.088 19221 14650 1 15 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.974 0.023 19221 14651 1 15 . 1 1 93 93 GLN C C 93 178.756 178.756 178.818 -0.062 19221 14652 1 15 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.812 -0.252 19221 14653 1 15 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.395 0.275 19221 14654 1 15 . 1 1 93 93 GLN H H 93 8.127 8.127 8.527 -0.400 19221 14655 1 15 . 1 1 94 94 ILE N N 94 118.013 118.013 119.943 -1.930 19221 14656 1 15 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.744 -0.104 19221 14657 1 15 . 1 1 94 94 ILE C C 94 176.252 176.252 178.659 -2.407 19221 14658 1 15 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.764 1.216 19221 14659 1 15 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.865 0.265 19221 14660 1 15 . 1 1 94 94 ILE H H 94 8.390 8.390 7.397 0.993 19221 14661 1 15 . 1 1 95 95 SER N N 95 112.220 112.220 116.207 -3.987 19221 14662 1 15 . 1 1 95 95 SER HA H 95 4.158 4.158 4.135 0.023 19221 14663 1 15 . 1 1 95 95 SER C C 95 174.893 174.893 175.813 -0.920 19221 14664 1 15 . 1 1 95 95 SER CA C 95 59.890 59.890 61.003 -1.113 19221 14665 1 15 . 1 1 95 95 SER CB C 95 63.170 63.170 62.890 0.280 19221 14666 1 15 . 1 1 95 95 SER H H 95 7.227 7.227 8.268 -1.041 19221 14667 1 15 . 1 1 96 96 LYS N N 96 119.000 119.000 118.751 0.249 19221 14668 1 15 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.101 0.224 19221 14669 1 15 . 1 1 96 96 LYS C C 96 175.903 175.903 176.205 -0.302 19221 14670 1 15 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.543 -0.943 19221 14671 1 15 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.020 0.920 19221 14672 1 15 . 1 1 96 96 LYS H H 96 7.250 7.250 7.627 -0.377 19221 14673 1 15 . 1 1 97 97 ILE N N 97 120.530 120.530 120.047 0.483 19221 14674 1 15 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.549 0.050 19221 14675 1 15 . 1 1 97 97 ILE C C 97 173.784 173.784 174.118 -0.334 19221 14676 1 15 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.808 -0.396 19221 14677 1 15 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.027 -2.467 19221 14678 1 15 . 1 1 97 97 ILE H H 97 7.713 7.713 7.427 0.286 19221 14679 1 15 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.275 0.018 19221 14680 1 15 . 1 1 98 98 PRO C C 98 178.885 178.885 178.179 0.706 19221 14681 1 15 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.749 0.571 19221 14682 1 15 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.086 0.184 19221 14683 1 15 . 1 1 99 99 ILE N N 99 115.600 115.600 118.934 -3.334 19221 14684 1 15 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.938 0.354 19221 14685 1 15 . 1 1 99 99 ILE C C 99 177.025 177.025 177.474 -0.449 19221 14686 1 15 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.549 -0.769 19221 14687 1 15 . 1 1 99 99 ILE CB C 99 38.080 38.080 38.011 0.069 19221 14688 1 15 . 1 1 99 99 ILE H H 99 8.552 8.552 7.760 0.792 19221 14689 1 15 . 1 1 100 100 LEU N N 100 119.430 119.430 120.684 -1.254 19221 14690 1 15 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.109 0.114 19221 14691 1 15 . 1 1 100 100 LEU C C 100 178.223 178.223 179.236 -1.013 19221 14692 1 15 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.915 -0.805 19221 14693 1 15 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.324 0.896 19221 14694 1 15 . 1 1 100 100 LEU H H 100 7.404 7.404 7.630 -0.226 19221 14695 1 15 . 1 1 101 101 ALA N N 101 121.390 121.390 121.029 0.361 19221 14696 1 15 . 1 1 101 101 ALA HA H 101 3.917 3.917 4.006 -0.089 19221 14697 1 15 . 1 1 101 101 ALA C C 101 181.827 181.827 180.104 1.723 19221 14698 1 15 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.835 0.575 19221 14699 1 15 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.305 -0.355 19221 14700 1 15 . 1 1 101 101 ALA H H 101 7.839 7.839 8.207 -0.368 19221 14701 1 15 . 1 1 102 102 GLN N N 102 115.470 115.470 116.433 -0.963 19221 14702 1 15 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.048 0.029 19221 14703 1 15 . 1 1 102 102 GLN C C 102 176.572 176.572 176.887 -0.315 19221 14704 1 15 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.961 -0.381 19221 14705 1 15 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.075 -0.445 19221 14706 1 15 . 1 1 102 102 GLN H H 102 8.276 8.276 7.768 0.508 19221 14707 1 15 . 1 1 103 103 HIS N N 103 115.980 115.980 114.941 1.039 19221 14708 1 15 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.972 0.152 19221 14709 1 15 . 1 1 103 103 HIS C C 103 175.326 175.326 174.881 0.445 19221 14710 1 15 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.935 1.415 19221 14711 1 15 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.465 1.525 19221 14712 1 15 . 1 1 103 103 HIS H H 103 7.450 7.450 7.664 -0.214 19221 14713 1 15 . 1 1 104 104 GLU N N 104 122.920 122.920 121.985 0.935 19221 14714 1 15 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.958 -0.145 19221 14715 1 15 . 1 1 104 104 GLU C C 104 177.960 177.960 178.089 -0.129 19221 14716 1 15 . 1 1 104 104 GLU CA C 104 61.510 61.510 61.087 0.423 19221 14717 1 15 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.650 -0.150 19221 14718 1 15 . 1 1 104 104 GLU H H 104 7.332 7.332 7.591 -0.259 19221 14719 1 15 . 1 1 105 105 SER N N 105 113.180 113.180 115.034 -1.854 19221 14720 1 15 . 1 1 105 105 SER HA H 105 4.234 4.234 4.285 -0.051 19221 14721 1 15 . 1 1 105 105 SER C C 105 177.512 177.512 176.497 1.015 19221 14722 1 15 . 1 1 105 105 SER CA C 105 62.100 62.100 61.079 1.021 19221 14723 1 15 . 1 1 105 105 SER CB C 105 62.100 62.100 62.633 -0.533 19221 14724 1 15 . 1 1 105 105 SER H H 105 8.931 8.931 8.590 0.341 19221 14725 1 15 . 1 1 106 106 PHE N N 106 123.770 123.770 122.239 1.531 19221 14726 1 15 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.543 -0.116 19221 14727 1 15 . 1 1 106 106 PHE C C 106 178.007 178.007 176.706 1.301 19221 14728 1 15 . 1 1 106 106 PHE CA C 106 61.390 61.390 59.965 1.425 19221 14729 1 15 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.114 0.016 19221 14730 1 15 . 1 1 106 106 PHE H H 106 8.040 8.040 8.120 -0.080 19221 14731 1 15 . 1 1 107 107 LEU N N 107 121.397 121.397 121.596 -0.199 19221 14732 1 15 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.833 0.173 19221 14733 1 15 . 1 1 107 107 LEU C C 107 178.165 178.165 178.994 -0.829 19221 14734 1 15 . 1 1 107 107 LEU CA C 107 58.280 58.280 57.994 0.286 19221 14735 1 15 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.389 0.780 19221 14736 1 15 . 1 1 107 107 LEU H H 107 8.481 8.481 8.742 -0.261 19221 14737 1 15 . 1 1 108 108 ARG N N 108 117.450 117.450 119.887 -2.437 19221 14738 1 15 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.012 0.127 19221 14739 1 15 . 1 1 108 108 ARG C C 108 178.343 178.343 178.390 -0.047 19221 14740 1 15 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.164 -0.584 19221 14741 1 15 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.088 -0.918 19221 14742 1 15 . 1 1 108 108 ARG H H 108 8.480 8.480 8.330 0.150 19221 14743 1 15 . 1 1 109 109 GLN N N 109 119.098 119.098 118.499 0.599 19221 14744 1 15 . 1 1 109 109 GLN HA H 109 4.075 4.075 3.977 0.098 19221 14745 1 15 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.170 0.125 19221 14746 1 15 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.546 0.962 19221 14747 1 15 . 1 1 109 109 GLN H H 109 7.886 7.886 8.276 -0.390 19221 14748 1 15 . 1 1 110 110 LYS N N 110 121.110 121.110 121.006 0.104 19221 14749 1 15 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.873 0.115 19221 14750 1 15 . 1 1 110 110 LYS C C 110 178.368 178.368 178.627 -0.259 19221 14751 1 15 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.699 2.851 19221 14752 1 15 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.631 -1.371 19221 14753 1 15 . 1 1 110 110 LYS H H 110 8.356 8.356 7.886 0.470 19221 14754 1 15 . 1 1 111 111 ILE N N 111 116.870 116.870 119.995 -3.125 19221 14755 1 15 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.638 0.260 19221 14756 1 15 . 1 1 111 111 ILE C C 111 178.036 178.036 177.029 1.007 19221 14757 1 15 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.064 1.037 19221 14758 1 15 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.249 -0.334 19221 14759 1 15 . 1 1 111 111 ILE H H 111 7.848 7.848 7.961 -0.113 19221 14760 1 15 . 1 1 112 112 CYS N N 112 123.990 123.990 118.637 5.353 19221 14761 1 15 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.305 -0.224 19221 14762 1 15 . 1 1 112 112 CYS C C 112 176.276 176.276 176.779 -0.503 19221 14763 1 15 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.994 1.406 19221 14764 1 15 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.569 -0.199 19221 14765 1 15 . 1 1 112 112 CYS H H 112 7.473 7.473 7.279 0.194 19221 14766 1 15 . 1 1 113 113 LEU N N 113 120.218 120.218 121.431 -1.213 19221 14767 1 15 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.756 0.087 19221 14768 1 15 . 1 1 113 113 LEU C C 113 178.584 178.584 178.947 -0.363 19221 14769 1 15 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.656 -0.136 19221 14770 1 15 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.703 0.847 19221 14771 1 15 . 1 1 113 113 LEU H H 113 8.443 8.443 8.676 -0.233 19221 14772 1 15 . 1 1 114 114 MET N N 114 116.910 116.910 117.764 -0.854 19221 14773 1 15 . 1 1 114 114 MET HA H 114 3.952 3.952 4.211 -0.259 19221 14774 1 15 . 1 1 114 114 MET C C 114 178.724 178.724 178.100 0.624 19221 14775 1 15 . 1 1 114 114 MET CA C 114 60.070 60.070 59.546 0.524 19221 14776 1 15 . 1 1 114 114 MET CB C 114 32.910 32.910 32.599 0.311 19221 14777 1 15 . 1 1 114 114 MET H H 114 8.840 8.840 8.507 0.333 19221 14778 1 15 . 1 1 115 115 THR N N 115 115.670 115.670 116.944 -1.274 19221 14779 1 15 . 1 1 115 115 THR HA H 115 4.083 4.083 4.061 0.022 19221 14780 1 15 . 1 1 115 115 THR C C 115 177.434 177.434 176.724 0.710 19221 14781 1 15 . 1 1 115 115 THR CA C 115 66.740 66.740 67.117 -0.377 19221 14782 1 15 . 1 1 115 115 THR CB C 115 68.630 68.630 68.676 -0.046 19221 14783 1 15 . 1 1 115 115 THR H H 115 8.095 8.095 8.084 0.011 19221 14784 1 15 . 1 1 116 116 LEU N N 116 125.420 125.420 123.679 1.741 19221 14785 1 15 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.097 -0.242 19221 14786 1 15 . 1 1 116 116 LEU C C 116 176.903 176.903 178.292 -1.389 19221 14787 1 15 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.165 0.771 19221 14788 1 15 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.669 0.007 19221 14789 1 15 . 1 1 116 116 LEU H H 116 8.164 8.164 7.964 0.200 19221 14790 1 15 . 1 1 117 117 ILE N N 117 114.740 114.740 119.023 -4.283 19221 14791 1 15 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.453 0.166 19221 14792 1 15 . 1 1 117 117 ILE C C 117 177.806 177.806 177.893 -0.087 19221 14793 1 15 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.855 -1.265 19221 14794 1 15 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.351 -0.991 19221 14795 1 15 . 1 1 117 117 ILE H H 117 8.032 8.032 8.238 -0.206 19221 14796 1 15 . 1 1 118 118 GLU N N 118 121.200 121.200 120.715 0.485 19221 14797 1 15 . 1 1 118 118 GLU HA H 118 4.200 4.200 3.906 0.294 19221 14798 1 15 . 1 1 118 118 GLU C C 118 178.314 178.314 178.932 -0.618 19221 14799 1 15 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.183 -0.203 19221 14800 1 15 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.688 -0.308 19221 14801 1 15 . 1 1 118 118 GLU H H 118 8.176 8.176 8.690 -0.514 19221 14802 1 15 . 1 1 119 119 THR N N 119 114.460 114.460 116.835 -2.375 19221 14803 1 15 . 1 1 119 119 THR HA H 119 3.917 3.917 4.013 -0.096 19221 14804 1 15 . 1 1 119 119 THR C C 119 175.551 175.551 177.070 -1.519 19221 14805 1 15 . 1 1 119 119 THR CA C 119 67.470 67.470 67.037 0.433 19221 14806 1 15 . 1 1 119 119 THR CB C 119 69.110 69.110 68.641 0.469 19221 14807 1 15 . 1 1 119 119 THR H H 119 8.008 8.008 8.217 -0.209 19221 14808 1 15 . 1 1 120 120 VAL N N 120 118.050 118.050 121.371 -3.321 19221 14809 1 15 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.707 -0.087 19221 14810 1 15 . 1 1 120 120 VAL C C 120 178.213 178.213 177.900 0.313 19221 14811 1 15 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.687 -0.667 19221 14812 1 15 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.405 0.425 19221 14813 1 15 . 1 1 120 120 VAL H H 120 7.800 7.800 8.359 -0.559 19221 14814 1 15 . 1 1 121 121 PHE N N 121 118.360 118.360 121.102 -2.742 19221 14815 1 15 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.114 0.106 19221 14816 1 15 . 1 1 121 121 PHE C C 121 178.739 178.739 177.814 0.925 19221 14817 1 15 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.789 -0.249 19221 14818 1 15 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.316 0.814 19221 14819 1 15 . 1 1 121 121 PHE H H 121 8.370 8.370 8.358 0.012 19221 14820 1 15 . 1 1 122 122 VAL N N 122 118.710 118.710 117.301 1.409 19221 14821 1 15 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.815 -0.190 19221 14822 1 15 . 1 1 122 122 VAL C C 122 178.247 178.247 177.364 0.883 19221 14823 1 15 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.754 0.096 19221 14824 1 15 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.147 0.734 19221 14825 1 15 . 1 1 122 122 VAL H H 122 8.959 8.959 8.825 0.134 19221 14826 1 15 . 1 1 123 123 LYS N N 123 115.960 115.960 117.967 -2.007 19221 14827 1 15 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.270 0.046 19221 14828 1 15 . 1 1 123 123 LYS C C 123 176.148 176.148 175.784 0.364 19221 14829 1 15 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.949 0.581 19221 14830 1 15 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.030 -0.000 19221 14831 1 15 . 1 1 123 123 LYS H H 123 7.688 7.688 7.928 -0.240 19221 14832 1 15 . 1 1 124 124 ASN N N 124 117.440 117.440 116.943 0.497 19221 14833 1 15 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.264 0.080 19221 14834 1 15 . 1 1 124 124 ASN C C 124 174.205 174.205 174.798 -0.593 19221 14835 1 15 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.780 0.140 19221 14836 1 15 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.258 -0.188 19221 14837 1 15 . 1 1 124 124 ASN H H 124 7.560 7.560 7.631 -0.071 19221 14838 1 15 . 1 1 125 125 ILE N N 125 116.780 116.780 117.660 -0.880 19221 14839 1 15 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.009 0.101 19221 14840 1 15 . 1 1 125 125 ILE C C 125 175.909 175.909 175.620 0.289 19221 14841 1 15 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.259 -0.689 19221 14842 1 15 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.400 1.570 19221 14843 1 15 . 1 1 125 125 ILE H H 125 7.658 7.658 8.040 -0.382 19221 14844 1 15 . 1 1 126 126 ARG N N 126 122.400 122.400 121.468 0.932 19221 14845 1 15 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.525 0.106 19221 14846 1 15 . 1 1 126 126 ARG C C 126 175.296 175.296 175.760 -0.464 19221 14847 1 15 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.774 -0.564 19221 14848 1 15 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.704 -0.487 19221 14849 1 15 . 1 1 126 126 ARG H H 126 8.658 8.658 8.445 0.213 19221 14850 1 15 . 1 1 127 127 MET N N 127 119.870 119.870 119.081 0.789 19221 14851 1 15 . 1 1 127 127 MET HA H 127 5.412 5.412 5.270 0.142 19221 14852 1 15 . 1 1 127 127 MET C C 127 174.169 174.169 173.962 0.207 19221 14853 1 15 . 1 1 127 127 MET CA C 127 55.130 55.130 54.499 0.631 19221 14854 1 15 . 1 1 127 127 MET CB C 127 35.300 35.300 35.690 -0.390 19221 14855 1 15 . 1 1 127 127 MET H H 127 7.487 7.487 7.674 -0.187 19221 14856 1 15 . 1 1 128 128 LEU N N 128 124.940 124.940 124.279 0.661 19221 14857 1 15 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.971 -0.081 19221 14858 1 15 . 1 1 128 128 LEU C C 128 174.857 174.857 174.498 0.359 19221 14859 1 15 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.801 0.369 19221 14860 1 15 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.190 -1.100 19221 14861 1 15 . 1 1 128 128 LEU H H 128 8.961 8.961 9.008 -0.047 19221 14862 1 15 . 1 1 129 129 SER N N 129 119.080 119.080 114.632 4.448 19221 14863 1 15 . 1 1 129 129 SER HA H 129 5.503 5.503 5.210 0.293 19221 14864 1 15 . 1 1 129 129 SER C C 129 176.225 176.225 175.516 0.709 19221 14865 1 15 . 1 1 129 129 SER CA C 129 56.630 56.630 57.016 -0.386 19221 14866 1 15 . 1 1 129 129 SER CB C 129 66.030 66.030 65.272 0.758 19221 14867 1 15 . 1 1 129 129 SER H H 129 9.512 9.512 8.271 1.241 19221 14868 1 15 . 1 1 130 130 PHE N N 130 120.530 120.530 123.797 -3.267 19221 14869 1 15 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.137 0.303 19221 14870 1 15 . 1 1 130 130 PHE C C 130 179.046 179.046 177.686 1.360 19221 14871 1 15 . 1 1 130 130 PHE CA C 130 58.730 58.730 60.011 -1.281 19221 14872 1 15 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.073 -1.553 19221 14873 1 15 . 1 1 130 130 PHE H H 130 8.712 8.712 9.319 -0.607 19221 14874 1 15 . 1 1 131 131 GLU N N 131 121.180 121.180 119.789 1.391 19221 14875 1 15 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.923 0.102 19221 14876 1 15 . 1 1 131 131 GLU C C 131 178.039 178.039 178.000 0.039 19221 14877 1 15 . 1 1 131 131 GLU CA C 131 59.870 59.870 59.934 -0.064 19221 14878 1 15 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.031 0.439 19221 14879 1 15 . 1 1 131 131 GLU H H 131 8.961 8.961 8.702 0.259 19221 14880 1 15 . 1 1 132 132 ASP N N 132 120.930 120.930 119.253 1.677 19221 14881 1 15 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.524 -0.127 19221 14882 1 15 . 1 1 132 132 ASP C C 132 180.369 180.369 178.779 1.590 19221 14883 1 15 . 1 1 132 132 ASP CA C 132 57.690 57.690 56.754 0.936 19221 14884 1 15 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.776 -0.036 19221 14885 1 15 . 1 1 132 132 ASP H H 132 8.369 8.369 7.670 0.699 19221 14886 1 15 . 1 1 133 133 ILE N N 133 120.360 120.360 120.507 -0.147 19221 14887 1 15 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.648 -0.139 19221 14888 1 15 . 1 1 133 133 ILE C C 133 178.895 178.895 178.005 0.890 19221 14889 1 15 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.081 1.199 19221 14890 1 15 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.861 -0.331 19221 14891 1 15 . 1 1 133 133 ILE H H 133 8.062 8.062 8.381 -0.319 19221 14892 1 15 . 1 1 134 134 SER N N 134 120.050 120.050 117.070 2.980 19221 14893 1 15 . 1 1 134 134 SER HA H 134 4.074 4.074 4.214 -0.140 19221 14894 1 15 . 1 1 134 134 SER C C 134 176.934 176.934 176.090 0.844 19221 14895 1 15 . 1 1 134 134 SER CA C 134 61.240 61.240 61.557 -0.317 19221 14896 1 15 . 1 1 134 134 SER CB C 134 63.400 63.400 62.937 0.463 19221 14897 1 15 . 1 1 134 134 SER H H 134 8.823 8.823 8.468 0.355 19221 14898 1 15 . 1 1 135 135 LYS N N 135 119.060 119.060 121.122 -2.062 19221 14899 1 15 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.859 0.071 19221 14900 1 15 . 1 1 135 135 LYS C C 135 178.986 178.986 178.353 0.633 19221 14901 1 15 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.880 0.390 19221 14902 1 15 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.342 0.128 19221 14903 1 15 . 1 1 135 135 LYS H H 135 8.258 8.258 7.726 0.532 19221 14904 1 15 . 1 1 136 136 ALA N N 136 118.350 118.350 119.206 -0.856 19221 14905 1 15 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.147 0.055 19221 14906 1 15 . 1 1 136 136 ALA C C 136 178.653 178.653 178.153 0.500 19221 14907 1 15 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.172 0.308 19221 14908 1 15 . 1 1 136 136 ALA CB C 136 18.841 18.841 18.967 -0.126 19221 14909 1 15 . 1 1 136 136 ALA H H 136 7.538 7.538 7.776 -0.238 19221 14910 1 15 . 1 1 137 137 THR N N 137 101.770 101.770 108.041 -6.271 19221 14911 1 15 . 1 1 137 137 THR HA H 137 4.274 4.274 4.279 -0.005 19221 14912 1 15 . 1 1 137 137 THR C C 137 172.932 172.932 174.686 -1.754 19221 14913 1 15 . 1 1 137 137 THR CA C 137 61.990 61.990 62.058 -0.068 19221 14914 1 15 . 1 1 137 137 THR CB C 137 71.200 71.200 71.077 0.123 19221 14915 1 15 . 1 1 137 137 THR H H 137 7.777 7.777 7.488 0.289 19221 14916 1 15 . 1 1 138 138 HIS N N 138 113.660 113.660 116.161 -2.501 19221 14917 1 15 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.101 -0.142 19221 14918 1 15 . 1 1 138 138 HIS C C 138 173.700 173.700 173.946 -0.246 19221 14919 1 15 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.595 -1.265 19221 14920 1 15 . 1 1 138 138 HIS CB C 138 25.410 25.410 26.283 -0.873 19221 14921 1 15 . 1 1 138 138 HIS H H 138 7.567 7.567 8.092 -0.525 19221 14922 1 15 . 1 1 139 139 LEU N N 139 120.070 120.070 120.315 -0.245 19221 14923 1 15 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.831 0.012 19221 14924 1 15 . 1 1 139 139 LEU C C 139 174.376 174.376 175.520 -1.144 19221 14925 1 15 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.023 -0.153 19221 14926 1 15 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.282 2.467 19221 14927 1 15 . 1 1 139 139 LEU H H 139 7.513 7.513 7.334 0.179 19221 14928 1 15 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.608 -0.217 19221 14929 1 15 . 1 1 140 140 PRO C C 140 177.985 177.985 178.283 -0.298 19221 14930 1 15 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.479 -0.089 19221 14931 1 15 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.491 -0.421 19221 14932 1 15 . 1 1 141 141 LYS N N 141 123.930 123.930 121.269 2.661 19221 14933 1 15 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.816 0.003 19221 14934 1 15 . 1 1 141 141 LYS C C 141 178.083 178.083 178.169 -0.086 19221 14935 1 15 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.893 -0.063 19221 14936 1 15 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.153 -0.263 19221 14937 1 15 . 1 1 141 141 LYS H H 141 8.950 8.950 8.768 0.182 19221 14938 1 15 . 1 1 142 142 ASP N N 142 114.510 114.510 116.069 -1.559 19221 14939 1 15 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.458 0.037 19221 14940 1 15 . 1 1 142 142 ASP C C 142 176.656 176.656 177.153 -0.497 19221 14941 1 15 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.738 -1.148 19221 14942 1 15 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.787 -1.047 19221 14943 1 15 . 1 1 142 142 ASP H H 142 8.491 8.491 8.540 -0.049 19221 14944 1 15 . 1 1 143 143 ASN N N 143 116.400 116.400 115.728 0.672 19221 14945 1 15 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.841 0.225 19221 14946 1 15 . 1 1 143 143 ASN C C 143 175.954 175.954 176.853 -0.899 19221 14947 1 15 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.855 -0.634 19221 14948 1 15 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.218 0.732 19221 14949 1 15 . 1 1 143 143 ASN H H 143 8.191 8.191 7.945 0.246 19221 14950 1 15 . 1 1 144 144 VAL N N 144 120.490 120.490 122.095 -1.605 19221 14951 1 15 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.406 -0.083 19221 14952 1 15 . 1 1 144 144 VAL C C 144 176.423 176.423 176.731 -0.308 19221 14953 1 15 . 1 1 144 144 VAL CA C 144 66.990 66.990 67.170 -0.180 19221 14954 1 15 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.479 -0.039 19221 14955 1 15 . 1 1 144 144 VAL H H 144 7.472 7.472 8.168 -0.696 19221 14956 1 15 . 1 1 145 145 GLU N N 145 122.340 122.340 119.186 3.154 19221 14957 1 15 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.421 -0.160 19221 14958 1 15 . 1 1 145 145 GLU C C 145 177.853 177.853 178.637 -0.784 19221 14959 1 15 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.898 0.932 19221 14960 1 15 . 1 1 145 145 GLU CB C 145 28.810 28.810 29.198 -0.388 19221 14961 1 15 . 1 1 145 145 GLU H H 145 9.141 9.141 7.464 1.677 19221 14962 1 15 . 1 1 146 146 HIS N N 146 116.970 116.970 117.116 -0.146 19221 14963 1 15 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.286 -0.112 19221 14964 1 15 . 1 1 146 146 HIS C C 146 177.947 177.947 177.378 0.569 19221 14965 1 15 . 1 1 146 146 HIS CA C 146 59.540 59.540 59.455 0.086 19221 14966 1 15 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.977 0.473 19221 14967 1 15 . 1 1 146 146 HIS H H 146 8.162 8.162 8.170 -0.008 19221 14968 1 15 . 1 1 147 147 LEU N N 147 120.670 120.670 121.064 -0.394 19221 14969 1 15 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.121 -0.161 19221 14970 1 15 . 1 1 147 147 LEU C C 147 178.427 178.427 179.008 -0.581 19221 14971 1 15 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.103 0.167 19221 14972 1 15 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.602 0.134 19221 14973 1 15 . 1 1 147 147 LEU H H 147 7.336 7.336 8.023 -0.687 19221 14974 1 15 . 1 1 148 148 VAL N N 148 118.060 118.060 115.925 2.135 19221 14975 1 15 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.680 -0.457 19221 14976 1 15 . 1 1 148 148 VAL C C 148 177.801 177.801 178.288 -0.487 19221 14977 1 15 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.673 1.288 19221 14978 1 15 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.838 0.172 19221 14979 1 15 . 1 1 148 148 VAL H H 148 8.172 8.172 8.243 -0.071 19221 14980 1 15 . 1 1 149 149 MET N N 149 117.770 117.770 119.614 -1.844 19221 14981 1 15 . 1 1 149 149 MET HA H 149 4.123 4.123 4.057 0.066 19221 14982 1 15 . 1 1 149 149 MET C C 149 179.823 179.823 178.506 1.317 19221 14983 1 15 . 1 1 149 149 MET CA C 149 58.630 58.630 59.148 -0.518 19221 14984 1 15 . 1 1 149 149 MET CB C 149 31.496 31.496 32.016 -0.519 19221 14985 1 15 . 1 1 149 149 MET H H 149 8.585 8.585 7.917 0.668 19221 14986 1 15 . 1 1 150 150 ARG N N 150 121.900 121.900 118.965 2.935 19221 14987 1 15 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.074 0.020 19221 14988 1 15 . 1 1 150 150 ARG C C 150 177.928 177.928 178.278 -0.350 19221 14989 1 15 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.221 -1.071 19221 14990 1 15 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.688 -0.938 19221 14991 1 15 . 1 1 150 150 ARG H H 150 8.160 8.160 8.224 -0.064 19221 14992 1 15 . 1 1 151 151 ALA N N 151 121.710 121.710 121.170 0.540 19221 14993 1 15 . 1 1 151 151 ALA HA H 151 3.798 3.798 4.090 -0.292 19221 14994 1 15 . 1 1 151 151 ALA C C 151 179.518 179.518 179.709 -0.191 19221 14995 1 15 . 1 1 151 151 ALA CA C 151 55.740 55.740 54.966 0.774 19221 14996 1 15 . 1 1 151 151 ALA CB C 151 17.890 17.890 17.986 -0.096 19221 14997 1 15 . 1 1 151 151 ALA H H 151 8.165 8.165 7.546 0.619 19221 14998 1 15 . 1 1 152 152 ILE N N 152 118.590 118.590 118.401 0.189 19221 14999 1 15 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.723 0.659 19221 15000 1 15 . 1 1 152 152 ILE C C 152 181.439 181.439 179.055 2.384 19221 15001 1 15 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.375 0.185 19221 15002 1 15 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.871 0.829 19221 15003 1 15 . 1 1 152 152 ILE H H 152 8.331 8.331 7.539 0.792 19221 15004 1 15 . 1 1 153 153 SER N N 153 120.250 120.250 116.803 3.447 19221 15005 1 15 . 1 1 153 153 SER HA H 153 4.279 4.279 4.164 0.115 19221 15006 1 15 . 1 1 153 153 SER C C 153 176.745 176.745 176.004 0.741 19221 15007 1 15 . 1 1 153 153 SER CA C 153 62.040 62.040 61.140 0.900 19221 15008 1 15 . 1 1 153 153 SER CB C 153 62.930 62.930 63.276 -0.346 19221 15009 1 15 . 1 1 153 153 SER H H 153 8.756 8.756 7.969 0.787 19221 15010 1 15 . 1 1 154 154 LEU N N 154 119.480 119.480 117.416 2.064 19221 15011 1 15 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.215 0.130 19221 15012 1 15 . 1 1 154 154 LEU C C 154 177.351 177.351 177.408 -0.057 19221 15013 1 15 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.563 -0.108 19221 15014 1 15 . 1 1 154 154 LEU CB C 154 44.000 44.000 42.106 1.894 19221 15015 1 15 . 1 1 154 154 LEU H H 154 8.129 8.129 7.844 0.285 19221 15016 1 15 . 1 1 155 155 GLY N N 155 106.990 106.990 106.856 0.134 19221 15017 1 15 . 1 1 155 155 GLY C C 155 174.867 174.867 175.469 -0.602 19221 15018 1 15 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.394 -0.594 19221 15019 1 15 . 1 1 155 155 GLY H H 155 8.023 8.023 7.826 0.197 19221 15020 1 15 . 1 1 156 156 LEU N N 156 116.510 116.510 118.267 -1.757 19221 15021 1 15 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.148 0.112 19221 15022 1 15 . 1 1 156 156 LEU C C 156 175.387 175.387 176.261 -0.874 19221 15023 1 15 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.234 -0.304 19221 15024 1 15 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.331 0.889 19221 15025 1 15 . 1 1 156 156 LEU H H 156 8.101 8.101 7.556 0.545 19221 15026 1 15 . 1 1 157 157 LEU N N 157 112.790 112.790 111.358 1.432 19221 15027 1 15 . 1 1 157 157 LEU HA H 157 5.000 5.000 4.945 0.055 19221 15028 1 15 . 1 1 157 157 LEU C C 157 175.382 175.382 175.438 -0.056 19221 15029 1 15 . 1 1 157 157 LEU CA C 157 53.640 53.640 52.850 0.790 19221 15030 1 15 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.599 0.961 19221 15031 1 15 . 1 1 157 157 LEU H H 157 7.194 7.194 7.306 -0.112 19221 15032 1 15 . 1 1 158 158 LYS N N 158 121.010 121.010 121.303 -0.293 19221 15033 1 15 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.754 0.041 19221 15034 1 15 . 1 1 158 158 LYS C C 158 175.461 175.461 175.456 0.005 19221 15035 1 15 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.621 0.439 19221 15036 1 15 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.442 2.748 19221 15037 1 15 . 1 1 158 158 LYS H H 158 9.056 9.056 8.960 0.096 19221 15038 1 15 . 1 1 159 159 GLY N N 159 109.800 109.800 110.960 -1.160 19221 15039 1 15 . 1 1 159 159 GLY C C 159 170.992 170.992 172.996 -2.004 19221 15040 1 15 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.290 0.850 19221 15041 1 15 . 1 1 159 159 GLY H H 159 8.287 8.287 8.051 0.236 19221 15042 1 15 . 1 1 160 160 SER N N 160 112.940 112.940 115.044 -2.104 19221 15043 1 15 . 1 1 160 160 SER HA H 160 4.780 4.780 4.733 0.047 19221 15044 1 15 . 1 1 160 160 SER C C 160 172.525 172.525 173.368 -0.843 19221 15045 1 15 . 1 1 160 160 SER CA C 160 56.840 56.840 57.471 -0.631 19221 15046 1 15 . 1 1 160 160 SER CB C 160 65.660 65.660 65.957 -0.297 19221 15047 1 15 . 1 1 160 160 SER H H 160 8.847 8.847 8.865 -0.018 19221 15048 1 15 . 1 1 161 161 ILE N N 161 123.020 123.020 124.767 -1.747 19221 15049 1 15 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.124 0.282 19221 15050 1 15 . 1 1 161 161 ILE C C 161 174.457 174.457 175.781 -1.324 19221 15051 1 15 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.387 0.032 19221 15052 1 15 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.675 1.553 19221 15053 1 15 . 1 1 161 161 ILE H H 161 8.867 8.867 8.741 0.126 19221 15054 1 15 . 1 1 162 162 ASP N N 162 128.130 128.130 126.091 2.039 19221 15055 1 15 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.987 -0.071 19221 15056 1 15 . 1 1 162 162 ASP C C 162 176.575 176.575 176.522 0.053 19221 15057 1 15 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.898 -1.158 19221 15058 1 15 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.951 0.189 19221 15059 1 15 . 1 1 162 162 ASP H H 162 8.955 8.955 8.657 0.298 19221 15060 1 15 . 1 1 163 163 GLN N N 163 123.480 123.480 120.361 3.119 19221 15061 1 15 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.740 0.113 19221 15062 1 15 . 1 1 163 163 GLN C C 163 177.627 177.627 177.558 0.069 19221 15063 1 15 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.660 0.550 19221 15064 1 15 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.450 0.471 19221 15065 1 15 . 1 1 163 163 GLN H H 163 8.982 8.982 8.803 0.179 19221 15066 1 15 . 1 1 164 164 VAL N N 164 119.220 119.220 121.172 -1.952 19221 15067 1 15 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.721 -0.038 19221 15068 1 15 . 1 1 164 164 VAL C C 164 177.519 177.519 177.278 0.241 19221 15069 1 15 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.582 1.188 19221 15070 1 15 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.500 0.430 19221 15071 1 15 . 1 1 164 164 VAL H H 164 7.974 7.974 8.300 -0.326 19221 15072 1 15 . 1 1 165 165 ASN N N 165 114.430 114.430 114.421 0.009 19221 15073 1 15 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.806 -0.205 19221 15074 1 15 . 1 1 165 165 ASN C C 165 172.795 172.795 174.092 -1.297 19221 15075 1 15 . 1 1 165 165 ASN CA C 165 52.900 52.900 52.632 0.269 19221 15076 1 15 . 1 1 165 165 ASN CB C 165 38.830 38.830 38.941 -0.111 19221 15077 1 15 . 1 1 165 165 ASN H H 165 7.502 7.502 7.630 -0.128 19221 15078 1 15 . 1 1 166 166 GLU N N 166 116.970 116.970 115.074 1.896 19221 15079 1 15 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.909 -0.895 19221 15080 1 15 . 1 1 166 166 GLU C C 166 174.562 174.562 173.895 0.667 19221 15081 1 15 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.837 -0.609 19221 15082 1 15 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.775 0.041 19221 15083 1 15 . 1 1 166 166 GLU H H 166 7.268 7.268 7.746 -0.478 19221 15084 1 15 . 1 1 167 167 LEU N N 167 117.360 117.360 115.934 1.426 19221 15085 1 15 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.108 -0.110 19221 15086 1 15 . 1 1 167 167 LEU C C 167 175.659 175.659 175.798 -0.139 19221 15087 1 15 . 1 1 167 167 LEU CA C 167 53.670 53.670 52.990 0.679 19221 15088 1 15 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.355 0.955 19221 15089 1 15 . 1 1 167 167 LEU H H 167 7.699 7.699 7.520 0.179 19221 15090 1 15 . 1 1 168 168 VAL N N 168 125.350 125.350 117.853 7.497 19221 15091 1 15 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.767 0.072 19221 15092 1 15 . 1 1 168 168 VAL C C 168 174.792 174.792 174.801 -0.009 19221 15093 1 15 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.110 0.020 19221 15094 1 15 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.010 -1.661 19221 15095 1 15 . 1 1 168 168 VAL H H 168 9.445 9.445 8.895 0.550 19221 15096 1 15 . 1 1 169 169 THR N N 169 123.020 123.020 122.515 0.505 19221 15097 1 15 . 1 1 169 169 THR HA H 169 4.869 4.869 5.133 -0.264 19221 15098 1 15 . 1 1 169 169 THR C C 169 173.876 173.876 173.617 0.259 19221 15099 1 15 . 1 1 169 169 THR CA C 169 61.580 61.580 61.626 -0.045 19221 15100 1 15 . 1 1 169 169 THR CB C 169 69.750 69.750 70.236 -0.486 19221 15101 1 15 . 1 1 169 169 THR H H 169 8.824 8.824 9.062 -0.238 19221 15102 1 15 . 1 1 170 170 ILE N N 170 126.700 126.700 127.076 -0.376 19221 15103 1 15 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.229 0.313 19221 15104 1 15 . 1 1 170 170 ILE C C 170 175.672 175.672 175.017 0.655 19221 15105 1 15 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.416 -0.086 19221 15106 1 15 . 1 1 170 170 ILE CB C 170 39.610 39.610 39.511 0.099 19221 15107 1 15 . 1 1 170 170 ILE H H 170 8.911 8.911 8.760 0.151 19221 15108 1 15 . 1 1 171 171 SER N N 171 122.780 122.780 119.516 3.264 19221 15109 1 15 . 1 1 171 171 SER HA H 171 4.670 4.670 4.795 -0.125 19221 15110 1 15 . 1 1 171 171 SER C C 171 174.700 174.700 173.718 0.982 19221 15111 1 15 . 1 1 171 171 SER CA C 171 58.280 58.280 59.316 -1.036 19221 15112 1 15 . 1 1 171 171 SER CB C 171 64.560 64.560 65.726 -1.166 19221 15113 1 15 . 1 1 171 171 SER H H 171 9.242 9.242 9.122 0.120 19221 15114 1 15 . 1 1 172 172 TRP N N 172 123.970 123.970 120.506 3.464 19221 15115 1 15 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.894 -0.259 19221 15116 1 15 . 1 1 172 172 TRP C C 172 172.618 172.618 173.446 -0.828 19221 15117 1 15 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.146 0.764 19221 15118 1 15 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.998 -1.348 19221 15119 1 15 . 1 1 172 172 TRP H H 172 7.929 7.929 7.849 0.080 19221 15120 1 15 . 1 1 173 173 VAL N N 173 123.660 123.660 123.131 0.529 19221 15121 1 15 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.138 -0.008 19221 15122 1 15 . 1 1 173 173 VAL C C 173 170.746 170.746 173.298 -2.552 19221 15123 1 15 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.472 -0.372 19221 15124 1 15 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.444 0.776 19221 15125 1 15 . 1 1 173 173 VAL H H 173 6.764 6.764 7.630 -0.866 19221 15126 1 15 . 1 1 174 174 GLN N N 174 126.430 126.430 127.035 -0.605 19221 15127 1 15 . 1 1 174 174 GLN HA H 174 3.606 3.606 4.097 -0.491 19221 15128 1 15 . 1 1 174 174 GLN C C 174 172.955 172.955 175.215 -2.260 19221 15129 1 15 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.883 -0.833 19221 15130 1 15 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.336 1.424 19221 15131 1 15 . 1 1 174 174 GLN H H 174 7.071 7.071 8.073 -1.002 19221 15132 1 15 . 1 1 175 175 PRO HA H 175 3.861 3.861 3.898 -0.037 19221 15133 1 15 . 1 1 175 175 PRO C C 175 175.955 175.955 177.046 -1.091 19221 15134 1 15 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.595 -0.845 19221 15135 1 15 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.702 0.698 19221 15136 1 16 . 1 1 2 2 LYS HA H 2 4.140 4.140 3.979 0.161 19221 15137 1 16 . 1 1 2 2 LYS CA C 2 56.090 56.090 57.206 -1.116 19221 15138 1 16 . 1 1 2 2 LYS CB C 2 32.930 32.930 31.443 1.487 19221 15139 1 16 . 1 1 4 4 ASP C C 4 176.140 176.140 175.994 0.146 19221 15140 1 16 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.651 1.879 19221 15141 1 16 . 1 1 4 4 ASP CB C 4 41.980 41.980 42.686 -0.706 19221 15142 1 16 . 1 1 5 5 PHE N N 5 122.270 122.270 122.011 0.259 19221 15143 1 16 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.264 -0.085 19221 15144 1 16 . 1 1 5 5 PHE C C 5 177.706 177.706 177.247 0.459 19221 15145 1 16 . 1 1 5 5 PHE CA C 5 61.880 61.880 62.269 -0.389 19221 15146 1 16 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.044 -0.144 19221 15147 1 16 . 1 1 5 5 PHE H H 5 7.853 7.853 8.970 -1.117 19221 15148 1 16 . 1 1 6 6 ASN N N 6 114.920 114.920 117.283 -2.363 19221 15149 1 16 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.539 -0.138 19221 15150 1 16 . 1 1 6 6 ASN C C 6 176.990 176.990 177.777 -0.787 19221 15151 1 16 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.599 -0.129 19221 15152 1 16 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.333 0.890 19221 15153 1 16 . 1 1 6 6 ASN H H 6 8.051 8.051 9.269 -1.218 19221 15154 1 16 . 1 1 7 7 SER N N 7 112.970 112.970 117.647 -4.677 19221 15155 1 16 . 1 1 7 7 SER HA H 7 4.435 4.435 4.362 0.073 19221 15156 1 16 . 1 1 7 7 SER C C 7 177.780 177.780 176.691 1.089 19221 15157 1 16 . 1 1 7 7 SER CA C 7 61.440 61.440 61.465 -0.026 19221 15158 1 16 . 1 1 7 7 SER CB C 7 62.770 62.770 63.290 -0.520 19221 15159 1 16 . 1 1 7 7 SER H H 7 8.041 8.041 7.849 0.192 19221 15160 1 16 . 1 1 8 8 PHE N N 8 123.560 123.560 124.051 -0.491 19221 15161 1 16 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.233 -0.166 19221 15162 1 16 . 1 1 8 8 PHE C C 8 177.959 177.959 177.276 0.683 19221 15163 1 16 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.872 0.238 19221 15164 1 16 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.367 -0.401 19221 15165 1 16 . 1 1 8 8 PHE H H 8 8.364 8.364 8.841 -0.477 19221 15166 1 16 . 1 1 9 9 TYR N N 9 122.550 122.550 121.542 1.008 19221 15167 1 16 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.036 -0.036 19221 15168 1 16 . 1 1 9 9 TYR C C 9 176.360 176.360 176.782 -0.422 19221 15169 1 16 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.228 -0.218 19221 15170 1 16 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.403 -0.203 19221 15171 1 16 . 1 1 9 9 TYR H H 9 8.230 8.230 9.122 -0.892 19221 15172 1 16 . 1 1 10 10 TYR N N 10 115.490 115.490 119.133 -3.643 19221 15173 1 16 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.970 0.136 19221 15174 1 16 . 1 1 10 10 TYR C C 10 180.280 180.280 177.637 2.643 19221 15175 1 16 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.596 0.924 19221 15176 1 16 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.778 -0.848 19221 15177 1 16 . 1 1 10 10 TYR H H 10 7.958 7.958 8.164 -0.206 19221 15178 1 16 . 1 1 11 11 THR N N 11 115.140 115.140 115.982 -0.842 19221 15179 1 16 . 1 1 11 11 THR HA H 11 3.934 3.934 3.698 0.236 19221 15180 1 16 . 1 1 11 11 THR CA C 11 66.560 66.560 66.790 -0.230 19221 15181 1 16 . 1 1 11 11 THR CB C 11 68.750 68.750 67.893 0.857 19221 15182 1 16 . 1 1 11 11 THR H H 11 8.806 8.806 8.529 0.277 19221 15183 1 16 . 1 1 12 12 SER N N 12 120.384 120.384 118.083 2.301 19221 15184 1 16 . 1 1 12 12 SER HA H 12 3.346 3.346 4.096 -0.750 19221 15185 1 16 . 1 1 12 12 SER C C 12 175.891 175.891 176.482 -0.591 19221 15186 1 16 . 1 1 12 12 SER CA C 12 62.740 62.740 62.005 0.736 19221 15187 1 16 . 1 1 12 12 SER CB C 12 62.580 62.580 62.810 -0.230 19221 15188 1 16 . 1 1 12 12 SER H H 12 8.151 8.151 8.017 0.134 19221 15189 1 16 . 1 1 13 13 LEU N N 13 121.640 121.640 121.547 0.093 19221 15190 1 16 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.897 -0.096 19221 15191 1 16 . 1 1 13 13 LEU C C 13 180.374 180.374 178.806 1.568 19221 15192 1 16 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.414 0.936 19221 15193 1 16 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.636 -0.226 19221 15194 1 16 . 1 1 13 13 LEU H H 13 7.893 7.893 7.747 0.146 19221 15195 1 16 . 1 1 14 14 LEU N N 14 120.470 120.470 120.605 -0.135 19221 15196 1 16 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.811 0.350 19221 15197 1 16 . 1 1 14 14 LEU C C 14 179.880 179.880 178.997 0.883 19221 15198 1 16 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.336 0.664 19221 15199 1 16 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.656 -0.106 19221 15200 1 16 . 1 1 14 14 LEU H H 14 7.528 7.528 8.177 -0.649 19221 15201 1 16 . 1 1 15 15 TYR N N 15 122.257 122.257 119.786 2.471 19221 15202 1 16 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.041 0.224 19221 15203 1 16 . 1 1 15 15 TYR C C 15 177.033 177.033 176.694 0.339 19221 15204 1 16 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.487 -0.757 19221 15205 1 16 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.261 -0.162 19221 15206 1 16 . 1 1 15 15 TYR H H 15 8.135 8.135 8.235 -0.100 19221 15207 1 16 . 1 1 16 16 LEU N N 16 118.440 118.440 117.856 0.584 19221 15208 1 16 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.834 -0.029 19221 15209 1 16 . 1 1 16 16 LEU C C 16 179.055 179.055 178.808 0.247 19221 15210 1 16 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.460 -0.247 19221 15211 1 16 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.313 0.752 19221 15212 1 16 . 1 1 16 16 LEU H H 16 8.452 8.452 7.784 0.668 19221 15213 1 16 . 1 1 17 17 SER N N 17 114.450 114.450 112.620 1.830 19221 15214 1 16 . 1 1 17 17 SER HA H 17 4.430 4.430 4.192 0.238 19221 15215 1 16 . 1 1 17 17 SER C C 17 175.197 175.197 175.528 -0.331 19221 15216 1 16 . 1 1 17 17 SER CA C 17 61.040 61.040 59.847 1.193 19221 15217 1 16 . 1 1 17 17 SER CB C 17 63.460 63.460 63.270 0.190 19221 15218 1 16 . 1 1 17 17 SER H H 17 7.848 7.848 7.664 0.184 19221 15219 1 16 . 1 1 18 18 THR N N 18 110.850 110.850 113.100 -2.250 19221 15220 1 16 . 1 1 18 18 THR HA H 18 4.452 4.452 4.091 0.361 19221 15221 1 16 . 1 1 18 18 THR C C 18 174.439 174.439 174.317 0.122 19221 15222 1 16 . 1 1 18 18 THR CA C 18 61.421 61.421 63.734 -2.313 19221 15223 1 16 . 1 1 18 18 THR CB C 18 69.940 69.940 69.082 0.858 19221 15224 1 16 . 1 1 18 18 THR H H 18 7.505 7.505 7.507 -0.002 19221 15225 1 16 . 1 1 19 19 LEU N N 19 123.180 123.180 120.765 2.415 19221 15226 1 16 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.493 -0.333 19221 15227 1 16 . 1 1 19 19 LEU C C 19 176.926 176.926 174.566 2.360 19221 15228 1 16 . 1 1 19 19 LEU CA C 19 55.290 55.290 53.231 2.058 19221 15229 1 16 . 1 1 19 19 LEU CB C 19 42.448 42.448 45.178 -2.730 19221 15230 1 16 . 1 1 19 19 LEU H H 19 7.095 7.095 7.277 -0.182 19221 15231 1 16 . 1 1 20 20 GLU N N 20 125.330 125.330 120.878 4.452 19221 15232 1 16 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.355 0.253 19221 15233 1 16 . 1 1 20 20 GLU C C 20 175.915 175.915 175.979 -0.064 19221 15234 1 16 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.366 -0.593 19221 15235 1 16 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.295 0.295 19221 15236 1 16 . 1 1 20 20 GLU H H 20 8.535 8.535 8.714 -0.179 19221 15237 1 16 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.275 0.058 19221 15238 1 16 . 1 1 21 21 PRO C C 21 177.196 177.196 178.367 -1.171 19221 15239 1 16 . 1 1 21 21 PRO CA C 21 64.780 64.780 65.413 -0.633 19221 15240 1 16 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.924 -0.074 19221 15241 1 16 . 1 1 22 22 SER N N 22 111.220 111.220 113.300 -2.080 19221 15242 1 16 . 1 1 22 22 SER HA H 22 4.398 4.398 4.225 0.173 19221 15243 1 16 . 1 1 22 22 SER C C 22 175.056 175.056 175.569 -0.513 19221 15244 1 16 . 1 1 22 22 SER CA C 22 58.530 58.530 60.789 -2.259 19221 15245 1 16 . 1 1 22 22 SER CB C 22 63.500 63.500 63.089 0.411 19221 15246 1 16 . 1 1 22 22 SER H H 22 7.967 7.967 8.632 -0.665 19221 15247 1 16 . 1 1 23 23 THR N N 23 117.440 117.440 110.044 7.396 19221 15248 1 16 . 1 1 23 23 THR HA H 23 4.279 4.279 4.579 -0.300 19221 15249 1 16 . 1 1 23 23 THR C C 23 174.573 174.573 174.991 -0.418 19221 15250 1 16 . 1 1 23 23 THR CA C 23 62.920 62.920 62.948 -0.028 19221 15251 1 16 . 1 1 23 23 THR CB C 23 69.260 69.260 70.853 -1.593 19221 15252 1 16 . 1 1 23 23 THR H H 23 7.936 7.936 7.944 -0.008 19221 15253 1 16 . 1 1 24 24 SER N N 24 119.820 119.820 117.005 2.815 19221 15254 1 16 . 1 1 24 24 SER HA H 24 4.485 4.485 4.008 0.477 19221 15255 1 16 . 1 1 24 24 SER C C 24 174.082 174.082 173.797 0.285 19221 15256 1 16 . 1 1 24 24 SER CA C 24 58.600 58.600 61.692 -3.092 19221 15257 1 16 . 1 1 24 24 SER CB C 24 63.430 63.430 62.660 0.770 19221 15258 1 16 . 1 1 24 24 SER H H 24 8.438 8.438 8.512 -0.074 19221 15259 1 16 . 1 1 25 25 ILE N N 25 123.140 123.140 116.391 6.749 19221 15260 1 16 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.430 0.049 19221 15261 1 16 . 1 1 25 25 ILE C C 25 176.472 176.472 174.326 2.146 19221 15262 1 16 . 1 1 25 25 ILE CA C 25 61.010 61.010 59.600 1.410 19221 15263 1 16 . 1 1 25 25 ILE CB C 25 39.460 39.460 40.104 -0.644 19221 15264 1 16 . 1 1 25 25 ILE H H 25 7.870 7.870 7.804 0.066 19221 15265 1 16 . 1 1 26 26 THR N N 26 118.120 118.120 112.825 5.295 19221 15266 1 16 . 1 1 26 26 THR HA H 26 4.394 4.394 4.374 0.020 19221 15267 1 16 . 1 1 26 26 THR C C 26 175.540 175.540 175.434 0.106 19221 15268 1 16 . 1 1 26 26 THR CA C 26 61.890 61.890 61.541 0.349 19221 15269 1 16 . 1 1 26 26 THR CB C 26 71.320 71.320 69.579 1.741 19221 15270 1 16 . 1 1 26 26 THR H H 26 8.649 8.649 8.211 0.438 19221 15271 1 16 . 1 1 27 27 LEU N N 27 123.130 123.130 122.477 0.653 19221 15272 1 16 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.018 0.071 19221 15273 1 16 . 1 1 27 27 LEU C C 27 178.653 178.653 178.155 0.498 19221 15274 1 16 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.394 0.366 19221 15275 1 16 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.523 -0.343 19221 15276 1 16 . 1 1 27 27 LEU H H 27 8.766 8.766 8.474 0.292 19221 15277 1 16 . 1 1 28 28 ALA N N 28 119.510 119.510 119.942 -0.432 19221 15278 1 16 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.123 0.140 19221 15279 1 16 . 1 1 28 28 ALA C C 28 178.218 178.218 179.870 -1.652 19221 15280 1 16 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.886 0.434 19221 15281 1 16 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.143 -0.023 19221 15282 1 16 . 1 1 28 28 ALA H H 28 8.546 8.546 8.420 0.126 19221 15283 1 16 . 1 1 29 29 GLU N N 29 118.210 118.210 118.185 0.025 19221 15284 1 16 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.116 -0.035 19221 15285 1 16 . 1 1 29 29 GLU C C 29 179.929 179.929 179.330 0.599 19221 15286 1 16 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.081 0.219 19221 15287 1 16 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.455 0.621 19221 15288 1 16 . 1 1 29 29 GLU H H 29 7.719 7.719 7.700 0.019 19221 15289 1 16 . 1 1 30 30 ARG N N 30 121.350 121.350 120.456 0.894 19221 15290 1 16 . 1 1 30 30 ARG HA H 30 3.959 3.959 3.977 -0.018 19221 15291 1 16 . 1 1 30 30 ARG C C 30 177.538 177.538 178.906 -1.368 19221 15292 1 16 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.968 0.677 19221 15293 1 16 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.106 0.894 19221 15294 1 16 . 1 1 30 30 ARG H H 30 8.410 8.410 8.641 -0.231 19221 15295 1 16 . 1 1 31 31 GLN N N 31 117.670 117.670 118.731 -1.061 19221 15296 1 16 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.065 -0.113 19221 15297 1 16 . 1 1 31 31 GLN C C 31 178.220 178.220 179.043 -0.823 19221 15298 1 16 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.284 -0.329 19221 15299 1 16 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.679 -0.049 19221 15300 1 16 . 1 1 31 31 GLN H H 31 8.742 8.742 8.540 0.202 19221 15301 1 16 . 1 1 32 32 GLN N N 32 117.910 117.910 118.430 -0.520 19221 15302 1 16 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.226 -0.239 19221 15303 1 16 . 1 1 32 32 GLN C C 32 177.712 177.712 178.777 -1.065 19221 15304 1 16 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.328 0.002 19221 15305 1 16 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.600 -0.280 19221 15306 1 16 . 1 1 32 32 GLN H H 32 7.732 7.732 7.829 -0.097 19221 15307 1 16 . 1 1 33 33 LEU N N 33 119.680 119.680 121.400 -1.720 19221 15308 1 16 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.122 0.282 19221 15309 1 16 . 1 1 33 33 LEU C C 33 178.876 178.876 177.869 1.007 19221 15310 1 16 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.132 0.918 19221 15311 1 16 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.557 0.243 19221 15312 1 16 . 1 1 33 33 LEU H H 33 7.846 7.846 8.699 -0.853 19221 15313 1 16 . 1 1 34 34 ALA N N 34 121.660 121.660 122.563 -0.903 19221 15314 1 16 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.927 -0.186 19221 15315 1 16 . 1 1 34 34 ALA C C 34 180.025 180.025 178.781 1.244 19221 15316 1 16 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.403 0.267 19221 15317 1 16 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.206 0.734 19221 15318 1 16 . 1 1 34 34 ALA H H 34 8.308 8.308 8.758 -0.450 19221 15319 1 16 . 1 1 35 35 TYR N N 35 120.860 120.860 119.749 1.111 19221 15320 1 16 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.661 0.097 19221 15321 1 16 . 1 1 35 35 TYR C C 35 176.384 176.384 177.033 -0.649 19221 15322 1 16 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.465 0.555 19221 15323 1 16 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.013 0.447 19221 15324 1 16 . 1 1 35 35 TYR H H 35 8.457 8.457 8.165 0.292 19221 15325 1 16 . 1 1 36 36 ASP N N 36 120.570 120.570 119.375 1.195 19221 15326 1 16 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.101 0.134 19221 15327 1 16 . 1 1 36 36 ASP C C 36 180.544 180.544 178.656 1.888 19221 15328 1 16 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.387 0.553 19221 15329 1 16 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.846 -0.376 19221 15330 1 16 . 1 1 36 36 ASP H H 36 9.072 9.072 8.403 0.669 19221 15331 1 16 . 1 1 37 37 LEU N N 37 123.000 123.000 120.571 2.429 19221 15332 1 16 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.051 0.095 19221 15333 1 16 . 1 1 37 37 LEU C C 37 178.743 178.743 179.017 -0.274 19221 15334 1 16 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.632 -0.018 19221 15335 1 16 . 1 1 37 37 LEU CB C 37 42.810 42.810 42.039 0.770 19221 15336 1 16 . 1 1 37 37 LEU H H 37 9.068 9.068 8.624 0.444 19221 15337 1 16 . 1 1 38 38 SER N N 38 116.650 116.650 115.625 1.025 19221 15338 1 16 . 1 1 38 38 SER HA H 38 3.680 3.680 4.162 -0.482 19221 15339 1 16 . 1 1 38 38 SER C C 38 174.113 174.113 176.658 -2.545 19221 15340 1 16 . 1 1 38 38 SER CA C 38 59.430 59.430 62.273 -2.843 19221 15341 1 16 . 1 1 38 38 SER CB C 38 63.559 63.559 62.754 0.805 19221 15342 1 16 . 1 1 38 38 SER H H 38 7.824 7.824 7.978 -0.154 19221 15343 1 16 . 1 1 39 39 ILE N N 39 121.198 121.198 121.764 -0.566 19221 15344 1 16 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.557 -0.152 19221 15345 1 16 . 1 1 39 39 ILE C C 39 176.113 176.113 177.792 -1.679 19221 15346 1 16 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.465 -1.105 19221 15347 1 16 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.643 -1.295 19221 15348 1 16 . 1 1 39 39 ILE H H 39 8.313 8.313 8.150 0.163 19221 15349 1 16 . 1 1 40 40 SER N N 40 115.537 115.537 115.833 -0.296 19221 15350 1 16 . 1 1 40 40 SER HA H 40 4.534 4.534 4.172 0.362 19221 15351 1 16 . 1 1 40 40 SER C C 40 174.881 174.881 175.474 -0.593 19221 15352 1 16 . 1 1 40 40 SER CA C 40 62.520 62.520 61.886 0.634 19221 15353 1 16 . 1 1 40 40 SER CB C 40 62.670 62.670 63.015 -0.345 19221 15354 1 16 . 1 1 40 40 SER H H 40 7.961 7.961 8.423 -0.462 19221 15355 1 16 . 1 1 41 41 ALA N N 41 123.360 123.360 122.700 0.660 19221 15356 1 16 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.825 -0.233 19221 15357 1 16 . 1 1 41 41 ALA C C 41 178.822 178.822 180.126 -1.304 19221 15358 1 16 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.363 -0.241 19221 15359 1 16 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.573 -0.183 19221 15360 1 16 . 1 1 41 41 ALA H H 41 7.878 7.878 7.935 -0.057 19221 15361 1 16 . 1 1 42 42 LEU N N 42 115.790 115.790 119.740 -3.950 19221 15362 1 16 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.088 -0.512 19221 15363 1 16 . 1 1 42 42 LEU C C 42 179.683 179.683 178.873 0.810 19221 15364 1 16 . 1 1 42 42 LEU CA C 42 58.731 58.731 58.055 0.676 19221 15365 1 16 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.182 0.028 19221 15366 1 16 . 1 1 42 42 LEU H H 42 7.737 7.737 8.108 -0.371 19221 15367 1 16 . 1 1 43 43 LEU N N 43 113.670 113.670 112.803 0.867 19221 15368 1 16 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.224 -0.217 19221 15369 1 16 . 1 1 43 43 LEU C C 43 177.279 177.279 177.003 0.276 19221 15370 1 16 . 1 1 43 43 LEU CA C 43 54.930 54.930 53.826 1.104 19221 15371 1 16 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.479 0.341 19221 15372 1 16 . 1 1 43 43 LEU H H 43 7.798 7.798 7.911 -0.113 19221 15373 1 16 . 1 1 44 44 GLY N N 44 108.270 108.270 107.619 0.651 19221 15374 1 16 . 1 1 44 44 GLY C C 44 177.020 177.020 174.140 2.880 19221 15375 1 16 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.864 2.026 19221 15376 1 16 . 1 1 44 44 GLY H H 44 7.984 7.984 7.466 0.518 19221 15377 1 16 . 1 1 45 45 ASP N N 45 128.400 128.400 122.469 5.931 19221 15378 1 16 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.538 0.021 19221 15379 1 16 . 1 1 45 45 ASP C C 45 177.183 177.183 176.471 0.712 19221 15380 1 16 . 1 1 45 45 ASP CA C 45 55.450 55.450 57.096 -1.646 19221 15381 1 16 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.412 -1.622 19221 15382 1 16 . 1 1 45 45 ASP H H 45 9.073 9.073 8.418 0.655 19221 15383 1 16 . 1 1 46 46 LYS N N 46 117.230 117.230 113.207 4.023 19221 15384 1 16 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.442 0.503 19221 15385 1 16 . 1 1 46 46 LYS C C 46 176.544 176.544 175.641 0.903 19221 15386 1 16 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.433 0.177 19221 15387 1 16 . 1 1 46 46 LYS CB C 46 33.960 33.960 33.084 0.876 19221 15388 1 16 . 1 1 46 46 LYS H H 46 8.987 8.987 8.151 0.836 19221 15389 1 16 . 1 1 47 47 ILE N N 47 121.540 121.540 121.924 -0.384 19221 15390 1 16 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.848 0.249 19221 15391 1 16 . 1 1 47 47 ILE C C 47 174.082 174.082 174.704 -0.622 19221 15392 1 16 . 1 1 47 47 ILE CA C 47 61.080 61.080 62.023 -0.943 19221 15393 1 16 . 1 1 47 47 ILE CB C 47 37.008 37.008 38.157 -1.149 19221 15394 1 16 . 1 1 47 47 ILE H H 47 6.840 6.840 7.920 -1.080 19221 15395 1 16 . 1 1 48 48 TYR N N 48 123.820 123.820 124.318 -0.498 19221 15396 1 16 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.111 0.198 19221 15397 1 16 . 1 1 48 48 TYR C C 48 173.249 173.249 174.028 -0.779 19221 15398 1 16 . 1 1 48 48 TYR CA C 48 57.350 57.350 58.273 -0.923 19221 15399 1 16 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.203 0.027 19221 15400 1 16 . 1 1 48 48 TYR H H 48 8.511 8.511 8.112 0.399 19221 15401 1 16 . 1 1 49 49 ASN N N 49 116.100 116.100 118.992 -2.892 19221 15402 1 16 . 1 1 49 49 ASN HA H 49 4.451 4.451 3.821 0.630 19221 15403 1 16 . 1 1 49 49 ASN C C 49 175.429 175.429 176.212 -0.783 19221 15404 1 16 . 1 1 49 49 ASN CA C 49 53.077 53.077 54.475 -1.398 19221 15405 1 16 . 1 1 49 49 ASN CB C 49 39.916 39.916 37.895 2.021 19221 15406 1 16 . 1 1 49 49 ASN H H 49 6.906 6.906 7.618 -0.712 19221 15407 1 16 . 1 1 50 50 PHE N N 50 124.360 124.360 112.686 11.674 19221 15408 1 16 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.032 0.979 19221 15409 1 16 . 1 1 50 50 PHE C C 50 176.190 176.190 177.168 -0.978 19221 15410 1 16 . 1 1 50 50 PHE CA C 50 55.863 55.863 59.809 -3.946 19221 15411 1 16 . 1 1 50 50 PHE CB C 50 38.482 38.482 36.584 1.897 19221 15412 1 16 . 1 1 50 50 PHE H H 50 8.980 8.980 7.963 1.017 19221 15413 1 16 . 1 1 51 51 GLY N N 51 109.740 109.740 106.738 3.002 19221 15414 1 16 . 1 1 51 51 GLY C C 51 175.758 175.758 175.529 0.229 19221 15415 1 16 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.462 0.838 19221 15416 1 16 . 1 1 51 51 GLY H H 51 8.658 8.658 8.140 0.518 19221 15417 1 16 . 1 1 52 52 GLU N N 52 120.700 120.700 122.338 -1.638 19221 15418 1 16 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.249 -0.167 19221 15419 1 16 . 1 1 52 52 GLU C C 52 178.240 178.240 179.091 -0.851 19221 15420 1 16 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.559 -0.349 19221 15421 1 16 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.073 0.666 19221 15422 1 16 . 1 1 52 52 GLU H H 52 8.321 8.321 8.584 -0.263 19221 15423 1 16 . 1 1 53 53 LEU N N 53 119.400 119.400 122.082 -2.682 19221 15424 1 16 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.178 -0.020 19221 15425 1 16 . 1 1 53 53 LEU C C 53 178.344 178.344 178.851 -0.507 19221 15426 1 16 . 1 1 53 53 LEU CA C 53 57.790 57.790 58.112 -0.322 19221 15427 1 16 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.502 1.338 19221 15428 1 16 . 1 1 53 53 LEU H H 53 7.694 7.694 8.115 -0.421 19221 15429 1 16 . 1 1 54 54 LEU N N 54 114.230 114.230 114.097 0.133 19221 15430 1 16 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.148 -0.225 19221 15431 1 16 . 1 1 54 54 LEU C C 54 178.643 178.643 177.326 1.317 19221 15432 1 16 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.745 0.985 19221 15433 1 16 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.734 0.116 19221 15434 1 16 . 1 1 54 54 LEU H H 54 8.369 8.369 8.052 0.317 19221 15435 1 16 . 1 1 55 55 HIS N N 55 113.420 113.420 111.674 1.746 19221 15436 1 16 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.834 -0.127 19221 15437 1 16 . 1 1 55 55 HIS C C 55 173.981 173.981 174.770 -0.789 19221 15438 1 16 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.382 0.138 19221 15439 1 16 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.129 -1.849 19221 15440 1 16 . 1 1 55 55 HIS H H 55 7.569 7.569 7.738 -0.169 19221 15441 1 16 . 1 1 56 56 HIS N N 56 126.050 126.050 123.161 2.889 19221 15442 1 16 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.681 -0.200 19221 15443 1 16 . 1 1 56 56 HIS C C 56 176.705 176.705 175.309 1.396 19221 15444 1 16 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.336 2.014 19221 15445 1 16 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.620 0.100 19221 15446 1 16 . 1 1 56 56 HIS H H 56 8.068 8.068 7.641 0.427 19221 15447 1 16 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.372 0.005 19221 15448 1 16 . 1 1 57 57 PRO C C 57 179.790 179.790 178.729 1.061 19221 15449 1 16 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.832 0.608 19221 15450 1 16 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.850 0.580 19221 15451 1 16 . 1 1 58 58 ILE N N 58 124.900 124.900 120.086 4.814 19221 15452 1 16 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.800 0.470 19221 15453 1 16 . 1 1 58 58 ILE C C 58 177.782 177.782 176.374 1.408 19221 15454 1 16 . 1 1 58 58 ILE CA C 58 62.530 62.530 64.081 -1.551 19221 15455 1 16 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.756 0.514 19221 15456 1 16 . 1 1 58 58 ILE H H 58 11.871 11.871 7.567 4.304 19221 15457 1 16 . 1 1 59 59 MET N N 59 120.230 120.230 115.093 5.137 19221 15458 1 16 . 1 1 59 59 MET HA H 59 4.431 4.431 4.674 -0.243 19221 15459 1 16 . 1 1 59 59 MET C C 59 178.757 178.757 176.969 1.788 19221 15460 1 16 . 1 1 59 59 MET CA C 59 55.720 55.720 56.945 -1.225 19221 15461 1 16 . 1 1 59 59 MET CB C 59 30.980 30.980 32.464 -1.484 19221 15462 1 16 . 1 1 59 59 MET H H 59 8.152 8.152 8.104 0.048 19221 15463 1 16 . 1 1 60 60 GLU N N 60 119.080 119.080 121.100 -2.020 19221 15464 1 16 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.854 0.154 19221 15465 1 16 . 1 1 60 60 GLU C C 60 178.242 178.242 178.390 -0.148 19221 15466 1 16 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.549 -1.029 19221 15467 1 16 . 1 1 60 60 GLU CB C 60 29.547 29.547 29.469 0.078 19221 15468 1 16 . 1 1 60 60 GLU H H 60 7.889 7.889 7.792 0.097 19221 15469 1 16 . 1 1 61 61 THR N N 61 106.740 106.740 109.993 -3.253 19221 15470 1 16 . 1 1 61 61 THR HA H 61 4.120 4.120 4.094 0.026 19221 15471 1 16 . 1 1 61 61 THR C C 61 176.056 176.056 176.000 0.056 19221 15472 1 16 . 1 1 61 61 THR CA C 61 64.520 64.520 64.965 -0.445 19221 15473 1 16 . 1 1 61 61 THR CB C 61 69.420 69.420 68.900 0.520 19221 15474 1 16 . 1 1 61 61 THR H H 61 7.558 7.558 7.737 -0.179 19221 15475 1 16 . 1 1 62 62 ILE N N 62 113.140 113.140 114.573 -1.433 19221 15476 1 16 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.621 -0.034 19221 15477 1 16 . 1 1 62 62 ILE C C 62 176.843 176.843 177.101 -0.258 19221 15478 1 16 . 1 1 62 62 ILE CA C 62 61.790 61.790 62.425 -0.635 19221 15479 1 16 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.943 0.427 19221 15480 1 16 . 1 1 62 62 ILE H H 62 7.235 7.235 7.592 -0.357 19221 15481 1 16 . 1 1 63 63 VAL N N 63 122.110 122.110 119.443 2.667 19221 15482 1 16 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.487 -0.141 19221 15483 1 16 . 1 1 63 63 VAL C C 63 175.165 175.165 177.282 -2.117 19221 15484 1 16 . 1 1 63 63 VAL CA C 63 64.440 64.440 66.039 -1.599 19221 15485 1 16 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.157 0.042 19221 15486 1 16 . 1 1 63 63 VAL H H 63 7.436 7.436 7.835 -0.399 19221 15487 1 16 . 1 1 64 64 ASN N N 64 116.810 116.810 116.784 0.026 19221 15488 1 16 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.369 0.412 19221 15489 1 16 . 1 1 64 64 ASN C C 64 174.101 174.101 176.961 -2.860 19221 15490 1 16 . 1 1 64 64 ASN CA C 64 52.900 52.900 55.562 -2.663 19221 15491 1 16 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.444 0.335 19221 15492 1 16 . 1 1 64 64 ASN H H 64 8.352 8.352 7.590 0.762 19221 15493 1 16 . 1 1 65 65 ASP N N 65 120.930 120.930 119.731 1.199 19221 15494 1 16 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.432 0.448 19221 15495 1 16 . 1 1 65 65 ASP C C 65 177.534 177.534 176.723 0.811 19221 15496 1 16 . 1 1 65 65 ASP CA C 65 53.170 53.170 55.891 -2.721 19221 15497 1 16 . 1 1 65 65 ASP CB C 65 43.100 43.100 40.788 2.312 19221 15498 1 16 . 1 1 65 65 ASP H H 65 7.453 7.453 8.163 -0.710 19221 15499 1 16 . 1 1 66 66 SER HA H 66 4.356 4.356 3.974 0.382 19221 15500 1 16 . 1 1 66 66 SER C C 66 176.310 176.310 175.350 0.960 19221 15501 1 16 . 1 1 66 66 SER CA C 66 61.350 61.350 60.562 0.788 19221 15502 1 16 . 1 1 66 66 SER CB C 66 63.120 63.120 61.426 1.694 19221 15503 1 16 . 1 1 66 66 SER H H 66 7.010 7.010 8.546 -1.536 19221 15504 1 16 . 1 1 67 67 ASN N N 67 120.050 120.050 120.368 -0.318 19221 15505 1 16 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.428 0.177 19221 15506 1 16 . 1 1 67 67 ASN C C 67 176.107 176.107 175.231 0.876 19221 15507 1 16 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.821 -0.251 19221 15508 1 16 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.579 0.021 19221 15509 1 16 . 1 1 67 67 ASN H H 67 9.014 9.014 8.396 0.618 19221 15510 1 16 . 1 1 68 68 TYR N N 68 114.840 114.840 113.831 1.009 19221 15511 1 16 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.177 0.342 19221 15512 1 16 . 1 1 68 68 TYR C C 68 175.709 175.709 175.422 0.287 19221 15513 1 16 . 1 1 68 68 TYR CA C 68 57.610 57.610 55.559 2.051 19221 15514 1 16 . 1 1 68 68 TYR CB C 68 39.750 39.750 37.586 2.164 19221 15515 1 16 . 1 1 68 68 TYR H H 68 8.276 8.276 7.629 0.647 19221 15516 1 16 . 1 1 69 69 ASP N N 69 122.810 122.810 122.302 0.508 19221 15517 1 16 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.351 0.101 19221 15518 1 16 . 1 1 69 69 ASP C C 69 178.371 178.371 177.648 0.723 19221 15519 1 16 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.660 -0.030 19221 15520 1 16 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.852 -0.222 19221 15521 1 16 . 1 1 69 69 ASP H H 69 7.806 7.806 7.972 -0.166 19221 15522 1 16 . 1 1 70 70 TRP N N 70 117.270 117.270 117.305 -0.035 19221 15523 1 16 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.481 -0.317 19221 15524 1 16 . 1 1 70 70 TRP C C 70 176.090 176.090 177.860 -1.770 19221 15525 1 16 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.758 -1.228 19221 15526 1 16 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.414 -0.864 19221 15527 1 16 . 1 1 70 70 TRP H H 70 8.172 8.172 7.797 0.375 19221 15528 1 16 . 1 1 71 71 LEU N N 71 125.263 125.263 121.916 3.347 19221 15529 1 16 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.893 -0.653 19221 15530 1 16 . 1 1 71 71 LEU C C 71 178.306 178.306 178.086 0.220 19221 15531 1 16 . 1 1 71 71 LEU CA C 71 57.610 57.610 56.941 0.668 19221 15532 1 16 . 1 1 71 71 LEU CB C 71 41.190 41.190 41.016 0.174 19221 15533 1 16 . 1 1 71 71 LEU H H 71 6.251 6.251 6.434 -0.183 19221 15534 1 16 . 1 1 72 72 PHE N N 72 117.630 117.630 119.735 -2.105 19221 15535 1 16 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.906 -0.093 19221 15536 1 16 . 1 1 72 72 PHE C C 72 178.797 178.797 177.303 1.494 19221 15537 1 16 . 1 1 72 72 PHE CA C 72 62.571 62.571 62.100 0.471 19221 15538 1 16 . 1 1 72 72 PHE CB C 72 38.810 38.810 39.091 -0.281 19221 15539 1 16 . 1 1 72 72 PHE H H 72 6.996 6.996 8.548 -1.552 19221 15540 1 16 . 1 1 73 73 GLN N N 73 117.950 117.950 118.469 -0.519 19221 15541 1 16 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.789 0.277 19221 15542 1 16 . 1 1 73 73 GLN C C 73 179.341 179.341 178.419 0.922 19221 15543 1 16 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.809 0.281 19221 15544 1 16 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.806 -0.556 19221 15545 1 16 . 1 1 73 73 GLN H H 73 8.415 8.415 8.407 0.008 19221 15546 1 16 . 1 1 74 74 LEU N N 74 122.275 122.275 121.794 0.481 19221 15547 1 16 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.061 0.009 19221 15548 1 16 . 1 1 74 74 LEU C C 74 177.889 177.889 178.358 -0.469 19221 15549 1 16 . 1 1 74 74 LEU CA C 74 58.570 58.570 58.069 0.501 19221 15550 1 16 . 1 1 74 74 LEU CB C 74 42.180 42.180 42.192 -0.012 19221 15551 1 16 . 1 1 74 74 LEU H H 74 8.365 8.365 8.296 0.069 19221 15552 1 16 . 1 1 75 75 LEU N N 75 118.123 118.123 118.574 -0.451 19221 15553 1 16 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.790 -0.063 19221 15554 1 16 . 1 1 75 75 LEU C C 75 180.172 180.172 178.358 1.814 19221 15555 1 16 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.080 0.373 19221 15556 1 16 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.008 1.332 19221 15557 1 16 . 1 1 75 75 LEU H H 75 8.210 8.210 8.381 -0.171 19221 15558 1 16 . 1 1 76 76 ASN N N 76 117.960 117.960 118.969 -1.009 19221 15559 1 16 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.115 0.260 19221 15560 1 16 . 1 1 76 76 ASN C C 76 176.582 176.582 177.239 -0.657 19221 15561 1 16 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.151 0.809 19221 15562 1 16 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.872 1.078 19221 15563 1 16 . 1 1 76 76 ASN H H 76 8.363 8.363 8.304 0.059 19221 15564 1 16 . 1 1 77 77 ALA N N 77 121.740 121.740 122.321 -0.581 19221 15565 1 16 . 1 1 77 77 ALA HA H 77 4.167 4.167 3.993 0.174 19221 15566 1 16 . 1 1 77 77 ALA C C 77 179.988 179.988 179.864 0.124 19221 15567 1 16 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.855 0.706 19221 15568 1 16 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.264 -0.934 19221 15569 1 16 . 1 1 77 77 ALA H H 77 8.385 8.385 8.035 0.350 19221 15570 1 16 . 1 1 78 78 LEU N N 78 116.550 116.550 118.264 -1.714 19221 15571 1 16 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.811 -0.158 19221 15572 1 16 . 1 1 78 78 LEU C C 78 177.576 177.576 179.630 -2.054 19221 15573 1 16 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.826 1.158 19221 15574 1 16 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.883 0.127 19221 15575 1 16 . 1 1 78 78 LEU H H 78 7.965 7.965 8.353 -0.388 19221 15576 1 16 . 1 1 79 79 THR N N 79 113.220 113.220 113.089 0.131 19221 15577 1 16 . 1 1 79 79 THR HA H 79 3.807 3.807 4.214 -0.407 19221 15578 1 16 . 1 1 79 79 THR C C 79 176.163 176.163 175.100 1.063 19221 15579 1 16 . 1 1 79 79 THR CA C 79 66.980 66.980 66.284 0.696 19221 15580 1 16 . 1 1 79 79 THR CB C 79 69.240 69.240 68.919 0.320 19221 15581 1 16 . 1 1 79 79 THR H H 79 7.565 7.565 8.059 -0.494 19221 15582 1 16 . 1 1 80 80 VAL N N 80 110.800 110.800 111.481 -0.681 19221 15583 1 16 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.507 0.002 19221 15584 1 16 . 1 1 80 80 VAL C C 80 176.751 176.751 176.199 0.552 19221 15585 1 16 . 1 1 80 80 VAL CA C 80 60.890 60.890 60.523 0.367 19221 15586 1 16 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.959 0.046 19221 15587 1 16 . 1 1 80 80 VAL H H 80 7.792 7.792 7.183 0.609 19221 15588 1 16 . 1 1 81 81 GLY N N 81 112.910 112.910 109.884 3.026 19221 15589 1 16 . 1 1 81 81 GLY C C 81 173.874 173.874 174.530 -0.656 19221 15590 1 16 . 1 1 81 81 GLY CA C 81 47.280 47.280 46.116 1.164 19221 15591 1 16 . 1 1 81 81 GLY H H 81 7.506 7.506 7.420 0.086 19221 15592 1 16 . 1 1 82 82 ASP N N 82 119.112 119.112 121.266 -2.154 19221 15593 1 16 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.548 0.292 19221 15594 1 16 . 1 1 82 82 ASP C C 82 175.706 175.706 176.191 -0.485 19221 15595 1 16 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.781 0.139 19221 15596 1 16 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.172 0.778 19221 15597 1 16 . 1 1 82 82 ASP H H 82 8.254 8.254 8.086 0.168 19221 15598 1 16 . 1 1 83 83 PHE N N 83 123.870 123.870 122.324 1.546 19221 15599 1 16 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.115 -0.287 19221 15600 1 16 . 1 1 83 83 PHE C C 83 177.950 177.950 177.014 0.936 19221 15601 1 16 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.714 1.857 19221 15602 1 16 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.051 1.069 19221 15603 1 16 . 1 1 83 83 PHE H H 83 8.025 8.025 7.726 0.299 19221 15604 1 16 . 1 1 84 84 ASP N N 84 119.583 119.583 120.726 -1.143 19221 15605 1 16 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.461 0.061 19221 15606 1 16 . 1 1 84 84 ASP C C 84 179.005 179.005 178.638 0.367 19221 15607 1 16 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.390 0.270 19221 15608 1 16 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.750 -0.190 19221 15609 1 16 . 1 1 84 84 ASP H H 84 8.464 8.464 7.524 0.940 19221 15610 1 16 . 1 1 85 85 LYS N N 85 122.200 122.200 119.918 2.282 19221 15611 1 16 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.049 0.043 19221 15612 1 16 . 1 1 85 85 LYS C C 85 178.580 178.580 179.055 -0.475 19221 15613 1 16 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.847 -0.597 19221 15614 1 16 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.261 0.049 19221 15615 1 16 . 1 1 85 85 LYS H H 85 8.009 8.009 8.245 -0.236 19221 15616 1 16 . 1 1 86 86 PHE N N 86 118.590 118.590 121.031 -2.441 19221 15617 1 16 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.095 -0.259 19221 15618 1 16 . 1 1 86 86 PHE C C 86 175.649 175.649 176.775 -1.126 19221 15619 1 16 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.573 0.837 19221 15620 1 16 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.928 1.153 19221 15621 1 16 . 1 1 86 86 PHE H H 86 8.331 8.331 8.816 -0.484 19221 15622 1 16 . 1 1 87 87 ASP N N 87 117.790 117.790 119.206 -1.416 19221 15623 1 16 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.086 0.112 19221 15624 1 16 . 1 1 87 87 ASP C C 87 178.542 178.542 178.550 -0.008 19221 15625 1 16 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.667 0.173 19221 15626 1 16 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.645 1.244 19221 15627 1 16 . 1 1 87 87 ASP H H 87 8.560 8.560 8.688 -0.128 19221 15628 1 16 . 1 1 88 88 SER N N 88 112.940 112.940 115.929 -2.989 19221 15629 1 16 . 1 1 88 88 SER HA H 88 4.153 4.153 4.244 -0.091 19221 15630 1 16 . 1 1 88 88 SER C C 88 176.823 176.823 176.021 0.802 19221 15631 1 16 . 1 1 88 88 SER CA C 88 61.590 61.590 62.002 -0.412 19221 15632 1 16 . 1 1 88 88 SER CB C 88 63.085 63.085 63.169 -0.084 19221 15633 1 16 . 1 1 88 88 SER H H 88 7.757 7.757 8.090 -0.333 19221 15634 1 16 . 1 1 89 89 LEU N N 89 121.710 121.710 121.703 0.007 19221 15635 1 16 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.161 0.007 19221 15636 1 16 . 1 1 89 89 LEU C C 89 180.006 180.006 177.890 2.116 19221 15637 1 16 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.804 0.026 19221 15638 1 16 . 1 1 89 89 LEU CB C 89 43.380 43.380 41.838 1.542 19221 15639 1 16 . 1 1 89 89 LEU H H 89 8.173 8.173 7.422 0.751 19221 15640 1 16 . 1 1 90 90 ILE N N 90 119.830 119.830 120.954 -1.124 19221 15641 1 16 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.410 0.135 19221 15642 1 16 . 1 1 90 90 ILE C C 90 177.083 177.083 178.408 -1.325 19221 15643 1 16 . 1 1 90 90 ILE CA C 90 62.910 62.910 65.052 -2.142 19221 15644 1 16 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.543 -0.463 19221 15645 1 16 . 1 1 90 90 ILE H H 90 8.424 8.424 8.481 -0.057 19221 15646 1 16 . 1 1 91 91 LYS N N 91 117.980 117.980 117.629 0.351 19221 15647 1 16 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.968 -0.067 19221 15648 1 16 . 1 1 91 91 LYS C C 91 178.803 178.803 178.150 0.653 19221 15649 1 16 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.176 0.334 19221 15650 1 16 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.270 0.490 19221 15651 1 16 . 1 1 91 91 LYS H H 91 7.569 7.569 8.149 -0.580 19221 15652 1 16 . 1 1 92 92 VAL N N 92 115.450 115.450 118.364 -2.914 19221 15653 1 16 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.940 -0.012 19221 15654 1 16 . 1 1 92 92 VAL C C 92 177.767 177.767 177.582 0.185 19221 15655 1 16 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.242 -0.692 19221 15656 1 16 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.783 0.007 19221 15657 1 16 . 1 1 92 92 VAL H H 92 7.432 7.432 7.575 -0.143 19221 15658 1 16 . 1 1 93 93 GLN N N 93 117.250 117.250 119.578 -2.328 19221 15659 1 16 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.939 0.058 19221 15660 1 16 . 1 1 93 93 GLN C C 93 178.756 178.756 178.918 -0.162 19221 15661 1 16 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.092 -0.532 19221 15662 1 16 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.582 0.088 19221 15663 1 16 . 1 1 93 93 GLN H H 93 8.127 8.127 8.388 -0.261 19221 15664 1 16 . 1 1 94 94 ILE N N 94 118.013 118.013 119.576 -1.563 19221 15665 1 16 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.756 -0.116 19221 15666 1 16 . 1 1 94 94 ILE C C 94 176.252 176.252 178.905 -2.653 19221 15667 1 16 . 1 1 94 94 ILE CA C 94 64.980 64.980 64.975 0.005 19221 15668 1 16 . 1 1 94 94 ILE CB C 94 37.130 37.130 37.563 -0.433 19221 15669 1 16 . 1 1 94 94 ILE H H 94 8.390 8.390 8.010 0.380 19221 15670 1 16 . 1 1 95 95 SER N N 95 112.220 112.220 115.889 -3.669 19221 15671 1 16 . 1 1 95 95 SER HA H 95 4.158 4.158 4.191 -0.033 19221 15672 1 16 . 1 1 95 95 SER C C 95 174.893 174.893 175.747 -0.854 19221 15673 1 16 . 1 1 95 95 SER CA C 95 59.890 59.890 60.918 -1.028 19221 15674 1 16 . 1 1 95 95 SER CB C 95 63.170 63.170 62.961 0.209 19221 15675 1 16 . 1 1 95 95 SER H H 95 7.227 7.227 8.276 -1.049 19221 15676 1 16 . 1 1 96 96 LYS N N 96 119.000 119.000 118.378 0.622 19221 15677 1 16 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.249 0.076 19221 15678 1 16 . 1 1 96 96 LYS C C 96 175.903 175.903 175.870 0.033 19221 15679 1 16 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.766 -0.166 19221 15680 1 16 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.322 0.618 19221 15681 1 16 . 1 1 96 96 LYS H H 96 7.250 7.250 7.477 -0.227 19221 15682 1 16 . 1 1 97 97 ILE N N 97 120.530 120.530 121.085 -0.555 19221 15683 1 16 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.575 0.024 19221 15684 1 16 . 1 1 97 97 ILE C C 97 173.784 173.784 174.132 -0.348 19221 15685 1 16 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.929 -0.517 19221 15686 1 16 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.234 -2.674 19221 15687 1 16 . 1 1 97 97 ILE H H 97 7.713 7.713 7.446 0.267 19221 15688 1 16 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.300 -0.007 19221 15689 1 16 . 1 1 98 98 PRO C C 98 178.885 178.885 178.317 0.568 19221 15690 1 16 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.838 0.482 19221 15691 1 16 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.128 0.142 19221 15692 1 16 . 1 1 99 99 ILE N N 99 115.600 115.600 118.754 -3.154 19221 15693 1 16 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.936 0.356 19221 15694 1 16 . 1 1 99 99 ILE C C 99 177.025 177.025 177.560 -0.535 19221 15695 1 16 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.512 -0.732 19221 15696 1 16 . 1 1 99 99 ILE CB C 99 38.080 38.080 38.086 -0.006 19221 15697 1 16 . 1 1 99 99 ILE H H 99 8.552 8.552 8.015 0.537 19221 15698 1 16 . 1 1 100 100 LEU N N 100 119.430 119.430 119.850 -0.420 19221 15699 1 16 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.110 0.113 19221 15700 1 16 . 1 1 100 100 LEU C C 100 178.223 178.223 179.475 -1.252 19221 15701 1 16 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.377 -0.267 19221 15702 1 16 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.444 0.776 19221 15703 1 16 . 1 1 100 100 LEU H H 100 7.404 7.404 7.590 -0.186 19221 15704 1 16 . 1 1 101 101 ALA N N 101 121.390 121.390 121.186 0.204 19221 15705 1 16 . 1 1 101 101 ALA HA H 101 3.917 3.917 4.022 -0.105 19221 15706 1 16 . 1 1 101 101 ALA C C 101 181.827 181.827 180.065 1.762 19221 15707 1 16 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.735 0.675 19221 15708 1 16 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.270 -0.320 19221 15709 1 16 . 1 1 101 101 ALA H H 101 7.839 7.839 8.120 -0.281 19221 15710 1 16 . 1 1 102 102 GLN N N 102 115.470 115.470 116.511 -1.041 19221 15711 1 16 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.028 0.049 19221 15712 1 16 . 1 1 102 102 GLN C C 102 176.572 176.572 176.881 -0.309 19221 15713 1 16 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.961 -0.381 19221 15714 1 16 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.070 -0.440 19221 15715 1 16 . 1 1 102 102 GLN H H 102 8.276 8.276 7.762 0.514 19221 15716 1 16 . 1 1 103 103 HIS N N 103 115.980 115.980 114.745 1.235 19221 15717 1 16 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.902 0.222 19221 15718 1 16 . 1 1 103 103 HIS C C 103 175.326 175.326 175.106 0.220 19221 15719 1 16 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.941 1.409 19221 15720 1 16 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.431 1.559 19221 15721 1 16 . 1 1 103 103 HIS H H 103 7.450 7.450 7.553 -0.103 19221 15722 1 16 . 1 1 104 104 GLU N N 104 122.920 122.920 121.765 1.155 19221 15723 1 16 . 1 1 104 104 GLU HA H 104 3.813 3.813 4.005 -0.192 19221 15724 1 16 . 1 1 104 104 GLU C C 104 177.960 177.960 177.968 -0.008 19221 15725 1 16 . 1 1 104 104 GLU CA C 104 61.510 61.510 61.159 0.351 19221 15726 1 16 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.605 -0.105 19221 15727 1 16 . 1 1 104 104 GLU H H 104 7.332 7.332 7.622 -0.290 19221 15728 1 16 . 1 1 105 105 SER N N 105 113.180 113.180 115.275 -2.095 19221 15729 1 16 . 1 1 105 105 SER HA H 105 4.234 4.234 4.292 -0.058 19221 15730 1 16 . 1 1 105 105 SER C C 105 177.512 177.512 176.721 0.791 19221 15731 1 16 . 1 1 105 105 SER CA C 105 62.100 62.100 61.016 1.084 19221 15732 1 16 . 1 1 105 105 SER CB C 105 62.100 62.100 62.796 -0.696 19221 15733 1 16 . 1 1 105 105 SER H H 105 8.931 8.931 8.575 0.356 19221 15734 1 16 . 1 1 106 106 PHE N N 106 123.770 123.770 123.851 -0.081 19221 15735 1 16 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.340 0.088 19221 15736 1 16 . 1 1 106 106 PHE C C 106 178.007 178.007 177.044 0.963 19221 15737 1 16 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.585 -0.195 19221 15738 1 16 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.305 -0.175 19221 15739 1 16 . 1 1 106 106 PHE H H 106 8.040 8.040 7.437 0.603 19221 15740 1 16 . 1 1 107 107 LEU N N 107 121.397 121.397 119.801 1.596 19221 15741 1 16 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.973 0.033 19221 15742 1 16 . 1 1 107 107 LEU C C 107 178.165 178.165 179.020 -0.855 19221 15743 1 16 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.088 0.192 19221 15744 1 16 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.576 0.593 19221 15745 1 16 . 1 1 107 107 LEU H H 107 8.481 8.481 8.820 -0.339 19221 15746 1 16 . 1 1 108 108 ARG N N 108 117.450 117.450 119.009 -1.559 19221 15747 1 16 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.045 0.094 19221 15748 1 16 . 1 1 108 108 ARG C C 108 178.343 178.343 178.145 0.198 19221 15749 1 16 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.835 -0.255 19221 15750 1 16 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.838 -0.668 19221 15751 1 16 . 1 1 108 108 ARG H H 108 8.480 8.480 8.562 -0.082 19221 15752 1 16 . 1 1 109 109 GLN N N 109 119.098 119.098 119.581 -0.483 19221 15753 1 16 . 1 1 109 109 GLN HA H 109 4.075 4.075 3.937 0.138 19221 15754 1 16 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.117 0.178 19221 15755 1 16 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.485 1.024 19221 15756 1 16 . 1 1 109 109 GLN H H 109 7.886 7.886 8.346 -0.460 19221 15757 1 16 . 1 1 110 110 LYS N N 110 121.110 121.110 121.213 -0.103 19221 15758 1 16 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.921 0.067 19221 15759 1 16 . 1 1 110 110 LYS C C 110 178.368 178.368 178.675 -0.307 19221 15760 1 16 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.488 3.062 19221 15761 1 16 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.726 -1.466 19221 15762 1 16 . 1 1 110 110 LYS H H 110 8.356 8.356 7.863 0.493 19221 15763 1 16 . 1 1 111 111 ILE N N 111 116.870 116.870 120.027 -3.157 19221 15764 1 16 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.757 0.141 19221 15765 1 16 . 1 1 111 111 ILE C C 111 178.036 178.036 176.945 1.091 19221 15766 1 16 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.128 0.973 19221 15767 1 16 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.482 -0.567 19221 15768 1 16 . 1 1 111 111 ILE H H 111 7.848 7.848 8.103 -0.255 19221 15769 1 16 . 1 1 112 112 CYS N N 112 123.990 123.990 118.481 5.509 19221 15770 1 16 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.055 0.026 19221 15771 1 16 . 1 1 112 112 CYS C C 112 176.276 176.276 176.516 -0.240 19221 15772 1 16 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.099 1.301 19221 15773 1 16 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.532 -0.162 19221 15774 1 16 . 1 1 112 112 CYS H H 112 7.473 7.473 7.574 -0.101 19221 15775 1 16 . 1 1 113 113 LEU N N 113 120.218 120.218 121.295 -1.077 19221 15776 1 16 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.700 0.143 19221 15777 1 16 . 1 1 113 113 LEU C C 113 178.584 178.584 179.046 -0.462 19221 15778 1 16 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.416 0.103 19221 15779 1 16 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.507 1.043 19221 15780 1 16 . 1 1 113 113 LEU H H 113 8.443 8.443 8.584 -0.141 19221 15781 1 16 . 1 1 114 114 MET N N 114 116.910 116.910 117.424 -0.514 19221 15782 1 16 . 1 1 114 114 MET HA H 114 3.952 3.952 4.043 -0.091 19221 15783 1 16 . 1 1 114 114 MET C C 114 178.724 178.724 178.400 0.324 19221 15784 1 16 . 1 1 114 114 MET CA C 114 60.070 60.070 58.618 1.452 19221 15785 1 16 . 1 1 114 114 MET CB C 114 32.910 32.910 31.820 1.090 19221 15786 1 16 . 1 1 114 114 MET H H 114 8.840 8.840 8.682 0.158 19221 15787 1 16 . 1 1 115 115 THR N N 115 115.670 115.670 116.530 -0.860 19221 15788 1 16 . 1 1 115 115 THR HA H 115 4.083 4.083 4.068 0.015 19221 15789 1 16 . 1 1 115 115 THR C C 115 177.434 177.434 177.004 0.430 19221 15790 1 16 . 1 1 115 115 THR CA C 115 66.740 66.740 67.226 -0.486 19221 15791 1 16 . 1 1 115 115 THR CB C 115 68.630 68.630 68.425 0.204 19221 15792 1 16 . 1 1 115 115 THR H H 115 8.095 8.095 7.876 0.219 19221 15793 1 16 . 1 1 116 116 LEU N N 116 125.420 125.420 123.255 2.165 19221 15794 1 16 . 1 1 116 116 LEU HA H 116 3.855 3.855 3.973 -0.118 19221 15795 1 16 . 1 1 116 116 LEU C C 116 176.903 176.903 178.499 -1.596 19221 15796 1 16 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.159 0.777 19221 15797 1 16 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.794 -0.118 19221 15798 1 16 . 1 1 116 116 LEU H H 116 8.164 8.164 7.622 0.542 19221 15799 1 16 . 1 1 117 117 ILE N N 117 114.740 114.740 119.441 -4.701 19221 15800 1 16 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.348 0.271 19221 15801 1 16 . 1 1 117 117 ILE C C 117 177.806 177.806 177.733 0.073 19221 15802 1 16 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.786 -1.196 19221 15803 1 16 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.209 -0.849 19221 15804 1 16 . 1 1 117 117 ILE H H 117 8.032 8.032 8.300 -0.268 19221 15805 1 16 . 1 1 118 118 GLU N N 118 121.200 121.200 120.274 0.926 19221 15806 1 16 . 1 1 118 118 GLU HA H 118 4.200 4.200 3.959 0.241 19221 15807 1 16 . 1 1 118 118 GLU C C 118 178.314 178.314 178.758 -0.444 19221 15808 1 16 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.201 -0.221 19221 15809 1 16 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.666 -0.286 19221 15810 1 16 . 1 1 118 118 GLU H H 118 8.176 8.176 8.657 -0.481 19221 15811 1 16 . 1 1 119 119 THR N N 119 114.460 114.460 116.824 -2.364 19221 15812 1 16 . 1 1 119 119 THR HA H 119 3.917 3.917 4.023 -0.106 19221 15813 1 16 . 1 1 119 119 THR C C 119 175.551 175.551 177.066 -1.515 19221 15814 1 16 . 1 1 119 119 THR CA C 119 67.470 67.470 66.951 0.519 19221 15815 1 16 . 1 1 119 119 THR CB C 119 69.110 69.110 68.566 0.544 19221 15816 1 16 . 1 1 119 119 THR H H 119 8.008 8.008 8.095 -0.087 19221 15817 1 16 . 1 1 120 120 VAL N N 120 118.050 118.050 121.126 -3.076 19221 15818 1 16 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.704 -0.084 19221 15819 1 16 . 1 1 120 120 VAL C C 120 178.213 178.213 178.121 0.092 19221 15820 1 16 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.497 -0.477 19221 15821 1 16 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.035 0.795 19221 15822 1 16 . 1 1 120 120 VAL H H 120 7.800 7.800 8.389 -0.589 19221 15823 1 16 . 1 1 121 121 PHE N N 121 118.360 118.360 121.779 -3.419 19221 15824 1 16 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.168 0.052 19221 15825 1 16 . 1 1 121 121 PHE C C 121 178.739 178.739 178.043 0.696 19221 15826 1 16 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.999 -0.459 19221 15827 1 16 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.222 0.908 19221 15828 1 16 . 1 1 121 121 PHE H H 121 8.370 8.370 8.308 0.062 19221 15829 1 16 . 1 1 122 122 VAL N N 122 118.710 118.710 117.257 1.453 19221 15830 1 16 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.761 -0.136 19221 15831 1 16 . 1 1 122 122 VAL C C 122 178.247 178.247 177.021 1.226 19221 15832 1 16 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.406 0.443 19221 15833 1 16 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.910 -0.029 19221 15834 1 16 . 1 1 122 122 VAL H H 122 8.959 8.959 8.613 0.346 19221 15835 1 16 . 1 1 123 123 LYS N N 123 115.960 115.960 117.625 -1.665 19221 15836 1 16 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.305 0.011 19221 15837 1 16 . 1 1 123 123 LYS C C 123 176.148 176.148 175.769 0.379 19221 15838 1 16 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.772 0.758 19221 15839 1 16 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.052 -0.022 19221 15840 1 16 . 1 1 123 123 LYS H H 123 7.688 7.688 7.955 -0.267 19221 15841 1 16 . 1 1 124 124 ASN N N 124 117.440 117.440 117.341 0.099 19221 15842 1 16 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.270 0.074 19221 15843 1 16 . 1 1 124 124 ASN C C 124 174.205 174.205 174.829 -0.624 19221 15844 1 16 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.809 0.112 19221 15845 1 16 . 1 1 124 124 ASN CB C 124 37.070 37.070 36.915 0.155 19221 15846 1 16 . 1 1 124 124 ASN H H 124 7.560 7.560 7.600 -0.040 19221 15847 1 16 . 1 1 125 125 ILE N N 125 116.780 116.780 117.647 -0.867 19221 15848 1 16 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.008 0.102 19221 15849 1 16 . 1 1 125 125 ILE C C 125 175.909 175.909 175.495 0.414 19221 15850 1 16 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.055 -0.485 19221 15851 1 16 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.428 1.542 19221 15852 1 16 . 1 1 125 125 ILE H H 125 7.658 7.658 7.983 -0.325 19221 15853 1 16 . 1 1 126 126 ARG N N 126 122.400 122.400 121.143 1.257 19221 15854 1 16 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.541 0.090 19221 15855 1 16 . 1 1 126 126 ARG C C 126 175.296 175.296 175.223 0.073 19221 15856 1 16 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.858 -0.648 19221 15857 1 16 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.966 -0.749 19221 15858 1 16 . 1 1 126 126 ARG H H 126 8.658 8.658 8.503 0.155 19221 15859 1 16 . 1 1 127 127 MET N N 127 119.870 119.870 117.774 2.096 19221 15860 1 16 . 1 1 127 127 MET HA H 127 5.412 5.412 5.318 0.094 19221 15861 1 16 . 1 1 127 127 MET C C 127 174.169 174.169 174.503 -0.334 19221 15862 1 16 . 1 1 127 127 MET CA C 127 55.130 55.130 54.477 0.653 19221 15863 1 16 . 1 1 127 127 MET CB C 127 35.300 35.300 36.023 -0.723 19221 15864 1 16 . 1 1 127 127 MET H H 127 7.487 7.487 7.653 -0.166 19221 15865 1 16 . 1 1 128 128 LEU N N 128 124.940 124.940 122.583 2.357 19221 15866 1 16 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.889 0.001 19221 15867 1 16 . 1 1 128 128 LEU C C 128 174.857 174.857 174.192 0.665 19221 15868 1 16 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.578 0.592 19221 15869 1 16 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.076 -0.986 19221 15870 1 16 . 1 1 128 128 LEU H H 128 8.961 8.961 8.701 0.260 19221 15871 1 16 . 1 1 129 129 SER N N 129 119.080 119.080 116.643 2.437 19221 15872 1 16 . 1 1 129 129 SER HA H 129 5.503 5.503 5.112 0.391 19221 15873 1 16 . 1 1 129 129 SER C C 129 176.225 176.225 175.557 0.668 19221 15874 1 16 . 1 1 129 129 SER CA C 129 56.630 56.630 57.131 -0.501 19221 15875 1 16 . 1 1 129 129 SER CB C 129 66.030 66.030 64.971 1.059 19221 15876 1 16 . 1 1 129 129 SER H H 129 9.512 9.512 8.226 1.286 19221 15877 1 16 . 1 1 130 130 PHE N N 130 120.530 120.530 123.259 -2.729 19221 15878 1 16 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.137 0.303 19221 15879 1 16 . 1 1 130 130 PHE C C 130 179.046 179.046 177.573 1.473 19221 15880 1 16 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.712 -0.982 19221 15881 1 16 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.079 -1.559 19221 15882 1 16 . 1 1 130 130 PHE H H 130 8.712 8.712 9.196 -0.484 19221 15883 1 16 . 1 1 131 131 GLU N N 131 121.180 121.180 120.328 0.852 19221 15884 1 16 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.860 0.165 19221 15885 1 16 . 1 1 131 131 GLU C C 131 178.039 178.039 178.278 -0.239 19221 15886 1 16 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.315 -0.445 19221 15887 1 16 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.208 0.262 19221 15888 1 16 . 1 1 131 131 GLU H H 131 8.961 8.961 8.566 0.395 19221 15889 1 16 . 1 1 132 132 ASP N N 132 120.930 120.930 119.498 1.432 19221 15890 1 16 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.451 -0.054 19221 15891 1 16 . 1 1 132 132 ASP C C 132 180.369 180.369 178.711 1.658 19221 15892 1 16 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.135 0.555 19221 15893 1 16 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.702 0.038 19221 15894 1 16 . 1 1 132 132 ASP H H 132 8.369 8.369 7.646 0.723 19221 15895 1 16 . 1 1 133 133 ILE N N 133 120.360 120.360 119.539 0.821 19221 15896 1 16 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.604 -0.095 19221 15897 1 16 . 1 1 133 133 ILE C C 133 178.895 178.895 178.160 0.735 19221 15898 1 16 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.824 0.456 19221 15899 1 16 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.807 -0.278 19221 15900 1 16 . 1 1 133 133 ILE H H 133 8.062 8.062 8.363 -0.301 19221 15901 1 16 . 1 1 134 134 SER N N 134 120.050 120.050 116.580 3.470 19221 15902 1 16 . 1 1 134 134 SER HA H 134 4.074 4.074 4.245 -0.171 19221 15903 1 16 . 1 1 134 134 SER C C 134 176.934 176.934 176.374 0.560 19221 15904 1 16 . 1 1 134 134 SER CA C 134 61.240 61.240 61.310 -0.070 19221 15905 1 16 . 1 1 134 134 SER CB C 134 63.400 63.400 62.897 0.504 19221 15906 1 16 . 1 1 134 134 SER H H 134 8.823 8.823 8.382 0.441 19221 15907 1 16 . 1 1 135 135 LYS N N 135 119.060 119.060 121.022 -1.962 19221 15908 1 16 . 1 1 135 135 LYS HA H 135 3.930 3.930 4.030 -0.100 19221 15909 1 16 . 1 1 135 135 LYS C C 135 178.986 178.986 178.734 0.252 19221 15910 1 16 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.439 0.831 19221 15911 1 16 . 1 1 135 135 LYS CB C 135 32.470 32.470 31.914 0.556 19221 15912 1 16 . 1 1 135 135 LYS H H 135 8.258 8.258 7.591 0.667 19221 15913 1 16 . 1 1 136 136 ALA N N 136 118.350 118.350 121.211 -2.861 19221 15914 1 16 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.177 0.025 19221 15915 1 16 . 1 1 136 136 ALA C C 136 178.653 178.653 179.220 -0.567 19221 15916 1 16 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.668 -0.188 19221 15917 1 16 . 1 1 136 136 ALA CB C 136 18.841 18.841 18.853 -0.012 19221 15918 1 16 . 1 1 136 136 ALA H H 136 7.538 7.538 8.171 -0.633 19221 15919 1 16 . 1 1 137 137 THR N N 137 101.770 101.770 109.517 -7.747 19221 15920 1 16 . 1 1 137 137 THR HA H 137 4.274 4.274 4.092 0.182 19221 15921 1 16 . 1 1 137 137 THR C C 137 172.932 172.932 175.284 -2.352 19221 15922 1 16 . 1 1 137 137 THR CA C 137 61.990 61.990 63.254 -1.264 19221 15923 1 16 . 1 1 137 137 THR CB C 137 71.200 71.200 70.374 0.826 19221 15924 1 16 . 1 1 137 137 THR H H 137 7.777 7.777 8.102 -0.325 19221 15925 1 16 . 1 1 138 138 HIS N N 138 113.660 113.660 119.313 -5.653 19221 15926 1 16 . 1 1 138 138 HIS HA H 138 3.959 3.959 3.994 -0.035 19221 15927 1 16 . 1 1 138 138 HIS C C 138 173.700 173.700 173.168 0.532 19221 15928 1 16 . 1 1 138 138 HIS CA C 138 56.330 56.330 56.844 -0.514 19221 15929 1 16 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.166 -1.756 19221 15930 1 16 . 1 1 138 138 HIS H H 138 7.567 7.567 7.892 -0.325 19221 15931 1 16 . 1 1 139 139 LEU N N 139 120.070 120.070 115.111 4.959 19221 15932 1 16 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.891 -0.048 19221 15933 1 16 . 1 1 139 139 LEU C C 139 174.376 174.376 174.356 0.020 19221 15934 1 16 . 1 1 139 139 LEU CA C 139 51.870 51.870 51.636 0.234 19221 15935 1 16 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.964 1.786 19221 15936 1 16 . 1 1 139 139 LEU H H 139 7.513 7.513 7.460 0.053 19221 15937 1 16 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.642 -0.251 19221 15938 1 16 . 1 1 140 140 PRO C C 140 177.985 177.985 178.393 -0.408 19221 15939 1 16 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.138 0.252 19221 15940 1 16 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.690 -0.620 19221 15941 1 16 . 1 1 141 141 LYS N N 141 123.930 123.930 121.034 2.896 19221 15942 1 16 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.738 0.081 19221 15943 1 16 . 1 1 141 141 LYS C C 141 178.083 178.083 178.058 0.025 19221 15944 1 16 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.447 0.383 19221 15945 1 16 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.037 -0.147 19221 15946 1 16 . 1 1 141 141 LYS H H 141 8.950 8.950 8.476 0.474 19221 15947 1 16 . 1 1 142 142 ASP N N 142 114.510 114.510 115.311 -0.801 19221 15948 1 16 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.402 0.093 19221 15949 1 16 . 1 1 142 142 ASP C C 142 176.656 176.656 177.020 -0.364 19221 15950 1 16 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.386 -0.796 19221 15951 1 16 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.643 -0.903 19221 15952 1 16 . 1 1 142 142 ASP H H 142 8.491 8.491 8.498 -0.007 19221 15953 1 16 . 1 1 143 143 ASN N N 143 116.400 116.400 114.962 1.438 19221 15954 1 16 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.850 0.216 19221 15955 1 16 . 1 1 143 143 ASN C C 143 175.954 175.954 176.279 -0.325 19221 15956 1 16 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.407 -0.187 19221 15957 1 16 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.636 0.314 19221 15958 1 16 . 1 1 143 143 ASN H H 143 8.191 8.191 7.881 0.310 19221 15959 1 16 . 1 1 144 144 VAL N N 144 120.490 120.490 120.941 -0.451 19221 15960 1 16 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.421 -0.098 19221 15961 1 16 . 1 1 144 144 VAL C C 144 176.423 176.423 176.603 -0.180 19221 15962 1 16 . 1 1 144 144 VAL CA C 144 66.990 66.990 66.605 0.385 19221 15963 1 16 . 1 1 144 144 VAL CB C 144 31.440 31.440 30.917 0.523 19221 15964 1 16 . 1 1 144 144 VAL H H 144 7.472 7.472 7.702 -0.230 19221 15965 1 16 . 1 1 145 145 GLU N N 145 122.340 122.340 118.222 4.118 19221 15966 1 16 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.357 -0.096 19221 15967 1 16 . 1 1 145 145 GLU C C 145 177.853 177.853 177.978 -0.125 19221 15968 1 16 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.283 1.547 19221 15969 1 16 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.703 0.107 19221 15970 1 16 . 1 1 145 145 GLU H H 145 9.141 9.141 7.709 1.432 19221 15971 1 16 . 1 1 146 146 HIS N N 146 116.970 116.970 119.138 -2.168 19221 15972 1 16 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.415 -0.241 19221 15973 1 16 . 1 1 146 146 HIS C C 146 177.947 177.947 177.814 0.133 19221 15974 1 16 . 1 1 146 146 HIS CA C 146 59.540 59.540 58.042 1.498 19221 15975 1 16 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.745 0.705 19221 15976 1 16 . 1 1 146 146 HIS H H 146 8.162 8.162 7.339 0.823 19221 15977 1 16 . 1 1 147 147 LEU N N 147 120.670 120.670 121.099 -0.429 19221 15978 1 16 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.058 -0.098 19221 15979 1 16 . 1 1 147 147 LEU C C 147 178.427 178.427 178.865 -0.438 19221 15980 1 16 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.116 0.154 19221 15981 1 16 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.517 0.220 19221 15982 1 16 . 1 1 147 147 LEU H H 147 7.336 7.336 7.689 -0.353 19221 15983 1 16 . 1 1 148 148 VAL N N 148 118.060 118.060 115.910 2.150 19221 15984 1 16 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.685 -0.462 19221 15985 1 16 . 1 1 148 148 VAL C C 148 177.801 177.801 177.950 -0.149 19221 15986 1 16 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.672 1.288 19221 15987 1 16 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.343 -0.333 19221 15988 1 16 . 1 1 148 148 VAL H H 148 8.172 8.172 7.995 0.177 19221 15989 1 16 . 1 1 149 149 MET N N 149 117.770 117.770 119.518 -1.748 19221 15990 1 16 . 1 1 149 149 MET HA H 149 4.123 4.123 4.019 0.104 19221 15991 1 16 . 1 1 149 149 MET C C 149 179.823 179.823 178.647 1.176 19221 15992 1 16 . 1 1 149 149 MET CA C 149 58.630 58.630 59.390 -0.760 19221 15993 1 16 . 1 1 149 149 MET CB C 149 31.496 31.496 32.192 -0.696 19221 15994 1 16 . 1 1 149 149 MET H H 149 8.585 8.585 8.354 0.231 19221 15995 1 16 . 1 1 150 150 ARG N N 150 121.900 121.900 118.692 3.208 19221 15996 1 16 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.132 -0.038 19221 15997 1 16 . 1 1 150 150 ARG C C 150 177.928 177.928 178.352 -0.424 19221 15998 1 16 . 1 1 150 150 ARG CA C 150 58.150 58.150 58.854 -0.704 19221 15999 1 16 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.726 -0.976 19221 16000 1 16 . 1 1 150 150 ARG H H 150 8.160 8.160 8.069 0.091 19221 16001 1 16 . 1 1 151 151 ALA N N 151 121.710 121.710 121.079 0.631 19221 16002 1 16 . 1 1 151 151 ALA HA H 151 3.798 3.798 4.012 -0.214 19221 16003 1 16 . 1 1 151 151 ALA C C 151 179.518 179.518 179.299 0.219 19221 16004 1 16 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.189 0.551 19221 16005 1 16 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.264 -0.374 19221 16006 1 16 . 1 1 151 151 ALA H H 151 8.165 8.165 7.561 0.604 19221 16007 1 16 . 1 1 152 152 ILE N N 152 118.590 118.590 118.240 0.350 19221 16008 1 16 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.823 0.559 19221 16009 1 16 . 1 1 152 152 ILE C C 152 181.439 181.439 179.005 2.434 19221 16010 1 16 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.347 0.213 19221 16011 1 16 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.788 0.912 19221 16012 1 16 . 1 1 152 152 ILE H H 152 8.331 8.331 7.603 0.728 19221 16013 1 16 . 1 1 153 153 SER N N 153 120.250 120.250 117.218 3.032 19221 16014 1 16 . 1 1 153 153 SER HA H 153 4.279 4.279 4.210 0.069 19221 16015 1 16 . 1 1 153 153 SER C C 153 176.745 176.745 176.335 0.410 19221 16016 1 16 . 1 1 153 153 SER CA C 153 62.040 62.040 61.436 0.604 19221 16017 1 16 . 1 1 153 153 SER CB C 153 62.930 62.930 62.961 -0.031 19221 16018 1 16 . 1 1 153 153 SER H H 153 8.756 8.756 7.767 0.989 19221 16019 1 16 . 1 1 154 154 LEU N N 154 119.480 119.480 117.424 2.056 19221 16020 1 16 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.246 0.099 19221 16021 1 16 . 1 1 154 154 LEU C C 154 177.351 177.351 177.164 0.187 19221 16022 1 16 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.849 -0.394 19221 16023 1 16 . 1 1 154 154 LEU CB C 154 44.000 44.000 42.175 1.825 19221 16024 1 16 . 1 1 154 154 LEU H H 154 8.129 8.129 7.965 0.164 19221 16025 1 16 . 1 1 155 155 GLY N N 155 106.990 106.990 105.597 1.393 19221 16026 1 16 . 1 1 155 155 GLY C C 155 174.867 174.867 175.219 -0.352 19221 16027 1 16 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.070 -0.270 19221 16028 1 16 . 1 1 155 155 GLY H H 155 8.023 8.023 7.832 0.191 19221 16029 1 16 . 1 1 156 156 LEU N N 156 116.510 116.510 118.386 -1.876 19221 16030 1 16 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.220 0.040 19221 16031 1 16 . 1 1 156 156 LEU C C 156 175.387 175.387 176.527 -1.140 19221 16032 1 16 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.433 -0.503 19221 16033 1 16 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.762 0.458 19221 16034 1 16 . 1 1 156 156 LEU H H 156 8.101 8.101 7.648 0.453 19221 16035 1 16 . 1 1 157 157 LEU N N 157 112.790 112.790 109.785 3.005 19221 16036 1 16 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.010 -0.010 19221 16037 1 16 . 1 1 157 157 LEU C C 157 175.382 175.382 175.230 0.152 19221 16038 1 16 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.361 0.279 19221 16039 1 16 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.536 1.024 19221 16040 1 16 . 1 1 157 157 LEU H H 157 7.194 7.194 7.385 -0.191 19221 16041 1 16 . 1 1 158 158 LYS N N 158 121.010 121.010 121.370 -0.360 19221 16042 1 16 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.849 -0.054 19221 16043 1 16 . 1 1 158 158 LYS C C 158 175.461 175.461 175.503 -0.042 19221 16044 1 16 . 1 1 158 158 LYS CA C 158 56.060 56.060 54.688 1.372 19221 16045 1 16 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.146 3.044 19221 16046 1 16 . 1 1 158 158 LYS H H 158 9.056 9.056 8.915 0.141 19221 16047 1 16 . 1 1 159 159 GLY N N 159 109.800 109.800 111.000 -1.200 19221 16048 1 16 . 1 1 159 159 GLY C C 159 170.992 170.992 172.851 -1.859 19221 16049 1 16 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.396 0.744 19221 16050 1 16 . 1 1 159 159 GLY H H 159 8.287 8.287 8.056 0.231 19221 16051 1 16 . 1 1 160 160 SER N N 160 112.940 112.940 114.034 -1.094 19221 16052 1 16 . 1 1 160 160 SER HA H 160 4.780 4.780 4.787 -0.007 19221 16053 1 16 . 1 1 160 160 SER C C 160 172.525 172.525 173.059 -0.534 19221 16054 1 16 . 1 1 160 160 SER CA C 160 56.840 56.840 57.499 -0.659 19221 16055 1 16 . 1 1 160 160 SER CB C 160 65.660 65.660 66.538 -0.878 19221 16056 1 16 . 1 1 160 160 SER H H 160 8.847 8.847 8.912 -0.065 19221 16057 1 16 . 1 1 161 161 ILE N N 161 123.020 123.020 123.403 -0.383 19221 16058 1 16 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.342 0.064 19221 16059 1 16 . 1 1 161 161 ILE C C 161 174.457 174.457 175.805 -1.348 19221 16060 1 16 . 1 1 161 161 ILE CA C 161 61.419 61.419 59.358 2.061 19221 16061 1 16 . 1 1 161 161 ILE CB C 161 40.228 40.228 37.285 2.943 19221 16062 1 16 . 1 1 161 161 ILE H H 161 8.867 8.867 8.751 0.116 19221 16063 1 16 . 1 1 162 162 ASP N N 162 128.130 128.130 130.667 -2.537 19221 16064 1 16 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.737 0.179 19221 16065 1 16 . 1 1 162 162 ASP C C 162 176.575 176.575 176.793 -0.218 19221 16066 1 16 . 1 1 162 162 ASP CA C 162 51.740 51.740 51.950 -0.210 19221 16067 1 16 . 1 1 162 162 ASP CB C 162 41.140 41.140 39.468 1.672 19221 16068 1 16 . 1 1 162 162 ASP H H 162 8.955 8.955 8.599 0.356 19221 16069 1 16 . 1 1 163 163 GLN N N 163 123.480 123.480 120.618 2.862 19221 16070 1 16 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.907 -0.054 19221 16071 1 16 . 1 1 163 163 GLN C C 163 177.627 177.627 177.626 0.001 19221 16072 1 16 . 1 1 163 163 GLN CA C 163 59.210 59.210 57.978 1.232 19221 16073 1 16 . 1 1 163 163 GLN CB C 163 28.920 28.920 27.694 1.226 19221 16074 1 16 . 1 1 163 163 GLN H H 163 8.982 8.982 8.121 0.861 19221 16075 1 16 . 1 1 164 164 VAL N N 164 119.220 119.220 119.857 -0.637 19221 16076 1 16 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.742 -0.059 19221 16077 1 16 . 1 1 164 164 VAL C C 164 177.519 177.519 177.215 0.304 19221 16078 1 16 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.874 0.896 19221 16079 1 16 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.463 0.467 19221 16080 1 16 . 1 1 164 164 VAL H H 164 7.974 7.974 8.179 -0.205 19221 16081 1 16 . 1 1 165 165 ASN N N 165 114.430 114.430 116.613 -2.183 19221 16082 1 16 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.694 -0.093 19221 16083 1 16 . 1 1 165 165 ASN C C 165 172.795 172.795 174.104 -1.309 19221 16084 1 16 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.166 -0.266 19221 16085 1 16 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.033 -0.203 19221 16086 1 16 . 1 1 165 165 ASN H H 165 7.502 7.502 7.906 -0.404 19221 16087 1 16 . 1 1 166 166 GLU N N 166 116.970 116.970 114.074 2.896 19221 16088 1 16 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.837 -0.823 19221 16089 1 16 . 1 1 166 166 GLU C C 166 174.562 174.562 173.422 1.140 19221 16090 1 16 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.725 -0.497 19221 16091 1 16 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.224 -0.408 19221 16092 1 16 . 1 1 166 166 GLU H H 166 7.268 7.268 7.351 -0.083 19221 16093 1 16 . 1 1 167 167 LEU N N 167 117.360 117.360 116.324 1.036 19221 16094 1 16 . 1 1 167 167 LEU HA H 167 4.998 4.998 4.973 0.025 19221 16095 1 16 . 1 1 167 167 LEU C C 167 175.659 175.659 175.154 0.505 19221 16096 1 16 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.555 0.115 19221 16097 1 16 . 1 1 167 167 LEU CB C 167 47.310 47.310 47.004 0.306 19221 16098 1 16 . 1 1 167 167 LEU H H 167 7.699 7.699 7.384 0.315 19221 16099 1 16 . 1 1 168 168 VAL N N 168 125.350 125.350 118.412 6.938 19221 16100 1 16 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.757 0.082 19221 16101 1 16 . 1 1 168 168 VAL C C 168 174.792 174.792 174.895 -0.103 19221 16102 1 16 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.286 -0.156 19221 16103 1 16 . 1 1 168 168 VAL CB C 168 34.349 34.349 35.947 -1.597 19221 16104 1 16 . 1 1 168 168 VAL H H 168 9.445 9.445 9.110 0.335 19221 16105 1 16 . 1 1 169 169 THR N N 169 123.020 123.020 122.230 0.790 19221 16106 1 16 . 1 1 169 169 THR HA H 169 4.869 4.869 5.152 -0.283 19221 16107 1 16 . 1 1 169 169 THR C C 169 173.876 173.876 173.725 0.151 19221 16108 1 16 . 1 1 169 169 THR CA C 169 61.580 61.580 61.812 -0.232 19221 16109 1 16 . 1 1 169 169 THR CB C 169 69.750 69.750 70.395 -0.645 19221 16110 1 16 . 1 1 169 169 THR H H 169 8.824 8.824 9.051 -0.227 19221 16111 1 16 . 1 1 170 170 ILE N N 170 126.700 126.700 126.777 -0.077 19221 16112 1 16 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.366 0.176 19221 16113 1 16 . 1 1 170 170 ILE C C 170 175.672 175.672 175.465 0.207 19221 16114 1 16 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.448 -0.118 19221 16115 1 16 . 1 1 170 170 ILE CB C 170 39.610 39.610 39.716 -0.106 19221 16116 1 16 . 1 1 170 170 ILE H H 170 8.911 8.911 8.775 0.136 19221 16117 1 16 . 1 1 171 171 SER N N 171 122.780 122.780 119.280 3.500 19221 16118 1 16 . 1 1 171 171 SER HA H 171 4.670 4.670 4.738 -0.068 19221 16119 1 16 . 1 1 171 171 SER C C 171 174.700 174.700 173.588 1.112 19221 16120 1 16 . 1 1 171 171 SER CA C 171 58.280 58.280 58.778 -0.498 19221 16121 1 16 . 1 1 171 171 SER CB C 171 64.560 64.560 65.747 -1.187 19221 16122 1 16 . 1 1 171 171 SER H H 171 9.242 9.242 9.175 0.067 19221 16123 1 16 . 1 1 172 172 TRP N N 172 123.970 123.970 120.564 3.406 19221 16124 1 16 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.802 -0.167 19221 16125 1 16 . 1 1 172 172 TRP C C 172 172.618 172.618 173.358 -0.740 19221 16126 1 16 . 1 1 172 172 TRP CA C 172 58.910 58.910 57.977 0.933 19221 16127 1 16 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.900 -1.250 19221 16128 1 16 . 1 1 172 172 TRP H H 172 7.929 7.929 7.667 0.262 19221 16129 1 16 . 1 1 173 173 VAL N N 173 123.660 123.660 122.846 0.814 19221 16130 1 16 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.109 0.021 19221 16131 1 16 . 1 1 173 173 VAL C C 173 170.746 170.746 172.750 -2.004 19221 16132 1 16 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.832 -0.732 19221 16133 1 16 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.140 0.080 19221 16134 1 16 . 1 1 173 173 VAL H H 173 6.764 6.764 7.281 -0.517 19221 16135 1 16 . 1 1 174 174 GLN N N 174 126.430 126.430 127.019 -0.589 19221 16136 1 16 . 1 1 174 174 GLN HA H 174 3.606 3.606 4.104 -0.498 19221 16137 1 16 . 1 1 174 174 GLN C C 174 172.955 172.955 174.659 -1.704 19221 16138 1 16 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.794 -0.744 19221 16139 1 16 . 1 1 174 174 GLN CB C 174 29.760 29.760 29.478 0.282 19221 16140 1 16 . 1 1 174 174 GLN H H 174 7.071 7.071 8.488 -1.417 19221 16141 1 16 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.263 -0.402 19221 16142 1 16 . 1 1 175 175 PRO C C 175 175.955 175.955 176.237 -0.282 19221 16143 1 16 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.051 -0.301 19221 16144 1 16 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.395 0.005 19221 16145 1 17 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.116 0.024 19221 16146 1 17 . 1 1 2 2 LYS CA C 2 56.090 56.090 55.675 0.415 19221 16147 1 17 . 1 1 2 2 LYS CB C 2 32.930 32.930 30.843 2.087 19221 16148 1 17 . 1 1 4 4 ASP C C 4 176.140 176.140 175.625 0.515 19221 16149 1 17 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.152 2.378 19221 16150 1 17 . 1 1 4 4 ASP CB C 4 41.980 41.980 42.334 -0.354 19221 16151 1 17 . 1 1 5 5 PHE N N 5 122.270 122.270 124.568 -2.298 19221 16152 1 17 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.283 -0.104 19221 16153 1 17 . 1 1 5 5 PHE C C 5 177.706 177.706 177.000 0.706 19221 16154 1 17 . 1 1 5 5 PHE CA C 5 61.880 61.880 62.136 -0.256 19221 16155 1 17 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.063 -0.163 19221 16156 1 17 . 1 1 5 5 PHE H H 5 7.853 7.853 8.875 -1.022 19221 16157 1 17 . 1 1 6 6 ASN N N 6 114.920 114.920 117.287 -2.367 19221 16158 1 17 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.561 -0.160 19221 16159 1 17 . 1 1 6 6 ASN C C 6 176.990 176.990 177.669 -0.679 19221 16160 1 17 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.312 0.158 19221 16161 1 17 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.523 0.700 19221 16162 1 17 . 1 1 6 6 ASN H H 6 8.051 8.051 8.883 -0.832 19221 16163 1 17 . 1 1 7 7 SER N N 7 112.970 112.970 117.155 -4.185 19221 16164 1 17 . 1 1 7 7 SER HA H 7 4.435 4.435 4.289 0.146 19221 16165 1 17 . 1 1 7 7 SER C C 7 177.780 177.780 176.737 1.043 19221 16166 1 17 . 1 1 7 7 SER CA C 7 61.440 61.440 62.194 -0.754 19221 16167 1 17 . 1 1 7 7 SER CB C 7 62.770 62.770 63.191 -0.421 19221 16168 1 17 . 1 1 7 7 SER H H 7 8.041 8.041 8.675 -0.634 19221 16169 1 17 . 1 1 8 8 PHE N N 8 123.560 123.560 123.618 -0.058 19221 16170 1 17 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.205 -0.138 19221 16171 1 17 . 1 1 8 8 PHE C C 8 177.959 177.959 177.097 0.862 19221 16172 1 17 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.334 0.776 19221 16173 1 17 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.295 -0.329 19221 16174 1 17 . 1 1 8 8 PHE H H 8 8.364 8.364 8.439 -0.075 19221 16175 1 17 . 1 1 9 9 TYR N N 9 122.550 122.550 121.732 0.818 19221 16176 1 17 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.983 0.017 19221 16177 1 17 . 1 1 9 9 TYR C C 9 176.360 176.360 176.559 -0.199 19221 16178 1 17 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.050 -0.041 19221 16179 1 17 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.322 -0.122 19221 16180 1 17 . 1 1 9 9 TYR H H 9 8.230 8.230 9.131 -0.901 19221 16181 1 17 . 1 1 10 10 TYR N N 10 115.490 115.490 119.124 -3.634 19221 16182 1 17 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.917 0.189 19221 16183 1 17 . 1 1 10 10 TYR C C 10 180.280 180.280 177.447 2.833 19221 16184 1 17 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.482 1.038 19221 16185 1 17 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.716 -0.786 19221 16186 1 17 . 1 1 10 10 TYR H H 10 7.958 7.958 7.944 0.014 19221 16187 1 17 . 1 1 11 11 THR N N 11 115.140 115.140 116.904 -1.764 19221 16188 1 17 . 1 1 11 11 THR HA H 11 3.934 3.934 3.576 0.358 19221 16189 1 17 . 1 1 11 11 THR CA C 11 66.560 66.560 66.877 -0.317 19221 16190 1 17 . 1 1 11 11 THR CB C 11 68.750 68.750 68.172 0.578 19221 16191 1 17 . 1 1 11 11 THR H H 11 8.806 8.806 8.542 0.264 19221 16192 1 17 . 1 1 12 12 SER N N 12 120.384 120.384 117.813 2.571 19221 16193 1 17 . 1 1 12 12 SER HA H 12 3.346 3.346 4.016 -0.670 19221 16194 1 17 . 1 1 12 12 SER C C 12 175.891 175.891 176.212 -0.321 19221 16195 1 17 . 1 1 12 12 SER CA C 12 62.740 62.740 62.218 0.522 19221 16196 1 17 . 1 1 12 12 SER CB C 12 62.580 62.580 62.758 -0.178 19221 16197 1 17 . 1 1 12 12 SER H H 12 8.151 8.151 7.898 0.253 19221 16198 1 17 . 1 1 13 13 LEU N N 13 121.640 121.640 121.841 -0.201 19221 16199 1 17 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.780 0.021 19221 16200 1 17 . 1 1 13 13 LEU C C 13 180.374 180.374 178.245 2.129 19221 16201 1 17 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.456 0.894 19221 16202 1 17 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.590 -0.180 19221 16203 1 17 . 1 1 13 13 LEU H H 13 7.893 7.893 7.681 0.212 19221 16204 1 17 . 1 1 14 14 LEU N N 14 120.470 120.470 119.894 0.576 19221 16205 1 17 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.756 0.405 19221 16206 1 17 . 1 1 14 14 LEU C C 14 179.880 179.880 178.459 1.421 19221 16207 1 17 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.489 0.512 19221 16208 1 17 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.721 -0.172 19221 16209 1 17 . 1 1 14 14 LEU H H 14 7.528 7.528 8.072 -0.544 19221 16210 1 17 . 1 1 15 15 TYR N N 15 122.257 122.257 118.619 3.638 19221 16211 1 17 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.189 0.076 19221 16212 1 17 . 1 1 15 15 TYR C C 15 177.033 177.033 176.735 0.298 19221 16213 1 17 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.699 0.031 19221 16214 1 17 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.409 -0.309 19221 16215 1 17 . 1 1 15 15 TYR H H 15 8.135 8.135 8.186 -0.051 19221 16216 1 17 . 1 1 16 16 LEU N N 16 118.440 118.440 117.149 1.291 19221 16217 1 17 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.857 -0.052 19221 16218 1 17 . 1 1 16 16 LEU C C 16 179.055 179.055 179.416 -0.361 19221 16219 1 17 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.310 -0.097 19221 16220 1 17 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.409 0.656 19221 16221 1 17 . 1 1 16 16 LEU H H 16 8.452 8.452 7.412 1.040 19221 16222 1 17 . 1 1 17 17 SER N N 17 114.450 114.450 114.365 0.085 19221 16223 1 17 . 1 1 17 17 SER HA H 17 4.430 4.430 4.202 0.228 19221 16224 1 17 . 1 1 17 17 SER C C 17 175.197 175.197 175.795 -0.598 19221 16225 1 17 . 1 1 17 17 SER CA C 17 61.040 61.040 60.832 0.208 19221 16226 1 17 . 1 1 17 17 SER CB C 17 63.460 63.460 63.194 0.266 19221 16227 1 17 . 1 1 17 17 SER H H 17 7.848 7.848 7.738 0.110 19221 16228 1 17 . 1 1 18 18 THR N N 18 110.850 110.850 111.567 -0.717 19221 16229 1 17 . 1 1 18 18 THR HA H 18 4.452 4.452 4.282 0.170 19221 16230 1 17 . 1 1 18 18 THR C C 18 174.439 174.439 174.360 0.079 19221 16231 1 17 . 1 1 18 18 THR CA C 18 61.421 61.421 61.378 0.043 19221 16232 1 17 . 1 1 18 18 THR CB C 18 69.940 69.940 69.164 0.776 19221 16233 1 17 . 1 1 18 18 THR H H 18 7.505 7.505 7.585 -0.080 19221 16234 1 17 . 1 1 19 19 LEU N N 19 123.180 123.180 123.834 -0.654 19221 16235 1 17 . 1 1 19 19 LEU HA H 19 4.160 4.160 3.876 0.284 19221 16236 1 17 . 1 1 19 19 LEU C C 19 176.926 176.926 176.823 0.103 19221 16237 1 17 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.363 -0.073 19221 16238 1 17 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.370 0.078 19221 16239 1 17 . 1 1 19 19 LEU H H 19 7.095 7.095 7.042 0.053 19221 16240 1 17 . 1 1 20 20 GLU N N 20 125.330 125.330 125.893 -0.563 19221 16241 1 17 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.388 0.220 19221 16242 1 17 . 1 1 20 20 GLU C C 20 175.915 175.915 175.513 0.402 19221 16243 1 17 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.002 -0.229 19221 16244 1 17 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.723 -0.133 19221 16245 1 17 . 1 1 20 20 GLU H H 20 8.535 8.535 8.374 0.161 19221 16246 1 17 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.204 0.129 19221 16247 1 17 . 1 1 21 21 PRO C C 21 177.196 177.196 177.117 0.079 19221 16248 1 17 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.381 0.399 19221 16249 1 17 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.923 -0.073 19221 16250 1 17 . 1 1 22 22 SER N N 22 111.220 111.220 115.765 -4.545 19221 16251 1 17 . 1 1 22 22 SER HA H 22 4.398 4.398 4.456 -0.058 19221 16252 1 17 . 1 1 22 22 SER C C 22 175.056 175.056 174.930 0.126 19221 16253 1 17 . 1 1 22 22 SER CA C 22 58.530 58.530 58.263 0.267 19221 16254 1 17 . 1 1 22 22 SER CB C 22 63.500 63.500 62.226 1.274 19221 16255 1 17 . 1 1 22 22 SER H H 22 7.967 7.967 8.270 -0.303 19221 16256 1 17 . 1 1 23 23 THR N N 23 117.440 117.440 116.396 1.044 19221 16257 1 17 . 1 1 23 23 THR HA H 23 4.279 4.279 4.325 -0.046 19221 16258 1 17 . 1 1 23 23 THR C C 23 174.573 174.573 174.761 -0.188 19221 16259 1 17 . 1 1 23 23 THR CA C 23 62.920 62.920 61.640 1.280 19221 16260 1 17 . 1 1 23 23 THR CB C 23 69.260 69.260 67.610 1.650 19221 16261 1 17 . 1 1 23 23 THR H H 23 7.936 7.936 8.052 -0.116 19221 16262 1 17 . 1 1 24 24 SER N N 24 119.820 119.820 116.704 3.116 19221 16263 1 17 . 1 1 24 24 SER HA H 24 4.485 4.485 4.308 0.177 19221 16264 1 17 . 1 1 24 24 SER C C 24 174.082 174.082 175.034 -0.952 19221 16265 1 17 . 1 1 24 24 SER CA C 24 58.600 58.600 59.339 -0.739 19221 16266 1 17 . 1 1 24 24 SER CB C 24 63.430 63.430 63.349 0.081 19221 16267 1 17 . 1 1 24 24 SER H H 24 8.438 8.438 8.080 0.358 19221 16268 1 17 . 1 1 25 25 ILE N N 25 123.140 123.140 122.674 0.466 19221 16269 1 17 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.084 0.395 19221 16270 1 17 . 1 1 25 25 ILE C C 25 176.472 176.472 175.680 0.792 19221 16271 1 17 . 1 1 25 25 ILE CA C 25 61.010 61.010 61.644 -0.634 19221 16272 1 17 . 1 1 25 25 ILE CB C 25 39.460 39.460 38.783 0.677 19221 16273 1 17 . 1 1 25 25 ILE H H 25 7.870 7.870 7.675 0.195 19221 16274 1 17 . 1 1 26 26 THR N N 26 118.120 118.120 114.379 3.741 19221 16275 1 17 . 1 1 26 26 THR HA H 26 4.394 4.394 4.716 -0.322 19221 16276 1 17 . 1 1 26 26 THR C C 26 175.540 175.540 175.275 0.265 19221 16277 1 17 . 1 1 26 26 THR CA C 26 61.890 61.890 59.837 2.053 19221 16278 1 17 . 1 1 26 26 THR CB C 26 71.320 71.320 71.429 -0.109 19221 16279 1 17 . 1 1 26 26 THR H H 26 8.649 8.649 8.009 0.640 19221 16280 1 17 . 1 1 27 27 LEU N N 27 123.130 123.130 121.849 1.281 19221 16281 1 17 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.071 0.018 19221 16282 1 17 . 1 1 27 27 LEU C C 27 178.653 178.653 178.201 0.452 19221 16283 1 17 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.607 1.153 19221 16284 1 17 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.493 -0.313 19221 16285 1 17 . 1 1 27 27 LEU H H 27 8.766 8.766 8.723 0.043 19221 16286 1 17 . 1 1 28 28 ALA N N 28 119.510 119.510 120.829 -1.319 19221 16287 1 17 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.106 0.157 19221 16288 1 17 . 1 1 28 28 ALA C C 28 178.218 178.218 179.996 -1.778 19221 16289 1 17 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.815 0.506 19221 16290 1 17 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.129 -0.009 19221 16291 1 17 . 1 1 28 28 ALA H H 28 8.546 8.546 8.329 0.217 19221 16292 1 17 . 1 1 29 29 GLU N N 29 118.210 118.210 118.367 -0.157 19221 16293 1 17 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.068 0.013 19221 16294 1 17 . 1 1 29 29 GLU C C 29 179.929 179.929 179.457 0.472 19221 16295 1 17 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.359 -0.060 19221 16296 1 17 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.473 0.603 19221 16297 1 17 . 1 1 29 29 GLU H H 29 7.719 7.719 7.828 -0.109 19221 16298 1 17 . 1 1 30 30 ARG N N 30 121.350 121.350 119.912 1.438 19221 16299 1 17 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.044 -0.085 19221 16300 1 17 . 1 1 30 30 ARG C C 30 177.538 177.538 178.919 -1.381 19221 16301 1 17 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.629 1.016 19221 16302 1 17 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.076 0.924 19221 16303 1 17 . 1 1 30 30 ARG H H 30 8.410 8.410 8.518 -0.108 19221 16304 1 17 . 1 1 31 31 GLN N N 31 117.670 117.670 119.738 -2.068 19221 16305 1 17 . 1 1 31 31 GLN HA H 31 3.952 3.952 3.993 -0.041 19221 16306 1 17 . 1 1 31 31 GLN C C 31 178.220 178.220 178.794 -0.574 19221 16307 1 17 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.193 -0.237 19221 16308 1 17 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.582 0.048 19221 16309 1 17 . 1 1 31 31 GLN H H 31 8.742 8.742 8.533 0.209 19221 16310 1 17 . 1 1 32 32 GLN N N 32 117.910 117.910 119.084 -1.174 19221 16311 1 17 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.022 -0.035 19221 16312 1 17 . 1 1 32 32 GLN C C 32 177.712 177.712 178.642 -0.930 19221 16313 1 17 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.443 -0.113 19221 16314 1 17 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.331 -0.011 19221 16315 1 17 . 1 1 32 32 GLN H H 32 7.732 7.732 7.946 -0.214 19221 16316 1 17 . 1 1 33 33 LEU N N 33 119.680 119.680 121.425 -1.745 19221 16317 1 17 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.057 0.347 19221 16318 1 17 . 1 1 33 33 LEU C C 33 178.876 178.876 178.199 0.677 19221 16319 1 17 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.582 0.468 19221 16320 1 17 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.261 0.539 19221 16321 1 17 . 1 1 33 33 LEU H H 33 7.846 7.846 8.472 -0.626 19221 16322 1 17 . 1 1 34 34 ALA N N 34 121.660 121.660 122.047 -0.387 19221 16323 1 17 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.920 -0.179 19221 16324 1 17 . 1 1 34 34 ALA C C 34 180.025 180.025 179.172 0.853 19221 16325 1 17 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.230 0.440 19221 16326 1 17 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.124 0.816 19221 16327 1 17 . 1 1 34 34 ALA H H 34 8.308 8.308 8.566 -0.258 19221 16328 1 17 . 1 1 35 35 TYR N N 35 120.860 120.860 119.434 1.426 19221 16329 1 17 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.848 -0.090 19221 16330 1 17 . 1 1 35 35 TYR C C 35 176.384 176.384 177.373 -0.989 19221 16331 1 17 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.940 0.080 19221 16332 1 17 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.081 0.379 19221 16333 1 17 . 1 1 35 35 TYR H H 35 8.457 8.457 8.433 0.024 19221 16334 1 17 . 1 1 36 36 ASP N N 36 120.570 120.570 119.076 1.494 19221 16335 1 17 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.082 0.153 19221 16336 1 17 . 1 1 36 36 ASP C C 36 180.544 180.544 178.621 1.923 19221 16337 1 17 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.063 0.877 19221 16338 1 17 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.880 -0.410 19221 16339 1 17 . 1 1 36 36 ASP H H 36 9.072 9.072 8.217 0.855 19221 16340 1 17 . 1 1 37 37 LEU N N 37 123.000 123.000 121.619 1.381 19221 16341 1 17 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.112 0.034 19221 16342 1 17 . 1 1 37 37 LEU C C 37 178.743 178.743 178.267 0.476 19221 16343 1 17 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.784 -0.170 19221 16344 1 17 . 1 1 37 37 LEU CB C 37 42.810 42.810 42.006 0.804 19221 16345 1 17 . 1 1 37 37 LEU H H 37 9.068 9.068 8.567 0.501 19221 16346 1 17 . 1 1 38 38 SER N N 38 116.650 116.650 115.131 1.519 19221 16347 1 17 . 1 1 38 38 SER HA H 38 3.680 3.680 4.120 -0.440 19221 16348 1 17 . 1 1 38 38 SER C C 38 174.113 174.113 176.764 -2.651 19221 16349 1 17 . 1 1 38 38 SER CA C 38 59.430 59.430 62.213 -2.783 19221 16350 1 17 . 1 1 38 38 SER CB C 38 63.559 63.559 62.866 0.693 19221 16351 1 17 . 1 1 38 38 SER H H 38 7.824 7.824 7.795 0.029 19221 16352 1 17 . 1 1 39 39 ILE N N 39 121.198 121.198 122.536 -1.338 19221 16353 1 17 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.519 -0.114 19221 16354 1 17 . 1 1 39 39 ILE C C 39 176.113 176.113 177.688 -1.575 19221 16355 1 17 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.630 -1.270 19221 16356 1 17 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.612 -1.264 19221 16357 1 17 . 1 1 39 39 ILE H H 39 8.313 8.313 8.304 0.009 19221 16358 1 17 . 1 1 40 40 SER N N 40 115.537 115.537 115.599 -0.062 19221 16359 1 17 . 1 1 40 40 SER HA H 40 4.534 4.534 4.258 0.276 19221 16360 1 17 . 1 1 40 40 SER C C 40 174.881 174.881 175.513 -0.632 19221 16361 1 17 . 1 1 40 40 SER CA C 40 62.520 62.520 61.949 0.571 19221 16362 1 17 . 1 1 40 40 SER CB C 40 62.670 62.670 62.937 -0.267 19221 16363 1 17 . 1 1 40 40 SER H H 40 7.961 7.961 8.372 -0.411 19221 16364 1 17 . 1 1 41 41 ALA N N 41 123.360 123.360 122.808 0.552 19221 16365 1 17 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.840 -0.248 19221 16366 1 17 . 1 1 41 41 ALA C C 41 178.822 178.822 180.101 -1.279 19221 16367 1 17 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.266 -0.144 19221 16368 1 17 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.260 0.130 19221 16369 1 17 . 1 1 41 41 ALA H H 41 7.878 7.878 7.596 0.282 19221 16370 1 17 . 1 1 42 42 LEU N N 42 115.790 115.790 119.359 -3.569 19221 16371 1 17 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.110 -0.534 19221 16372 1 17 . 1 1 42 42 LEU C C 42 179.683 179.683 178.676 1.007 19221 16373 1 17 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.633 1.098 19221 16374 1 17 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.222 -0.012 19221 16375 1 17 . 1 1 42 42 LEU H H 42 7.737 7.737 8.010 -0.273 19221 16376 1 17 . 1 1 43 43 LEU N N 43 113.670 113.670 113.983 -0.313 19221 16377 1 17 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.321 -0.314 19221 16378 1 17 . 1 1 43 43 LEU C C 43 177.279 177.279 177.169 0.110 19221 16379 1 17 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.049 0.881 19221 16380 1 17 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.814 0.006 19221 16381 1 17 . 1 1 43 43 LEU H H 43 7.798 7.798 7.888 -0.090 19221 16382 1 17 . 1 1 44 44 GLY N N 44 108.270 108.270 107.962 0.308 19221 16383 1 17 . 1 1 44 44 GLY C C 44 177.020 177.020 175.398 1.622 19221 16384 1 17 . 1 1 44 44 GLY CA C 44 46.890 46.890 45.095 1.795 19221 16385 1 17 . 1 1 44 44 GLY H H 44 7.984 7.984 7.387 0.597 19221 16386 1 17 . 1 1 45 45 ASP N N 45 128.400 128.400 124.512 3.888 19221 16387 1 17 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.449 0.110 19221 16388 1 17 . 1 1 45 45 ASP C C 45 177.183 177.183 176.713 0.470 19221 16389 1 17 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.946 -1.496 19221 16390 1 17 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.278 -1.488 19221 16391 1 17 . 1 1 45 45 ASP H H 45 9.073 9.073 8.907 0.166 19221 16392 1 17 . 1 1 46 46 LYS N N 46 117.230 117.230 113.749 3.481 19221 16393 1 17 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.491 0.454 19221 16394 1 17 . 1 1 46 46 LYS C C 46 176.544 176.544 175.673 0.871 19221 16395 1 17 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.841 -0.231 19221 16396 1 17 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.720 1.240 19221 16397 1 17 . 1 1 46 46 LYS H H 46 8.987 8.987 8.221 0.766 19221 16398 1 17 . 1 1 47 47 ILE N N 47 121.540 121.540 124.799 -3.259 19221 16399 1 17 . 1 1 47 47 ILE HA H 47 4.097 4.097 4.020 0.077 19221 16400 1 17 . 1 1 47 47 ILE C C 47 174.082 174.082 175.805 -1.723 19221 16401 1 17 . 1 1 47 47 ILE CA C 47 61.080 61.080 61.753 -0.673 19221 16402 1 17 . 1 1 47 47 ILE CB C 47 37.008 37.008 36.250 0.758 19221 16403 1 17 . 1 1 47 47 ILE H H 47 6.840 6.840 7.485 -0.645 19221 16404 1 17 . 1 1 48 48 TYR N N 48 123.820 123.820 128.904 -5.084 19221 16405 1 17 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.090 0.219 19221 16406 1 17 . 1 1 48 48 TYR C C 48 173.249 173.249 173.806 -0.557 19221 16407 1 17 . 1 1 48 48 TYR CA C 48 57.350 57.350 60.109 -2.759 19221 16408 1 17 . 1 1 48 48 TYR CB C 48 39.230 39.230 38.971 0.259 19221 16409 1 17 . 1 1 48 48 TYR H H 48 8.511 8.511 7.875 0.636 19221 16410 1 17 . 1 1 49 49 ASN N N 49 116.100 116.100 113.765 2.335 19221 16411 1 17 . 1 1 49 49 ASN HA H 49 4.451 4.451 3.973 0.478 19221 16412 1 17 . 1 1 49 49 ASN C C 49 175.429 175.429 174.829 0.600 19221 16413 1 17 . 1 1 49 49 ASN CA C 49 53.077 53.077 51.189 1.888 19221 16414 1 17 . 1 1 49 49 ASN CB C 49 39.916 39.916 39.766 0.150 19221 16415 1 17 . 1 1 49 49 ASN H H 49 6.906 6.906 6.935 -0.029 19221 16416 1 17 . 1 1 50 50 PHE N N 50 124.360 124.360 122.431 1.929 19221 16417 1 17 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.253 0.758 19221 16418 1 17 . 1 1 50 50 PHE C C 50 176.190 176.190 177.228 -1.038 19221 16419 1 17 . 1 1 50 50 PHE CA C 50 55.863 55.863 58.610 -2.747 19221 16420 1 17 . 1 1 50 50 PHE CB C 50 38.482 38.482 38.858 -0.376 19221 16421 1 17 . 1 1 50 50 PHE H H 50 8.980 8.980 8.225 0.755 19221 16422 1 17 . 1 1 51 51 GLY N N 51 109.740 109.740 106.924 2.816 19221 16423 1 17 . 1 1 51 51 GLY C C 51 175.758 175.758 175.078 0.680 19221 16424 1 17 . 1 1 51 51 GLY CA C 51 48.300 48.300 46.433 1.867 19221 16425 1 17 . 1 1 51 51 GLY H H 51 8.658 8.658 8.155 0.503 19221 16426 1 17 . 1 1 52 52 GLU N N 52 120.700 120.700 120.235 0.465 19221 16427 1 17 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.654 -0.572 19221 16428 1 17 . 1 1 52 52 GLU C C 52 178.240 178.240 177.653 0.587 19221 16429 1 17 . 1 1 52 52 GLU CA C 52 59.210 59.210 56.311 2.899 19221 16430 1 17 . 1 1 52 52 GLU CB C 52 29.739 29.739 30.746 -1.007 19221 16431 1 17 . 1 1 52 52 GLU H H 52 8.321 8.321 8.145 0.176 19221 16432 1 17 . 1 1 53 53 LEU N N 53 119.400 119.400 124.080 -4.680 19221 16433 1 17 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.170 -0.012 19221 16434 1 17 . 1 1 53 53 LEU C C 53 178.344 178.344 177.817 0.527 19221 16435 1 17 . 1 1 53 53 LEU CA C 53 57.790 57.790 58.517 -0.727 19221 16436 1 17 . 1 1 53 53 LEU CB C 53 42.840 42.840 41.946 0.894 19221 16437 1 17 . 1 1 53 53 LEU H H 53 7.694 7.694 7.709 -0.015 19221 16438 1 17 . 1 1 54 54 LEU N N 54 114.230 114.230 117.580 -3.350 19221 16439 1 17 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.077 -0.154 19221 16440 1 17 . 1 1 54 54 LEU C C 54 178.643 178.643 177.193 1.450 19221 16441 1 17 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.715 1.014 19221 16442 1 17 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.730 0.120 19221 16443 1 17 . 1 1 54 54 LEU H H 54 8.369 8.369 8.154 0.215 19221 16444 1 17 . 1 1 55 55 HIS N N 55 113.420 113.420 116.332 -2.912 19221 16445 1 17 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.788 -0.081 19221 16446 1 17 . 1 1 55 55 HIS C C 55 173.981 173.981 174.397 -0.416 19221 16447 1 17 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.748 -0.228 19221 16448 1 17 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.215 -1.935 19221 16449 1 17 . 1 1 55 55 HIS H H 55 7.569 7.569 8.177 -0.608 19221 16450 1 17 . 1 1 56 56 HIS N N 56 126.050 126.050 123.069 2.981 19221 16451 1 17 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.737 -0.256 19221 16452 1 17 . 1 1 56 56 HIS C C 56 176.705 176.705 174.351 2.354 19221 16453 1 17 . 1 1 56 56 HIS CA C 56 57.350 57.350 55.605 1.746 19221 16454 1 17 . 1 1 56 56 HIS CB C 56 31.720 31.720 30.902 0.817 19221 16455 1 17 . 1 1 56 56 HIS H H 56 8.068 8.068 8.058 0.010 19221 16456 1 17 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.494 -0.117 19221 16457 1 17 . 1 1 57 57 PRO C C 57 179.790 179.790 175.422 4.368 19221 16458 1 17 . 1 1 57 57 PRO CA C 57 65.440 65.440 63.985 1.455 19221 16459 1 17 . 1 1 57 57 PRO CB C 57 32.430 32.430 30.409 2.021 19221 16460 1 17 . 1 1 58 58 ILE N N 58 124.900 124.900 121.172 3.728 19221 16461 1 17 . 1 1 58 58 ILE HA H 58 4.270 4.270 4.451 -0.181 19221 16462 1 17 . 1 1 58 58 ILE C C 58 177.782 177.782 175.497 2.285 19221 16463 1 17 . 1 1 58 58 ILE CA C 58 62.530 62.530 60.964 1.566 19221 16464 1 17 . 1 1 58 58 ILE CB C 58 38.270 38.270 40.691 -2.421 19221 16465 1 17 . 1 1 58 58 ILE H H 58 11.871 11.871 8.756 3.115 19221 16466 1 17 . 1 1 59 59 MET N N 59 120.230 120.230 120.285 -0.055 19221 16467 1 17 . 1 1 59 59 MET HA H 59 4.431 4.431 4.209 0.222 19221 16468 1 17 . 1 1 59 59 MET C C 59 178.757 178.757 177.969 0.788 19221 16469 1 17 . 1 1 59 59 MET CA C 59 55.720 55.720 56.803 -1.083 19221 16470 1 17 . 1 1 59 59 MET CB C 59 30.980 30.980 30.975 0.005 19221 16471 1 17 . 1 1 59 59 MET H H 59 8.152 8.152 7.798 0.354 19221 16472 1 17 . 1 1 60 60 GLU N N 60 119.080 119.080 118.574 0.506 19221 16473 1 17 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.890 0.118 19221 16474 1 17 . 1 1 60 60 GLU C C 60 178.242 178.242 178.499 -0.257 19221 16475 1 17 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.125 -0.605 19221 16476 1 17 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.640 0.907 19221 16477 1 17 . 1 1 60 60 GLU H H 60 7.889 7.889 8.755 -0.866 19221 16478 1 17 . 1 1 61 61 THR N N 61 106.740 106.740 110.497 -3.757 19221 16479 1 17 . 1 1 61 61 THR HA H 61 4.120 4.120 4.137 -0.017 19221 16480 1 17 . 1 1 61 61 THR C C 61 176.056 176.056 175.928 0.128 19221 16481 1 17 . 1 1 61 61 THR CA C 61 64.520 64.520 64.560 -0.040 19221 16482 1 17 . 1 1 61 61 THR CB C 61 69.420 69.420 69.296 0.124 19221 16483 1 17 . 1 1 61 61 THR H H 61 7.558 7.558 7.794 -0.236 19221 16484 1 17 . 1 1 62 62 ILE N N 62 113.140 113.140 113.363 -0.223 19221 16485 1 17 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.608 -0.021 19221 16486 1 17 . 1 1 62 62 ILE C C 62 176.843 176.843 177.111 -0.268 19221 16487 1 17 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.722 0.068 19221 16488 1 17 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.184 0.187 19221 16489 1 17 . 1 1 62 62 ILE H H 62 7.235 7.235 7.551 -0.316 19221 16490 1 17 . 1 1 63 63 VAL N N 63 122.110 122.110 119.521 2.589 19221 16491 1 17 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.783 -0.437 19221 16492 1 17 . 1 1 63 63 VAL C C 63 175.165 175.165 176.556 -1.391 19221 16493 1 17 . 1 1 63 63 VAL CA C 63 64.440 64.440 64.807 -0.367 19221 16494 1 17 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.251 -0.052 19221 16495 1 17 . 1 1 63 63 VAL H H 63 7.436 7.436 8.270 -0.834 19221 16496 1 17 . 1 1 64 64 ASN N N 64 116.810 116.810 115.247 1.563 19221 16497 1 17 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.514 0.267 19221 16498 1 17 . 1 1 64 64 ASN C C 64 174.101 174.101 175.128 -1.027 19221 16499 1 17 . 1 1 64 64 ASN CA C 64 52.900 52.900 53.803 -0.902 19221 16500 1 17 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.591 0.188 19221 16501 1 17 . 1 1 64 64 ASN H H 64 8.352 8.352 7.856 0.496 19221 16502 1 17 . 1 1 65 65 ASP N N 65 120.930 120.930 119.396 1.534 19221 16503 1 17 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.859 0.021 19221 16504 1 17 . 1 1 65 65 ASP C C 65 177.534 177.534 176.564 0.970 19221 16505 1 17 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.751 0.419 19221 16506 1 17 . 1 1 65 65 ASP CB C 65 43.100 43.100 42.734 0.366 19221 16507 1 17 . 1 1 65 65 ASP H H 65 7.453 7.453 7.798 -0.345 19221 16508 1 17 . 1 1 66 66 SER HA H 66 4.356 4.356 4.127 0.229 19221 16509 1 17 . 1 1 66 66 SER C C 66 176.310 176.310 175.684 0.626 19221 16510 1 17 . 1 1 66 66 SER CA C 66 61.350 61.350 61.662 -0.312 19221 16511 1 17 . 1 1 66 66 SER CB C 66 63.120 63.120 63.236 -0.116 19221 16512 1 17 . 1 1 66 66 SER H H 66 7.010 7.010 8.875 -1.865 19221 16513 1 17 . 1 1 67 67 ASN N N 67 120.050 120.050 119.306 0.744 19221 16514 1 17 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.500 0.105 19221 16515 1 17 . 1 1 67 67 ASN C C 67 176.107 176.107 176.333 -0.226 19221 16516 1 17 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.576 -0.006 19221 16517 1 17 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.856 -0.256 19221 16518 1 17 . 1 1 67 67 ASN H H 67 9.014 9.014 8.511 0.503 19221 16519 1 17 . 1 1 68 68 TYR N N 68 114.840 114.840 114.322 0.518 19221 16520 1 17 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.231 0.288 19221 16521 1 17 . 1 1 68 68 TYR C C 68 175.709 175.709 176.502 -0.793 19221 16522 1 17 . 1 1 68 68 TYR CA C 68 57.610 57.610 57.744 -0.134 19221 16523 1 17 . 1 1 68 68 TYR CB C 68 39.750 39.750 40.262 -0.512 19221 16524 1 17 . 1 1 68 68 TYR H H 68 8.276 8.276 8.288 -0.012 19221 16525 1 17 . 1 1 69 69 ASP N N 69 122.810 122.810 122.884 -0.074 19221 16526 1 17 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.268 0.184 19221 16527 1 17 . 1 1 69 69 ASP C C 69 178.371 178.371 177.263 1.108 19221 16528 1 17 . 1 1 69 69 ASP CA C 69 58.630 58.630 57.701 0.929 19221 16529 1 17 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.715 -0.085 19221 16530 1 17 . 1 1 69 69 ASP H H 69 7.806 7.806 8.694 -0.888 19221 16531 1 17 . 1 1 70 70 TRP N N 70 117.270 117.270 118.492 -1.222 19221 16532 1 17 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.478 -0.314 19221 16533 1 17 . 1 1 70 70 TRP C C 70 176.090 176.090 177.427 -1.337 19221 16534 1 17 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.022 -0.492 19221 16535 1 17 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.290 -0.740 19221 16536 1 17 . 1 1 70 70 TRP H H 70 8.172 8.172 7.408 0.764 19221 16537 1 17 . 1 1 71 71 LEU N N 71 125.263 125.263 121.791 3.472 19221 16538 1 17 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.684 -0.444 19221 16539 1 17 . 1 1 71 71 LEU C C 71 178.306 178.306 178.270 0.036 19221 16540 1 17 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.275 0.335 19221 16541 1 17 . 1 1 71 71 LEU CB C 71 41.190 41.190 41.098 0.092 19221 16542 1 17 . 1 1 71 71 LEU H H 71 6.251 6.251 6.927 -0.676 19221 16543 1 17 . 1 1 72 72 PHE N N 72 117.630 117.630 119.748 -2.118 19221 16544 1 17 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.912 -0.099 19221 16545 1 17 . 1 1 72 72 PHE C C 72 178.797 178.797 177.092 1.705 19221 16546 1 17 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.854 0.717 19221 16547 1 17 . 1 1 72 72 PHE CB C 72 38.810 38.810 39.030 -0.220 19221 16548 1 17 . 1 1 72 72 PHE H H 72 6.996 6.996 7.408 -0.412 19221 16549 1 17 . 1 1 73 73 GLN N N 73 117.950 117.950 118.007 -0.057 19221 16550 1 17 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.947 0.119 19221 16551 1 17 . 1 1 73 73 GLN C C 73 179.341 179.341 178.335 1.006 19221 16552 1 17 . 1 1 73 73 GLN CA C 73 59.090 59.090 59.227 -0.137 19221 16553 1 17 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.770 -0.520 19221 16554 1 17 . 1 1 73 73 GLN H H 73 8.415 8.415 8.603 -0.188 19221 16555 1 17 . 1 1 74 74 LEU N N 74 122.275 122.275 121.901 0.374 19221 16556 1 17 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.106 -0.036 19221 16557 1 17 . 1 1 74 74 LEU C C 74 177.889 177.889 178.156 -0.267 19221 16558 1 17 . 1 1 74 74 LEU CA C 74 58.570 58.570 58.053 0.517 19221 16559 1 17 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.844 0.335 19221 16560 1 17 . 1 1 74 74 LEU H H 74 8.365 8.365 8.081 0.284 19221 16561 1 17 . 1 1 75 75 LEU N N 75 118.123 118.123 118.545 -0.422 19221 16562 1 17 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.928 -0.201 19221 16563 1 17 . 1 1 75 75 LEU C C 75 180.172 180.172 178.393 1.779 19221 16564 1 17 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.048 0.405 19221 16565 1 17 . 1 1 75 75 LEU CB C 75 42.340 42.340 40.715 1.625 19221 16566 1 17 . 1 1 75 75 LEU H H 75 8.210 8.210 8.073 0.137 19221 16567 1 17 . 1 1 76 76 ASN N N 76 117.960 117.960 119.304 -1.344 19221 16568 1 17 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.129 0.246 19221 16569 1 17 . 1 1 76 76 ASN C C 76 176.582 176.582 177.085 -0.503 19221 16570 1 17 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.278 0.682 19221 16571 1 17 . 1 1 76 76 ASN CB C 76 38.950 38.950 38.131 0.819 19221 16572 1 17 . 1 1 76 76 ASN H H 76 8.363 8.363 8.403 -0.040 19221 16573 1 17 . 1 1 77 77 ALA N N 77 121.740 121.740 121.988 -0.248 19221 16574 1 17 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.057 0.110 19221 16575 1 17 . 1 1 77 77 ALA C C 77 179.988 179.988 180.040 -0.052 19221 16576 1 17 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.877 0.683 19221 16577 1 17 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.398 -1.068 19221 16578 1 17 . 1 1 77 77 ALA H H 77 8.385 8.385 8.135 0.250 19221 16579 1 17 . 1 1 78 78 LEU N N 78 116.550 116.550 118.487 -1.937 19221 16580 1 17 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.946 -0.293 19221 16581 1 17 . 1 1 78 78 LEU C C 78 177.576 177.576 179.917 -2.341 19221 16582 1 17 . 1 1 78 78 LEU CA C 78 58.984 58.984 58.301 0.683 19221 16583 1 17 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.919 0.091 19221 16584 1 17 . 1 1 78 78 LEU H H 78 7.965 7.965 8.127 -0.162 19221 16585 1 17 . 1 1 79 79 THR N N 79 113.220 113.220 115.506 -2.286 19221 16586 1 17 . 1 1 79 79 THR HA H 79 3.807 3.807 3.968 -0.161 19221 16587 1 17 . 1 1 79 79 THR C C 79 176.163 176.163 175.747 0.416 19221 16588 1 17 . 1 1 79 79 THR CA C 79 66.980 66.980 66.700 0.280 19221 16589 1 17 . 1 1 79 79 THR CB C 79 69.240 69.240 68.996 0.244 19221 16590 1 17 . 1 1 79 79 THR H H 79 7.565 7.565 8.072 -0.507 19221 16591 1 17 . 1 1 80 80 VAL N N 80 110.800 110.800 111.554 -0.754 19221 16592 1 17 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.611 -0.102 19221 16593 1 17 . 1 1 80 80 VAL C C 80 176.751 176.751 175.659 1.092 19221 16594 1 17 . 1 1 80 80 VAL CA C 80 60.890 60.890 60.750 0.140 19221 16595 1 17 . 1 1 80 80 VAL CB C 80 32.005 32.005 32.679 -0.674 19221 16596 1 17 . 1 1 80 80 VAL H H 80 7.792 7.792 7.289 0.503 19221 16597 1 17 . 1 1 81 81 GLY N N 81 112.910 112.910 110.160 2.750 19221 16598 1 17 . 1 1 81 81 GLY C C 81 173.874 173.874 174.250 -0.376 19221 16599 1 17 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.936 1.344 19221 16600 1 17 . 1 1 81 81 GLY H H 81 7.506 7.506 7.460 0.047 19221 16601 1 17 . 1 1 82 82 ASP N N 82 119.112 119.112 120.053 -0.941 19221 16602 1 17 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.913 -0.073 19221 16603 1 17 . 1 1 82 82 ASP C C 82 175.706 175.706 175.855 -0.149 19221 16604 1 17 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.882 0.038 19221 16605 1 17 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.970 -0.020 19221 16606 1 17 . 1 1 82 82 ASP H H 82 8.254 8.254 7.986 0.268 19221 16607 1 17 . 1 1 83 83 PHE N N 83 123.870 123.870 124.406 -0.536 19221 16608 1 17 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.205 -0.377 19221 16609 1 17 . 1 1 83 83 PHE C C 83 177.950 177.950 177.473 0.477 19221 16610 1 17 . 1 1 83 83 PHE CA C 83 62.570 62.570 62.127 0.443 19221 16611 1 17 . 1 1 83 83 PHE CB C 83 39.120 39.120 39.217 -0.097 19221 16612 1 17 . 1 1 83 83 PHE H H 83 8.025 8.025 8.230 -0.205 19221 16613 1 17 . 1 1 84 84 ASP N N 84 119.583 119.583 119.808 -0.225 19221 16614 1 17 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.489 0.033 19221 16615 1 17 . 1 1 84 84 ASP C C 84 179.005 179.005 178.739 0.266 19221 16616 1 17 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.835 -0.175 19221 16617 1 17 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.904 -0.344 19221 16618 1 17 . 1 1 84 84 ASP H H 84 8.464 8.464 8.274 0.190 19221 16619 1 17 . 1 1 85 85 LYS N N 85 122.200 122.200 119.893 2.307 19221 16620 1 17 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.122 -0.030 19221 16621 1 17 . 1 1 85 85 LYS C C 85 178.580 178.580 178.937 -0.357 19221 16622 1 17 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.926 -0.676 19221 16623 1 17 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.279 0.031 19221 16624 1 17 . 1 1 85 85 LYS H H 85 8.009 8.009 8.535 -0.526 19221 16625 1 17 . 1 1 86 86 PHE N N 86 118.590 118.590 120.877 -2.287 19221 16626 1 17 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.070 -0.234 19221 16627 1 17 . 1 1 86 86 PHE C C 86 175.649 175.649 177.019 -1.370 19221 16628 1 17 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.418 0.992 19221 16629 1 17 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.773 1.307 19221 16630 1 17 . 1 1 86 86 PHE H H 86 8.331 8.331 8.729 -0.398 19221 16631 1 17 . 1 1 87 87 ASP N N 87 117.790 117.790 118.618 -0.828 19221 16632 1 17 . 1 1 87 87 ASP HA H 87 4.198 4.198 3.995 0.203 19221 16633 1 17 . 1 1 87 87 ASP C C 87 178.542 178.542 178.469 0.073 19221 16634 1 17 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.198 0.642 19221 16635 1 17 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.750 1.140 19221 16636 1 17 . 1 1 87 87 ASP H H 87 8.560 8.560 8.583 -0.023 19221 16637 1 17 . 1 1 88 88 SER N N 88 112.940 112.940 116.363 -3.423 19221 16638 1 17 . 1 1 88 88 SER HA H 88 4.153 4.153 4.165 -0.012 19221 16639 1 17 . 1 1 88 88 SER C C 88 176.823 176.823 176.081 0.742 19221 16640 1 17 . 1 1 88 88 SER CA C 88 61.590 61.590 62.320 -0.730 19221 16641 1 17 . 1 1 88 88 SER CB C 88 63.085 63.085 63.300 -0.215 19221 16642 1 17 . 1 1 88 88 SER H H 88 7.757 7.757 8.100 -0.343 19221 16643 1 17 . 1 1 89 89 LEU N N 89 121.710 121.710 119.535 2.175 19221 16644 1 17 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.131 0.037 19221 16645 1 17 . 1 1 89 89 LEU C C 89 180.006 180.006 178.238 1.768 19221 16646 1 17 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.142 0.688 19221 16647 1 17 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.114 1.266 19221 16648 1 17 . 1 1 89 89 LEU H H 89 8.173 8.173 7.777 0.396 19221 16649 1 17 . 1 1 90 90 ILE N N 90 119.830 119.830 120.951 -1.121 19221 16650 1 17 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.559 -0.014 19221 16651 1 17 . 1 1 90 90 ILE C C 90 177.083 177.083 177.288 -0.205 19221 16652 1 17 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.549 -1.639 19221 16653 1 17 . 1 1 90 90 ILE CB C 90 36.080 36.080 37.647 -1.567 19221 16654 1 17 . 1 1 90 90 ILE H H 90 8.424 8.424 7.519 0.905 19221 16655 1 17 . 1 1 91 91 LYS N N 91 117.980 117.980 118.134 -0.154 19221 16656 1 17 . 1 1 91 91 LYS HA H 91 3.901 3.901 4.053 -0.152 19221 16657 1 17 . 1 1 91 91 LYS C C 91 178.803 178.803 176.183 2.620 19221 16658 1 17 . 1 1 91 91 LYS CA C 91 59.510 59.510 58.492 1.018 19221 16659 1 17 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.605 0.155 19221 16660 1 17 . 1 1 91 91 LYS H H 91 7.569 7.569 8.044 -0.475 19221 16661 1 17 . 1 1 92 92 VAL N N 92 115.450 115.450 117.808 -2.358 19221 16662 1 17 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.115 -0.187 19221 16663 1 17 . 1 1 92 92 VAL C C 92 177.767 177.767 177.257 0.510 19221 16664 1 17 . 1 1 92 92 VAL CA C 92 64.550 64.550 63.784 0.766 19221 16665 1 17 . 1 1 92 92 VAL CB C 92 32.790 32.790 33.482 -0.692 19221 16666 1 17 . 1 1 92 92 VAL H H 92 7.432 7.432 7.296 0.136 19221 16667 1 17 . 1 1 93 93 GLN N N 93 117.250 117.250 119.852 -2.602 19221 16668 1 17 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.866 0.131 19221 16669 1 17 . 1 1 93 93 GLN C C 93 178.756 178.756 178.842 -0.086 19221 16670 1 17 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.407 -0.847 19221 16671 1 17 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.580 0.090 19221 16672 1 17 . 1 1 93 93 GLN H H 93 8.127 8.127 7.894 0.233 19221 16673 1 17 . 1 1 94 94 ILE N N 94 118.013 118.013 118.865 -0.852 19221 16674 1 17 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.749 -0.109 19221 16675 1 17 . 1 1 94 94 ILE C C 94 176.252 176.252 178.782 -2.530 19221 16676 1 17 . 1 1 94 94 ILE CA C 94 64.980 64.980 64.959 0.021 19221 16677 1 17 . 1 1 94 94 ILE CB C 94 37.130 37.130 37.361 -0.231 19221 16678 1 17 . 1 1 94 94 ILE H H 94 8.390 8.390 7.782 0.608 19221 16679 1 17 . 1 1 95 95 SER N N 95 112.220 112.220 115.834 -3.614 19221 16680 1 17 . 1 1 95 95 SER HA H 95 4.158 4.158 4.188 -0.030 19221 16681 1 17 . 1 1 95 95 SER C C 95 174.893 174.893 175.605 -0.712 19221 16682 1 17 . 1 1 95 95 SER CA C 95 59.890 59.890 61.164 -1.274 19221 16683 1 17 . 1 1 95 95 SER CB C 95 63.170 63.170 62.875 0.295 19221 16684 1 17 . 1 1 95 95 SER H H 95 7.227 7.227 7.962 -0.735 19221 16685 1 17 . 1 1 96 96 LYS N N 96 119.000 119.000 118.123 0.877 19221 16686 1 17 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.247 0.078 19221 16687 1 17 . 1 1 96 96 LYS C C 96 175.903 175.903 176.071 -0.168 19221 16688 1 17 . 1 1 96 96 LYS CA C 96 56.600 56.600 56.660 -0.060 19221 16689 1 17 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.269 0.671 19221 16690 1 17 . 1 1 96 96 LYS H H 96 7.250 7.250 7.513 -0.263 19221 16691 1 17 . 1 1 97 97 ILE N N 97 120.530 120.530 121.447 -0.917 19221 16692 1 17 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.566 0.033 19221 16693 1 17 . 1 1 97 97 ILE C C 97 173.784 173.784 174.239 -0.455 19221 16694 1 17 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.913 -0.501 19221 16695 1 17 . 1 1 97 97 ILE CB C 97 37.560 37.560 39.881 -2.321 19221 16696 1 17 . 1 1 97 97 ILE H H 97 7.713 7.713 7.464 0.249 19221 16697 1 17 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.249 0.044 19221 16698 1 17 . 1 1 98 98 PRO C C 98 178.885 178.885 178.306 0.579 19221 16699 1 17 . 1 1 98 98 PRO CA C 98 66.320 66.320 66.081 0.239 19221 16700 1 17 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.094 0.176 19221 16701 1 17 . 1 1 99 99 ILE N N 99 115.600 115.600 118.578 -2.978 19221 16702 1 17 . 1 1 99 99 ILE HA H 99 4.292 4.292 4.134 0.158 19221 16703 1 17 . 1 1 99 99 ILE C C 99 177.025 177.025 177.629 -0.604 19221 16704 1 17 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.338 -0.558 19221 16705 1 17 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.949 0.131 19221 16706 1 17 . 1 1 99 99 ILE H H 99 8.552 8.552 8.272 0.280 19221 16707 1 17 . 1 1 100 100 LEU N N 100 119.430 119.430 119.867 -0.437 19221 16708 1 17 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.060 0.163 19221 16709 1 17 . 1 1 100 100 LEU C C 100 178.223 178.223 178.273 -0.050 19221 16710 1 17 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.697 -0.587 19221 16711 1 17 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.328 0.892 19221 16712 1 17 . 1 1 100 100 LEU H H 100 7.404 7.404 7.947 -0.543 19221 16713 1 17 . 1 1 101 101 ALA N N 101 121.390 121.390 120.053 1.337 19221 16714 1 17 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.988 -0.071 19221 16715 1 17 . 1 1 101 101 ALA C C 101 181.827 181.827 180.333 1.494 19221 16716 1 17 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.721 0.689 19221 16717 1 17 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.521 -0.571 19221 16718 1 17 . 1 1 101 101 ALA H H 101 7.839 7.839 7.939 -0.100 19221 16719 1 17 . 1 1 102 102 GLN N N 102 115.470 115.470 117.823 -2.353 19221 16720 1 17 . 1 1 102 102 GLN HA H 102 4.077 4.077 3.992 0.085 19221 16721 1 17 . 1 1 102 102 GLN C C 102 176.572 176.572 177.723 -1.151 19221 16722 1 17 . 1 1 102 102 GLN CA C 102 57.580 57.580 58.448 -0.868 19221 16723 1 17 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.060 -0.430 19221 16724 1 17 . 1 1 102 102 GLN H H 102 8.276 8.276 8.130 0.146 19221 16725 1 17 . 1 1 103 103 HIS N N 103 115.980 115.980 115.038 0.942 19221 16726 1 17 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.945 0.179 19221 16727 1 17 . 1 1 103 103 HIS C C 103 175.326 175.326 175.127 0.199 19221 16728 1 17 . 1 1 103 103 HIS CA C 103 56.350 56.350 55.320 1.030 19221 16729 1 17 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.379 1.611 19221 16730 1 17 . 1 1 103 103 HIS H H 103 7.450 7.450 7.782 -0.332 19221 16731 1 17 . 1 1 104 104 GLU N N 104 122.920 122.920 122.522 0.398 19221 16732 1 17 . 1 1 104 104 GLU HA H 104 3.813 3.813 4.015 -0.202 19221 16733 1 17 . 1 1 104 104 GLU C C 104 177.960 177.960 178.200 -0.240 19221 16734 1 17 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.592 0.918 19221 16735 1 17 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.669 -0.169 19221 16736 1 17 . 1 1 104 104 GLU H H 104 7.332 7.332 7.739 -0.407 19221 16737 1 17 . 1 1 105 105 SER N N 105 113.180 113.180 114.210 -1.030 19221 16738 1 17 . 1 1 105 105 SER HA H 105 4.234 4.234 4.291 -0.057 19221 16739 1 17 . 1 1 105 105 SER C C 105 177.512 177.512 176.410 1.102 19221 16740 1 17 . 1 1 105 105 SER CA C 105 62.100 62.100 62.083 0.017 19221 16741 1 17 . 1 1 105 105 SER CB C 105 62.100 62.100 62.789 -0.690 19221 16742 1 17 . 1 1 105 105 SER H H 105 8.931 8.931 8.928 0.003 19221 16743 1 17 . 1 1 106 106 PHE N N 106 123.770 123.770 124.466 -0.696 19221 16744 1 17 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.430 -0.003 19221 16745 1 17 . 1 1 106 106 PHE C C 106 178.007 178.007 177.197 0.810 19221 16746 1 17 . 1 1 106 106 PHE CA C 106 61.390 61.390 60.902 0.488 19221 16747 1 17 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.258 -0.128 19221 16748 1 17 . 1 1 106 106 PHE H H 106 8.040 8.040 7.400 0.640 19221 16749 1 17 . 1 1 107 107 LEU N N 107 121.397 121.397 120.552 0.845 19221 16750 1 17 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.741 0.265 19221 16751 1 17 . 1 1 107 107 LEU C C 107 178.165 178.165 178.959 -0.794 19221 16752 1 17 . 1 1 107 107 LEU CA C 107 58.280 58.280 57.833 0.447 19221 16753 1 17 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.433 0.736 19221 16754 1 17 . 1 1 107 107 LEU H H 107 8.481 8.481 8.984 -0.503 19221 16755 1 17 . 1 1 108 108 ARG N N 108 117.450 117.450 120.046 -2.596 19221 16756 1 17 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.844 0.295 19221 16757 1 17 . 1 1 108 108 ARG C C 108 178.343 178.343 178.537 -0.194 19221 16758 1 17 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.306 -0.726 19221 16759 1 17 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.307 -1.137 19221 16760 1 17 . 1 1 108 108 ARG H H 108 8.480 8.480 8.700 -0.220 19221 16761 1 17 . 1 1 109 109 GLN N N 109 119.098 119.098 118.432 0.666 19221 16762 1 17 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.011 0.064 19221 16763 1 17 . 1 1 109 109 GLN CA C 109 59.295 59.295 58.895 0.400 19221 16764 1 17 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.462 1.046 19221 16765 1 17 . 1 1 109 109 GLN H H 109 7.886 7.886 8.023 -0.137 19221 16766 1 17 . 1 1 110 110 LYS N N 110 121.110 121.110 120.633 0.477 19221 16767 1 17 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.895 0.093 19221 16768 1 17 . 1 1 110 110 LYS C C 110 178.368 178.368 178.791 -0.423 19221 16769 1 17 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.253 3.297 19221 16770 1 17 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.776 -1.516 19221 16771 1 17 . 1 1 110 110 LYS H H 110 8.356 8.356 7.702 0.654 19221 16772 1 17 . 1 1 111 111 ILE N N 111 116.870 116.870 121.266 -4.396 19221 16773 1 17 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.570 0.328 19221 16774 1 17 . 1 1 111 111 ILE C C 111 178.036 178.036 177.643 0.393 19221 16775 1 17 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.480 0.621 19221 16776 1 17 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.345 -0.430 19221 16777 1 17 . 1 1 111 111 ILE H H 111 7.848 7.848 8.244 -0.396 19221 16778 1 17 . 1 1 112 112 CYS N N 112 123.990 123.990 118.930 5.060 19221 16779 1 17 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.170 -0.089 19221 16780 1 17 . 1 1 112 112 CYS C C 112 176.276 176.276 176.877 -0.601 19221 16781 1 17 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.530 0.870 19221 16782 1 17 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.008 0.362 19221 16783 1 17 . 1 1 112 112 CYS H H 112 7.473 7.473 7.795 -0.322 19221 16784 1 17 . 1 1 113 113 LEU N N 113 120.218 120.218 120.916 -0.698 19221 16785 1 17 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.744 0.099 19221 16786 1 17 . 1 1 113 113 LEU C C 113 178.584 178.584 178.768 -0.184 19221 16787 1 17 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.399 0.121 19221 16788 1 17 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.751 0.799 19221 16789 1 17 . 1 1 113 113 LEU H H 113 8.443 8.443 8.480 -0.037 19221 16790 1 17 . 1 1 114 114 MET N N 114 116.910 116.910 117.708 -0.798 19221 16791 1 17 . 1 1 114 114 MET HA H 114 3.952 3.952 4.200 -0.248 19221 16792 1 17 . 1 1 114 114 MET C C 114 178.724 178.724 178.175 0.549 19221 16793 1 17 . 1 1 114 114 MET CA C 114 60.070 60.070 59.147 0.923 19221 16794 1 17 . 1 1 114 114 MET CB C 114 32.910 32.910 32.553 0.357 19221 16795 1 17 . 1 1 114 114 MET H H 114 8.840 8.840 8.208 0.632 19221 16796 1 17 . 1 1 115 115 THR N N 115 115.670 115.670 117.573 -1.903 19221 16797 1 17 . 1 1 115 115 THR HA H 115 4.083 4.083 4.017 0.066 19221 16798 1 17 . 1 1 115 115 THR C C 115 177.434 177.434 176.532 0.902 19221 16799 1 17 . 1 1 115 115 THR CA C 115 66.740 66.740 67.944 -1.204 19221 16800 1 17 . 1 1 115 115 THR CB C 115 68.630 68.630 68.498 0.132 19221 16801 1 17 . 1 1 115 115 THR H H 115 8.095 8.095 8.526 -0.431 19221 16802 1 17 . 1 1 116 116 LEU N N 116 125.420 125.420 122.705 2.715 19221 16803 1 17 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.120 -0.265 19221 16804 1 17 . 1 1 116 116 LEU C C 116 176.903 176.903 178.062 -1.159 19221 16805 1 17 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.324 0.612 19221 16806 1 17 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.879 -0.203 19221 16807 1 17 . 1 1 116 116 LEU H H 116 8.164 8.164 7.785 0.379 19221 16808 1 17 . 1 1 117 117 ILE N N 117 114.740 114.740 119.517 -4.777 19221 16809 1 17 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.468 0.151 19221 16810 1 17 . 1 1 117 117 ILE C C 117 177.806 177.806 177.819 -0.013 19221 16811 1 17 . 1 1 117 117 ILE CA C 117 64.590 64.590 66.026 -1.436 19221 16812 1 17 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.565 -1.205 19221 16813 1 17 . 1 1 117 117 ILE H H 117 8.032 8.032 8.355 -0.323 19221 16814 1 17 . 1 1 118 118 GLU N N 118 121.200 121.200 120.552 0.648 19221 16815 1 17 . 1 1 118 118 GLU HA H 118 4.200 4.200 3.916 0.284 19221 16816 1 17 . 1 1 118 118 GLU C C 118 178.314 178.314 178.790 -0.476 19221 16817 1 17 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.211 -0.231 19221 16818 1 17 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.610 -0.230 19221 16819 1 17 . 1 1 118 118 GLU H H 118 8.176 8.176 8.576 -0.400 19221 16820 1 17 . 1 1 119 119 THR N N 119 114.460 114.460 116.762 -2.302 19221 16821 1 17 . 1 1 119 119 THR HA H 119 3.917 3.917 4.009 -0.092 19221 16822 1 17 . 1 1 119 119 THR C C 119 175.551 175.551 177.101 -1.550 19221 16823 1 17 . 1 1 119 119 THR CA C 119 67.470 67.470 67.117 0.353 19221 16824 1 17 . 1 1 119 119 THR CB C 119 69.110 69.110 68.702 0.408 19221 16825 1 17 . 1 1 119 119 THR H H 119 8.008 8.008 8.150 -0.142 19221 16826 1 17 . 1 1 120 120 VAL N N 120 118.050 118.050 120.850 -2.800 19221 16827 1 17 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.739 -0.119 19221 16828 1 17 . 1 1 120 120 VAL C C 120 178.213 178.213 178.098 0.115 19221 16829 1 17 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.094 -0.074 19221 16830 1 17 . 1 1 120 120 VAL CB C 120 31.830 31.830 30.939 0.891 19221 16831 1 17 . 1 1 120 120 VAL H H 120 7.800 7.800 8.361 -0.561 19221 16832 1 17 . 1 1 121 121 PHE N N 121 118.360 118.360 121.522 -3.162 19221 16833 1 17 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.141 0.079 19221 16834 1 17 . 1 1 121 121 PHE C C 121 178.739 178.739 177.965 0.774 19221 16835 1 17 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.749 -0.209 19221 16836 1 17 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.237 0.893 19221 16837 1 17 . 1 1 121 121 PHE H H 121 8.370 8.370 8.176 0.194 19221 16838 1 17 . 1 1 122 122 VAL N N 122 118.710 118.710 116.140 2.570 19221 16839 1 17 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.580 0.045 19221 16840 1 17 . 1 1 122 122 VAL C C 122 178.247 178.247 177.346 0.901 19221 16841 1 17 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.590 0.260 19221 16842 1 17 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.759 0.122 19221 16843 1 17 . 1 1 122 122 VAL H H 122 8.959 8.959 8.847 0.112 19221 16844 1 17 . 1 1 123 123 LYS N N 123 115.960 115.960 117.537 -1.577 19221 16845 1 17 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.237 0.079 19221 16846 1 17 . 1 1 123 123 LYS C C 123 176.148 176.148 175.874 0.274 19221 16847 1 17 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.923 0.607 19221 16848 1 17 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.014 0.015 19221 16849 1 17 . 1 1 123 123 LYS H H 123 7.688 7.688 7.904 -0.216 19221 16850 1 17 . 1 1 124 124 ASN N N 124 117.440 117.440 116.574 0.866 19221 16851 1 17 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.346 -0.002 19221 16852 1 17 . 1 1 124 124 ASN C C 124 174.205 174.205 174.562 -0.357 19221 16853 1 17 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.762 0.158 19221 16854 1 17 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.483 -0.413 19221 16855 1 17 . 1 1 124 124 ASN H H 124 7.560 7.560 7.603 -0.043 19221 16856 1 17 . 1 1 125 125 ILE N N 125 116.780 116.780 117.870 -1.090 19221 16857 1 17 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.006 0.104 19221 16858 1 17 . 1 1 125 125 ILE C C 125 175.909 175.909 175.449 0.460 19221 16859 1 17 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.156 -0.586 19221 16860 1 17 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.188 1.782 19221 16861 1 17 . 1 1 125 125 ILE H H 125 7.658 7.658 7.538 0.120 19221 16862 1 17 . 1 1 126 126 ARG N N 126 122.400 122.400 121.780 0.620 19221 16863 1 17 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.521 0.110 19221 16864 1 17 . 1 1 126 126 ARG C C 126 175.296 175.296 175.346 -0.050 19221 16865 1 17 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.427 -0.217 19221 16866 1 17 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.742 -0.525 19221 16867 1 17 . 1 1 126 126 ARG H H 126 8.658 8.658 8.589 0.069 19221 16868 1 17 . 1 1 127 127 MET N N 127 119.870 119.870 119.767 0.103 19221 16869 1 17 . 1 1 127 127 MET HA H 127 5.412 5.412 5.244 0.168 19221 16870 1 17 . 1 1 127 127 MET C C 127 174.169 174.169 173.961 0.208 19221 16871 1 17 . 1 1 127 127 MET CA C 127 55.130 55.130 54.389 0.742 19221 16872 1 17 . 1 1 127 127 MET CB C 127 35.300 35.300 35.627 -0.327 19221 16873 1 17 . 1 1 127 127 MET H H 127 7.487 7.487 7.727 -0.240 19221 16874 1 17 . 1 1 128 128 LEU N N 128 124.940 124.940 125.354 -0.414 19221 16875 1 17 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.950 -0.060 19221 16876 1 17 . 1 1 128 128 LEU C C 128 174.857 174.857 174.837 0.020 19221 16877 1 17 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.733 0.436 19221 16878 1 17 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.244 -1.154 19221 16879 1 17 . 1 1 128 128 LEU H H 128 8.961 8.961 8.892 0.069 19221 16880 1 17 . 1 1 129 129 SER N N 129 119.080 119.080 115.679 3.401 19221 16881 1 17 . 1 1 129 129 SER HA H 129 5.503 5.503 5.134 0.369 19221 16882 1 17 . 1 1 129 129 SER C C 129 176.225 176.225 175.686 0.539 19221 16883 1 17 . 1 1 129 129 SER CA C 129 56.630 56.630 57.216 -0.586 19221 16884 1 17 . 1 1 129 129 SER CB C 129 66.030 66.030 64.909 1.121 19221 16885 1 17 . 1 1 129 129 SER H H 129 9.512 9.512 8.340 1.172 19221 16886 1 17 . 1 1 130 130 PHE N N 130 120.530 120.530 123.281 -2.751 19221 16887 1 17 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.129 0.311 19221 16888 1 17 . 1 1 130 130 PHE C C 130 179.046 179.046 177.581 1.465 19221 16889 1 17 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.917 -1.187 19221 16890 1 17 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.103 -1.583 19221 16891 1 17 . 1 1 130 130 PHE H H 130 8.712 8.712 9.278 -0.566 19221 16892 1 17 . 1 1 131 131 GLU N N 131 121.180 121.180 120.420 0.760 19221 16893 1 17 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.788 0.237 19221 16894 1 17 . 1 1 131 131 GLU C C 131 178.039 178.039 178.162 -0.123 19221 16895 1 17 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.529 -0.659 19221 16896 1 17 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.377 0.093 19221 16897 1 17 . 1 1 131 131 GLU H H 131 8.961 8.961 8.717 0.244 19221 16898 1 17 . 1 1 132 132 ASP N N 132 120.930 120.930 119.104 1.826 19221 16899 1 17 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.464 -0.067 19221 16900 1 17 . 1 1 132 132 ASP C C 132 180.369 180.369 178.654 1.715 19221 16901 1 17 . 1 1 132 132 ASP CA C 132 57.690 57.690 56.735 0.955 19221 16902 1 17 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.565 0.175 19221 16903 1 17 . 1 1 132 132 ASP H H 132 8.369 8.369 7.671 0.698 19221 16904 1 17 . 1 1 133 133 ILE N N 133 120.360 120.360 120.312 0.048 19221 16905 1 17 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.555 -0.046 19221 16906 1 17 . 1 1 133 133 ILE C C 133 178.895 178.895 178.041 0.854 19221 16907 1 17 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.901 0.379 19221 16908 1 17 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.768 -0.238 19221 16909 1 17 . 1 1 133 133 ILE H H 133 8.062 8.062 8.385 -0.323 19221 16910 1 17 . 1 1 134 134 SER N N 134 120.050 120.050 116.828 3.222 19221 16911 1 17 . 1 1 134 134 SER HA H 134 4.074 4.074 4.201 -0.127 19221 16912 1 17 . 1 1 134 134 SER C C 134 176.934 176.934 176.161 0.773 19221 16913 1 17 . 1 1 134 134 SER CA C 134 61.240 61.240 61.570 -0.330 19221 16914 1 17 . 1 1 134 134 SER CB C 134 63.400 63.400 62.923 0.477 19221 16915 1 17 . 1 1 134 134 SER H H 134 8.823 8.823 8.380 0.443 19221 16916 1 17 . 1 1 135 135 LYS N N 135 119.060 119.060 121.043 -1.983 19221 16917 1 17 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.862 0.068 19221 16918 1 17 . 1 1 135 135 LYS C C 135 178.986 178.986 178.368 0.618 19221 16919 1 17 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.907 0.363 19221 16920 1 17 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.374 0.096 19221 16921 1 17 . 1 1 135 135 LYS H H 135 8.258 8.258 7.945 0.313 19221 16922 1 17 . 1 1 136 136 ALA N N 136 118.350 118.350 118.703 -0.353 19221 16923 1 17 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.039 0.163 19221 16924 1 17 . 1 1 136 136 ALA C C 136 178.653 178.653 177.548 1.105 19221 16925 1 17 . 1 1 136 136 ALA CA C 136 54.480 54.480 53.544 0.936 19221 16926 1 17 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.005 -0.164 19221 16927 1 17 . 1 1 136 136 ALA H H 136 7.538 7.538 7.905 -0.367 19221 16928 1 17 . 1 1 137 137 THR N N 137 101.770 101.770 108.504 -6.734 19221 16929 1 17 . 1 1 137 137 THR HA H 137 4.274 4.274 4.318 -0.044 19221 16930 1 17 . 1 1 137 137 THR C C 137 172.932 172.932 174.261 -1.329 19221 16931 1 17 . 1 1 137 137 THR CA C 137 61.990 61.990 61.790 0.200 19221 16932 1 17 . 1 1 137 137 THR CB C 137 71.200 71.200 71.424 -0.224 19221 16933 1 17 . 1 1 137 137 THR H H 137 7.777 7.777 7.188 0.589 19221 16934 1 17 . 1 1 138 138 HIS N N 138 113.660 113.660 116.762 -3.102 19221 16935 1 17 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.159 -0.200 19221 16936 1 17 . 1 1 138 138 HIS C C 138 173.700 173.700 173.354 0.346 19221 16937 1 17 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.437 -1.107 19221 16938 1 17 . 1 1 138 138 HIS CB C 138 25.410 25.410 26.335 -0.925 19221 16939 1 17 . 1 1 138 138 HIS H H 138 7.567 7.567 8.156 -0.589 19221 16940 1 17 . 1 1 139 139 LEU N N 139 120.070 120.070 120.659 -0.589 19221 16941 1 17 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.838 0.005 19221 16942 1 17 . 1 1 139 139 LEU C C 139 174.376 174.376 175.377 -1.001 19221 16943 1 17 . 1 1 139 139 LEU CA C 139 51.870 51.870 51.720 0.150 19221 16944 1 17 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.907 1.843 19221 16945 1 17 . 1 1 139 139 LEU H H 139 7.513 7.513 7.405 0.108 19221 16946 1 17 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.642 -0.251 19221 16947 1 17 . 1 1 140 140 PRO C C 140 177.985 177.985 178.301 -0.316 19221 16948 1 17 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.370 0.021 19221 16949 1 17 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.496 -0.426 19221 16950 1 17 . 1 1 141 141 LYS N N 141 123.930 123.930 120.922 3.008 19221 16951 1 17 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.869 -0.050 19221 16952 1 17 . 1 1 141 141 LYS C C 141 178.083 178.083 178.159 -0.076 19221 16953 1 17 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.004 0.826 19221 16954 1 17 . 1 1 141 141 LYS CB C 141 31.890 31.890 31.924 -0.034 19221 16955 1 17 . 1 1 141 141 LYS H H 141 8.950 8.950 8.802 0.148 19221 16956 1 17 . 1 1 142 142 ASP N N 142 114.510 114.510 115.000 -0.490 19221 16957 1 17 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.445 0.050 19221 16958 1 17 . 1 1 142 142 ASP C C 142 176.656 176.656 176.958 -0.302 19221 16959 1 17 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.265 -0.675 19221 16960 1 17 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.821 -1.081 19221 16961 1 17 . 1 1 142 142 ASP H H 142 8.491 8.491 8.590 -0.099 19221 16962 1 17 . 1 1 143 143 ASN N N 143 116.400 116.400 114.342 2.058 19221 16963 1 17 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.920 0.146 19221 16964 1 17 . 1 1 143 143 ASN C C 143 175.954 175.954 176.166 -0.212 19221 16965 1 17 . 1 1 143 143 ASN CA C 143 53.220 53.220 52.834 0.386 19221 16966 1 17 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.135 0.815 19221 16967 1 17 . 1 1 143 143 ASN H H 143 8.191 8.191 7.855 0.336 19221 16968 1 17 . 1 1 144 144 VAL N N 144 120.490 120.490 121.546 -1.056 19221 16969 1 17 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.414 -0.091 19221 16970 1 17 . 1 1 144 144 VAL C C 144 176.423 176.423 176.511 -0.088 19221 16971 1 17 . 1 1 144 144 VAL CA C 144 66.990 66.990 67.015 -0.025 19221 16972 1 17 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.586 -0.146 19221 16973 1 17 . 1 1 144 144 VAL H H 144 7.472 7.472 7.824 -0.352 19221 16974 1 17 . 1 1 145 145 GLU N N 145 122.340 122.340 118.733 3.607 19221 16975 1 17 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.523 -0.262 19221 16976 1 17 . 1 1 145 145 GLU C C 145 177.853 177.853 178.078 -0.225 19221 16977 1 17 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.618 1.212 19221 16978 1 17 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.688 0.122 19221 16979 1 17 . 1 1 145 145 GLU H H 145 9.141 9.141 7.749 1.392 19221 16980 1 17 . 1 1 146 146 HIS N N 146 116.970 116.970 119.424 -2.454 19221 16981 1 17 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.349 -0.175 19221 16982 1 17 . 1 1 146 146 HIS C C 146 177.947 177.947 177.775 0.172 19221 16983 1 17 . 1 1 146 146 HIS CA C 146 59.540 59.540 58.150 1.390 19221 16984 1 17 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.352 1.098 19221 16985 1 17 . 1 1 146 146 HIS H H 146 8.162 8.162 7.533 0.629 19221 16986 1 17 . 1 1 147 147 LEU N N 147 120.670 120.670 120.929 -0.259 19221 16987 1 17 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.054 -0.094 19221 16988 1 17 . 1 1 147 147 LEU C C 147 178.427 178.427 178.804 -0.377 19221 16989 1 17 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.253 0.017 19221 16990 1 17 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.504 0.232 19221 16991 1 17 . 1 1 147 147 LEU H H 147 7.336 7.336 7.959 -0.623 19221 16992 1 17 . 1 1 148 148 VAL N N 148 118.060 118.060 115.446 2.614 19221 16993 1 17 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.673 -0.450 19221 16994 1 17 . 1 1 148 148 VAL C C 148 177.801 177.801 177.884 -0.083 19221 16995 1 17 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.806 1.155 19221 16996 1 17 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.349 -0.339 19221 16997 1 17 . 1 1 148 148 VAL H H 148 8.172 8.172 7.648 0.524 19221 16998 1 17 . 1 1 149 149 MET N N 149 117.770 117.770 118.241 -0.471 19221 16999 1 17 . 1 1 149 149 MET HA H 149 4.123 4.123 4.221 -0.098 19221 17000 1 17 . 1 1 149 149 MET C C 149 179.823 179.823 178.030 1.793 19221 17001 1 17 . 1 1 149 149 MET CA C 149 58.630 58.630 58.856 -0.226 19221 17002 1 17 . 1 1 149 149 MET CB C 149 31.496 31.496 32.072 -0.576 19221 17003 1 17 . 1 1 149 149 MET H H 149 8.585 8.585 8.423 0.162 19221 17004 1 17 . 1 1 150 150 ARG N N 150 121.900 121.900 120.295 1.605 19221 17005 1 17 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.021 0.073 19221 17006 1 17 . 1 1 150 150 ARG C C 150 177.928 177.928 178.188 -0.260 19221 17007 1 17 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.291 -1.141 19221 17008 1 17 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.500 -0.750 19221 17009 1 17 . 1 1 150 150 ARG H H 150 8.160 8.160 8.201 -0.041 19221 17010 1 17 . 1 1 151 151 ALA N N 151 121.710 121.710 121.424 0.286 19221 17011 1 17 . 1 1 151 151 ALA HA H 151 3.798 3.798 4.082 -0.284 19221 17012 1 17 . 1 1 151 151 ALA C C 151 179.518 179.518 179.945 -0.427 19221 17013 1 17 . 1 1 151 151 ALA CA C 151 55.740 55.740 54.892 0.848 19221 17014 1 17 . 1 1 151 151 ALA CB C 151 17.890 17.890 17.964 -0.074 19221 17015 1 17 . 1 1 151 151 ALA H H 151 8.165 8.165 7.486 0.679 19221 17016 1 17 . 1 1 152 152 ILE N N 152 118.590 118.590 118.444 0.146 19221 17017 1 17 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.746 0.636 19221 17018 1 17 . 1 1 152 152 ILE C C 152 181.439 181.439 179.285 2.154 19221 17019 1 17 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.706 -0.146 19221 17020 1 17 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.917 0.783 19221 17021 1 17 . 1 1 152 152 ILE H H 152 8.331 8.331 7.589 0.742 19221 17022 1 17 . 1 1 153 153 SER N N 153 120.250 120.250 116.420 3.830 19221 17023 1 17 . 1 1 153 153 SER HA H 153 4.279 4.279 4.186 0.093 19221 17024 1 17 . 1 1 153 153 SER C C 153 176.745 176.745 176.372 0.373 19221 17025 1 17 . 1 1 153 153 SER CA C 153 62.040 62.040 60.998 1.042 19221 17026 1 17 . 1 1 153 153 SER CB C 153 62.930 62.930 63.260 -0.330 19221 17027 1 17 . 1 1 153 153 SER H H 153 8.756 8.756 8.151 0.605 19221 17028 1 17 . 1 1 154 154 LEU N N 154 119.480 119.480 118.415 1.065 19221 17029 1 17 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.134 0.211 19221 17030 1 17 . 1 1 154 154 LEU C C 154 177.351 177.351 177.238 0.113 19221 17031 1 17 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.541 -0.086 19221 17032 1 17 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.964 2.036 19221 17033 1 17 . 1 1 154 154 LEU H H 154 8.129 8.129 7.925 0.204 19221 17034 1 17 . 1 1 155 155 GLY N N 155 106.990 106.990 106.148 0.842 19221 17035 1 17 . 1 1 155 155 GLY C C 155 174.867 174.867 175.328 -0.461 19221 17036 1 17 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.114 -0.314 19221 17037 1 17 . 1 1 155 155 GLY H H 155 8.023 8.023 7.656 0.367 19221 17038 1 17 . 1 1 156 156 LEU N N 156 116.510 116.510 117.369 -0.859 19221 17039 1 17 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.170 0.090 19221 17040 1 17 . 1 1 156 156 LEU C C 156 175.387 175.387 176.256 -0.869 19221 17041 1 17 . 1 1 156 156 LEU CA C 156 55.930 55.930 55.687 0.243 19221 17042 1 17 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.177 1.043 19221 17043 1 17 . 1 1 156 156 LEU H H 156 8.101 8.101 7.602 0.499 19221 17044 1 17 . 1 1 157 157 LEU N N 157 112.790 112.790 111.219 1.571 19221 17045 1 17 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.080 -0.080 19221 17046 1 17 . 1 1 157 157 LEU C C 157 175.382 175.382 175.248 0.134 19221 17047 1 17 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.219 0.420 19221 17048 1 17 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.600 0.960 19221 17049 1 17 . 1 1 157 157 LEU H H 157 7.194 7.194 7.312 -0.118 19221 17050 1 17 . 1 1 158 158 LYS N N 158 121.010 121.010 121.031 -0.021 19221 17051 1 17 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.780 0.015 19221 17052 1 17 . 1 1 158 158 LYS C C 158 175.461 175.461 175.466 -0.005 19221 17053 1 17 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.541 0.520 19221 17054 1 17 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.972 2.218 19221 17055 1 17 . 1 1 158 158 LYS H H 158 9.056 9.056 8.972 0.084 19221 17056 1 17 . 1 1 159 159 GLY N N 159 109.800 109.800 111.290 -1.490 19221 17057 1 17 . 1 1 159 159 GLY C C 159 170.992 170.992 172.958 -1.966 19221 17058 1 17 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.369 0.771 19221 17059 1 17 . 1 1 159 159 GLY H H 159 8.287 8.287 8.103 0.184 19221 17060 1 17 . 1 1 160 160 SER N N 160 112.940 112.940 114.764 -1.824 19221 17061 1 17 . 1 1 160 160 SER HA H 160 4.780 4.780 4.752 0.028 19221 17062 1 17 . 1 1 160 160 SER C C 160 172.525 172.525 173.214 -0.689 19221 17063 1 17 . 1 1 160 160 SER CA C 160 56.840 56.840 57.495 -0.655 19221 17064 1 17 . 1 1 160 160 SER CB C 160 65.660 65.660 66.073 -0.413 19221 17065 1 17 . 1 1 160 160 SER H H 160 8.847 8.847 8.830 0.017 19221 17066 1 17 . 1 1 161 161 ILE N N 161 123.020 123.020 123.615 -0.595 19221 17067 1 17 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.314 0.092 19221 17068 1 17 . 1 1 161 161 ILE C C 161 174.457 174.457 176.004 -1.547 19221 17069 1 17 . 1 1 161 161 ILE CA C 161 61.419 61.419 60.868 0.551 19221 17070 1 17 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.863 1.365 19221 17071 1 17 . 1 1 161 161 ILE H H 161 8.867 8.867 8.666 0.201 19221 17072 1 17 . 1 1 162 162 ASP N N 162 128.130 128.130 128.589 -0.459 19221 17073 1 17 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.860 0.056 19221 17074 1 17 . 1 1 162 162 ASP C C 162 176.575 176.575 176.260 0.315 19221 17075 1 17 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.375 -0.635 19221 17076 1 17 . 1 1 162 162 ASP CB C 162 41.140 41.140 41.066 0.074 19221 17077 1 17 . 1 1 162 162 ASP H H 162 8.955 8.955 8.690 0.265 19221 17078 1 17 . 1 1 163 163 GLN N N 163 123.480 123.480 123.819 -0.339 19221 17079 1 17 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.110 -0.257 19221 17080 1 17 . 1 1 163 163 GLN C C 163 177.627 177.627 177.256 0.371 19221 17081 1 17 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.929 0.281 19221 17082 1 17 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.626 0.294 19221 17083 1 17 . 1 1 163 163 GLN H H 163 8.982 8.982 8.744 0.238 19221 17084 1 17 . 1 1 164 164 VAL N N 164 119.220 119.220 118.871 0.349 19221 17085 1 17 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.736 -0.053 19221 17086 1 17 . 1 1 164 164 VAL C C 164 177.519 177.519 177.667 -0.148 19221 17087 1 17 . 1 1 164 164 VAL CA C 164 65.770 65.770 65.019 0.751 19221 17088 1 17 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.581 0.349 19221 17089 1 17 . 1 1 164 164 VAL H H 164 7.974 7.974 7.939 0.035 19221 17090 1 17 . 1 1 165 165 ASN N N 165 114.430 114.430 116.793 -2.363 19221 17091 1 17 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.566 0.035 19221 17092 1 17 . 1 1 165 165 ASN C C 165 172.795 172.795 174.846 -2.051 19221 17093 1 17 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.760 -0.859 19221 17094 1 17 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.117 -0.287 19221 17095 1 17 . 1 1 165 165 ASN H H 165 7.502 7.502 8.201 -0.699 19221 17096 1 17 . 1 1 166 166 GLU N N 166 116.970 116.970 113.830 3.140 19221 17097 1 17 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.423 -0.409 19221 17098 1 17 . 1 1 166 166 GLU C C 166 174.562 174.562 173.348 1.214 19221 17099 1 17 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.526 -0.298 19221 17100 1 17 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.952 -0.136 19221 17101 1 17 . 1 1 166 166 GLU H H 166 7.268 7.268 7.648 -0.380 19221 17102 1 17 . 1 1 167 167 LEU N N 167 117.360 117.360 116.454 0.906 19221 17103 1 17 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.257 -0.259 19221 17104 1 17 . 1 1 167 167 LEU C C 167 175.659 175.659 175.236 0.423 19221 17105 1 17 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.240 0.430 19221 17106 1 17 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.913 0.397 19221 17107 1 17 . 1 1 167 167 LEU H H 167 7.699 7.699 7.738 -0.039 19221 17108 1 17 . 1 1 168 168 VAL N N 168 125.350 125.350 118.413 6.937 19221 17109 1 17 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.883 -0.044 19221 17110 1 17 . 1 1 168 168 VAL C C 168 174.792 174.792 174.971 -0.179 19221 17111 1 17 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.862 0.268 19221 17112 1 17 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.032 -1.683 19221 17113 1 17 . 1 1 168 168 VAL H H 168 9.445 9.445 9.097 0.348 19221 17114 1 17 . 1 1 169 169 THR N N 169 123.020 123.020 122.185 0.835 19221 17115 1 17 . 1 1 169 169 THR HA H 169 4.869 4.869 5.092 -0.223 19221 17116 1 17 . 1 1 169 169 THR C C 169 173.876 173.876 173.455 0.421 19221 17117 1 17 . 1 1 169 169 THR CA C 169 61.580 61.580 61.528 0.053 19221 17118 1 17 . 1 1 169 169 THR CB C 169 69.750 69.750 70.237 -0.487 19221 17119 1 17 . 1 1 169 169 THR H H 169 8.824 8.824 9.057 -0.233 19221 17120 1 17 . 1 1 170 170 ILE N N 170 126.700 126.700 127.379 -0.679 19221 17121 1 17 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.418 0.124 19221 17122 1 17 . 1 1 170 170 ILE C C 170 175.672 175.672 175.629 0.043 19221 17123 1 17 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.389 -0.059 19221 17124 1 17 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.529 -0.919 19221 17125 1 17 . 1 1 170 170 ILE H H 170 8.911 8.911 8.767 0.144 19221 17126 1 17 . 1 1 171 171 SER N N 171 122.780 122.780 118.885 3.895 19221 17127 1 17 . 1 1 171 171 SER HA H 171 4.670 4.670 4.784 -0.114 19221 17128 1 17 . 1 1 171 171 SER C C 171 174.700 174.700 173.399 1.301 19221 17129 1 17 . 1 1 171 171 SER CA C 171 58.280 58.280 59.168 -0.888 19221 17130 1 17 . 1 1 171 171 SER CB C 171 64.560 64.560 65.459 -0.899 19221 17131 1 17 . 1 1 171 171 SER H H 171 9.242 9.242 9.233 0.009 19221 17132 1 17 . 1 1 172 172 TRP N N 172 123.970 123.970 121.081 2.889 19221 17133 1 17 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.823 -0.188 19221 17134 1 17 . 1 1 172 172 TRP C C 172 172.618 172.618 173.482 -0.864 19221 17135 1 17 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.286 0.624 19221 17136 1 17 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.813 -1.163 19221 17137 1 17 . 1 1 172 172 TRP H H 172 7.929 7.929 7.662 0.267 19221 17138 1 17 . 1 1 173 173 VAL N N 173 123.660 123.660 123.775 -0.115 19221 17139 1 17 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.113 0.017 19221 17140 1 17 . 1 1 173 173 VAL C C 173 170.746 170.746 173.691 -2.945 19221 17141 1 17 . 1 1 173 173 VAL CA C 173 59.100 59.100 60.247 -1.147 19221 17142 1 17 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.167 0.053 19221 17143 1 17 . 1 1 173 173 VAL H H 173 6.764 6.764 7.466 -0.702 19221 17144 1 17 . 1 1 174 174 GLN N N 174 126.430 126.430 125.782 0.648 19221 17145 1 17 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.818 -0.212 19221 17146 1 17 . 1 1 174 174 GLN C C 174 172.955 172.955 173.970 -1.015 19221 17147 1 17 . 1 1 174 174 GLN CA C 174 54.050 54.050 53.958 0.092 19221 17148 1 17 . 1 1 174 174 GLN CB C 174 29.760 29.760 27.890 1.870 19221 17149 1 17 . 1 1 174 174 GLN H H 174 7.071 7.071 8.281 -1.210 19221 17150 1 17 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.035 -0.174 19221 17151 1 17 . 1 1 175 175 PRO C C 175 175.955 175.955 177.112 -1.157 19221 17152 1 17 . 1 1 175 175 PRO CA C 175 62.750 62.750 62.435 0.314 19221 17153 1 17 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.055 0.345 19221 17154 1 18 . 1 1 2 2 LYS HA H 2 4.140 4.140 3.793 0.347 19221 17155 1 18 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.512 -0.422 19221 17156 1 18 . 1 1 2 2 LYS CB C 2 32.930 32.930 31.262 1.669 19221 17157 1 18 . 1 1 4 4 ASP C C 4 176.140 176.140 175.412 0.728 19221 17158 1 18 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.611 1.919 19221 17159 1 18 . 1 1 4 4 ASP CB C 4 41.980 41.980 43.013 -1.033 19221 17160 1 18 . 1 1 5 5 PHE N N 5 122.270 122.270 123.725 -1.455 19221 17161 1 18 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.414 -0.235 19221 17162 1 18 . 1 1 5 5 PHE C C 5 177.706 177.706 176.891 0.815 19221 17163 1 18 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.743 0.137 19221 17164 1 18 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.254 -0.353 19221 17165 1 18 . 1 1 5 5 PHE H H 5 7.853 7.853 8.887 -1.034 19221 17166 1 18 . 1 1 6 6 ASN N N 6 114.920 114.920 118.062 -3.142 19221 17167 1 18 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.496 -0.095 19221 17168 1 18 . 1 1 6 6 ASN C C 6 176.990 176.990 177.607 -0.617 19221 17169 1 18 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.509 -0.039 19221 17170 1 18 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.465 0.758 19221 17171 1 18 . 1 1 6 6 ASN H H 6 8.051 8.051 8.756 -0.705 19221 17172 1 18 . 1 1 7 7 SER N N 7 112.970 112.970 117.236 -4.266 19221 17173 1 18 . 1 1 7 7 SER HA H 7 4.435 4.435 4.334 0.101 19221 17174 1 18 . 1 1 7 7 SER C C 7 177.780 177.780 176.778 1.002 19221 17175 1 18 . 1 1 7 7 SER CA C 7 61.440 61.440 62.262 -0.822 19221 17176 1 18 . 1 1 7 7 SER CB C 7 62.770 62.770 63.147 -0.376 19221 17177 1 18 . 1 1 7 7 SER H H 7 8.041 8.041 8.733 -0.692 19221 17178 1 18 . 1 1 8 8 PHE N N 8 123.560 123.560 123.548 0.012 19221 17179 1 18 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.193 -0.126 19221 17180 1 18 . 1 1 8 8 PHE C C 8 177.959 177.959 177.179 0.780 19221 17181 1 18 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.632 0.478 19221 17182 1 18 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.215 -0.249 19221 17183 1 18 . 1 1 8 8 PHE H H 8 8.364 8.364 8.448 -0.084 19221 17184 1 18 . 1 1 9 9 TYR N N 9 122.550 122.550 121.389 1.161 19221 17185 1 18 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.971 0.029 19221 17186 1 18 . 1 1 9 9 TYR C C 9 176.360 176.360 177.000 -0.640 19221 17187 1 18 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.303 -0.293 19221 17188 1 18 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.215 -0.015 19221 17189 1 18 . 1 1 9 9 TYR H H 9 8.230 8.230 8.949 -0.719 19221 17190 1 18 . 1 1 10 10 TYR N N 10 115.490 115.490 117.338 -1.848 19221 17191 1 18 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.967 0.139 19221 17192 1 18 . 1 1 10 10 TYR C C 10 180.280 180.280 178.051 2.229 19221 17193 1 18 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.968 0.553 19221 17194 1 18 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.111 -0.181 19221 17195 1 18 . 1 1 10 10 TYR H H 10 7.958 7.958 8.236 -0.278 19221 17196 1 18 . 1 1 11 11 THR N N 11 115.140 115.140 117.234 -2.094 19221 17197 1 18 . 1 1 11 11 THR HA H 11 3.934 3.934 3.897 0.037 19221 17198 1 18 . 1 1 11 11 THR CA C 11 66.560 66.560 67.061 -0.501 19221 17199 1 18 . 1 1 11 11 THR CB C 11 68.750 68.750 68.029 0.720 19221 17200 1 18 . 1 1 11 11 THR H H 11 8.806 8.806 8.650 0.156 19221 17201 1 18 . 1 1 12 12 SER N N 12 120.384 120.384 118.023 2.361 19221 17202 1 18 . 1 1 12 12 SER HA H 12 3.346 3.346 4.114 -0.768 19221 17203 1 18 . 1 1 12 12 SER C C 12 175.891 175.891 176.458 -0.567 19221 17204 1 18 . 1 1 12 12 SER CA C 12 62.740 62.740 62.157 0.583 19221 17205 1 18 . 1 1 12 12 SER CB C 12 62.580 62.580 62.863 -0.283 19221 17206 1 18 . 1 1 12 12 SER H H 12 8.151 8.151 7.947 0.204 19221 17207 1 18 . 1 1 13 13 LEU N N 13 121.640 121.640 121.802 -0.162 19221 17208 1 18 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.976 -0.175 19221 17209 1 18 . 1 1 13 13 LEU C C 13 180.374 180.374 178.250 2.124 19221 17210 1 18 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.450 0.900 19221 17211 1 18 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.756 -0.346 19221 17212 1 18 . 1 1 13 13 LEU H H 13 7.893 7.893 7.846 0.047 19221 17213 1 18 . 1 1 14 14 LEU N N 14 120.470 120.470 120.941 -0.471 19221 17214 1 18 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.960 0.201 19221 17215 1 18 . 1 1 14 14 LEU C C 14 179.880 179.880 178.557 1.323 19221 17216 1 18 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.783 0.217 19221 17217 1 18 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.983 -0.434 19221 17218 1 18 . 1 1 14 14 LEU H H 14 7.528 7.528 8.366 -0.838 19221 17219 1 18 . 1 1 15 15 TYR N N 15 122.257 122.257 119.140 3.117 19221 17220 1 18 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.220 0.045 19221 17221 1 18 . 1 1 15 15 TYR C C 15 177.033 177.033 177.709 -0.676 19221 17222 1 18 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.036 -0.306 19221 17223 1 18 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.435 -0.335 19221 17224 1 18 . 1 1 15 15 TYR H H 15 8.135 8.135 8.433 -0.298 19221 17225 1 18 . 1 1 16 16 LEU N N 16 118.440 118.440 118.487 -0.047 19221 17226 1 18 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.845 -0.040 19221 17227 1 18 . 1 1 16 16 LEU C C 16 179.055 179.055 179.171 -0.116 19221 17228 1 18 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.222 -0.009 19221 17229 1 18 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.761 0.304 19221 17230 1 18 . 1 1 16 16 LEU H H 16 8.452 8.452 7.712 0.740 19221 17231 1 18 . 1 1 17 17 SER N N 17 114.450 114.450 115.877 -1.427 19221 17232 1 18 . 1 1 17 17 SER HA H 17 4.430 4.430 4.200 0.230 19221 17233 1 18 . 1 1 17 17 SER C C 17 175.197 175.197 176.006 -0.809 19221 17234 1 18 . 1 1 17 17 SER CA C 17 61.040 61.040 61.141 -0.101 19221 17235 1 18 . 1 1 17 17 SER CB C 17 63.460 63.460 63.282 0.178 19221 17236 1 18 . 1 1 17 17 SER H H 17 7.848 7.848 8.163 -0.315 19221 17237 1 18 . 1 1 18 18 THR N N 18 110.850 110.850 111.560 -0.710 19221 17238 1 18 . 1 1 18 18 THR HA H 18 4.452 4.452 4.264 0.188 19221 17239 1 18 . 1 1 18 18 THR C C 18 174.439 174.439 174.714 -0.275 19221 17240 1 18 . 1 1 18 18 THR CA C 18 61.421 61.421 61.871 -0.450 19221 17241 1 18 . 1 1 18 18 THR CB C 18 69.940 69.940 69.279 0.661 19221 17242 1 18 . 1 1 18 18 THR H H 18 7.505 7.505 7.863 -0.358 19221 17243 1 18 . 1 1 19 19 LEU N N 19 123.180 123.180 123.404 -0.224 19221 17244 1 18 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.011 0.149 19221 17245 1 18 . 1 1 19 19 LEU C C 19 176.926 176.926 176.532 0.394 19221 17246 1 18 . 1 1 19 19 LEU CA C 19 55.290 55.290 55.541 -0.251 19221 17247 1 18 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.639 -0.191 19221 17248 1 18 . 1 1 19 19 LEU H H 19 7.095 7.095 7.229 -0.134 19221 17249 1 18 . 1 1 20 20 GLU N N 20 125.330 125.330 124.584 0.746 19221 17250 1 18 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.362 0.246 19221 17251 1 18 . 1 1 20 20 GLU C C 20 175.915 175.915 176.502 -0.587 19221 17252 1 18 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.101 -0.328 19221 17253 1 18 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.556 0.034 19221 17254 1 18 . 1 1 20 20 GLU H H 20 8.535 8.535 8.417 0.118 19221 17255 1 18 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.281 0.052 19221 17256 1 18 . 1 1 21 21 PRO C C 21 177.196 177.196 177.116 0.080 19221 17257 1 18 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.606 0.174 19221 17258 1 18 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.635 0.215 19221 17259 1 18 . 1 1 22 22 SER N N 22 111.220 111.220 113.693 -2.473 19221 17260 1 18 . 1 1 22 22 SER HA H 22 4.398 4.398 4.347 0.051 19221 17261 1 18 . 1 1 22 22 SER C C 22 175.056 175.056 174.267 0.789 19221 17262 1 18 . 1 1 22 22 SER CA C 22 58.530 58.530 58.879 -0.349 19221 17263 1 18 . 1 1 22 22 SER CB C 22 63.500 63.500 62.839 0.661 19221 17264 1 18 . 1 1 22 22 SER H H 22 7.967 7.967 8.063 -0.096 19221 17265 1 18 . 1 1 23 23 THR N N 23 117.440 117.440 113.054 4.386 19221 17266 1 18 . 1 1 23 23 THR HA H 23 4.279 4.279 3.855 0.424 19221 17267 1 18 . 1 1 23 23 THR C C 23 174.573 174.573 174.718 -0.145 19221 17268 1 18 . 1 1 23 23 THR CA C 23 62.920 62.920 62.441 0.479 19221 17269 1 18 . 1 1 23 23 THR CB C 23 69.260 69.260 67.498 1.762 19221 17270 1 18 . 1 1 23 23 THR H H 23 7.936 7.936 7.785 0.151 19221 17271 1 18 . 1 1 24 24 SER N N 24 119.820 119.820 116.981 2.839 19221 17272 1 18 . 1 1 24 24 SER HA H 24 4.485 4.485 4.253 0.232 19221 17273 1 18 . 1 1 24 24 SER C C 24 174.082 174.082 174.707 -0.625 19221 17274 1 18 . 1 1 24 24 SER CA C 24 58.600 58.600 59.007 -0.407 19221 17275 1 18 . 1 1 24 24 SER CB C 24 63.430 63.430 63.896 -0.466 19221 17276 1 18 . 1 1 24 24 SER H H 24 8.438 8.438 8.195 0.243 19221 17277 1 18 . 1 1 25 25 ILE N N 25 123.140 123.140 117.691 5.449 19221 17278 1 18 . 1 1 25 25 ILE HA H 25 4.479 4.479 3.917 0.562 19221 17279 1 18 . 1 1 25 25 ILE C C 25 176.472 176.472 176.236 0.236 19221 17280 1 18 . 1 1 25 25 ILE CA C 25 61.010 61.010 62.296 -1.286 19221 17281 1 18 . 1 1 25 25 ILE CB C 25 39.460 39.460 36.991 2.469 19221 17282 1 18 . 1 1 25 25 ILE H H 25 7.870 7.870 8.523 -0.653 19221 17283 1 18 . 1 1 26 26 THR N N 26 118.120 118.120 113.188 4.932 19221 17284 1 18 . 1 1 26 26 THR HA H 26 4.394 4.394 4.702 -0.308 19221 17285 1 18 . 1 1 26 26 THR C C 26 175.540 175.540 175.388 0.152 19221 17286 1 18 . 1 1 26 26 THR CA C 26 61.890 61.890 59.956 1.934 19221 17287 1 18 . 1 1 26 26 THR CB C 26 71.320 71.320 70.455 0.865 19221 17288 1 18 . 1 1 26 26 THR H H 26 8.649 8.649 8.197 0.452 19221 17289 1 18 . 1 1 27 27 LEU N N 27 123.130 123.130 121.407 1.723 19221 17290 1 18 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.129 -0.040 19221 17291 1 18 . 1 1 27 27 LEU C C 27 178.653 178.653 178.291 0.362 19221 17292 1 18 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.569 1.190 19221 17293 1 18 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.465 -0.285 19221 17294 1 18 . 1 1 27 27 LEU H H 27 8.766 8.766 8.654 0.112 19221 17295 1 18 . 1 1 28 28 ALA N N 28 119.510 119.510 120.978 -1.468 19221 17296 1 18 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.054 0.209 19221 17297 1 18 . 1 1 28 28 ALA C C 28 178.218 178.218 179.831 -1.613 19221 17298 1 18 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.966 0.354 19221 17299 1 18 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.109 0.011 19221 17300 1 18 . 1 1 28 28 ALA H H 28 8.546 8.546 8.323 0.223 19221 17301 1 18 . 1 1 29 29 GLU N N 29 118.210 118.210 117.980 0.230 19221 17302 1 18 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.109 -0.028 19221 17303 1 18 . 1 1 29 29 GLU C C 29 179.929 179.929 179.390 0.539 19221 17304 1 18 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.250 0.050 19221 17305 1 18 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.500 0.576 19221 17306 1 18 . 1 1 29 29 GLU H H 29 7.719 7.719 7.950 -0.231 19221 17307 1 18 . 1 1 30 30 ARG N N 30 121.350 121.350 120.319 1.031 19221 17308 1 18 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.051 -0.092 19221 17309 1 18 . 1 1 30 30 ARG C C 30 177.538 177.538 178.953 -1.415 19221 17310 1 18 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.627 1.018 19221 17311 1 18 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.113 0.887 19221 17312 1 18 . 1 1 30 30 ARG H H 30 8.410 8.410 8.060 0.349 19221 17313 1 18 . 1 1 31 31 GLN N N 31 117.670 117.670 118.738 -1.068 19221 17314 1 18 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.073 -0.121 19221 17315 1 18 . 1 1 31 31 GLN C C 31 178.220 178.220 178.713 -0.493 19221 17316 1 18 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.245 -0.290 19221 17317 1 18 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.615 0.015 19221 17318 1 18 . 1 1 31 31 GLN H H 31 8.742 8.742 8.526 0.216 19221 17319 1 18 . 1 1 32 32 GLN N N 32 117.910 117.910 120.111 -2.201 19221 17320 1 18 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.215 -0.228 19221 17321 1 18 . 1 1 32 32 GLN C C 32 177.712 177.712 178.499 -0.787 19221 17322 1 18 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.611 -0.281 19221 17323 1 18 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.295 0.025 19221 17324 1 18 . 1 1 32 32 GLN H H 32 7.732 7.732 7.702 0.030 19221 17325 1 18 . 1 1 33 33 LEU N N 33 119.680 119.680 120.821 -1.141 19221 17326 1 18 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.152 0.252 19221 17327 1 18 . 1 1 33 33 LEU C C 33 178.876 178.876 177.972 0.904 19221 17328 1 18 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.398 0.652 19221 17329 1 18 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.665 0.135 19221 17330 1 18 . 1 1 33 33 LEU H H 33 7.846 7.846 8.302 -0.456 19221 17331 1 18 . 1 1 34 34 ALA N N 34 121.660 121.660 122.743 -1.083 19221 17332 1 18 . 1 1 34 34 ALA HA H 34 3.741 3.741 4.033 -0.292 19221 17333 1 18 . 1 1 34 34 ALA C C 34 180.025 180.025 179.256 0.769 19221 17334 1 18 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.367 0.303 19221 17335 1 18 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.119 0.821 19221 17336 1 18 . 1 1 34 34 ALA H H 34 8.308 8.308 8.719 -0.411 19221 17337 1 18 . 1 1 35 35 TYR N N 35 120.860 120.860 119.675 1.185 19221 17338 1 18 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.780 -0.022 19221 17339 1 18 . 1 1 35 35 TYR C C 35 176.384 176.384 177.440 -1.056 19221 17340 1 18 . 1 1 35 35 TYR CA C 35 62.020 62.020 62.180 -0.160 19221 17341 1 18 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.112 0.348 19221 17342 1 18 . 1 1 35 35 TYR H H 35 8.457 8.457 8.354 0.103 19221 17343 1 18 . 1 1 36 36 ASP N N 36 120.570 120.570 119.714 0.856 19221 17344 1 18 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.262 -0.027 19221 17345 1 18 . 1 1 36 36 ASP C C 36 180.544 180.544 178.689 1.855 19221 17346 1 18 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.583 0.357 19221 17347 1 18 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.866 -0.396 19221 17348 1 18 . 1 1 36 36 ASP H H 36 9.072 9.072 8.504 0.568 19221 17349 1 18 . 1 1 37 37 LEU N N 37 123.000 123.000 120.498 2.502 19221 17350 1 18 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.015 0.131 19221 17351 1 18 . 1 1 37 37 LEU C C 37 178.743 178.743 179.041 -0.298 19221 17352 1 18 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.618 -0.004 19221 17353 1 18 . 1 1 37 37 LEU CB C 37 42.810 42.810 42.046 0.764 19221 17354 1 18 . 1 1 37 37 LEU H H 37 9.068 9.068 8.570 0.498 19221 17355 1 18 . 1 1 38 38 SER N N 38 116.650 116.650 115.556 1.094 19221 17356 1 18 . 1 1 38 38 SER HA H 38 3.680 3.680 4.173 -0.493 19221 17357 1 18 . 1 1 38 38 SER C C 38 174.113 174.113 176.703 -2.590 19221 17358 1 18 . 1 1 38 38 SER CA C 38 59.430 59.430 62.227 -2.796 19221 17359 1 18 . 1 1 38 38 SER CB C 38 63.559 63.559 62.757 0.802 19221 17360 1 18 . 1 1 38 38 SER H H 38 7.824 7.824 8.026 -0.202 19221 17361 1 18 . 1 1 39 39 ILE N N 39 121.198 121.198 121.891 -0.693 19221 17362 1 18 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.600 -0.195 19221 17363 1 18 . 1 1 39 39 ILE C C 39 176.113 176.113 177.789 -1.676 19221 17364 1 18 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.451 -1.091 19221 17365 1 18 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.684 -1.336 19221 17366 1 18 . 1 1 39 39 ILE H H 39 8.313 8.313 8.244 0.069 19221 17367 1 18 . 1 1 40 40 SER N N 40 115.537 115.537 115.947 -0.410 19221 17368 1 18 . 1 1 40 40 SER HA H 40 4.534 4.534 4.242 0.292 19221 17369 1 18 . 1 1 40 40 SER C C 40 174.881 174.881 176.402 -1.521 19221 17370 1 18 . 1 1 40 40 SER CA C 40 62.520 62.520 62.127 0.393 19221 17371 1 18 . 1 1 40 40 SER CB C 40 62.670 62.670 62.919 -0.249 19221 17372 1 18 . 1 1 40 40 SER H H 40 7.961 7.961 8.522 -0.561 19221 17373 1 18 . 1 1 41 41 ALA N N 41 123.360 123.360 123.911 -0.551 19221 17374 1 18 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.725 -0.133 19221 17375 1 18 . 1 1 41 41 ALA C C 41 178.822 178.822 178.935 -0.113 19221 17376 1 18 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.538 -0.416 19221 17377 1 18 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.342 0.048 19221 17378 1 18 . 1 1 41 41 ALA H H 41 7.878 7.878 7.853 0.025 19221 17379 1 18 . 1 1 42 42 LEU N N 42 115.790 115.790 118.369 -2.579 19221 17380 1 18 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.221 -0.645 19221 17381 1 18 . 1 1 42 42 LEU C C 42 179.683 179.683 178.898 0.785 19221 17382 1 18 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.261 1.470 19221 17383 1 18 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.350 -0.140 19221 17384 1 18 . 1 1 42 42 LEU H H 42 7.737 7.737 7.849 -0.112 19221 17385 1 18 . 1 1 43 43 LEU N N 43 113.670 113.670 116.177 -2.507 19221 17386 1 18 . 1 1 43 43 LEU HA H 43 4.007 4.007 3.948 0.059 19221 17387 1 18 . 1 1 43 43 LEU C C 43 177.279 177.279 178.049 -0.770 19221 17388 1 18 . 1 1 43 43 LEU CA C 43 54.930 54.930 55.930 -1.000 19221 17389 1 18 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.368 -0.548 19221 17390 1 18 . 1 1 43 43 LEU H H 43 7.798 7.798 7.805 -0.007 19221 17391 1 18 . 1 1 44 44 GLY N N 44 108.270 108.270 106.604 1.666 19221 17392 1 18 . 1 1 44 44 GLY C C 44 177.020 177.020 174.824 2.196 19221 17393 1 18 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.958 1.932 19221 17394 1 18 . 1 1 44 44 GLY H H 44 7.984 7.984 7.498 0.486 19221 17395 1 18 . 1 1 45 45 ASP N N 45 128.400 128.400 125.003 3.397 19221 17396 1 18 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.214 0.345 19221 17397 1 18 . 1 1 45 45 ASP C C 45 177.183 177.183 177.266 -0.083 19221 17398 1 18 . 1 1 45 45 ASP CA C 45 55.450 55.450 57.107 -1.657 19221 17399 1 18 . 1 1 45 45 ASP CB C 45 39.790 39.790 40.883 -1.093 19221 17400 1 18 . 1 1 45 45 ASP H H 45 9.073 9.073 8.124 0.949 19221 17401 1 18 . 1 1 46 46 LYS N N 46 117.230 117.230 116.521 0.709 19221 17402 1 18 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.250 0.695 19221 17403 1 18 . 1 1 46 46 LYS C C 46 176.544 176.544 176.885 -0.341 19221 17404 1 18 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.536 0.074 19221 17405 1 18 . 1 1 46 46 LYS CB C 46 33.960 33.960 31.904 2.055 19221 17406 1 18 . 1 1 46 46 LYS H H 46 8.987 8.987 8.303 0.684 19221 17407 1 18 . 1 1 47 47 ILE N N 47 121.540 121.540 119.885 1.655 19221 17408 1 18 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.854 0.243 19221 17409 1 18 . 1 1 47 47 ILE C C 47 174.082 174.082 174.706 -0.624 19221 17410 1 18 . 1 1 47 47 ILE CA C 47 61.080 61.080 61.131 -0.051 19221 17411 1 18 . 1 1 47 47 ILE CB C 47 37.008 37.008 38.344 -1.336 19221 17412 1 18 . 1 1 47 47 ILE H H 47 6.840 6.840 7.738 -0.898 19221 17413 1 18 . 1 1 48 48 TYR N N 48 123.820 123.820 125.456 -1.636 19221 17414 1 18 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.268 0.041 19221 17415 1 18 . 1 1 48 48 TYR C C 48 173.249 173.249 174.934 -1.685 19221 17416 1 18 . 1 1 48 48 TYR CA C 48 57.350 57.350 60.160 -2.810 19221 17417 1 18 . 1 1 48 48 TYR CB C 48 39.230 39.230 40.701 -1.471 19221 17418 1 18 . 1 1 48 48 TYR H H 48 8.511 8.511 8.265 0.246 19221 17419 1 18 . 1 1 49 49 ASN N N 49 116.100 116.100 118.779 -2.679 19221 17420 1 18 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.069 0.382 19221 17421 1 18 . 1 1 49 49 ASN C C 49 175.429 175.429 175.758 -0.329 19221 17422 1 18 . 1 1 49 49 ASN CA C 49 53.077 53.077 54.402 -1.325 19221 17423 1 18 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.444 1.472 19221 17424 1 18 . 1 1 49 49 ASN H H 49 6.906 6.906 8.292 -1.386 19221 17425 1 18 . 1 1 50 50 PHE N N 50 124.360 124.360 111.183 13.177 19221 17426 1 18 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.036 0.975 19221 17427 1 18 . 1 1 50 50 PHE C C 50 176.190 176.190 177.389 -1.199 19221 17428 1 18 . 1 1 50 50 PHE CA C 50 55.863 55.863 59.673 -3.810 19221 17429 1 18 . 1 1 50 50 PHE CB C 50 38.482 38.482 36.761 1.721 19221 17430 1 18 . 1 1 50 50 PHE H H 50 8.980 8.980 8.066 0.914 19221 17431 1 18 . 1 1 51 51 GLY N N 51 109.740 109.740 106.603 3.137 19221 17432 1 18 . 1 1 51 51 GLY C C 51 175.758 175.758 175.321 0.437 19221 17433 1 18 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.232 1.068 19221 17434 1 18 . 1 1 51 51 GLY H H 51 8.658 8.658 8.161 0.497 19221 17435 1 18 . 1 1 52 52 GLU N N 52 120.700 120.700 121.328 -0.628 19221 17436 1 18 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.098 -0.016 19221 17437 1 18 . 1 1 52 52 GLU C C 52 178.240 178.240 178.893 -0.653 19221 17438 1 18 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.164 0.046 19221 17439 1 18 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.411 0.328 19221 17440 1 18 . 1 1 52 52 GLU H H 52 8.321 8.321 8.767 -0.446 19221 17441 1 18 . 1 1 53 53 LEU N N 53 119.400 119.400 121.355 -1.955 19221 17442 1 18 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.191 -0.033 19221 17443 1 18 . 1 1 53 53 LEU C C 53 178.344 178.344 178.796 -0.452 19221 17444 1 18 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.929 -0.139 19221 17445 1 18 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.077 0.763 19221 17446 1 18 . 1 1 53 53 LEU H H 53 7.694 7.694 7.557 0.137 19221 17447 1 18 . 1 1 54 54 LEU N N 54 114.230 114.230 116.598 -2.368 19221 17448 1 18 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.083 -0.160 19221 17449 1 18 . 1 1 54 54 LEU C C 54 178.643 178.643 178.476 0.167 19221 17450 1 18 . 1 1 54 54 LEU CA C 54 57.730 57.730 57.395 0.335 19221 17451 1 18 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.714 0.136 19221 17452 1 18 . 1 1 54 54 LEU H H 54 8.369 8.369 8.043 0.326 19221 17453 1 18 . 1 1 55 55 HIS N N 55 113.420 113.420 115.501 -2.081 19221 17454 1 18 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.455 0.252 19221 17455 1 18 . 1 1 55 55 HIS C C 55 173.981 173.981 175.431 -1.450 19221 17456 1 18 . 1 1 55 55 HIS CA C 55 55.520 55.520 57.172 -1.652 19221 17457 1 18 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.166 -1.886 19221 17458 1 18 . 1 1 55 55 HIS H H 55 7.569 7.569 7.815 -0.246 19221 17459 1 18 . 1 1 56 56 HIS N N 56 126.050 126.050 120.621 5.429 19221 17460 1 18 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.615 -0.134 19221 17461 1 18 . 1 1 56 56 HIS C C 56 176.705 176.705 174.567 2.138 19221 17462 1 18 . 1 1 56 56 HIS CA C 56 57.350 57.350 53.995 3.354 19221 17463 1 18 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.142 0.578 19221 17464 1 18 . 1 1 56 56 HIS H H 56 8.068 8.068 7.748 0.320 19221 17465 1 18 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.095 0.282 19221 17466 1 18 . 1 1 57 57 PRO C C 57 179.790 179.790 178.252 1.538 19221 17467 1 18 . 1 1 57 57 PRO CA C 57 65.440 65.440 65.131 0.309 19221 17468 1 18 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.514 0.916 19221 17469 1 18 . 1 1 58 58 ILE N N 58 124.900 124.900 119.588 5.312 19221 17470 1 18 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.710 0.560 19221 17471 1 18 . 1 1 58 58 ILE C C 58 177.782 177.782 177.021 0.761 19221 17472 1 18 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.900 -1.370 19221 17473 1 18 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.624 0.646 19221 17474 1 18 . 1 1 58 58 ILE H H 58 11.871 11.871 7.372 4.499 19221 17475 1 18 . 1 1 59 59 MET N N 59 120.230 120.230 116.573 3.657 19221 17476 1 18 . 1 1 59 59 MET HA H 59 4.431 4.431 4.249 0.182 19221 17477 1 18 . 1 1 59 59 MET C C 59 178.757 178.757 178.293 0.464 19221 17478 1 18 . 1 1 59 59 MET CA C 59 55.720 55.720 56.437 -0.717 19221 17479 1 18 . 1 1 59 59 MET CB C 59 30.980 30.980 30.736 0.244 19221 17480 1 18 . 1 1 59 59 MET H H 59 8.152 8.152 8.181 -0.029 19221 17481 1 18 . 1 1 60 60 GLU N N 60 119.080 119.080 119.001 0.079 19221 17482 1 18 . 1 1 60 60 GLU HA H 60 4.008 4.008 4.005 0.003 19221 17483 1 18 . 1 1 60 60 GLU C C 60 178.242 178.242 178.725 -0.483 19221 17484 1 18 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.542 -1.022 19221 17485 1 18 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.977 0.570 19221 17486 1 18 . 1 1 60 60 GLU H H 60 7.889 7.889 7.917 -0.028 19221 17487 1 18 . 1 1 61 61 THR N N 61 106.740 106.740 110.317 -3.577 19221 17488 1 18 . 1 1 61 61 THR HA H 61 4.120 4.120 4.105 0.015 19221 17489 1 18 . 1 1 61 61 THR C C 61 176.056 176.056 176.049 0.007 19221 17490 1 18 . 1 1 61 61 THR CA C 61 64.520 64.520 65.014 -0.494 19221 17491 1 18 . 1 1 61 61 THR CB C 61 69.420 69.420 68.896 0.524 19221 17492 1 18 . 1 1 61 61 THR H H 61 7.558 7.558 7.771 -0.213 19221 17493 1 18 . 1 1 62 62 ILE N N 62 113.140 113.140 113.106 0.034 19221 17494 1 18 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.504 0.083 19221 17495 1 18 . 1 1 62 62 ILE C C 62 176.843 176.843 176.903 -0.060 19221 17496 1 18 . 1 1 62 62 ILE CA C 62 61.790 61.790 62.266 -0.476 19221 17497 1 18 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.982 0.388 19221 17498 1 18 . 1 1 62 62 ILE H H 62 7.235 7.235 7.482 -0.247 19221 17499 1 18 . 1 1 63 63 VAL N N 63 122.110 122.110 120.351 1.759 19221 17500 1 18 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.491 -0.145 19221 17501 1 18 . 1 1 63 63 VAL C C 63 175.165 175.165 177.181 -2.016 19221 17502 1 18 . 1 1 63 63 VAL CA C 63 64.440 64.440 65.410 -0.970 19221 17503 1 18 . 1 1 63 63 VAL CB C 63 31.199 31.199 30.626 0.573 19221 17504 1 18 . 1 1 63 63 VAL H H 63 7.436 7.436 7.948 -0.512 19221 17505 1 18 . 1 1 64 64 ASN N N 64 116.810 116.810 116.614 0.196 19221 17506 1 18 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.514 0.267 19221 17507 1 18 . 1 1 64 64 ASN C C 64 174.101 174.101 175.771 -1.670 19221 17508 1 18 . 1 1 64 64 ASN CA C 64 52.900 52.900 54.692 -1.792 19221 17509 1 18 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.563 0.216 19221 17510 1 18 . 1 1 64 64 ASN H H 64 8.352 8.352 7.723 0.629 19221 17511 1 18 . 1 1 65 65 ASP N N 65 120.930 120.930 118.208 2.722 19221 17512 1 18 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.734 0.146 19221 17513 1 18 . 1 1 65 65 ASP C C 65 177.534 177.534 175.947 1.587 19221 17514 1 18 . 1 1 65 65 ASP CA C 65 53.170 53.170 53.134 0.036 19221 17515 1 18 . 1 1 65 65 ASP CB C 65 43.100 43.100 41.872 1.228 19221 17516 1 18 . 1 1 65 65 ASP H H 65 7.453 7.453 7.520 -0.067 19221 17517 1 18 . 1 1 66 66 SER HA H 66 4.356 4.356 3.912 0.444 19221 17518 1 18 . 1 1 66 66 SER C C 66 176.310 176.310 175.263 1.047 19221 17519 1 18 . 1 1 66 66 SER CA C 66 61.350 61.350 59.851 1.499 19221 17520 1 18 . 1 1 66 66 SER CB C 66 63.120 63.120 62.237 0.883 19221 17521 1 18 . 1 1 66 66 SER H H 66 7.010 7.010 8.320 -1.310 19221 17522 1 18 . 1 1 67 67 ASN N N 67 120.050 120.050 119.190 0.860 19221 17523 1 18 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.355 0.250 19221 17524 1 18 . 1 1 67 67 ASN C C 67 176.107 176.107 174.682 1.425 19221 17525 1 18 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.255 0.314 19221 17526 1 18 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.465 0.135 19221 17527 1 18 . 1 1 67 67 ASN H H 67 9.014 9.014 8.511 0.503 19221 17528 1 18 . 1 1 68 68 TYR N N 68 114.840 114.840 113.928 0.912 19221 17529 1 18 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.328 0.191 19221 17530 1 18 . 1 1 68 68 TYR C C 68 175.709 175.709 175.301 0.408 19221 17531 1 18 . 1 1 68 68 TYR CA C 68 57.610 57.610 55.340 2.270 19221 17532 1 18 . 1 1 68 68 TYR CB C 68 39.750 39.750 37.607 2.143 19221 17533 1 18 . 1 1 68 68 TYR H H 68 8.276 8.276 7.718 0.558 19221 17534 1 18 . 1 1 69 69 ASP N N 69 122.810 122.810 122.885 -0.075 19221 17535 1 18 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.384 0.068 19221 17536 1 18 . 1 1 69 69 ASP C C 69 178.371 178.371 177.644 0.727 19221 17537 1 18 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.548 0.082 19221 17538 1 18 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.955 -0.325 19221 17539 1 18 . 1 1 69 69 ASP H H 69 7.806 7.806 8.029 -0.223 19221 17540 1 18 . 1 1 70 70 TRP N N 70 117.270 117.270 117.898 -0.628 19221 17541 1 18 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.476 -0.312 19221 17542 1 18 . 1 1 70 70 TRP C C 70 176.090 176.090 177.703 -1.613 19221 17543 1 18 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.412 -0.882 19221 17544 1 18 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.402 -0.852 19221 17545 1 18 . 1 1 70 70 TRP H H 70 8.172 8.172 8.006 0.166 19221 17546 1 18 . 1 1 71 71 LEU N N 71 125.263 125.263 121.883 3.380 19221 17547 1 18 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.825 -0.585 19221 17548 1 18 . 1 1 71 71 LEU C C 71 178.306 178.306 178.462 -0.156 19221 17549 1 18 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.121 0.489 19221 17550 1 18 . 1 1 71 71 LEU CB C 71 41.190 41.190 41.087 0.103 19221 17551 1 18 . 1 1 71 71 LEU H H 71 6.251 6.251 6.404 -0.153 19221 17552 1 18 . 1 1 72 72 PHE N N 72 117.630 117.630 119.913 -2.283 19221 17553 1 18 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.998 -0.185 19221 17554 1 18 . 1 1 72 72 PHE C C 72 178.797 178.797 177.110 1.687 19221 17555 1 18 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.770 0.801 19221 17556 1 18 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.957 -0.147 19221 17557 1 18 . 1 1 72 72 PHE H H 72 6.996 6.996 8.690 -1.694 19221 17558 1 18 . 1 1 73 73 GLN N N 73 117.950 117.950 117.671 0.279 19221 17559 1 18 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.682 0.384 19221 17560 1 18 . 1 1 73 73 GLN C C 73 179.341 179.341 178.216 1.125 19221 17561 1 18 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.762 0.328 19221 17562 1 18 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.779 -0.529 19221 17563 1 18 . 1 1 73 73 GLN H H 73 8.415 8.415 8.475 -0.060 19221 17564 1 18 . 1 1 74 74 LEU N N 74 122.275 122.275 122.775 -0.500 19221 17565 1 18 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.053 0.017 19221 17566 1 18 . 1 1 74 74 LEU C C 74 177.889 177.889 178.110 -0.221 19221 17567 1 18 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.698 0.872 19221 17568 1 18 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.698 0.482 19221 17569 1 18 . 1 1 74 74 LEU H H 74 8.365 8.365 7.792 0.573 19221 17570 1 18 . 1 1 75 75 LEU N N 75 118.123 118.123 119.473 -1.350 19221 17571 1 18 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.477 0.250 19221 17572 1 18 . 1 1 75 75 LEU C C 75 180.172 180.172 178.995 1.177 19221 17573 1 18 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.339 0.114 19221 17574 1 18 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.006 1.334 19221 17575 1 18 . 1 1 75 75 LEU H H 75 8.210 8.210 8.607 -0.397 19221 17576 1 18 . 1 1 76 76 ASN N N 76 117.960 117.960 117.640 0.320 19221 17577 1 18 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.185 0.190 19221 17578 1 18 . 1 1 76 76 ASN C C 76 176.582 176.582 177.177 -0.595 19221 17579 1 18 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.103 0.857 19221 17580 1 18 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.904 1.046 19221 17581 1 18 . 1 1 76 76 ASN H H 76 8.363 8.363 8.191 0.172 19221 17582 1 18 . 1 1 77 77 ALA N N 77 121.740 121.740 122.168 -0.428 19221 17583 1 18 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.023 0.144 19221 17584 1 18 . 1 1 77 77 ALA C C 77 179.988 179.988 179.885 0.103 19221 17585 1 18 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.837 0.723 19221 17586 1 18 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.332 -1.002 19221 17587 1 18 . 1 1 77 77 ALA H H 77 8.385 8.385 8.098 0.287 19221 17588 1 18 . 1 1 78 78 LEU N N 78 116.550 116.550 117.749 -1.199 19221 17589 1 18 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.772 -0.119 19221 17590 1 18 . 1 1 78 78 LEU C C 78 177.576 177.576 178.880 -1.304 19221 17591 1 18 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.440 1.544 19221 17592 1 18 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.874 0.136 19221 17593 1 18 . 1 1 78 78 LEU H H 78 7.965 7.965 8.059 -0.094 19221 17594 1 18 . 1 1 79 79 THR N N 79 113.220 113.220 111.949 1.271 19221 17595 1 18 . 1 1 79 79 THR HA H 79 3.807 3.807 4.210 -0.403 19221 17596 1 18 . 1 1 79 79 THR C C 79 176.163 176.163 175.227 0.936 19221 17597 1 18 . 1 1 79 79 THR CA C 79 66.980 66.980 65.714 1.266 19221 17598 1 18 . 1 1 79 79 THR CB C 79 69.240 69.240 69.343 -0.103 19221 17599 1 18 . 1 1 79 79 THR H H 79 7.565 7.565 7.709 -0.144 19221 17600 1 18 . 1 1 80 80 VAL N N 80 110.800 110.800 111.809 -1.009 19221 17601 1 18 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.491 0.018 19221 17602 1 18 . 1 1 80 80 VAL C C 80 176.751 176.751 176.047 0.704 19221 17603 1 18 . 1 1 80 80 VAL CA C 80 60.890 60.890 61.347 -0.457 19221 17604 1 18 . 1 1 80 80 VAL CB C 80 32.005 32.005 33.012 -1.007 19221 17605 1 18 . 1 1 80 80 VAL H H 80 7.792 7.792 7.199 0.593 19221 17606 1 18 . 1 1 81 81 GLY N N 81 112.910 112.910 110.090 2.820 19221 17607 1 18 . 1 1 81 81 GLY C C 81 173.874 173.874 174.325 -0.451 19221 17608 1 18 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.832 1.448 19221 17609 1 18 . 1 1 81 81 GLY H H 81 7.506 7.506 7.610 -0.104 19221 17610 1 18 . 1 1 82 82 ASP N N 82 119.112 119.112 121.237 -2.125 19221 17611 1 18 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.592 0.248 19221 17612 1 18 . 1 1 82 82 ASP C C 82 175.706 175.706 176.218 -0.512 19221 17613 1 18 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.887 0.033 19221 17614 1 18 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.146 0.804 19221 17615 1 18 . 1 1 82 82 ASP H H 82 8.254 8.254 7.892 0.362 19221 17616 1 18 . 1 1 83 83 PHE N N 83 123.870 123.870 122.337 1.533 19221 17617 1 18 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.097 -0.269 19221 17618 1 18 . 1 1 83 83 PHE C C 83 177.950 177.950 177.003 0.947 19221 17619 1 18 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.710 1.860 19221 17620 1 18 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.153 0.967 19221 17621 1 18 . 1 1 83 83 PHE H H 83 8.025 8.025 7.866 0.159 19221 17622 1 18 . 1 1 84 84 ASP N N 84 119.583 119.583 120.775 -1.192 19221 17623 1 18 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.441 0.081 19221 17624 1 18 . 1 1 84 84 ASP C C 84 179.005 179.005 178.630 0.375 19221 17625 1 18 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.397 0.263 19221 17626 1 18 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.751 -0.191 19221 17627 1 18 . 1 1 84 84 ASP H H 84 8.464 8.464 7.479 0.985 19221 17628 1 18 . 1 1 85 85 LYS N N 85 122.200 122.200 119.501 2.699 19221 17629 1 18 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.101 -0.009 19221 17630 1 18 . 1 1 85 85 LYS C C 85 178.580 178.580 179.043 -0.463 19221 17631 1 18 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.493 -0.243 19221 17632 1 18 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.296 0.014 19221 17633 1 18 . 1 1 85 85 LYS H H 85 8.009 8.009 8.164 -0.155 19221 17634 1 18 . 1 1 86 86 PHE N N 86 118.590 118.590 121.805 -3.215 19221 17635 1 18 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.048 -0.212 19221 17636 1 18 . 1 1 86 86 PHE C C 86 175.649 175.649 176.548 -0.899 19221 17637 1 18 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.729 0.681 19221 17638 1 18 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.947 1.133 19221 17639 1 18 . 1 1 86 86 PHE H H 86 8.331 8.331 8.854 -0.523 19221 17640 1 18 . 1 1 87 87 ASP N N 87 117.790 117.790 119.151 -1.361 19221 17641 1 18 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.084 0.114 19221 17642 1 18 . 1 1 87 87 ASP C C 87 178.542 178.542 178.527 0.015 19221 17643 1 18 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.622 0.218 19221 17644 1 18 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.618 1.272 19221 17645 1 18 . 1 1 87 87 ASP H H 87 8.560 8.560 8.624 -0.064 19221 17646 1 18 . 1 1 88 88 SER N N 88 112.940 112.940 115.583 -2.643 19221 17647 1 18 . 1 1 88 88 SER HA H 88 4.153 4.153 4.198 -0.045 19221 17648 1 18 . 1 1 88 88 SER C C 88 176.823 176.823 175.802 1.021 19221 17649 1 18 . 1 1 88 88 SER CA C 88 61.590 61.590 61.700 -0.111 19221 17650 1 18 . 1 1 88 88 SER CB C 88 63.085 63.085 63.134 -0.049 19221 17651 1 18 . 1 1 88 88 SER H H 88 7.757 7.757 8.162 -0.405 19221 17652 1 18 . 1 1 89 89 LEU N N 89 121.710 121.710 121.874 -0.164 19221 17653 1 18 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.123 0.045 19221 17654 1 18 . 1 1 89 89 LEU C C 89 180.006 180.006 177.896 2.110 19221 17655 1 18 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.727 0.103 19221 17656 1 18 . 1 1 89 89 LEU CB C 89 43.380 43.380 41.953 1.427 19221 17657 1 18 . 1 1 89 89 LEU H H 89 8.173 8.173 7.331 0.842 19221 17658 1 18 . 1 1 90 90 ILE N N 90 119.830 119.830 120.817 -0.987 19221 17659 1 18 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.356 0.189 19221 17660 1 18 . 1 1 90 90 ILE C C 90 177.083 177.083 178.447 -1.364 19221 17661 1 18 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.676 -1.766 19221 17662 1 18 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.452 -0.372 19221 17663 1 18 . 1 1 90 90 ILE H H 90 8.424 8.424 8.358 0.066 19221 17664 1 18 . 1 1 91 91 LYS N N 91 117.980 117.980 117.770 0.210 19221 17665 1 18 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.941 -0.040 19221 17666 1 18 . 1 1 91 91 LYS C C 91 178.803 178.803 178.151 0.652 19221 17667 1 18 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.170 0.340 19221 17668 1 18 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.280 0.480 19221 17669 1 18 . 1 1 91 91 LYS H H 91 7.569 7.569 8.091 -0.522 19221 17670 1 18 . 1 1 92 92 VAL N N 92 115.450 115.450 118.415 -2.965 19221 17671 1 18 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.941 -0.013 19221 17672 1 18 . 1 1 92 92 VAL C C 92 177.767 177.767 177.447 0.320 19221 17673 1 18 . 1 1 92 92 VAL CA C 92 64.550 64.550 65.330 -0.780 19221 17674 1 18 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.866 -0.076 19221 17675 1 18 . 1 1 92 92 VAL H H 92 7.432 7.432 7.641 -0.209 19221 17676 1 18 . 1 1 93 93 GLN N N 93 117.250 117.250 119.627 -2.377 19221 17677 1 18 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.984 0.013 19221 17678 1 18 . 1 1 93 93 GLN C C 93 178.756 178.756 178.925 -0.169 19221 17679 1 18 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.011 -0.451 19221 17680 1 18 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.435 0.235 19221 17681 1 18 . 1 1 93 93 GLN H H 93 8.127 8.127 8.534 -0.407 19221 17682 1 18 . 1 1 94 94 ILE N N 94 118.013 118.013 119.815 -1.802 19221 17683 1 18 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.699 -0.059 19221 17684 1 18 . 1 1 94 94 ILE C C 94 176.252 176.252 178.774 -2.522 19221 17685 1 18 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.455 1.525 19221 17686 1 18 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.819 0.311 19221 17687 1 18 . 1 1 94 94 ILE H H 94 8.390 8.390 7.727 0.663 19221 17688 1 18 . 1 1 95 95 SER N N 95 112.220 112.220 116.475 -4.255 19221 17689 1 18 . 1 1 95 95 SER HA H 95 4.158 4.158 4.112 0.046 19221 17690 1 18 . 1 1 95 95 SER C C 95 174.893 174.893 175.892 -0.999 19221 17691 1 18 . 1 1 95 95 SER CA C 95 59.890 59.890 61.096 -1.206 19221 17692 1 18 . 1 1 95 95 SER CB C 95 63.170 63.170 62.971 0.199 19221 17693 1 18 . 1 1 95 95 SER H H 95 7.227 7.227 8.002 -0.775 19221 17694 1 18 . 1 1 96 96 LYS N N 96 119.000 119.000 118.448 0.552 19221 17695 1 18 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.159 0.166 19221 17696 1 18 . 1 1 96 96 LYS C C 96 175.903 175.903 176.120 -0.217 19221 17697 1 18 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.159 -0.559 19221 17698 1 18 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.134 0.806 19221 17699 1 18 . 1 1 96 96 LYS H H 96 7.250 7.250 7.705 -0.455 19221 17700 1 18 . 1 1 97 97 ILE N N 97 120.530 120.530 120.713 -0.183 19221 17701 1 18 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.552 0.047 19221 17702 1 18 . 1 1 97 97 ILE C C 97 173.784 173.784 174.174 -0.390 19221 17703 1 18 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.813 -0.401 19221 17704 1 18 . 1 1 97 97 ILE CB C 97 37.560 37.560 39.851 -2.291 19221 17705 1 18 . 1 1 97 97 ILE H H 97 7.713 7.713 7.336 0.377 19221 17706 1 18 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.237 0.056 19221 17707 1 18 . 1 1 98 98 PRO C C 98 178.885 178.885 178.205 0.680 19221 17708 1 18 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.778 0.542 19221 17709 1 18 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.063 0.207 19221 17710 1 18 . 1 1 99 99 ILE N N 99 115.600 115.600 117.899 -2.299 19221 17711 1 18 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.795 0.497 19221 17712 1 18 . 1 1 99 99 ILE C C 99 177.025 177.025 177.296 -0.271 19221 17713 1 18 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.293 -0.513 19221 17714 1 18 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.967 0.113 19221 17715 1 18 . 1 1 99 99 ILE H H 99 8.552 8.552 7.847 0.705 19221 17716 1 18 . 1 1 100 100 LEU N N 100 119.430 119.430 120.618 -1.188 19221 17717 1 18 . 1 1 100 100 LEU HA H 100 4.223 4.223 3.887 0.336 19221 17718 1 18 . 1 1 100 100 LEU C C 100 178.223 178.223 178.893 -0.670 19221 17719 1 18 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.984 -0.874 19221 17720 1 18 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.145 1.075 19221 17721 1 18 . 1 1 100 100 LEU H H 100 7.404 7.404 7.515 -0.111 19221 17722 1 18 . 1 1 101 101 ALA N N 101 121.390 121.390 121.034 0.356 19221 17723 1 18 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.849 0.068 19221 17724 1 18 . 1 1 101 101 ALA C C 101 181.827 181.827 180.120 1.707 19221 17725 1 18 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.837 0.572 19221 17726 1 18 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.073 -0.123 19221 17727 1 18 . 1 1 101 101 ALA H H 101 7.839 7.839 8.076 -0.237 19221 17728 1 18 . 1 1 102 102 GLN N N 102 115.470 115.470 116.295 -0.825 19221 17729 1 18 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.100 -0.023 19221 17730 1 18 . 1 1 102 102 GLN C C 102 176.572 176.572 176.864 -0.292 19221 17731 1 18 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.758 -0.178 19221 17732 1 18 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.200 -0.570 19221 17733 1 18 . 1 1 102 102 GLN H H 102 8.276 8.276 7.698 0.578 19221 17734 1 18 . 1 1 103 103 HIS N N 103 115.980 115.980 112.690 3.290 19221 17735 1 18 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.522 0.602 19221 17736 1 18 . 1 1 103 103 HIS C C 103 175.326 175.326 174.209 1.117 19221 17737 1 18 . 1 1 103 103 HIS CA C 103 56.350 56.350 53.946 2.404 19221 17738 1 18 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.260 1.730 19221 17739 1 18 . 1 1 103 103 HIS H H 103 7.450 7.450 7.602 -0.152 19221 17740 1 18 . 1 1 104 104 GLU N N 104 122.920 122.920 122.405 0.515 19221 17741 1 18 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.738 0.075 19221 17742 1 18 . 1 1 104 104 GLU C C 104 177.960 177.960 177.611 0.349 19221 17743 1 18 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.261 1.249 19221 17744 1 18 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.203 0.298 19221 17745 1 18 . 1 1 104 104 GLU H H 104 7.332 7.332 7.516 -0.184 19221 17746 1 18 . 1 1 105 105 SER N N 105 113.180 113.180 115.083 -1.903 19221 17747 1 18 . 1 1 105 105 SER HA H 105 4.234 4.234 4.312 -0.078 19221 17748 1 18 . 1 1 105 105 SER C C 105 177.512 177.512 176.956 0.556 19221 17749 1 18 . 1 1 105 105 SER CA C 105 62.100 62.100 61.056 1.044 19221 17750 1 18 . 1 1 105 105 SER CB C 105 62.100 62.100 62.837 -0.737 19221 17751 1 18 . 1 1 105 105 SER H H 105 8.931 8.931 8.485 0.446 19221 17752 1 18 . 1 1 106 106 PHE N N 106 123.770 123.770 120.967 2.803 19221 17753 1 18 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.446 -0.019 19221 17754 1 18 . 1 1 106 106 PHE C C 106 178.007 178.007 178.046 -0.039 19221 17755 1 18 . 1 1 106 106 PHE CA C 106 61.390 61.390 59.163 2.227 19221 17756 1 18 . 1 1 106 106 PHE CB C 106 39.130 39.130 37.934 1.196 19221 17757 1 18 . 1 1 106 106 PHE H H 106 8.040 8.040 7.834 0.206 19221 17758 1 18 . 1 1 107 107 LEU N N 107 121.397 121.397 119.527 1.870 19221 17759 1 18 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.031 -0.025 19221 17760 1 18 . 1 1 107 107 LEU C C 107 178.165 178.165 178.960 -0.795 19221 17761 1 18 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.190 0.090 19221 17762 1 18 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.402 0.767 19221 17763 1 18 . 1 1 107 107 LEU H H 107 8.481 8.481 7.504 0.977 19221 17764 1 18 . 1 1 108 108 ARG N N 108 117.450 117.450 119.127 -1.677 19221 17765 1 18 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.050 0.089 19221 17766 1 18 . 1 1 108 108 ARG C C 108 178.343 178.343 178.280 0.063 19221 17767 1 18 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.922 -0.342 19221 17768 1 18 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.799 -0.629 19221 17769 1 18 . 1 1 108 108 ARG H H 108 8.480 8.480 8.614 -0.134 19221 17770 1 18 . 1 1 109 109 GLN N N 109 119.098 119.098 119.779 -0.681 19221 17771 1 18 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.104 -0.029 19221 17772 1 18 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.023 0.272 19221 17773 1 18 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.676 0.832 19221 17774 1 18 . 1 1 109 109 GLN H H 109 7.886 7.886 8.298 -0.412 19221 17775 1 18 . 1 1 110 110 LYS N N 110 121.110 121.110 120.851 0.259 19221 17776 1 18 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.189 -0.201 19221 17777 1 18 . 1 1 110 110 LYS C C 110 178.368 178.368 178.908 -0.540 19221 17778 1 18 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.849 2.701 19221 17779 1 18 . 1 1 110 110 LYS CB C 110 30.260 30.260 32.108 -1.847 19221 17780 1 18 . 1 1 110 110 LYS H H 110 8.356 8.356 8.164 0.192 19221 17781 1 18 . 1 1 111 111 ILE N N 111 116.870 116.870 121.000 -4.130 19221 17782 1 18 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.784 0.114 19221 17783 1 18 . 1 1 111 111 ILE C C 111 178.036 178.036 177.225 0.811 19221 17784 1 18 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.485 0.616 19221 17785 1 18 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.591 -0.676 19221 17786 1 18 . 1 1 111 111 ILE H H 111 7.848 7.848 8.264 -0.416 19221 17787 1 18 . 1 1 112 112 CYS N N 112 123.990 123.990 118.885 5.105 19221 17788 1 18 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.064 0.017 19221 17789 1 18 . 1 1 112 112 CYS C C 112 176.276 176.276 176.587 -0.311 19221 17790 1 18 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.098 1.302 19221 17791 1 18 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.328 0.042 19221 17792 1 18 . 1 1 112 112 CYS H H 112 7.473 7.473 7.273 0.200 19221 17793 1 18 . 1 1 113 113 LEU N N 113 120.218 120.218 121.028 -0.810 19221 17794 1 18 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.803 0.040 19221 17795 1 18 . 1 1 113 113 LEU C C 113 178.584 178.584 179.087 -0.503 19221 17796 1 18 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.498 0.022 19221 17797 1 18 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.807 0.743 19221 17798 1 18 . 1 1 113 113 LEU H H 113 8.443 8.443 8.677 -0.234 19221 17799 1 18 . 1 1 114 114 MET N N 114 116.910 116.910 118.125 -1.215 19221 17800 1 18 . 1 1 114 114 MET HA H 114 3.952 3.952 4.463 -0.511 19221 17801 1 18 . 1 1 114 114 MET C C 114 178.724 178.724 178.302 0.422 19221 17802 1 18 . 1 1 114 114 MET CA C 114 60.070 60.070 58.849 1.221 19221 17803 1 18 . 1 1 114 114 MET CB C 114 32.910 32.910 32.610 0.300 19221 17804 1 18 . 1 1 114 114 MET H H 114 8.840 8.840 8.590 0.250 19221 17805 1 18 . 1 1 115 115 THR N N 115 115.670 115.670 117.148 -1.478 19221 17806 1 18 . 1 1 115 115 THR HA H 115 4.083 4.083 4.032 0.051 19221 17807 1 18 . 1 1 115 115 THR C C 115 177.434 177.434 176.435 0.999 19221 17808 1 18 . 1 1 115 115 THR CA C 115 66.740 66.740 67.591 -0.851 19221 17809 1 18 . 1 1 115 115 THR CB C 115 68.630 68.630 68.360 0.270 19221 17810 1 18 . 1 1 115 115 THR H H 115 8.095 8.095 7.969 0.126 19221 17811 1 18 . 1 1 116 116 LEU N N 116 125.420 125.420 123.419 2.001 19221 17812 1 18 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.114 -0.259 19221 17813 1 18 . 1 1 116 116 LEU C C 116 176.903 176.903 177.792 -0.889 19221 17814 1 18 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.261 0.674 19221 17815 1 18 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.625 0.051 19221 17816 1 18 . 1 1 116 116 LEU H H 116 8.164 8.164 7.614 0.550 19221 17817 1 18 . 1 1 117 117 ILE N N 117 114.740 114.740 119.645 -4.905 19221 17818 1 18 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.575 0.044 19221 17819 1 18 . 1 1 117 117 ILE C C 117 177.806 177.806 178.131 -0.325 19221 17820 1 18 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.828 -1.238 19221 17821 1 18 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.707 -1.347 19221 17822 1 18 . 1 1 117 117 ILE H H 117 8.032 8.032 7.608 0.424 19221 17823 1 18 . 1 1 118 118 GLU N N 118 121.200 121.200 120.747 0.453 19221 17824 1 18 . 1 1 118 118 GLU HA H 118 4.200 4.200 3.997 0.203 19221 17825 1 18 . 1 1 118 118 GLU C C 118 178.314 178.314 178.816 -0.502 19221 17826 1 18 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.771 0.209 19221 17827 1 18 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.227 0.153 19221 17828 1 18 . 1 1 118 118 GLU H H 118 8.176 8.176 8.761 -0.585 19221 17829 1 18 . 1 1 119 119 THR N N 119 114.460 114.460 117.575 -3.115 19221 17830 1 18 . 1 1 119 119 THR HA H 119 3.917 3.917 3.979 -0.062 19221 17831 1 18 . 1 1 119 119 THR C C 119 175.551 175.551 176.994 -1.443 19221 17832 1 18 . 1 1 119 119 THR CA C 119 67.470 67.470 67.296 0.173 19221 17833 1 18 . 1 1 119 119 THR CB C 119 69.110 69.110 68.772 0.338 19221 17834 1 18 . 1 1 119 119 THR H H 119 8.008 8.008 7.934 0.074 19221 17835 1 18 . 1 1 120 120 VAL N N 120 118.050 118.050 121.847 -3.797 19221 17836 1 18 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.630 -0.010 19221 17837 1 18 . 1 1 120 120 VAL C C 120 178.213 178.213 177.902 0.311 19221 17838 1 18 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.678 -0.658 19221 17839 1 18 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.606 0.224 19221 17840 1 18 . 1 1 120 120 VAL H H 120 7.800 7.800 8.415 -0.615 19221 17841 1 18 . 1 1 121 121 PHE N N 121 118.360 118.360 120.556 -2.196 19221 17842 1 18 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.216 0.004 19221 17843 1 18 . 1 1 121 121 PHE C C 121 178.739 178.739 177.967 0.772 19221 17844 1 18 . 1 1 121 121 PHE CA C 121 61.540 61.540 62.024 -0.484 19221 17845 1 18 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.418 0.712 19221 17846 1 18 . 1 1 121 121 PHE H H 121 8.370 8.370 8.258 0.112 19221 17847 1 18 . 1 1 122 122 VAL N N 122 118.710 118.710 117.353 1.357 19221 17848 1 18 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.847 -0.222 19221 17849 1 18 . 1 1 122 122 VAL C C 122 178.247 178.247 177.306 0.941 19221 17850 1 18 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.755 0.095 19221 17851 1 18 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.256 0.625 19221 17852 1 18 . 1 1 122 122 VAL H H 122 8.959 8.959 8.775 0.184 19221 17853 1 18 . 1 1 123 123 LYS N N 123 115.960 115.960 117.770 -1.810 19221 17854 1 18 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.322 -0.006 19221 17855 1 18 . 1 1 123 123 LYS C C 123 176.148 176.148 175.800 0.348 19221 17856 1 18 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.825 0.705 19221 17857 1 18 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.082 -0.052 19221 17858 1 18 . 1 1 123 123 LYS H H 123 7.688 7.688 8.041 -0.353 19221 17859 1 18 . 1 1 124 124 ASN N N 124 117.440 117.440 116.384 1.056 19221 17860 1 18 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.389 -0.045 19221 17861 1 18 . 1 1 124 124 ASN C C 124 174.205 174.205 174.293 -0.088 19221 17862 1 18 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.626 0.294 19221 17863 1 18 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.597 -0.527 19221 17864 1 18 . 1 1 124 124 ASN H H 124 7.560 7.560 7.596 -0.036 19221 17865 1 18 . 1 1 125 125 ILE N N 125 116.780 116.780 117.295 -0.515 19221 17866 1 18 . 1 1 125 125 ILE HA H 125 4.110 4.110 3.996 0.114 19221 17867 1 18 . 1 1 125 125 ILE C C 125 175.909 175.909 176.259 -0.350 19221 17868 1 18 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.619 -1.049 19221 17869 1 18 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.166 1.804 19221 17870 1 18 . 1 1 125 125 ILE H H 125 7.658 7.658 7.374 0.284 19221 17871 1 18 . 1 1 126 126 ARG N N 126 122.400 122.400 123.286 -0.886 19221 17872 1 18 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.508 0.123 19221 17873 1 18 . 1 1 126 126 ARG C C 126 175.296 175.296 175.295 0.001 19221 17874 1 18 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.716 -0.506 19221 17875 1 18 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.797 -0.580 19221 17876 1 18 . 1 1 126 126 ARG H H 126 8.658 8.658 8.621 0.037 19221 17877 1 18 . 1 1 127 127 MET N N 127 119.870 119.870 119.524 0.346 19221 17878 1 18 . 1 1 127 127 MET HA H 127 5.412 5.412 5.231 0.181 19221 17879 1 18 . 1 1 127 127 MET C C 127 174.169 174.169 173.797 0.372 19221 17880 1 18 . 1 1 127 127 MET CA C 127 55.130 55.130 54.508 0.622 19221 17881 1 18 . 1 1 127 127 MET CB C 127 35.300 35.300 35.335 -0.035 19221 17882 1 18 . 1 1 127 127 MET H H 127 7.487 7.487 7.697 -0.210 19221 17883 1 18 . 1 1 128 128 LEU N N 128 124.940 124.940 125.419 -0.479 19221 17884 1 18 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.941 -0.051 19221 17885 1 18 . 1 1 128 128 LEU C C 128 174.857 174.857 174.513 0.344 19221 17886 1 18 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.372 0.798 19221 17887 1 18 . 1 1 128 128 LEU CB C 128 46.090 46.090 46.992 -0.902 19221 17888 1 18 . 1 1 128 128 LEU H H 128 8.961 8.961 8.735 0.226 19221 17889 1 18 . 1 1 129 129 SER N N 129 119.080 119.080 117.615 1.465 19221 17890 1 18 . 1 1 129 129 SER HA H 129 5.503 5.503 4.964 0.539 19221 17891 1 18 . 1 1 129 129 SER C C 129 176.225 176.225 175.960 0.265 19221 17892 1 18 . 1 1 129 129 SER CA C 129 56.630 56.630 57.630 -1.000 19221 17893 1 18 . 1 1 129 129 SER CB C 129 66.030 66.030 64.623 1.407 19221 17894 1 18 . 1 1 129 129 SER H H 129 9.512 9.512 8.249 1.263 19221 17895 1 18 . 1 1 130 130 PHE N N 130 120.530 120.530 122.286 -1.756 19221 17896 1 18 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.117 0.323 19221 17897 1 18 . 1 1 130 130 PHE C C 130 179.046 179.046 177.862 1.184 19221 17898 1 18 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.788 -1.058 19221 17899 1 18 . 1 1 130 130 PHE CB C 130 36.520 36.520 37.833 -1.313 19221 17900 1 18 . 1 1 130 130 PHE H H 130 8.712 8.712 9.212 -0.500 19221 17901 1 18 . 1 1 131 131 GLU N N 131 121.180 121.180 120.118 1.062 19221 17902 1 18 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.830 0.195 19221 17903 1 18 . 1 1 131 131 GLU C C 131 178.039 178.039 178.004 0.035 19221 17904 1 18 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.141 -0.271 19221 17905 1 18 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.408 0.062 19221 17906 1 18 . 1 1 131 131 GLU H H 131 8.961 8.961 8.587 0.374 19221 17907 1 18 . 1 1 132 132 ASP N N 132 120.930 120.930 119.545 1.385 19221 17908 1 18 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.493 -0.096 19221 17909 1 18 . 1 1 132 132 ASP C C 132 180.369 180.369 178.788 1.581 19221 17910 1 18 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.050 0.640 19221 17911 1 18 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.920 -0.180 19221 17912 1 18 . 1 1 132 132 ASP H H 132 8.369 8.369 7.820 0.549 19221 17913 1 18 . 1 1 133 133 ILE N N 133 120.360 120.360 120.210 0.150 19221 17914 1 18 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.642 -0.133 19221 17915 1 18 . 1 1 133 133 ILE C C 133 178.895 178.895 178.053 0.842 19221 17916 1 18 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.252 1.028 19221 17917 1 18 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.885 -0.355 19221 17918 1 18 . 1 1 133 133 ILE H H 133 8.062 8.062 8.312 -0.250 19221 17919 1 18 . 1 1 134 134 SER N N 134 120.050 120.050 116.709 3.341 19221 17920 1 18 . 1 1 134 134 SER HA H 134 4.074 4.074 4.220 -0.146 19221 17921 1 18 . 1 1 134 134 SER C C 134 176.934 176.934 176.248 0.686 19221 17922 1 18 . 1 1 134 134 SER CA C 134 61.240 61.240 61.358 -0.118 19221 17923 1 18 . 1 1 134 134 SER CB C 134 63.400 63.400 62.956 0.444 19221 17924 1 18 . 1 1 134 134 SER H H 134 8.823 8.823 8.357 0.466 19221 17925 1 18 . 1 1 135 135 LYS N N 135 119.060 119.060 121.161 -2.101 19221 17926 1 18 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.928 0.002 19221 17927 1 18 . 1 1 135 135 LYS C C 135 178.986 178.986 178.734 0.252 19221 17928 1 18 . 1 1 135 135 LYS CA C 135 59.270 59.270 59.148 0.122 19221 17929 1 18 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.397 0.073 19221 17930 1 18 . 1 1 135 135 LYS H H 135 8.258 8.258 7.977 0.281 19221 17931 1 18 . 1 1 136 136 ALA N N 136 118.350 118.350 120.574 -2.224 19221 17932 1 18 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.218 -0.016 19221 17933 1 18 . 1 1 136 136 ALA C C 136 178.653 178.653 179.200 -0.547 19221 17934 1 18 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.468 0.012 19221 17935 1 18 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.032 -0.191 19221 17936 1 18 . 1 1 136 136 ALA H H 136 7.538 7.538 7.745 -0.207 19221 17937 1 18 . 1 1 137 137 THR N N 137 101.770 101.770 110.160 -8.390 19221 17938 1 18 . 1 1 137 137 THR HA H 137 4.274 4.274 4.160 0.114 19221 17939 1 18 . 1 1 137 137 THR C C 137 172.932 172.932 175.555 -2.623 19221 17940 1 18 . 1 1 137 137 THR CA C 137 61.990 61.990 63.480 -1.490 19221 17941 1 18 . 1 1 137 137 THR CB C 137 71.200 71.200 70.207 0.993 19221 17942 1 18 . 1 1 137 137 THR H H 137 7.777 7.777 8.089 -0.312 19221 17943 1 18 . 1 1 138 138 HIS N N 138 113.660 113.660 118.150 -4.490 19221 17944 1 18 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.231 -0.272 19221 17945 1 18 . 1 1 138 138 HIS C C 138 173.700 173.700 173.798 -0.098 19221 17946 1 18 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.889 -1.559 19221 17947 1 18 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.619 -2.209 19221 17948 1 18 . 1 1 138 138 HIS H H 138 7.567 7.567 8.013 -0.446 19221 17949 1 18 . 1 1 139 139 LEU N N 139 120.070 120.070 121.027 -0.957 19221 17950 1 18 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.768 0.075 19221 17951 1 18 . 1 1 139 139 LEU C C 139 174.376 174.376 175.158 -0.782 19221 17952 1 18 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.372 -0.502 19221 17953 1 18 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.546 2.204 19221 17954 1 18 . 1 1 139 139 LEU H H 139 7.513 7.513 7.495 0.018 19221 17955 1 18 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.592 -0.201 19221 17956 1 18 . 1 1 140 140 PRO C C 140 177.985 177.985 178.072 -0.087 19221 17957 1 18 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.334 0.056 19221 17958 1 18 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.557 -0.487 19221 17959 1 18 . 1 1 141 141 LYS N N 141 123.930 123.930 120.548 3.382 19221 17960 1 18 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.782 0.037 19221 17961 1 18 . 1 1 141 141 LYS C C 141 178.083 178.083 178.133 -0.050 19221 17962 1 18 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.371 0.459 19221 17963 1 18 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.116 -0.226 19221 17964 1 18 . 1 1 141 141 LYS H H 141 8.950 8.950 8.494 0.456 19221 17965 1 18 . 1 1 142 142 ASP N N 142 114.510 114.510 114.715 -0.205 19221 17966 1 18 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.501 -0.006 19221 17967 1 18 . 1 1 142 142 ASP C C 142 176.656 176.656 176.666 -0.010 19221 17968 1 18 . 1 1 142 142 ASP CA C 142 55.590 55.590 55.811 -0.221 19221 17969 1 18 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.809 -1.069 19221 17970 1 18 . 1 1 142 142 ASP H H 142 8.491 8.491 8.199 0.292 19221 17971 1 18 . 1 1 143 143 ASN N N 143 116.400 116.400 116.011 0.389 19221 17972 1 18 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.738 0.328 19221 17973 1 18 . 1 1 143 143 ASN C C 143 175.954 175.954 176.553 -0.599 19221 17974 1 18 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.724 -0.503 19221 17975 1 18 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.912 0.038 19221 17976 1 18 . 1 1 143 143 ASN H H 143 8.191 8.191 7.969 0.222 19221 17977 1 18 . 1 1 144 144 VAL N N 144 120.490 120.490 122.329 -1.839 19221 17978 1 18 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.641 -0.318 19221 17979 1 18 . 1 1 144 144 VAL C C 144 176.423 176.423 176.046 0.377 19221 17980 1 18 . 1 1 144 144 VAL CA C 144 66.990 66.990 64.972 2.018 19221 17981 1 18 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.418 0.022 19221 17982 1 18 . 1 1 144 144 VAL H H 144 7.472 7.472 8.270 -0.798 19221 17983 1 18 . 1 1 145 145 GLU N N 145 122.340 122.340 119.149 3.191 19221 17984 1 18 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.491 -0.230 19221 17985 1 18 . 1 1 145 145 GLU C C 145 177.853 177.853 178.185 -0.332 19221 17986 1 18 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.267 1.563 19221 17987 1 18 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.421 0.389 19221 17988 1 18 . 1 1 145 145 GLU H H 145 9.141 9.141 7.943 1.198 19221 17989 1 18 . 1 1 146 146 HIS N N 146 116.970 116.970 118.137 -1.167 19221 17990 1 18 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.425 -0.251 19221 17991 1 18 . 1 1 146 146 HIS C C 146 177.947 177.947 177.683 0.264 19221 17992 1 18 . 1 1 146 146 HIS CA C 146 59.540 59.540 57.937 1.603 19221 17993 1 18 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.544 0.906 19221 17994 1 18 . 1 1 146 146 HIS H H 146 8.162 8.162 7.510 0.652 19221 17995 1 18 . 1 1 147 147 LEU N N 147 120.670 120.670 120.696 -0.026 19221 17996 1 18 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.165 -0.205 19221 17997 1 18 . 1 1 147 147 LEU C C 147 178.427 178.427 178.641 -0.214 19221 17998 1 18 . 1 1 147 147 LEU CA C 147 58.270 58.270 57.931 0.339 19221 17999 1 18 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.442 0.294 19221 18000 1 18 . 1 1 147 147 LEU H H 147 7.336 7.336 7.433 -0.097 19221 18001 1 18 . 1 1 148 148 VAL N N 148 118.060 118.060 116.304 1.756 19221 18002 1 18 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.688 -0.465 19221 18003 1 18 . 1 1 148 148 VAL C C 148 177.801 177.801 177.882 -0.081 19221 18004 1 18 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.874 1.087 19221 18005 1 18 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.201 -0.191 19221 18006 1 18 . 1 1 148 148 VAL H H 148 8.172 8.172 7.680 0.492 19221 18007 1 18 . 1 1 149 149 MET N N 149 117.770 117.770 119.570 -1.800 19221 18008 1 18 . 1 1 149 149 MET HA H 149 4.123 4.123 4.074 0.049 19221 18009 1 18 . 1 1 149 149 MET C C 149 179.823 179.823 178.664 1.159 19221 18010 1 18 . 1 1 149 149 MET CA C 149 58.630 58.630 59.385 -0.755 19221 18011 1 18 . 1 1 149 149 MET CB C 149 31.496 31.496 32.034 -0.538 19221 18012 1 18 . 1 1 149 149 MET H H 149 8.585 8.585 8.492 0.093 19221 18013 1 18 . 1 1 150 150 ARG N N 150 121.900 121.900 119.868 2.032 19221 18014 1 18 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.019 0.075 19221 18015 1 18 . 1 1 150 150 ARG C C 150 177.928 177.928 178.199 -0.271 19221 18016 1 18 . 1 1 150 150 ARG CA C 150 58.150 58.150 58.940 -0.790 19221 18017 1 18 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.624 -0.874 19221 18018 1 18 . 1 1 150 150 ARG H H 150 8.160 8.160 8.195 -0.035 19221 18019 1 18 . 1 1 151 151 ALA N N 151 121.710 121.710 122.220 -0.510 19221 18020 1 18 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.990 -0.192 19221 18021 1 18 . 1 1 151 151 ALA C C 151 179.518 179.518 179.850 -0.332 19221 18022 1 18 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.094 0.646 19221 18023 1 18 . 1 1 151 151 ALA CB C 151 17.890 17.890 17.979 -0.089 19221 18024 1 18 . 1 1 151 151 ALA H H 151 8.165 8.165 7.610 0.555 19221 18025 1 18 . 1 1 152 152 ILE N N 152 118.590 118.590 117.921 0.669 19221 18026 1 18 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.733 0.649 19221 18027 1 18 . 1 1 152 152 ILE C C 152 181.439 181.439 178.360 3.079 19221 18028 1 18 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.512 0.048 19221 18029 1 18 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.963 0.737 19221 18030 1 18 . 1 1 152 152 ILE H H 152 8.331 8.331 7.824 0.507 19221 18031 1 18 . 1 1 153 153 SER N N 153 120.250 120.250 115.661 4.589 19221 18032 1 18 . 1 1 153 153 SER HA H 153 4.279 4.279 4.196 0.083 19221 18033 1 18 . 1 1 153 153 SER C C 153 176.745 176.745 176.218 0.527 19221 18034 1 18 . 1 1 153 153 SER CA C 153 62.040 62.040 61.580 0.460 19221 18035 1 18 . 1 1 153 153 SER CB C 153 62.930 62.930 63.142 -0.212 19221 18036 1 18 . 1 1 153 153 SER H H 153 8.756 8.756 7.919 0.837 19221 18037 1 18 . 1 1 154 154 LEU N N 154 119.480 119.480 117.892 1.588 19221 18038 1 18 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.200 0.145 19221 18039 1 18 . 1 1 154 154 LEU C C 154 177.351 177.351 177.595 -0.244 19221 18040 1 18 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.619 -0.164 19221 18041 1 18 . 1 1 154 154 LEU CB C 154 44.000 44.000 42.053 1.947 19221 18042 1 18 . 1 1 154 154 LEU H H 154 8.129 8.129 8.039 0.090 19221 18043 1 18 . 1 1 155 155 GLY N N 155 106.990 106.990 106.731 0.259 19221 18044 1 18 . 1 1 155 155 GLY C C 155 174.867 174.867 175.601 -0.734 19221 18045 1 18 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.144 -0.344 19221 18046 1 18 . 1 1 155 155 GLY H H 155 8.023 8.023 7.644 0.379 19221 18047 1 18 . 1 1 156 156 LEU N N 156 116.510 116.510 117.844 -1.334 19221 18048 1 18 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.332 -0.072 19221 18049 1 18 . 1 1 156 156 LEU C C 156 175.387 175.387 176.745 -1.358 19221 18050 1 18 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.049 -0.119 19221 18051 1 18 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.107 1.113 19221 18052 1 18 . 1 1 156 156 LEU H H 156 8.101 8.101 7.674 0.427 19221 18053 1 18 . 1 1 157 157 LEU N N 157 112.790 112.790 111.165 1.625 19221 18054 1 18 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.010 -0.010 19221 18055 1 18 . 1 1 157 157 LEU C C 157 175.382 175.382 175.358 0.024 19221 18056 1 18 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.169 0.471 19221 18057 1 18 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.453 1.107 19221 18058 1 18 . 1 1 157 157 LEU H H 157 7.194 7.194 7.322 -0.128 19221 18059 1 18 . 1 1 158 158 LYS N N 158 121.010 121.010 121.222 -0.212 19221 18060 1 18 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.800 -0.005 19221 18061 1 18 . 1 1 158 158 LYS C C 158 175.461 175.461 175.380 0.081 19221 18062 1 18 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.651 0.409 19221 18063 1 18 . 1 1 158 158 LYS CB C 158 36.190 36.190 34.241 1.949 19221 18064 1 18 . 1 1 158 158 LYS H H 158 9.056 9.056 8.895 0.162 19221 18065 1 18 . 1 1 159 159 GLY N N 159 109.800 109.800 111.143 -1.343 19221 18066 1 18 . 1 1 159 159 GLY C C 159 170.992 170.992 172.975 -1.983 19221 18067 1 18 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.332 0.808 19221 18068 1 18 . 1 1 159 159 GLY H H 159 8.287 8.287 8.081 0.206 19221 18069 1 18 . 1 1 160 160 SER N N 160 112.940 112.940 114.759 -1.819 19221 18070 1 18 . 1 1 160 160 SER HA H 160 4.780 4.780 4.742 0.038 19221 18071 1 18 . 1 1 160 160 SER C C 160 172.525 172.525 173.282 -0.757 19221 18072 1 18 . 1 1 160 160 SER CA C 160 56.840 56.840 57.506 -0.666 19221 18073 1 18 . 1 1 160 160 SER CB C 160 65.660 65.660 66.088 -0.428 19221 18074 1 18 . 1 1 160 160 SER H H 160 8.847 8.847 8.828 0.019 19221 18075 1 18 . 1 1 161 161 ILE N N 161 123.020 123.020 123.686 -0.666 19221 18076 1 18 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.269 0.137 19221 18077 1 18 . 1 1 161 161 ILE C C 161 174.457 174.457 176.095 -1.638 19221 18078 1 18 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.066 0.353 19221 18079 1 18 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.742 1.486 19221 18080 1 18 . 1 1 161 161 ILE H H 161 8.867 8.867 8.678 0.189 19221 18081 1 18 . 1 1 162 162 ASP N N 162 128.130 128.130 128.525 -0.395 19221 18082 1 18 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.856 0.060 19221 18083 1 18 . 1 1 162 162 ASP C C 162 176.575 176.575 176.254 0.321 19221 18084 1 18 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.474 -0.734 19221 18085 1 18 . 1 1 162 162 ASP CB C 162 41.140 41.140 41.063 0.077 19221 18086 1 18 . 1 1 162 162 ASP H H 162 8.955 8.955 8.679 0.276 19221 18087 1 18 . 1 1 163 163 GLN N N 163 123.480 123.480 123.751 -0.271 19221 18088 1 18 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.084 -0.231 19221 18089 1 18 . 1 1 163 163 GLN C C 163 177.627 177.627 177.278 0.349 19221 18090 1 18 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.748 0.462 19221 18091 1 18 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.767 0.153 19221 18092 1 18 . 1 1 163 163 GLN H H 163 8.982 8.982 8.801 0.181 19221 18093 1 18 . 1 1 164 164 VAL N N 164 119.220 119.220 118.644 0.576 19221 18094 1 18 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.720 -0.037 19221 18095 1 18 . 1 1 164 164 VAL C C 164 177.519 177.519 177.701 -0.182 19221 18096 1 18 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.761 1.009 19221 18097 1 18 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.548 0.382 19221 18098 1 18 . 1 1 164 164 VAL H H 164 7.974 7.974 7.901 0.073 19221 18099 1 18 . 1 1 165 165 ASN N N 165 114.430 114.430 116.863 -2.433 19221 18100 1 18 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.585 0.016 19221 18101 1 18 . 1 1 165 165 ASN C C 165 172.795 172.795 174.827 -2.032 19221 18102 1 18 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.817 -0.917 19221 18103 1 18 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.161 -0.331 19221 18104 1 18 . 1 1 165 165 ASN H H 165 7.502 7.502 8.192 -0.690 19221 18105 1 18 . 1 1 166 166 GLU N N 166 116.970 116.970 113.789 3.181 19221 18106 1 18 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.540 -0.526 19221 18107 1 18 . 1 1 166 166 GLU C C 166 174.562 174.562 173.410 1.152 19221 18108 1 18 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.588 -0.360 19221 18109 1 18 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.074 -0.258 19221 18110 1 18 . 1 1 166 166 GLU H H 166 7.268 7.268 7.650 -0.382 19221 18111 1 18 . 1 1 167 167 LEU N N 167 117.360 117.360 116.773 0.587 19221 18112 1 18 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.033 -0.035 19221 18113 1 18 . 1 1 167 167 LEU C C 167 175.659 175.659 175.407 0.252 19221 18114 1 18 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.379 0.291 19221 18115 1 18 . 1 1 167 167 LEU CB C 167 47.310 47.310 47.020 0.290 19221 18116 1 18 . 1 1 167 167 LEU H H 167 7.699 7.699 7.607 0.092 19221 18117 1 18 . 1 1 168 168 VAL N N 168 125.350 125.350 118.484 6.866 19221 18118 1 18 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.763 0.076 19221 18119 1 18 . 1 1 168 168 VAL C C 168 174.792 174.792 174.729 0.063 19221 18120 1 18 . 1 1 168 168 VAL CA C 168 61.130 61.130 60.980 0.150 19221 18121 1 18 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.175 -1.826 19221 18122 1 18 . 1 1 168 168 VAL H H 168 9.445 9.445 8.930 0.515 19221 18123 1 18 . 1 1 169 169 THR N N 169 123.020 123.020 121.653 1.367 19221 18124 1 18 . 1 1 169 169 THR HA H 169 4.869 4.869 5.129 -0.260 19221 18125 1 18 . 1 1 169 169 THR C C 169 173.876 173.876 173.620 0.256 19221 18126 1 18 . 1 1 169 169 THR CA C 169 61.580 61.580 61.844 -0.264 19221 18127 1 18 . 1 1 169 169 THR CB C 169 69.750 69.750 70.385 -0.635 19221 18128 1 18 . 1 1 169 169 THR H H 169 8.824 8.824 9.039 -0.215 19221 18129 1 18 . 1 1 170 170 ILE N N 170 126.700 126.700 126.738 -0.038 19221 18130 1 18 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.478 0.064 19221 18131 1 18 . 1 1 170 170 ILE C C 170 175.672 175.672 175.138 0.534 19221 18132 1 18 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.362 -0.032 19221 18133 1 18 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.290 -0.680 19221 18134 1 18 . 1 1 170 170 ILE H H 170 8.911 8.911 8.686 0.225 19221 18135 1 18 . 1 1 171 171 SER N N 171 122.780 122.780 118.411 4.369 19221 18136 1 18 . 1 1 171 171 SER HA H 171 4.670 4.670 4.808 -0.138 19221 18137 1 18 . 1 1 171 171 SER C C 171 174.700 174.700 173.603 1.097 19221 18138 1 18 . 1 1 171 171 SER CA C 171 58.280 58.280 58.715 -0.435 19221 18139 1 18 . 1 1 171 171 SER CB C 171 64.560 64.560 65.615 -1.054 19221 18140 1 18 . 1 1 171 171 SER H H 171 9.242 9.242 9.126 0.116 19221 18141 1 18 . 1 1 172 172 TRP N N 172 123.970 123.970 120.794 3.176 19221 18142 1 18 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.813 -0.178 19221 18143 1 18 . 1 1 172 172 TRP C C 172 172.618 172.618 173.325 -0.707 19221 18144 1 18 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.013 0.897 19221 18145 1 18 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.546 -0.896 19221 18146 1 18 . 1 1 172 172 TRP H H 172 7.929 7.929 7.582 0.347 19221 18147 1 18 . 1 1 173 173 VAL N N 173 123.660 123.660 123.412 0.248 19221 18148 1 18 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.025 0.105 19221 18149 1 18 . 1 1 173 173 VAL C C 173 170.746 170.746 172.996 -2.250 19221 18150 1 18 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.425 -0.325 19221 18151 1 18 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.268 -0.048 19221 18152 1 18 . 1 1 173 173 VAL H H 173 6.764 6.764 7.238 -0.474 19221 18153 1 18 . 1 1 174 174 GLN N N 174 126.430 126.430 125.563 0.867 19221 18154 1 18 . 1 1 174 174 GLN HA H 174 3.606 3.606 4.010 -0.404 19221 18155 1 18 . 1 1 174 174 GLN C C 174 172.955 172.955 174.179 -1.224 19221 18156 1 18 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.793 -0.743 19221 18157 1 18 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.118 1.642 19221 18158 1 18 . 1 1 174 174 GLN H H 174 7.071 7.071 8.148 -1.077 19221 18159 1 18 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.166 -0.305 19221 18160 1 18 . 1 1 175 175 PRO C C 175 175.955 175.955 176.004 -0.049 19221 18161 1 18 . 1 1 175 175 PRO CA C 175 62.750 62.750 64.215 -1.465 19221 18162 1 18 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.086 0.314 19221 18163 1 19 . 1 1 2 2 LYS HA H 2 4.140 4.140 3.930 0.210 19221 18164 1 19 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.779 -0.688 19221 18165 1 19 . 1 1 2 2 LYS CB C 2 32.930 32.930 31.650 1.280 19221 18166 1 19 . 1 1 4 4 ASP C C 4 176.140 176.140 176.208 -0.068 19221 18167 1 19 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.560 1.970 19221 18168 1 19 . 1 1 4 4 ASP CB C 4 41.980 41.980 40.694 1.286 19221 18169 1 19 . 1 1 5 5 PHE N N 5 122.270 122.270 124.829 -2.559 19221 18170 1 19 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.488 -0.309 19221 18171 1 19 . 1 1 5 5 PHE C C 5 177.706 177.706 177.166 0.540 19221 18172 1 19 . 1 1 5 5 PHE CA C 5 61.880 61.880 60.950 0.930 19221 18173 1 19 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.863 0.037 19221 18174 1 19 . 1 1 5 5 PHE H H 5 7.853 7.853 8.162 -0.309 19221 18175 1 19 . 1 1 6 6 ASN N N 6 114.920 114.920 117.969 -3.049 19221 18176 1 19 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.477 -0.076 19221 18177 1 19 . 1 1 6 6 ASN C C 6 176.990 176.990 177.567 -0.577 19221 18178 1 19 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.653 -0.183 19221 18179 1 19 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.228 0.995 19221 18180 1 19 . 1 1 6 6 ASN H H 6 8.051 8.051 8.423 -0.372 19221 18181 1 19 . 1 1 7 7 SER N N 7 112.970 112.970 117.134 -4.164 19221 18182 1 19 . 1 1 7 7 SER HA H 7 4.435 4.435 4.308 0.127 19221 18183 1 19 . 1 1 7 7 SER C C 7 177.780 177.780 176.581 1.199 19221 18184 1 19 . 1 1 7 7 SER CA C 7 61.440 61.440 62.223 -0.783 19221 18185 1 19 . 1 1 7 7 SER CB C 7 62.770 62.770 63.013 -0.243 19221 18186 1 19 . 1 1 7 7 SER H H 7 8.041 8.041 8.603 -0.562 19221 18187 1 19 . 1 1 8 8 PHE N N 8 123.560 123.560 123.787 -0.227 19221 18188 1 19 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.196 -0.129 19221 18189 1 19 . 1 1 8 8 PHE C C 8 177.959 177.959 177.011 0.948 19221 18190 1 19 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.651 0.459 19221 18191 1 19 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.099 -0.133 19221 18192 1 19 . 1 1 8 8 PHE H H 8 8.364 8.364 7.630 0.734 19221 18193 1 19 . 1 1 9 9 TYR N N 9 122.550 122.550 121.056 1.494 19221 18194 1 19 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.027 -0.027 19221 18195 1 19 . 1 1 9 9 TYR C C 9 176.360 176.360 177.170 -0.810 19221 18196 1 19 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.137 -0.127 19221 18197 1 19 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.370 -0.170 19221 18198 1 19 . 1 1 9 9 TYR H H 9 8.230 8.230 9.097 -0.867 19221 18199 1 19 . 1 1 10 10 TYR N N 10 115.490 115.490 118.490 -3.000 19221 18200 1 19 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.878 0.228 19221 18201 1 19 . 1 1 10 10 TYR C C 10 180.280 180.280 177.452 2.828 19221 18202 1 19 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.788 0.732 19221 18203 1 19 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.530 -0.600 19221 18204 1 19 . 1 1 10 10 TYR H H 10 7.958 7.958 8.376 -0.418 19221 18205 1 19 . 1 1 11 11 THR N N 11 115.140 115.140 116.423 -1.283 19221 18206 1 19 . 1 1 11 11 THR HA H 11 3.934 3.934 3.633 0.301 19221 18207 1 19 . 1 1 11 11 THR CA C 11 66.560 66.560 67.245 -0.685 19221 18208 1 19 . 1 1 11 11 THR CB C 11 68.750 68.750 68.114 0.636 19221 18209 1 19 . 1 1 11 11 THR H H 11 8.806 8.806 8.534 0.272 19221 18210 1 19 . 1 1 12 12 SER N N 12 120.384 120.384 117.332 3.052 19221 18211 1 19 . 1 1 12 12 SER HA H 12 3.346 3.346 4.164 -0.818 19221 18212 1 19 . 1 1 12 12 SER C C 12 175.891 175.891 175.610 0.281 19221 18213 1 19 . 1 1 12 12 SER CA C 12 62.740 62.740 61.480 1.260 19221 18214 1 19 . 1 1 12 12 SER CB C 12 62.580 62.580 63.342 -0.762 19221 18215 1 19 . 1 1 12 12 SER H H 12 8.151 8.151 8.315 -0.164 19221 18216 1 19 . 1 1 13 13 LEU N N 13 121.640 121.640 119.690 1.950 19221 18217 1 19 . 1 1 13 13 LEU HA H 13 3.801 3.801 4.460 -0.659 19221 18218 1 19 . 1 1 13 13 LEU C C 13 180.374 180.374 178.092 2.282 19221 18219 1 19 . 1 1 13 13 LEU CA C 13 58.350 58.350 56.962 1.388 19221 18220 1 19 . 1 1 13 13 LEU CB C 13 41.410 41.410 42.272 -0.862 19221 18221 1 19 . 1 1 13 13 LEU H H 13 7.893 7.893 7.259 0.634 19221 18222 1 19 . 1 1 14 14 LEU N N 14 120.470 120.470 122.110 -1.640 19221 18223 1 19 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.776 0.385 19221 18224 1 19 . 1 1 14 14 LEU C C 14 179.880 179.880 178.567 1.313 19221 18225 1 19 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.730 0.270 19221 18226 1 19 . 1 1 14 14 LEU CB C 14 41.550 41.550 39.944 1.606 19221 18227 1 19 . 1 1 14 14 LEU H H 14 7.528 7.528 8.339 -0.811 19221 18228 1 19 . 1 1 15 15 TYR N N 15 122.257 122.257 120.022 2.235 19221 18229 1 19 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.168 0.097 19221 18230 1 19 . 1 1 15 15 TYR C C 15 177.033 177.033 177.642 -0.609 19221 18231 1 19 . 1 1 15 15 TYR CA C 15 60.730 60.730 61.027 -0.297 19221 18232 1 19 . 1 1 15 15 TYR CB C 15 38.100 38.100 37.998 0.101 19221 18233 1 19 . 1 1 15 15 TYR H H 15 8.135 8.135 8.330 -0.195 19221 18234 1 19 . 1 1 16 16 LEU N N 16 118.440 118.440 116.756 1.684 19221 18235 1 19 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.697 0.108 19221 18236 1 19 . 1 1 16 16 LEU C C 16 179.055 179.055 177.801 1.254 19221 18237 1 19 . 1 1 16 16 LEU CA C 16 57.213 57.213 56.956 0.257 19221 18238 1 19 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.544 0.521 19221 18239 1 19 . 1 1 16 16 LEU H H 16 8.452 8.452 7.493 0.959 19221 18240 1 19 . 1 1 17 17 SER N N 17 114.450 114.450 111.637 2.813 19221 18241 1 19 . 1 1 17 17 SER HA H 17 4.430 4.430 4.258 0.172 19221 18242 1 19 . 1 1 17 17 SER C C 17 175.197 175.197 175.743 -0.546 19221 18243 1 19 . 1 1 17 17 SER CA C 17 61.040 61.040 60.215 0.825 19221 18244 1 19 . 1 1 17 17 SER CB C 17 63.460 63.460 63.923 -0.463 19221 18245 1 19 . 1 1 17 17 SER H H 17 7.848 7.848 7.875 -0.027 19221 18246 1 19 . 1 1 18 18 THR N N 18 110.850 110.850 111.990 -1.140 19221 18247 1 19 . 1 1 18 18 THR HA H 18 4.452 4.452 4.249 0.203 19221 18248 1 19 . 1 1 18 18 THR C C 18 174.439 174.439 175.242 -0.803 19221 18249 1 19 . 1 1 18 18 THR CA C 18 61.421 61.421 62.592 -1.171 19221 18250 1 19 . 1 1 18 18 THR CB C 18 69.940 69.940 69.695 0.245 19221 18251 1 19 . 1 1 18 18 THR H H 18 7.505 7.505 7.224 0.281 19221 18252 1 19 . 1 1 19 19 LEU N N 19 123.180 123.180 123.705 -0.525 19221 18253 1 19 . 1 1 19 19 LEU HA H 19 4.160 4.160 3.957 0.203 19221 18254 1 19 . 1 1 19 19 LEU C C 19 176.926 176.926 175.232 1.694 19221 18255 1 19 . 1 1 19 19 LEU CA C 19 55.290 55.290 56.166 -0.876 19221 18256 1 19 . 1 1 19 19 LEU CB C 19 42.448 42.448 42.566 -0.118 19221 18257 1 19 . 1 1 19 19 LEU H H 19 7.095 7.095 7.580 -0.485 19221 18258 1 19 . 1 1 20 20 GLU N N 20 125.330 125.330 121.469 3.861 19221 18259 1 19 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.730 -0.122 19221 18260 1 19 . 1 1 20 20 GLU C C 20 175.915 175.915 175.068 0.847 19221 18261 1 19 . 1 1 20 20 GLU CA C 20 54.773 54.773 53.411 1.361 19221 18262 1 19 . 1 1 20 20 GLU CB C 20 29.590 29.590 31.883 -2.293 19221 18263 1 19 . 1 1 20 20 GLU H H 20 8.535 8.535 8.299 0.236 19221 18264 1 19 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.327 0.006 19221 18265 1 19 . 1 1 21 21 PRO C C 21 177.196 177.196 176.883 0.313 19221 18266 1 19 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.844 -0.064 19221 18267 1 19 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.697 0.153 19221 18268 1 19 . 1 1 22 22 SER N N 22 111.220 111.220 113.197 -1.977 19221 18269 1 19 . 1 1 22 22 SER HA H 22 4.398 4.398 4.290 0.108 19221 18270 1 19 . 1 1 22 22 SER C C 22 175.056 175.056 175.660 -0.604 19221 18271 1 19 . 1 1 22 22 SER CA C 22 58.530 58.530 60.166 -1.636 19221 18272 1 19 . 1 1 22 22 SER CB C 22 63.500 63.500 63.303 0.197 19221 18273 1 19 . 1 1 22 22 SER H H 22 7.967 7.967 8.370 -0.403 19221 18274 1 19 . 1 1 23 23 THR N N 23 117.440 117.440 109.984 7.456 19221 18275 1 19 . 1 1 23 23 THR HA H 23 4.279 4.279 4.544 -0.265 19221 18276 1 19 . 1 1 23 23 THR C C 23 174.573 174.573 174.928 -0.355 19221 18277 1 19 . 1 1 23 23 THR CA C 23 62.920 62.920 61.831 1.089 19221 18278 1 19 . 1 1 23 23 THR CB C 23 69.260 69.260 70.878 -1.618 19221 18279 1 19 . 1 1 23 23 THR H H 23 7.936 7.936 7.793 0.143 19221 18280 1 19 . 1 1 24 24 SER N N 24 119.820 119.820 120.349 -0.529 19221 18281 1 19 . 1 1 24 24 SER HA H 24 4.485 4.485 4.011 0.474 19221 18282 1 19 . 1 1 24 24 SER C C 24 174.082 174.082 173.680 0.402 19221 18283 1 19 . 1 1 24 24 SER CA C 24 58.600 58.600 59.963 -1.363 19221 18284 1 19 . 1 1 24 24 SER CB C 24 63.430 63.430 62.764 0.666 19221 18285 1 19 . 1 1 24 24 SER H H 24 8.438 8.438 8.173 0.265 19221 18286 1 19 . 1 1 25 25 ILE N N 25 123.140 123.140 116.767 6.373 19221 18287 1 19 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.561 -0.082 19221 18288 1 19 . 1 1 25 25 ILE C C 25 176.472 176.472 175.620 0.852 19221 18289 1 19 . 1 1 25 25 ILE CA C 25 61.010 61.010 59.751 1.259 19221 18290 1 19 . 1 1 25 25 ILE CB C 25 39.460 39.460 40.493 -1.033 19221 18291 1 19 . 1 1 25 25 ILE H H 25 7.870 7.870 8.138 -0.268 19221 18292 1 19 . 1 1 26 26 THR N N 26 118.120 118.120 113.315 4.805 19221 18293 1 19 . 1 1 26 26 THR HA H 26 4.394 4.394 4.622 -0.228 19221 18294 1 19 . 1 1 26 26 THR C C 26 175.540 175.540 175.387 0.153 19221 18295 1 19 . 1 1 26 26 THR CA C 26 61.890 61.890 60.442 1.448 19221 18296 1 19 . 1 1 26 26 THR CB C 26 71.320 71.320 70.024 1.296 19221 18297 1 19 . 1 1 26 26 THR H H 26 8.649 8.649 8.179 0.470 19221 18298 1 19 . 1 1 27 27 LEU N N 27 123.130 123.130 121.410 1.720 19221 18299 1 19 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.113 -0.024 19221 18300 1 19 . 1 1 27 27 LEU C C 27 178.653 178.653 178.404 0.249 19221 18301 1 19 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.592 1.168 19221 18302 1 19 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.438 -0.258 19221 18303 1 19 . 1 1 27 27 LEU H H 27 8.766 8.766 8.622 0.144 19221 18304 1 19 . 1 1 28 28 ALA N N 28 119.510 119.510 121.225 -1.715 19221 18305 1 19 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.072 0.191 19221 18306 1 19 . 1 1 28 28 ALA C C 28 178.218 178.218 179.874 -1.656 19221 18307 1 19 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.938 0.382 19221 18308 1 19 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.123 -0.003 19221 18309 1 19 . 1 1 28 28 ALA H H 28 8.546 8.546 8.355 0.191 19221 18310 1 19 . 1 1 29 29 GLU N N 29 118.210 118.210 117.942 0.268 19221 18311 1 19 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.113 -0.032 19221 18312 1 19 . 1 1 29 29 GLU C C 29 179.929 179.929 179.371 0.558 19221 18313 1 19 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.159 0.141 19221 18314 1 19 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.468 0.608 19221 18315 1 19 . 1 1 29 29 GLU H H 29 7.719 7.719 8.029 -0.310 19221 18316 1 19 . 1 1 30 30 ARG N N 30 121.350 121.350 120.578 0.772 19221 18317 1 19 . 1 1 30 30 ARG HA H 30 3.959 3.959 3.998 -0.039 19221 18318 1 19 . 1 1 30 30 ARG C C 30 177.538 177.538 178.873 -1.335 19221 18319 1 19 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.834 0.811 19221 18320 1 19 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.084 0.916 19221 18321 1 19 . 1 1 30 30 ARG H H 30 8.410 8.410 8.283 0.127 19221 18322 1 19 . 1 1 31 31 GLN N N 31 117.670 117.670 118.980 -1.310 19221 18323 1 19 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.004 -0.052 19221 18324 1 19 . 1 1 31 31 GLN C C 31 178.220 178.220 178.930 -0.710 19221 18325 1 19 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.196 -0.241 19221 18326 1 19 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.608 0.022 19221 18327 1 19 . 1 1 31 31 GLN H H 31 8.742 8.742 8.492 0.250 19221 18328 1 19 . 1 1 32 32 GLN N N 32 117.910 117.910 118.723 -0.813 19221 18329 1 19 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.149 -0.162 19221 18330 1 19 . 1 1 32 32 GLN C C 32 177.712 177.712 178.675 -0.963 19221 18331 1 19 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.637 -0.307 19221 18332 1 19 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.467 -0.147 19221 18333 1 19 . 1 1 32 32 GLN H H 32 7.732 7.732 7.981 -0.249 19221 18334 1 19 . 1 1 33 33 LEU N N 33 119.680 119.680 121.410 -1.730 19221 18335 1 19 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.068 0.336 19221 18336 1 19 . 1 1 33 33 LEU C C 33 178.876 178.876 178.029 0.847 19221 18337 1 19 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.572 0.478 19221 18338 1 19 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.502 0.298 19221 18339 1 19 . 1 1 33 33 LEU H H 33 7.846 7.846 8.525 -0.679 19221 18340 1 19 . 1 1 34 34 ALA N N 34 121.660 121.660 121.810 -0.150 19221 18341 1 19 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.983 -0.242 19221 18342 1 19 . 1 1 34 34 ALA C C 34 180.025 180.025 179.174 0.851 19221 18343 1 19 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.286 0.384 19221 18344 1 19 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.114 0.826 19221 18345 1 19 . 1 1 34 34 ALA H H 34 8.308 8.308 8.618 -0.310 19221 18346 1 19 . 1 1 35 35 TYR N N 35 120.860 120.860 119.913 0.947 19221 18347 1 19 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.767 -0.009 19221 18348 1 19 . 1 1 35 35 TYR C C 35 176.384 176.384 177.334 -0.950 19221 18349 1 19 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.826 0.194 19221 18350 1 19 . 1 1 35 35 TYR CB C 35 38.460 38.460 38.093 0.367 19221 18351 1 19 . 1 1 35 35 TYR H H 35 8.457 8.457 8.514 -0.057 19221 18352 1 19 . 1 1 36 36 ASP N N 36 120.570 120.570 119.653 0.917 19221 18353 1 19 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.082 0.153 19221 18354 1 19 . 1 1 36 36 ASP C C 36 180.544 180.544 178.534 2.010 19221 18355 1 19 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.625 0.315 19221 18356 1 19 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.866 -0.396 19221 18357 1 19 . 1 1 36 36 ASP H H 36 9.072 9.072 8.443 0.629 19221 18358 1 19 . 1 1 37 37 LEU N N 37 123.000 123.000 120.946 2.054 19221 18359 1 19 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.054 0.092 19221 18360 1 19 . 1 1 37 37 LEU C C 37 178.743 178.743 178.397 0.346 19221 18361 1 19 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.627 -0.014 19221 18362 1 19 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.989 0.821 19221 18363 1 19 . 1 1 37 37 LEU H H 37 9.068 9.068 8.463 0.606 19221 18364 1 19 . 1 1 38 38 SER N N 38 116.650 116.650 115.662 0.988 19221 18365 1 19 . 1 1 38 38 SER HA H 38 3.680 3.680 4.183 -0.503 19221 18366 1 19 . 1 1 38 38 SER C C 38 174.113 174.113 176.861 -2.748 19221 18367 1 19 . 1 1 38 38 SER CA C 38 59.430 59.430 62.493 -3.063 19221 18368 1 19 . 1 1 38 38 SER CB C 38 63.559 63.559 62.773 0.786 19221 18369 1 19 . 1 1 38 38 SER H H 38 7.824 7.824 8.111 -0.287 19221 18370 1 19 . 1 1 39 39 ILE N N 39 121.198 121.198 121.882 -0.684 19221 18371 1 19 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.503 -0.098 19221 18372 1 19 . 1 1 39 39 ILE C C 39 176.113 176.113 177.728 -1.615 19221 18373 1 19 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.460 -1.100 19221 18374 1 19 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.559 -1.211 19221 18375 1 19 . 1 1 39 39 ILE H H 39 8.313 8.313 8.272 0.041 19221 18376 1 19 . 1 1 40 40 SER N N 40 115.537 115.537 115.928 -0.391 19221 18377 1 19 . 1 1 40 40 SER HA H 40 4.534 4.534 4.026 0.508 19221 18378 1 19 . 1 1 40 40 SER C C 40 174.881 174.881 176.265 -1.384 19221 18379 1 19 . 1 1 40 40 SER CA C 40 62.520 62.520 62.210 0.310 19221 18380 1 19 . 1 1 40 40 SER CB C 40 62.670 62.670 62.835 -0.165 19221 18381 1 19 . 1 1 40 40 SER H H 40 7.961 7.961 8.453 -0.492 19221 18382 1 19 . 1 1 41 41 ALA N N 41 123.360 123.360 123.457 -0.097 19221 18383 1 19 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.869 -0.277 19221 18384 1 19 . 1 1 41 41 ALA C C 41 178.822 178.822 179.929 -1.107 19221 18385 1 19 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.601 -0.479 19221 18386 1 19 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.516 -0.126 19221 18387 1 19 . 1 1 41 41 ALA H H 41 7.878 7.878 7.864 0.014 19221 18388 1 19 . 1 1 42 42 LEU N N 42 115.790 115.790 119.975 -4.185 19221 18389 1 19 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.068 -0.492 19221 18390 1 19 . 1 1 42 42 LEU C C 42 179.683 179.683 178.582 1.101 19221 18391 1 19 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.576 1.155 19221 18392 1 19 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.119 0.091 19221 18393 1 19 . 1 1 42 42 LEU H H 42 7.737 7.737 8.148 -0.411 19221 18394 1 19 . 1 1 43 43 LEU N N 43 113.670 113.670 114.653 -0.983 19221 18395 1 19 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.107 -0.100 19221 18396 1 19 . 1 1 43 43 LEU C C 43 177.279 177.279 176.817 0.462 19221 18397 1 19 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.815 0.115 19221 18398 1 19 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.150 -0.330 19221 18399 1 19 . 1 1 43 43 LEU H H 43 7.798 7.798 7.617 0.181 19221 18400 1 19 . 1 1 44 44 GLY N N 44 108.270 108.270 106.817 1.453 19221 18401 1 19 . 1 1 44 44 GLY C C 44 177.020 177.020 174.903 2.117 19221 18402 1 19 . 1 1 44 44 GLY CA C 44 46.890 46.890 45.319 1.571 19221 18403 1 19 . 1 1 44 44 GLY H H 44 7.984 7.984 7.167 0.817 19221 18404 1 19 . 1 1 45 45 ASP N N 45 128.400 128.400 126.796 1.604 19221 18405 1 19 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.574 -0.015 19221 18406 1 19 . 1 1 45 45 ASP C C 45 177.183 177.183 177.774 -0.591 19221 18407 1 19 . 1 1 45 45 ASP CA C 45 55.450 55.450 57.090 -1.640 19221 18408 1 19 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.319 -1.529 19221 18409 1 19 . 1 1 45 45 ASP H H 45 9.073 9.073 8.651 0.422 19221 18410 1 19 . 1 1 46 46 LYS N N 46 117.230 117.230 117.163 0.067 19221 18411 1 19 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.392 0.553 19221 18412 1 19 . 1 1 46 46 LYS C C 46 176.544 176.544 177.418 -0.874 19221 18413 1 19 . 1 1 46 46 LYS CA C 46 55.610 55.610 56.332 -0.722 19221 18414 1 19 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.662 1.298 19221 18415 1 19 . 1 1 46 46 LYS H H 46 8.987 8.987 8.441 0.546 19221 18416 1 19 . 1 1 47 47 ILE N N 47 121.540 121.540 120.006 1.534 19221 18417 1 19 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.737 0.360 19221 18418 1 19 . 1 1 47 47 ILE C C 47 174.082 174.082 175.353 -1.271 19221 18419 1 19 . 1 1 47 47 ILE CA C 47 61.080 61.080 60.971 0.109 19221 18420 1 19 . 1 1 47 47 ILE CB C 47 37.008 37.008 37.734 -0.726 19221 18421 1 19 . 1 1 47 47 ILE H H 47 6.840 6.840 7.597 -0.757 19221 18422 1 19 . 1 1 48 48 TYR N N 48 123.820 123.820 117.965 5.855 19221 18423 1 19 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.147 0.162 19221 18424 1 19 . 1 1 48 48 TYR C C 48 173.249 173.249 174.451 -1.202 19221 18425 1 19 . 1 1 48 48 TYR CA C 48 57.350 57.350 57.412 -0.062 19221 18426 1 19 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.603 -0.373 19221 18427 1 19 . 1 1 48 48 TYR H H 48 8.511 8.511 7.540 0.971 19221 18428 1 19 . 1 1 49 49 ASN N N 49 116.100 116.100 120.065 -3.965 19221 18429 1 19 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.431 0.020 19221 18430 1 19 . 1 1 49 49 ASN C C 49 175.429 175.429 175.139 0.290 19221 18431 1 19 . 1 1 49 49 ASN CA C 49 53.077 53.077 51.780 1.297 19221 18432 1 19 . 1 1 49 49 ASN CB C 49 39.916 39.916 35.851 4.065 19221 18433 1 19 . 1 1 49 49 ASN H H 49 6.906 6.906 7.532 -0.626 19221 18434 1 19 . 1 1 50 50 PHE N N 50 124.360 124.360 119.648 4.712 19221 18435 1 19 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.152 0.859 19221 18436 1 19 . 1 1 50 50 PHE C C 50 176.190 176.190 177.558 -1.368 19221 18437 1 19 . 1 1 50 50 PHE CA C 50 55.863 55.863 61.266 -5.403 19221 18438 1 19 . 1 1 50 50 PHE CB C 50 38.482 38.482 38.422 0.060 19221 18439 1 19 . 1 1 50 50 PHE H H 50 8.980 8.980 8.004 0.976 19221 18440 1 19 . 1 1 51 51 GLY N N 51 109.740 109.740 107.085 2.655 19221 18441 1 19 . 1 1 51 51 GLY C C 51 175.758 175.758 175.518 0.240 19221 18442 1 19 . 1 1 51 51 GLY CA C 51 48.300 48.300 46.700 1.600 19221 18443 1 19 . 1 1 51 51 GLY H H 51 8.658 8.658 8.488 0.170 19221 18444 1 19 . 1 1 52 52 GLU N N 52 120.700 120.700 121.625 -0.925 19221 18445 1 19 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.136 -0.054 19221 18446 1 19 . 1 1 52 52 GLU C C 52 178.240 178.240 179.172 -0.932 19221 18447 1 19 . 1 1 52 52 GLU CA C 52 59.210 59.210 58.689 0.521 19221 18448 1 19 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.636 0.103 19221 18449 1 19 . 1 1 52 52 GLU H H 52 8.321 8.321 7.888 0.433 19221 18450 1 19 . 1 1 53 53 LEU N N 53 119.400 119.400 122.388 -2.988 19221 18451 1 19 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.199 -0.041 19221 18452 1 19 . 1 1 53 53 LEU C C 53 178.344 178.344 179.101 -0.757 19221 18453 1 19 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.889 -0.099 19221 18454 1 19 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.078 0.762 19221 18455 1 19 . 1 1 53 53 LEU H H 53 7.694 7.694 7.695 -0.001 19221 18456 1 19 . 1 1 54 54 LEU N N 54 114.230 114.230 116.156 -1.926 19221 18457 1 19 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.227 -0.304 19221 18458 1 19 . 1 1 54 54 LEU C C 54 178.643 178.643 177.042 1.601 19221 18459 1 19 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.737 0.993 19221 18460 1 19 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.912 -0.062 19221 18461 1 19 . 1 1 54 54 LEU H H 54 8.369 8.369 8.370 -0.001 19221 18462 1 19 . 1 1 55 55 HIS N N 55 113.420 113.420 115.544 -2.124 19221 18463 1 19 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.755 -0.048 19221 18464 1 19 . 1 1 55 55 HIS C C 55 173.981 173.981 174.736 -0.755 19221 18465 1 19 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.626 -0.106 19221 18466 1 19 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.648 -2.368 19221 18467 1 19 . 1 1 55 55 HIS H H 55 7.569 7.569 7.635 -0.066 19221 18468 1 19 . 1 1 56 56 HIS N N 56 126.050 126.050 122.961 3.089 19221 18469 1 19 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.731 -0.250 19221 18470 1 19 . 1 1 56 56 HIS C C 56 176.705 176.705 174.497 2.208 19221 18471 1 19 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.600 2.750 19221 18472 1 19 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.150 0.570 19221 18473 1 19 . 1 1 56 56 HIS H H 56 8.068 8.068 8.012 0.056 19221 18474 1 19 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.130 0.247 19221 18475 1 19 . 1 1 57 57 PRO C C 57 179.790 179.790 178.484 1.306 19221 18476 1 19 . 1 1 57 57 PRO CA C 57 65.440 65.440 65.510 -0.070 19221 18477 1 19 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.690 0.740 19221 18478 1 19 . 1 1 58 58 ILE N N 58 124.900 124.900 118.679 6.221 19221 18479 1 19 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.698 0.572 19221 18480 1 19 . 1 1 58 58 ILE C C 58 177.782 177.782 177.256 0.526 19221 18481 1 19 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.718 -1.188 19221 18482 1 19 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.428 0.842 19221 18483 1 19 . 1 1 58 58 ILE H H 58 11.871 11.871 7.635 4.236 19221 18484 1 19 . 1 1 59 59 MET N N 59 120.230 120.230 117.538 2.692 19221 18485 1 19 . 1 1 59 59 MET HA H 59 4.431 4.431 4.132 0.299 19221 18486 1 19 . 1 1 59 59 MET C C 59 178.757 178.757 177.946 0.811 19221 18487 1 19 . 1 1 59 59 MET CA C 59 55.720 55.720 56.471 -0.751 19221 18488 1 19 . 1 1 59 59 MET CB C 59 30.980 30.980 30.895 0.085 19221 18489 1 19 . 1 1 59 59 MET H H 59 8.152 8.152 8.219 -0.067 19221 18490 1 19 . 1 1 60 60 GLU N N 60 119.080 119.080 118.307 0.773 19221 18491 1 19 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.873 0.135 19221 18492 1 19 . 1 1 60 60 GLU C C 60 178.242 178.242 178.481 -0.239 19221 18493 1 19 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.288 -0.768 19221 18494 1 19 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.571 0.976 19221 18495 1 19 . 1 1 60 60 GLU H H 60 7.889 7.889 8.217 -0.328 19221 18496 1 19 . 1 1 61 61 THR N N 61 106.740 106.740 111.702 -4.962 19221 18497 1 19 . 1 1 61 61 THR HA H 61 4.120 4.120 4.085 0.035 19221 18498 1 19 . 1 1 61 61 THR C C 61 176.056 176.056 175.620 0.436 19221 18499 1 19 . 1 1 61 61 THR CA C 61 64.520 64.520 64.863 -0.343 19221 18500 1 19 . 1 1 61 61 THR CB C 61 69.420 69.420 69.095 0.325 19221 18501 1 19 . 1 1 61 61 THR H H 61 7.558 7.558 7.636 -0.078 19221 18502 1 19 . 1 1 62 62 ILE N N 62 113.140 113.140 115.575 -2.435 19221 18503 1 19 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.551 0.036 19221 18504 1 19 . 1 1 62 62 ILE C C 62 176.843 176.843 177.380 -0.537 19221 18505 1 19 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.986 -0.196 19221 18506 1 19 . 1 1 62 62 ILE CB C 62 40.370 40.370 39.780 0.590 19221 18507 1 19 . 1 1 62 62 ILE H H 62 7.235 7.235 7.739 -0.504 19221 18508 1 19 . 1 1 63 63 VAL N N 63 122.110 122.110 116.832 5.278 19221 18509 1 19 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.551 -0.205 19221 18510 1 19 . 1 1 63 63 VAL C C 63 175.165 175.165 175.851 -0.686 19221 18511 1 19 . 1 1 63 63 VAL CA C 63 64.440 64.440 64.887 -0.447 19221 18512 1 19 . 1 1 63 63 VAL CB C 63 31.199 31.199 30.774 0.425 19221 18513 1 19 . 1 1 63 63 VAL H H 63 7.436 7.436 7.917 -0.481 19221 18514 1 19 . 1 1 64 64 ASN N N 64 116.810 116.810 116.294 0.516 19221 18515 1 19 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.770 0.011 19221 18516 1 19 . 1 1 64 64 ASN C C 64 174.101 174.101 174.053 0.048 19221 18517 1 19 . 1 1 64 64 ASN CA C 64 52.900 52.900 53.102 -0.202 19221 18518 1 19 . 1 1 64 64 ASN CB C 64 38.779 38.779 39.256 -0.477 19221 18519 1 19 . 1 1 64 64 ASN H H 64 8.352 8.352 7.730 0.622 19221 18520 1 19 . 1 1 65 65 ASP N N 65 120.930 120.930 120.095 0.835 19221 18521 1 19 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.890 -0.010 19221 18522 1 19 . 1 1 65 65 ASP C C 65 177.534 177.534 176.462 1.072 19221 18523 1 19 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.690 0.480 19221 18524 1 19 . 1 1 65 65 ASP CB C 65 43.100 43.100 42.854 0.246 19221 18525 1 19 . 1 1 65 65 ASP H H 65 7.453 7.453 7.573 -0.120 19221 18526 1 19 . 1 1 66 66 SER HA H 66 4.356 4.356 4.098 0.258 19221 18527 1 19 . 1 1 66 66 SER C C 66 176.310 176.310 175.541 0.769 19221 18528 1 19 . 1 1 66 66 SER CA C 66 61.350 61.350 60.997 0.353 19221 18529 1 19 . 1 1 66 66 SER CB C 66 63.120 63.120 63.217 -0.097 19221 18530 1 19 . 1 1 66 66 SER H H 66 7.010 7.010 8.869 -1.859 19221 18531 1 19 . 1 1 67 67 ASN N N 67 120.050 120.050 118.389 1.661 19221 18532 1 19 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.459 0.146 19221 18533 1 19 . 1 1 67 67 ASN C C 67 176.107 176.107 175.901 0.206 19221 18534 1 19 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.515 0.055 19221 18535 1 19 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.806 -0.206 19221 18536 1 19 . 1 1 67 67 ASN H H 67 9.014 9.014 8.496 0.518 19221 18537 1 19 . 1 1 68 68 TYR N N 68 114.840 114.840 114.559 0.281 19221 18538 1 19 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.149 0.370 19221 18539 1 19 . 1 1 68 68 TYR C C 68 175.709 175.709 176.013 -0.304 19221 18540 1 19 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.523 1.087 19221 18541 1 19 . 1 1 68 68 TYR CB C 68 39.750 39.750 39.211 0.539 19221 18542 1 19 . 1 1 68 68 TYR H H 68 8.276 8.276 8.133 0.143 19221 18543 1 19 . 1 1 69 69 ASP N N 69 122.810 122.810 122.834 -0.024 19221 18544 1 19 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.415 0.037 19221 18545 1 19 . 1 1 69 69 ASP C C 69 178.371 178.371 177.571 0.800 19221 18546 1 19 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.565 0.065 19221 18547 1 19 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.988 -0.358 19221 18548 1 19 . 1 1 69 69 ASP H H 69 7.806 7.806 8.105 -0.299 19221 18549 1 19 . 1 1 70 70 TRP N N 70 117.270 117.270 117.304 -0.034 19221 18550 1 19 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.541 -0.377 19221 18551 1 19 . 1 1 70 70 TRP C C 70 176.090 176.090 177.500 -1.410 19221 18552 1 19 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.015 -0.485 19221 18553 1 19 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.516 -0.966 19221 18554 1 19 . 1 1 70 70 TRP H H 70 8.172 8.172 7.780 0.392 19221 18555 1 19 . 1 1 71 71 LEU N N 71 125.263 125.263 121.869 3.394 19221 18556 1 19 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.857 -0.617 19221 18557 1 19 . 1 1 71 71 LEU C C 71 178.306 178.306 178.430 -0.124 19221 18558 1 19 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.019 0.591 19221 18559 1 19 . 1 1 71 71 LEU CB C 71 41.190 41.190 41.213 -0.023 19221 18560 1 19 . 1 1 71 71 LEU H H 71 6.251 6.251 6.721 -0.470 19221 18561 1 19 . 1 1 72 72 PHE N N 72 117.630 117.630 119.994 -2.364 19221 18562 1 19 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.943 -0.130 19221 18563 1 19 . 1 1 72 72 PHE C C 72 178.797 178.797 177.364 1.433 19221 18564 1 19 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.216 1.355 19221 18565 1 19 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.710 0.100 19221 18566 1 19 . 1 1 72 72 PHE H H 72 6.996 6.996 8.420 -1.424 19221 18567 1 19 . 1 1 73 73 GLN N N 73 117.950 117.950 117.378 0.572 19221 18568 1 19 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.593 0.473 19221 18569 1 19 . 1 1 73 73 GLN C C 73 179.341 179.341 178.214 1.127 19221 18570 1 19 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.812 0.278 19221 18571 1 19 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.600 -0.350 19221 18572 1 19 . 1 1 73 73 GLN H H 73 8.415 8.415 8.438 -0.023 19221 18573 1 19 . 1 1 74 74 LEU N N 74 122.275 122.275 122.437 -0.162 19221 18574 1 19 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.073 -0.003 19221 18575 1 19 . 1 1 74 74 LEU C C 74 177.889 177.889 178.352 -0.463 19221 18576 1 19 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.677 0.893 19221 18577 1 19 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.548 0.632 19221 18578 1 19 . 1 1 74 74 LEU H H 74 8.365 8.365 7.561 0.804 19221 18579 1 19 . 1 1 75 75 LEU N N 75 118.123 118.123 119.284 -1.161 19221 18580 1 19 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.566 0.161 19221 18581 1 19 . 1 1 75 75 LEU C C 75 180.172 180.172 178.901 1.271 19221 18582 1 19 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.409 0.044 19221 18583 1 19 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.144 1.196 19221 18584 1 19 . 1 1 75 75 LEU H H 75 8.210 8.210 8.686 -0.476 19221 18585 1 19 . 1 1 76 76 ASN N N 76 117.960 117.960 118.043 -0.083 19221 18586 1 19 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.279 0.096 19221 18587 1 19 . 1 1 76 76 ASN C C 76 176.582 176.582 177.062 -0.480 19221 18588 1 19 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.249 0.711 19221 18589 1 19 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.847 1.103 19221 18590 1 19 . 1 1 76 76 ASN H H 76 8.363 8.363 8.343 0.020 19221 18591 1 19 . 1 1 77 77 ALA N N 77 121.740 121.740 122.367 -0.627 19221 18592 1 19 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.030 0.137 19221 18593 1 19 . 1 1 77 77 ALA C C 77 179.988 179.988 179.981 0.007 19221 18594 1 19 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.961 0.599 19221 18595 1 19 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.334 -1.004 19221 18596 1 19 . 1 1 77 77 ALA H H 77 8.385 8.385 8.171 0.214 19221 18597 1 19 . 1 1 78 78 LEU N N 78 116.550 116.550 117.030 -0.480 19221 18598 1 19 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.883 -0.230 19221 18599 1 19 . 1 1 78 78 LEU C C 78 177.576 177.576 179.265 -1.689 19221 18600 1 19 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.588 1.396 19221 18601 1 19 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.687 0.323 19221 18602 1 19 . 1 1 78 78 LEU H H 78 7.965 7.965 8.270 -0.305 19221 18603 1 19 . 1 1 79 79 THR N N 79 113.220 113.220 113.757 -0.537 19221 18604 1 19 . 1 1 79 79 THR HA H 79 3.807 3.807 4.242 -0.435 19221 18605 1 19 . 1 1 79 79 THR C C 79 176.163 176.163 176.172 -0.009 19221 18606 1 19 . 1 1 79 79 THR CA C 79 66.980 66.980 65.917 1.063 19221 18607 1 19 . 1 1 79 79 THR CB C 79 69.240 69.240 69.462 -0.222 19221 18608 1 19 . 1 1 79 79 THR H H 79 7.565 7.565 7.668 -0.103 19221 18609 1 19 . 1 1 80 80 VAL N N 80 110.800 110.800 113.630 -2.830 19221 18610 1 19 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.145 0.364 19221 18611 1 19 . 1 1 80 80 VAL C C 80 176.751 176.751 176.696 0.055 19221 18612 1 19 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.565 -1.675 19221 18613 1 19 . 1 1 80 80 VAL CB C 80 32.005 32.005 31.995 0.010 19221 18614 1 19 . 1 1 80 80 VAL H H 80 7.792 7.792 7.883 -0.091 19221 18615 1 19 . 1 1 81 81 GLY N N 81 112.910 112.910 109.716 3.194 19221 18616 1 19 . 1 1 81 81 GLY C C 81 173.874 173.874 173.965 -0.091 19221 18617 1 19 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.767 1.513 19221 18618 1 19 . 1 1 81 81 GLY H H 81 7.506 7.506 7.618 -0.112 19221 18619 1 19 . 1 1 82 82 ASP N N 82 119.112 119.112 120.697 -1.585 19221 18620 1 19 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.684 0.156 19221 18621 1 19 . 1 1 82 82 ASP C C 82 175.706 175.706 176.127 -0.421 19221 18622 1 19 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.724 0.196 19221 18623 1 19 . 1 1 82 82 ASP CB C 82 39.950 39.950 40.109 -0.159 19221 18624 1 19 . 1 1 82 82 ASP H H 82 8.254 8.254 7.901 0.353 19221 18625 1 19 . 1 1 83 83 PHE N N 83 123.870 123.870 124.041 -0.171 19221 18626 1 19 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.118 -0.290 19221 18627 1 19 . 1 1 83 83 PHE C C 83 177.950 177.950 176.840 1.110 19221 18628 1 19 . 1 1 83 83 PHE CA C 83 62.570 62.570 60.324 2.246 19221 18629 1 19 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.122 0.998 19221 18630 1 19 . 1 1 83 83 PHE H H 83 8.025 8.025 7.853 0.172 19221 18631 1 19 . 1 1 84 84 ASP N N 84 119.583 119.583 120.642 -1.059 19221 18632 1 19 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.372 0.150 19221 18633 1 19 . 1 1 84 84 ASP C C 84 179.005 179.005 178.465 0.540 19221 18634 1 19 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.401 0.259 19221 18635 1 19 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.692 -0.132 19221 18636 1 19 . 1 1 84 84 ASP H H 84 8.464 8.464 7.602 0.862 19221 18637 1 19 . 1 1 85 85 LYS N N 85 122.200 122.200 119.522 2.678 19221 18638 1 19 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.089 0.003 19221 18639 1 19 . 1 1 85 85 LYS C C 85 178.580 178.580 179.147 -0.567 19221 18640 1 19 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.281 -0.031 19221 18641 1 19 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.111 0.199 19221 18642 1 19 . 1 1 85 85 LYS H H 85 8.009 8.009 8.283 -0.274 19221 18643 1 19 . 1 1 86 86 PHE N N 86 118.590 118.590 121.902 -3.312 19221 18644 1 19 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.064 -0.228 19221 18645 1 19 . 1 1 86 86 PHE C C 86 175.649 175.649 176.669 -1.020 19221 18646 1 19 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.578 0.832 19221 18647 1 19 . 1 1 86 86 PHE CB C 86 40.080 40.080 39.033 1.047 19221 18648 1 19 . 1 1 86 86 PHE H H 86 8.331 8.331 8.682 -0.351 19221 18649 1 19 . 1 1 87 87 ASP N N 87 117.790 117.790 119.265 -1.475 19221 18650 1 19 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.062 0.136 19221 18651 1 19 . 1 1 87 87 ASP C C 87 178.542 178.542 178.567 -0.025 19221 18652 1 19 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.655 0.185 19221 18653 1 19 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.644 1.246 19221 18654 1 19 . 1 1 87 87 ASP H H 87 8.560 8.560 8.666 -0.106 19221 18655 1 19 . 1 1 88 88 SER N N 88 112.940 112.940 115.502 -2.562 19221 18656 1 19 . 1 1 88 88 SER HA H 88 4.153 4.153 4.243 -0.090 19221 18657 1 19 . 1 1 88 88 SER C C 88 176.823 176.823 175.854 0.969 19221 18658 1 19 . 1 1 88 88 SER CA C 88 61.590 61.590 61.878 -0.288 19221 18659 1 19 . 1 1 88 88 SER CB C 88 63.085 63.085 63.203 -0.118 19221 18660 1 19 . 1 1 88 88 SER H H 88 7.757 7.757 8.096 -0.339 19221 18661 1 19 . 1 1 89 89 LEU N N 89 121.710 121.710 121.197 0.513 19221 18662 1 19 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.242 -0.074 19221 18663 1 19 . 1 1 89 89 LEU C C 89 180.006 180.006 178.005 2.001 19221 18664 1 19 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.470 0.360 19221 18665 1 19 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.266 1.114 19221 18666 1 19 . 1 1 89 89 LEU H H 89 8.173 8.173 7.450 0.723 19221 18667 1 19 . 1 1 90 90 ILE N N 90 119.830 119.830 121.213 -1.383 19221 18668 1 19 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.393 0.152 19221 18669 1 19 . 1 1 90 90 ILE C C 90 177.083 177.083 178.375 -1.292 19221 18670 1 19 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.854 -1.944 19221 18671 1 19 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.458 -0.378 19221 18672 1 19 . 1 1 90 90 ILE H H 90 8.424 8.424 8.451 -0.027 19221 18673 1 19 . 1 1 91 91 LYS N N 91 117.980 117.980 117.735 0.245 19221 18674 1 19 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.957 -0.056 19221 18675 1 19 . 1 1 91 91 LYS C C 91 178.803 178.803 178.032 0.771 19221 18676 1 19 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.142 0.368 19221 18677 1 19 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.312 0.448 19221 18678 1 19 . 1 1 91 91 LYS H H 91 7.569 7.569 8.149 -0.580 19221 18679 1 19 . 1 1 92 92 VAL N N 92 115.450 115.450 116.611 -1.161 19221 18680 1 19 . 1 1 92 92 VAL HA H 92 3.928 3.928 4.049 -0.121 19221 18681 1 19 . 1 1 92 92 VAL C C 92 177.767 177.767 176.623 1.144 19221 18682 1 19 . 1 1 92 92 VAL CA C 92 64.550 64.550 63.956 0.594 19221 18683 1 19 . 1 1 92 92 VAL CB C 92 32.790 32.790 33.400 -0.610 19221 18684 1 19 . 1 1 92 92 VAL H H 92 7.432 7.432 7.674 -0.242 19221 18685 1 19 . 1 1 93 93 GLN N N 93 117.250 117.250 120.506 -3.256 19221 18686 1 19 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.991 0.006 19221 18687 1 19 . 1 1 93 93 GLN C C 93 178.756 178.756 178.396 0.360 19221 18688 1 19 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.930 -1.370 19221 18689 1 19 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.772 -0.102 19221 18690 1 19 . 1 1 93 93 GLN H H 93 8.127 8.127 8.553 -0.426 19221 18691 1 19 . 1 1 94 94 ILE N N 94 118.013 118.013 121.146 -3.133 19221 18692 1 19 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.779 -0.139 19221 18693 1 19 . 1 1 94 94 ILE C C 94 176.252 176.252 178.542 -2.290 19221 18694 1 19 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.075 1.905 19221 18695 1 19 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.827 0.304 19221 18696 1 19 . 1 1 94 94 ILE H H 94 8.390 8.390 7.736 0.654 19221 18697 1 19 . 1 1 95 95 SER N N 95 112.220 112.220 116.294 -4.074 19221 18698 1 19 . 1 1 95 95 SER HA H 95 4.158 4.158 4.152 0.006 19221 18699 1 19 . 1 1 95 95 SER C C 95 174.893 174.893 176.006 -1.113 19221 18700 1 19 . 1 1 95 95 SER CA C 95 59.890 59.890 61.113 -1.223 19221 18701 1 19 . 1 1 95 95 SER CB C 95 63.170 63.170 62.801 0.369 19221 18702 1 19 . 1 1 95 95 SER H H 95 7.227 7.227 8.256 -1.029 19221 18703 1 19 . 1 1 96 96 LYS N N 96 119.000 119.000 119.516 -0.516 19221 18704 1 19 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.106 0.219 19221 18705 1 19 . 1 1 96 96 LYS C C 96 175.903 175.903 176.186 -0.283 19221 18706 1 19 . 1 1 96 96 LYS CA C 96 56.600 56.600 58.040 -1.440 19221 18707 1 19 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.137 0.803 19221 18708 1 19 . 1 1 96 96 LYS H H 96 7.250 7.250 7.607 -0.357 19221 18709 1 19 . 1 1 97 97 ILE N N 97 120.530 120.530 119.675 0.855 19221 18710 1 19 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.536 0.063 19221 18711 1 19 . 1 1 97 97 ILE C C 97 173.784 173.784 174.058 -0.274 19221 18712 1 19 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.837 -0.425 19221 18713 1 19 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.082 -2.522 19221 18714 1 19 . 1 1 97 97 ILE H H 97 7.713 7.713 7.488 0.225 19221 18715 1 19 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.370 -0.077 19221 18716 1 19 . 1 1 98 98 PRO C C 98 178.885 178.885 178.644 0.241 19221 18717 1 19 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.401 0.919 19221 18718 1 19 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.123 0.147 19221 18719 1 19 . 1 1 99 99 ILE N N 99 115.600 115.600 118.514 -2.914 19221 18720 1 19 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.914 0.378 19221 18721 1 19 . 1 1 99 99 ILE C C 99 177.025 177.025 177.339 -0.314 19221 18722 1 19 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.729 -0.949 19221 18723 1 19 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.932 0.148 19221 18724 1 19 . 1 1 99 99 ILE H H 99 8.552 8.552 8.011 0.541 19221 18725 1 19 . 1 1 100 100 LEU N N 100 119.430 119.430 120.795 -1.365 19221 18726 1 19 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.071 0.152 19221 18727 1 19 . 1 1 100 100 LEU C C 100 178.223 178.223 179.453 -1.230 19221 18728 1 19 . 1 1 100 100 LEU CA C 100 57.110 57.110 58.090 -0.980 19221 18729 1 19 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.263 0.957 19221 18730 1 19 . 1 1 100 100 LEU H H 100 7.404 7.404 7.593 -0.189 19221 18731 1 19 . 1 1 101 101 ALA N N 101 121.390 121.390 121.410 -0.020 19221 18732 1 19 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.995 -0.078 19221 18733 1 19 . 1 1 101 101 ALA C C 101 181.827 181.827 180.091 1.736 19221 18734 1 19 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.896 0.514 19221 18735 1 19 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.155 -0.205 19221 18736 1 19 . 1 1 101 101 ALA H H 101 7.839 7.839 8.234 -0.395 19221 18737 1 19 . 1 1 102 102 GLN N N 102 115.470 115.470 116.045 -0.575 19221 18738 1 19 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.010 0.067 19221 18739 1 19 . 1 1 102 102 GLN C C 102 176.572 176.572 176.823 -0.251 19221 18740 1 19 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.895 -0.315 19221 18741 1 19 . 1 1 102 102 GLN CB C 102 28.630 28.630 28.982 -0.352 19221 18742 1 19 . 1 1 102 102 GLN H H 102 8.276 8.276 7.895 0.381 19221 18743 1 19 . 1 1 103 103 HIS N N 103 115.980 115.980 115.142 0.838 19221 18744 1 19 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.732 0.392 19221 18745 1 19 . 1 1 103 103 HIS C C 103 175.326 175.326 175.228 0.098 19221 18746 1 19 . 1 1 103 103 HIS CA C 103 56.350 56.350 55.334 1.016 19221 18747 1 19 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.575 1.415 19221 18748 1 19 . 1 1 103 103 HIS H H 103 7.450 7.450 7.757 -0.307 19221 18749 1 19 . 1 1 104 104 GLU N N 104 122.920 122.920 121.953 0.967 19221 18750 1 19 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.961 -0.148 19221 18751 1 19 . 1 1 104 104 GLU C C 104 177.960 177.960 177.897 0.063 19221 18752 1 19 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.998 0.512 19221 18753 1 19 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.745 -0.246 19221 18754 1 19 . 1 1 104 104 GLU H H 104 7.332 7.332 7.615 -0.283 19221 18755 1 19 . 1 1 105 105 SER N N 105 113.180 113.180 115.016 -1.836 19221 18756 1 19 . 1 1 105 105 SER HA H 105 4.234 4.234 4.328 -0.094 19221 18757 1 19 . 1 1 105 105 SER C C 105 177.512 177.512 177.004 0.508 19221 18758 1 19 . 1 1 105 105 SER CA C 105 62.100 62.100 61.748 0.352 19221 18759 1 19 . 1 1 105 105 SER CB C 105 62.100 62.100 62.720 -0.620 19221 18760 1 19 . 1 1 105 105 SER H H 105 8.931 8.931 8.743 0.188 19221 18761 1 19 . 1 1 106 106 PHE N N 106 123.770 123.770 122.035 1.735 19221 18762 1 19 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.362 0.065 19221 18763 1 19 . 1 1 106 106 PHE C C 106 178.007 178.007 177.871 0.136 19221 18764 1 19 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.592 -0.202 19221 18765 1 19 . 1 1 106 106 PHE CB C 106 39.130 39.130 38.499 0.631 19221 18766 1 19 . 1 1 106 106 PHE H H 106 8.040 8.040 7.963 0.077 19221 18767 1 19 . 1 1 107 107 LEU N N 107 121.397 121.397 120.243 1.154 19221 18768 1 19 . 1 1 107 107 LEU HA H 107 4.006 4.006 4.063 -0.057 19221 18769 1 19 . 1 1 107 107 LEU C C 107 178.165 178.165 179.166 -1.001 19221 18770 1 19 . 1 1 107 107 LEU CA C 107 58.280 58.280 57.989 0.291 19221 18771 1 19 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.515 0.654 19221 18772 1 19 . 1 1 107 107 LEU H H 107 8.481 8.481 8.719 -0.238 19221 18773 1 19 . 1 1 108 108 ARG N N 108 117.450 117.450 119.945 -2.495 19221 18774 1 19 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.916 0.223 19221 18775 1 19 . 1 1 108 108 ARG C C 108 178.343 178.343 178.385 -0.042 19221 18776 1 19 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.227 -0.647 19221 18777 1 19 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.165 -0.995 19221 18778 1 19 . 1 1 108 108 ARG H H 108 8.480 8.480 8.607 -0.127 19221 18779 1 19 . 1 1 109 109 GLN N N 109 119.098 119.098 118.122 0.976 19221 18780 1 19 . 1 1 109 109 GLN HA H 109 4.075 4.075 3.976 0.099 19221 18781 1 19 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.330 -0.035 19221 18782 1 19 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.507 1.001 19221 18783 1 19 . 1 1 109 109 GLN H H 109 7.886 7.886 8.272 -0.386 19221 18784 1 19 . 1 1 110 110 LYS N N 110 121.110 121.110 121.118 -0.008 19221 18785 1 19 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.148 -0.160 19221 18786 1 19 . 1 1 110 110 LYS C C 110 178.368 178.368 178.931 -0.563 19221 18787 1 19 . 1 1 110 110 LYS CA C 110 61.550 61.550 59.028 2.522 19221 18788 1 19 . 1 1 110 110 LYS CB C 110 30.260 30.260 32.025 -1.765 19221 18789 1 19 . 1 1 110 110 LYS H H 110 8.356 8.356 8.187 0.169 19221 18790 1 19 . 1 1 111 111 ILE N N 111 116.870 116.870 120.712 -3.842 19221 18791 1 19 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.806 0.092 19221 18792 1 19 . 1 1 111 111 ILE C C 111 178.036 178.036 177.116 0.920 19221 18793 1 19 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.710 0.391 19221 18794 1 19 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.636 -0.721 19221 18795 1 19 . 1 1 111 111 ILE H H 111 7.848 7.848 8.283 -0.435 19221 18796 1 19 . 1 1 112 112 CYS N N 112 123.990 123.990 118.387 5.603 19221 18797 1 19 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.070 0.011 19221 18798 1 19 . 1 1 112 112 CYS C C 112 176.276 176.276 176.622 -0.346 19221 18799 1 19 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.215 1.185 19221 18800 1 19 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.250 0.120 19221 18801 1 19 . 1 1 112 112 CYS H H 112 7.473 7.473 7.303 0.170 19221 18802 1 19 . 1 1 113 113 LEU N N 113 120.218 120.218 121.742 -1.524 19221 18803 1 19 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.758 0.085 19221 18804 1 19 . 1 1 113 113 LEU C C 113 178.584 178.584 178.984 -0.400 19221 18805 1 19 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.454 0.066 19221 18806 1 19 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.432 1.117 19221 18807 1 19 . 1 1 113 113 LEU H H 113 8.443 8.443 8.759 -0.316 19221 18808 1 19 . 1 1 114 114 MET N N 114 116.910 116.910 118.032 -1.122 19221 18809 1 19 . 1 1 114 114 MET HA H 114 3.952 3.952 4.089 -0.137 19221 18810 1 19 . 1 1 114 114 MET C C 114 178.724 178.724 178.483 0.241 19221 18811 1 19 . 1 1 114 114 MET CA C 114 60.070 60.070 58.542 1.528 19221 18812 1 19 . 1 1 114 114 MET CB C 114 32.910 32.910 31.822 1.088 19221 18813 1 19 . 1 1 114 114 MET H H 114 8.840 8.840 8.718 0.122 19221 18814 1 19 . 1 1 115 115 THR N N 115 115.670 115.670 116.535 -0.865 19221 18815 1 19 . 1 1 115 115 THR HA H 115 4.083 4.083 4.067 0.016 19221 18816 1 19 . 1 1 115 115 THR C C 115 177.434 177.434 176.901 0.533 19221 18817 1 19 . 1 1 115 115 THR CA C 115 66.740 66.740 67.098 -0.358 19221 18818 1 19 . 1 1 115 115 THR CB C 115 68.630 68.630 68.570 0.060 19221 18819 1 19 . 1 1 115 115 THR H H 115 8.095 8.095 8.004 0.091 19221 18820 1 19 . 1 1 116 116 LEU N N 116 125.420 125.420 123.884 1.536 19221 18821 1 19 . 1 1 116 116 LEU HA H 116 3.855 3.855 3.940 -0.085 19221 18822 1 19 . 1 1 116 116 LEU C C 116 176.903 176.903 177.973 -1.070 19221 18823 1 19 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.404 0.532 19221 18824 1 19 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.676 0.000 19221 18825 1 19 . 1 1 116 116 LEU H H 116 8.164 8.164 8.091 0.073 19221 18826 1 19 . 1 1 117 117 ILE N N 117 114.740 114.740 118.931 -4.191 19221 18827 1 19 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.400 0.219 19221 18828 1 19 . 1 1 117 117 ILE C C 117 177.806 177.806 177.844 -0.038 19221 18829 1 19 . 1 1 117 117 ILE CA C 117 64.590 64.590 66.002 -1.412 19221 18830 1 19 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.349 -0.989 19221 18831 1 19 . 1 1 117 117 ILE H H 117 8.032 8.032 8.111 -0.079 19221 18832 1 19 . 1 1 118 118 GLU N N 118 121.200 121.200 119.963 1.237 19221 18833 1 19 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.014 0.186 19221 18834 1 19 . 1 1 118 118 GLU C C 118 178.314 178.314 179.088 -0.774 19221 18835 1 19 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.250 -0.270 19221 18836 1 19 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.725 -0.345 19221 18837 1 19 . 1 1 118 118 GLU H H 118 8.176 8.176 8.530 -0.354 19221 18838 1 19 . 1 1 119 119 THR N N 119 114.460 114.460 116.910 -2.450 19221 18839 1 19 . 1 1 119 119 THR HA H 119 3.917 3.917 4.019 -0.102 19221 18840 1 19 . 1 1 119 119 THR C C 119 175.551 175.551 177.073 -1.522 19221 18841 1 19 . 1 1 119 119 THR CA C 119 67.470 67.470 66.938 0.532 19221 18842 1 19 . 1 1 119 119 THR CB C 119 69.110 69.110 68.586 0.524 19221 18843 1 19 . 1 1 119 119 THR H H 119 8.008 8.008 8.336 -0.328 19221 18844 1 19 . 1 1 120 120 VAL N N 120 118.050 118.050 121.284 -3.234 19221 18845 1 19 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.716 -0.096 19221 18846 1 19 . 1 1 120 120 VAL C C 120 178.213 178.213 178.193 0.020 19221 18847 1 19 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.591 -0.571 19221 18848 1 19 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.128 0.702 19221 18849 1 19 . 1 1 120 120 VAL H H 120 7.800 7.800 8.441 -0.641 19221 18850 1 19 . 1 1 121 121 PHE N N 121 118.360 118.360 121.569 -3.209 19221 18851 1 19 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.166 0.054 19221 18852 1 19 . 1 1 121 121 PHE C C 121 178.739 178.739 178.146 0.593 19221 18853 1 19 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.609 -0.069 19221 18854 1 19 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.223 0.907 19221 18855 1 19 . 1 1 121 121 PHE H H 121 8.370 8.370 8.484 -0.114 19221 18856 1 19 . 1 1 122 122 VAL N N 122 118.710 118.710 119.864 -1.154 19221 18857 1 19 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.629 -0.004 19221 18858 1 19 . 1 1 122 122 VAL C C 122 178.247 178.247 177.336 0.911 19221 18859 1 19 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.636 0.214 19221 18860 1 19 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.494 0.387 19221 18861 1 19 . 1 1 122 122 VAL H H 122 8.959 8.959 8.643 0.316 19221 18862 1 19 . 1 1 123 123 LYS N N 123 115.960 115.960 116.285 -0.325 19221 18863 1 19 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.351 -0.035 19221 18864 1 19 . 1 1 123 123 LYS C C 123 176.148 176.148 175.708 0.440 19221 18865 1 19 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.540 0.990 19221 18866 1 19 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.338 -0.308 19221 18867 1 19 . 1 1 123 123 LYS H H 123 7.688 7.688 8.027 -0.339 19221 18868 1 19 . 1 1 124 124 ASN N N 124 117.440 117.440 117.603 -0.163 19221 18869 1 19 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.318 0.026 19221 18870 1 19 . 1 1 124 124 ASN C C 124 174.205 174.205 175.062 -0.857 19221 18871 1 19 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.782 0.138 19221 18872 1 19 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.346 -0.276 19221 18873 1 19 . 1 1 124 124 ASN H H 124 7.560 7.560 7.503 0.057 19221 18874 1 19 . 1 1 125 125 ILE N N 125 116.780 116.780 117.493 -0.713 19221 18875 1 19 . 1 1 125 125 ILE HA H 125 4.110 4.110 3.907 0.203 19221 18876 1 19 . 1 1 125 125 ILE C C 125 175.909 175.909 175.569 0.340 19221 18877 1 19 . 1 1 125 125 ILE CA C 125 61.570 61.570 62.128 -0.558 19221 18878 1 19 . 1 1 125 125 ILE CB C 125 39.970 39.970 37.954 2.016 19221 18879 1 19 . 1 1 125 125 ILE H H 125 7.658 7.658 7.939 -0.281 19221 18880 1 19 . 1 1 126 126 ARG N N 126 122.400 122.400 121.551 0.849 19221 18881 1 19 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.661 -0.030 19221 18882 1 19 . 1 1 126 126 ARG C C 126 175.296 175.296 175.948 -0.652 19221 18883 1 19 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.520 -0.310 19221 18884 1 19 . 1 1 126 126 ARG CB C 126 31.217 31.217 32.215 -0.998 19221 18885 1 19 . 1 1 126 126 ARG H H 126 8.658 8.658 8.523 0.135 19221 18886 1 19 . 1 1 127 127 MET N N 127 119.870 119.870 119.308 0.562 19221 18887 1 19 . 1 1 127 127 MET HA H 127 5.412 5.412 5.222 0.190 19221 18888 1 19 . 1 1 127 127 MET C C 127 174.169 174.169 173.880 0.289 19221 18889 1 19 . 1 1 127 127 MET CA C 127 55.130 55.130 54.564 0.566 19221 18890 1 19 . 1 1 127 127 MET CB C 127 35.300 35.300 35.949 -0.649 19221 18891 1 19 . 1 1 127 127 MET H H 127 7.487 7.487 7.685 -0.198 19221 18892 1 19 . 1 1 128 128 LEU N N 128 124.940 124.940 123.530 1.410 19221 18893 1 19 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.946 -0.056 19221 18894 1 19 . 1 1 128 128 LEU C C 128 174.857 174.857 174.670 0.187 19221 18895 1 19 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.767 0.403 19221 18896 1 19 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.237 -1.147 19221 18897 1 19 . 1 1 128 128 LEU H H 128 8.961 8.961 8.851 0.110 19221 18898 1 19 . 1 1 129 129 SER N N 129 119.080 119.080 114.598 4.482 19221 18899 1 19 . 1 1 129 129 SER HA H 129 5.503 5.503 5.222 0.281 19221 18900 1 19 . 1 1 129 129 SER C C 129 176.225 176.225 175.565 0.660 19221 18901 1 19 . 1 1 129 129 SER CA C 129 56.630 56.630 57.041 -0.411 19221 18902 1 19 . 1 1 129 129 SER CB C 129 66.030 66.030 65.188 0.842 19221 18903 1 19 . 1 1 129 129 SER H H 129 9.512 9.512 8.265 1.247 19221 18904 1 19 . 1 1 130 130 PHE N N 130 120.530 120.530 123.755 -3.225 19221 18905 1 19 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.088 0.352 19221 18906 1 19 . 1 1 130 130 PHE C C 130 179.046 179.046 177.612 1.434 19221 18907 1 19 . 1 1 130 130 PHE CA C 130 58.730 58.730 60.324 -1.594 19221 18908 1 19 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.114 -1.594 19221 18909 1 19 . 1 1 130 130 PHE H H 130 8.712 8.712 9.321 -0.609 19221 18910 1 19 . 1 1 131 131 GLU N N 131 121.180 121.180 120.148 1.032 19221 18911 1 19 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.818 0.207 19221 18912 1 19 . 1 1 131 131 GLU C C 131 178.039 178.039 178.254 -0.215 19221 18913 1 19 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.541 -0.672 19221 18914 1 19 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.120 0.350 19221 18915 1 19 . 1 1 131 131 GLU H H 131 8.961 8.961 8.772 0.189 19221 18916 1 19 . 1 1 132 132 ASP N N 132 120.930 120.930 118.695 2.235 19221 18917 1 19 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.450 -0.053 19221 18918 1 19 . 1 1 132 132 ASP C C 132 180.369 180.369 178.801 1.568 19221 18919 1 19 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.171 0.519 19221 18920 1 19 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.595 0.145 19221 18921 1 19 . 1 1 132 132 ASP H H 132 8.369 8.369 7.749 0.620 19221 18922 1 19 . 1 1 133 133 ILE N N 133 120.360 120.360 120.183 0.177 19221 18923 1 19 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.642 -0.133 19221 18924 1 19 . 1 1 133 133 ILE C C 133 178.895 178.895 178.458 0.437 19221 18925 1 19 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.371 0.909 19221 18926 1 19 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.886 -0.356 19221 18927 1 19 . 1 1 133 133 ILE H H 133 8.062 8.062 8.061 0.001 19221 18928 1 19 . 1 1 134 134 SER N N 134 120.050 120.050 117.693 2.357 19221 18929 1 19 . 1 1 134 134 SER HA H 134 4.074 4.074 4.197 -0.123 19221 18930 1 19 . 1 1 134 134 SER C C 134 176.934 176.934 176.585 0.349 19221 18931 1 19 . 1 1 134 134 SER CA C 134 61.240 61.240 61.916 -0.676 19221 18932 1 19 . 1 1 134 134 SER CB C 134 63.400 63.400 62.953 0.447 19221 18933 1 19 . 1 1 134 134 SER H H 134 8.823 8.823 8.415 0.407 19221 18934 1 19 . 1 1 135 135 LYS N N 135 119.060 119.060 120.934 -1.874 19221 18935 1 19 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.915 0.015 19221 18936 1 19 . 1 1 135 135 LYS C C 135 178.986 178.986 178.619 0.367 19221 18937 1 19 . 1 1 135 135 LYS CA C 135 59.270 59.270 59.249 0.021 19221 18938 1 19 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.359 0.111 19221 18939 1 19 . 1 1 135 135 LYS H H 135 8.258 8.258 8.258 0.000 19221 18940 1 19 . 1 1 136 136 ALA N N 136 118.350 118.350 120.885 -2.535 19221 18941 1 19 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.200 0.002 19221 18942 1 19 . 1 1 136 136 ALA C C 136 178.653 178.653 178.763 -0.110 19221 18943 1 19 . 1 1 136 136 ALA CA C 136 54.480 54.480 55.089 -0.609 19221 18944 1 19 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.029 -0.188 19221 18945 1 19 . 1 1 136 136 ALA H H 136 7.538 7.538 7.720 -0.182 19221 18946 1 19 . 1 1 137 137 THR N N 137 101.770 101.770 109.789 -8.019 19221 18947 1 19 . 1 1 137 137 THR HA H 137 4.274 4.274 4.088 0.186 19221 18948 1 19 . 1 1 137 137 THR C C 137 172.932 172.932 175.092 -2.160 19221 18949 1 19 . 1 1 137 137 THR CA C 137 61.990 61.990 64.016 -2.026 19221 18950 1 19 . 1 1 137 137 THR CB C 137 71.200 71.200 69.951 1.248 19221 18951 1 19 . 1 1 137 137 THR H H 137 7.777 7.777 8.172 -0.395 19221 18952 1 19 . 1 1 138 138 HIS N N 138 113.660 113.660 118.047 -4.387 19221 18953 1 19 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.028 -0.069 19221 18954 1 19 . 1 1 138 138 HIS C C 138 173.700 173.700 174.132 -0.432 19221 18955 1 19 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.134 -0.804 19221 18956 1 19 . 1 1 138 138 HIS CB C 138 25.410 25.410 28.087 -2.677 19221 18957 1 19 . 1 1 138 138 HIS H H 138 7.567 7.567 7.841 -0.274 19221 18958 1 19 . 1 1 139 139 LEU N N 139 120.070 120.070 120.307 -0.237 19221 18959 1 19 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.750 0.093 19221 18960 1 19 . 1 1 139 139 LEU C C 139 174.376 174.376 175.368 -0.992 19221 18961 1 19 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.299 -0.429 19221 18962 1 19 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.156 2.594 19221 18963 1 19 . 1 1 139 139 LEU H H 139 7.513 7.513 7.366 0.147 19221 18964 1 19 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.509 -0.118 19221 18965 1 19 . 1 1 140 140 PRO C C 140 177.985 177.985 177.797 0.188 19221 18966 1 19 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.179 0.211 19221 18967 1 19 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.839 -0.769 19221 18968 1 19 . 1 1 141 141 LYS N N 141 123.930 123.930 121.237 2.693 19221 18969 1 19 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.953 -0.134 19221 18970 1 19 . 1 1 141 141 LYS C C 141 178.083 178.083 178.613 -0.530 19221 18971 1 19 . 1 1 141 141 LYS CA C 141 60.830 60.830 59.806 1.024 19221 18972 1 19 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.155 -0.265 19221 18973 1 19 . 1 1 141 141 LYS H H 141 8.950 8.950 8.625 0.325 19221 18974 1 19 . 1 1 142 142 ASP N N 142 114.510 114.510 114.754 -0.244 19221 18975 1 19 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.480 0.015 19221 18976 1 19 . 1 1 142 142 ASP C C 142 176.656 176.656 176.984 -0.328 19221 18977 1 19 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.009 -0.419 19221 18978 1 19 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.839 -1.099 19221 18979 1 19 . 1 1 142 142 ASP H H 142 8.491 8.491 8.502 -0.011 19221 18980 1 19 . 1 1 143 143 ASN N N 143 116.400 116.400 115.355 1.045 19221 18981 1 19 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.826 0.240 19221 18982 1 19 . 1 1 143 143 ASN C C 143 175.954 175.954 176.152 -0.198 19221 18983 1 19 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.676 -0.456 19221 18984 1 19 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.999 -0.049 19221 18985 1 19 . 1 1 143 143 ASN H H 143 8.191 8.191 7.785 0.406 19221 18986 1 19 . 1 1 144 144 VAL N N 144 120.490 120.490 121.663 -1.173 19221 18987 1 19 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.621 -0.298 19221 18988 1 19 . 1 1 144 144 VAL C C 144 176.423 176.423 176.249 0.174 19221 18989 1 19 . 1 1 144 144 VAL CA C 144 66.990 66.990 65.099 1.891 19221 18990 1 19 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.546 -0.106 19221 18991 1 19 . 1 1 144 144 VAL H H 144 7.472 7.472 7.952 -0.480 19221 18992 1 19 . 1 1 145 145 GLU N N 145 122.340 122.340 119.224 3.116 19221 18993 1 19 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.422 -0.161 19221 18994 1 19 . 1 1 145 145 GLU C C 145 177.853 177.853 178.004 -0.151 19221 18995 1 19 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.379 1.451 19221 18996 1 19 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.301 0.509 19221 18997 1 19 . 1 1 145 145 GLU H H 145 9.141 9.141 7.895 1.246 19221 18998 1 19 . 1 1 146 146 HIS N N 146 116.970 116.970 118.819 -1.849 19221 18999 1 19 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.384 -0.210 19221 19000 1 19 . 1 1 146 146 HIS C C 146 177.947 177.947 177.737 0.210 19221 19001 1 19 . 1 1 146 146 HIS CA C 146 59.540 59.540 58.083 1.457 19221 19002 1 19 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.538 0.912 19221 19003 1 19 . 1 1 146 146 HIS H H 146 8.162 8.162 7.239 0.923 19221 19004 1 19 . 1 1 147 147 LEU N N 147 120.670 120.670 121.076 -0.406 19221 19005 1 19 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.080 -0.120 19221 19006 1 19 . 1 1 147 147 LEU C C 147 178.427 178.427 178.672 -0.245 19221 19007 1 19 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.120 0.150 19221 19008 1 19 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.429 0.307 19221 19009 1 19 . 1 1 147 147 LEU H H 147 7.336 7.336 7.423 -0.087 19221 19010 1 19 . 1 1 148 148 VAL N N 148 118.060 118.060 116.268 1.792 19221 19011 1 19 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.656 -0.433 19221 19012 1 19 . 1 1 148 148 VAL C C 148 177.801 177.801 177.788 0.013 19221 19013 1 19 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.954 1.007 19221 19014 1 19 . 1 1 148 148 VAL CB C 148 31.010 31.010 31.269 -0.259 19221 19015 1 19 . 1 1 148 148 VAL H H 148 8.172 8.172 7.717 0.455 19221 19016 1 19 . 1 1 149 149 MET N N 149 117.770 117.770 119.721 -1.951 19221 19017 1 19 . 1 1 149 149 MET HA H 149 4.123 4.123 4.030 0.093 19221 19018 1 19 . 1 1 149 149 MET C C 149 179.823 179.823 178.711 1.112 19221 19019 1 19 . 1 1 149 149 MET CA C 149 58.630 58.630 59.560 -0.930 19221 19020 1 19 . 1 1 149 149 MET CB C 149 31.496 31.496 32.030 -0.534 19221 19021 1 19 . 1 1 149 149 MET H H 149 8.585 8.585 8.463 0.122 19221 19022 1 19 . 1 1 150 150 ARG N N 150 121.900 121.900 119.416 2.484 19221 19023 1 19 . 1 1 150 150 ARG HA H 150 4.094 4.094 3.984 0.110 19221 19024 1 19 . 1 1 150 150 ARG C C 150 177.928 177.928 178.253 -0.325 19221 19025 1 19 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.322 -1.173 19221 19026 1 19 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.783 -1.033 19221 19027 1 19 . 1 1 150 150 ARG H H 150 8.160 8.160 8.181 -0.021 19221 19028 1 19 . 1 1 151 151 ALA N N 151 121.710 121.710 122.456 -0.746 19221 19029 1 19 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.903 -0.105 19221 19030 1 19 . 1 1 151 151 ALA C C 151 179.518 179.518 179.292 0.226 19221 19031 1 19 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.129 0.611 19221 19032 1 19 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.319 -0.429 19221 19033 1 19 . 1 1 151 151 ALA H H 151 8.165 8.165 7.718 0.447 19221 19034 1 19 . 1 1 152 152 ILE N N 152 118.590 118.590 118.400 0.190 19221 19035 1 19 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.735 0.647 19221 19036 1 19 . 1 1 152 152 ILE C C 152 181.439 181.439 179.156 2.283 19221 19037 1 19 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.685 -0.125 19221 19038 1 19 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.861 0.839 19221 19039 1 19 . 1 1 152 152 ILE H H 152 8.331 8.331 8.163 0.168 19221 19040 1 19 . 1 1 153 153 SER N N 153 120.250 120.250 116.756 3.494 19221 19041 1 19 . 1 1 153 153 SER HA H 153 4.279 4.279 4.227 0.052 19221 19042 1 19 . 1 1 153 153 SER C C 153 176.745 176.745 176.059 0.686 19221 19043 1 19 . 1 1 153 153 SER CA C 153 62.040 62.040 61.618 0.422 19221 19044 1 19 . 1 1 153 153 SER CB C 153 62.930 62.930 63.085 -0.155 19221 19045 1 19 . 1 1 153 153 SER H H 153 8.756 8.756 8.138 0.618 19221 19046 1 19 . 1 1 154 154 LEU N N 154 119.480 119.480 118.504 0.976 19221 19047 1 19 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.158 0.187 19221 19048 1 19 . 1 1 154 154 LEU C C 154 177.351 177.351 177.357 -0.006 19221 19049 1 19 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.596 -0.141 19221 19050 1 19 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.983 2.017 19221 19051 1 19 . 1 1 154 154 LEU H H 154 8.129 8.129 7.893 0.236 19221 19052 1 19 . 1 1 155 155 GLY N N 155 106.990 106.990 106.815 0.175 19221 19053 1 19 . 1 1 155 155 GLY C C 155 174.867 174.867 175.397 -0.530 19221 19054 1 19 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.170 -0.370 19221 19055 1 19 . 1 1 155 155 GLY H H 155 8.023 8.023 7.782 0.241 19221 19056 1 19 . 1 1 156 156 LEU N N 156 116.510 116.510 118.547 -2.037 19221 19057 1 19 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.073 0.187 19221 19058 1 19 . 1 1 156 156 LEU C C 156 175.387 175.387 176.282 -0.895 19221 19059 1 19 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.116 -0.186 19221 19060 1 19 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.489 0.731 19221 19061 1 19 . 1 1 156 156 LEU H H 156 8.101 8.101 7.540 0.561 19221 19062 1 19 . 1 1 157 157 LEU N N 157 112.790 112.790 109.771 3.019 19221 19063 1 19 . 1 1 157 157 LEU HA H 157 5.000 5.000 4.607 0.393 19221 19064 1 19 . 1 1 157 157 LEU C C 157 175.382 175.382 175.035 0.347 19221 19065 1 19 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.276 0.364 19221 19066 1 19 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.435 1.125 19221 19067 1 19 . 1 1 157 157 LEU H H 157 7.194 7.194 7.230 -0.036 19221 19068 1 19 . 1 1 158 158 LYS N N 158 121.010 121.010 120.382 0.628 19221 19069 1 19 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.763 0.032 19221 19070 1 19 . 1 1 158 158 LYS C C 158 175.461 175.461 175.622 -0.161 19221 19071 1 19 . 1 1 158 158 LYS CA C 158 56.060 56.060 54.864 1.196 19221 19072 1 19 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.489 2.701 19221 19073 1 19 . 1 1 158 158 LYS H H 158 9.056 9.056 8.570 0.486 19221 19074 1 19 . 1 1 159 159 GLY N N 159 109.800 109.800 110.578 -0.778 19221 19075 1 19 . 1 1 159 159 GLY C C 159 170.992 170.992 172.876 -1.884 19221 19076 1 19 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.436 0.704 19221 19077 1 19 . 1 1 159 159 GLY H H 159 8.287 8.287 8.039 0.248 19221 19078 1 19 . 1 1 160 160 SER N N 160 112.940 112.940 114.957 -2.017 19221 19079 1 19 . 1 1 160 160 SER HA H 160 4.780 4.780 4.737 0.043 19221 19080 1 19 . 1 1 160 160 SER C C 160 172.525 172.525 173.334 -0.809 19221 19081 1 19 . 1 1 160 160 SER CA C 160 56.840 56.840 57.417 -0.577 19221 19082 1 19 . 1 1 160 160 SER CB C 160 65.660 65.660 66.058 -0.398 19221 19083 1 19 . 1 1 160 160 SER H H 160 8.847 8.847 8.842 0.005 19221 19084 1 19 . 1 1 161 161 ILE N N 161 123.020 123.020 124.324 -1.304 19221 19085 1 19 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.097 0.309 19221 19086 1 19 . 1 1 161 161 ILE C C 161 174.457 174.457 175.715 -1.258 19221 19087 1 19 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.504 -0.085 19221 19088 1 19 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.638 1.590 19221 19089 1 19 . 1 1 161 161 ILE H H 161 8.867 8.867 8.728 0.139 19221 19090 1 19 . 1 1 162 162 ASP N N 162 128.130 128.130 125.490 2.640 19221 19091 1 19 . 1 1 162 162 ASP HA H 162 4.916 4.916 5.006 -0.090 19221 19092 1 19 . 1 1 162 162 ASP C C 162 176.575 176.575 176.417 0.158 19221 19093 1 19 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.892 -1.152 19221 19094 1 19 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.929 0.211 19221 19095 1 19 . 1 1 162 162 ASP H H 162 8.955 8.955 8.596 0.359 19221 19096 1 19 . 1 1 163 163 GLN N N 163 123.480 123.480 120.624 2.856 19221 19097 1 19 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.696 0.157 19221 19098 1 19 . 1 1 163 163 GLN C C 163 177.627 177.627 177.288 0.339 19221 19099 1 19 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.493 0.717 19221 19100 1 19 . 1 1 163 163 GLN CB C 163 28.920 28.920 27.800 1.120 19221 19101 1 19 . 1 1 163 163 GLN H H 163 8.982 8.982 8.802 0.180 19221 19102 1 19 . 1 1 164 164 VAL N N 164 119.220 119.220 116.864 2.356 19221 19103 1 19 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.783 -0.100 19221 19104 1 19 . 1 1 164 164 VAL C C 164 177.519 177.519 176.432 1.087 19221 19105 1 19 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.713 1.057 19221 19106 1 19 . 1 1 164 164 VAL CB C 164 31.930 31.930 30.695 1.235 19221 19107 1 19 . 1 1 164 164 VAL H H 164 7.974 7.974 7.978 -0.004 19221 19108 1 19 . 1 1 165 165 ASN N N 165 114.430 114.430 116.052 -1.622 19221 19109 1 19 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.806 -0.205 19221 19110 1 19 . 1 1 165 165 ASN C C 165 172.795 172.795 173.914 -1.119 19221 19111 1 19 . 1 1 165 165 ASN CA C 165 52.900 52.900 52.646 0.254 19221 19112 1 19 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.429 -0.599 19221 19113 1 19 . 1 1 165 165 ASN H H 165 7.502 7.502 7.757 -0.255 19221 19114 1 19 . 1 1 166 166 GLU N N 166 116.970 116.970 115.507 1.463 19221 19115 1 19 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.815 -0.801 19221 19116 1 19 . 1 1 166 166 GLU C C 166 174.562 174.562 174.017 0.545 19221 19117 1 19 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.945 -0.717 19221 19118 1 19 . 1 1 166 166 GLU CB C 166 26.816 26.816 26.827 -0.011 19221 19119 1 19 . 1 1 166 166 GLU H H 166 7.268 7.268 7.832 -0.564 19221 19120 1 19 . 1 1 167 167 LEU N N 167 117.360 117.360 115.814 1.546 19221 19121 1 19 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.128 -0.130 19221 19122 1 19 . 1 1 167 167 LEU C C 167 175.659 175.659 175.674 -0.015 19221 19123 1 19 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.058 0.612 19221 19124 1 19 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.061 1.249 19221 19125 1 19 . 1 1 167 167 LEU H H 167 7.699 7.699 7.287 0.412 19221 19126 1 19 . 1 1 168 168 VAL N N 168 125.350 125.350 118.089 7.261 19221 19127 1 19 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.731 0.108 19221 19128 1 19 . 1 1 168 168 VAL C C 168 174.792 174.792 174.963 -0.171 19221 19129 1 19 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.386 -0.256 19221 19130 1 19 . 1 1 168 168 VAL CB C 168 34.349 34.349 35.860 -1.511 19221 19131 1 19 . 1 1 168 168 VAL H H 168 9.445 9.445 8.940 0.505 19221 19132 1 19 . 1 1 169 169 THR N N 169 123.020 123.020 122.936 0.084 19221 19133 1 19 . 1 1 169 169 THR HA H 169 4.869 4.869 5.003 -0.134 19221 19134 1 19 . 1 1 169 169 THR C C 169 173.876 173.876 173.713 0.163 19221 19135 1 19 . 1 1 169 169 THR CA C 169 61.580 61.580 61.984 -0.404 19221 19136 1 19 . 1 1 169 169 THR CB C 169 69.750 69.750 69.764 -0.014 19221 19137 1 19 . 1 1 169 169 THR H H 169 8.824 8.824 9.107 -0.283 19221 19138 1 19 . 1 1 170 170 ILE N N 170 126.700 126.700 127.161 -0.461 19221 19139 1 19 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.506 0.036 19221 19140 1 19 . 1 1 170 170 ILE C C 170 175.672 175.672 175.779 -0.107 19221 19141 1 19 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.456 -0.126 19221 19142 1 19 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.451 -0.841 19221 19143 1 19 . 1 1 170 170 ILE H H 170 8.911 8.911 8.486 0.425 19221 19144 1 19 . 1 1 171 171 SER N N 171 122.780 122.780 119.000 3.780 19221 19145 1 19 . 1 1 171 171 SER HA H 171 4.670 4.670 4.723 -0.053 19221 19146 1 19 . 1 1 171 171 SER C C 171 174.700 174.700 173.383 1.317 19221 19147 1 19 . 1 1 171 171 SER CA C 171 58.280 58.280 59.078 -0.798 19221 19148 1 19 . 1 1 171 171 SER CB C 171 64.560 64.560 65.847 -1.288 19221 19149 1 19 . 1 1 171 171 SER H H 171 9.242 9.242 9.112 0.130 19221 19150 1 19 . 1 1 172 172 TRP N N 172 123.970 123.970 120.557 3.413 19221 19151 1 19 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.849 -0.214 19221 19152 1 19 . 1 1 172 172 TRP C C 172 172.618 172.618 173.639 -1.021 19221 19153 1 19 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.011 0.899 19221 19154 1 19 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.213 -0.563 19221 19155 1 19 . 1 1 172 172 TRP H H 172 7.929 7.929 7.556 0.373 19221 19156 1 19 . 1 1 173 173 VAL N N 173 123.660 123.660 121.744 1.916 19221 19157 1 19 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.212 -0.082 19221 19158 1 19 . 1 1 173 173 VAL C C 173 170.746 170.746 172.435 -1.689 19221 19159 1 19 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.510 -0.410 19221 19160 1 19 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.860 0.360 19221 19161 1 19 . 1 1 173 173 VAL H H 173 6.764 6.764 7.252 -0.488 19221 19162 1 19 . 1 1 174 174 GLN N N 174 126.430 126.430 126.606 -0.176 19221 19163 1 19 . 1 1 174 174 GLN HA H 174 3.606 3.606 4.265 -0.659 19221 19164 1 19 . 1 1 174 174 GLN C C 174 172.955 172.955 173.657 -0.702 19221 19165 1 19 . 1 1 174 174 GLN CA C 174 54.050 54.050 51.744 2.306 19221 19166 1 19 . 1 1 174 174 GLN CB C 174 29.760 29.760 29.865 -0.105 19221 19167 1 19 . 1 1 174 174 GLN H H 174 7.071 7.071 8.541 -1.470 19221 19168 1 19 . 1 1 175 175 PRO HA H 175 3.861 3.861 4.522 -0.661 19221 19169 1 19 . 1 1 175 175 PRO C C 175 175.955 175.955 177.948 -1.993 19221 19170 1 19 . 1 1 175 175 PRO CA C 175 62.750 62.750 62.324 0.426 19221 19171 1 19 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.422 -0.022 19221 19172 1 20 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.179 -0.039 19221 19173 1 20 . 1 1 2 2 LYS CA C 2 56.090 56.090 57.733 -1.643 19221 19174 1 20 . 1 1 2 2 LYS CB C 2 32.930 32.930 32.885 0.045 19221 19175 1 20 . 1 1 4 4 ASP C C 4 176.140 176.140 175.310 0.830 19221 19176 1 20 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.542 1.988 19221 19177 1 20 . 1 1 4 4 ASP CB C 4 41.980 41.980 43.162 -1.182 19221 19178 1 20 . 1 1 5 5 PHE N N 5 122.270 122.270 124.145 -1.875 19221 19179 1 20 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.401 -0.222 19221 19180 1 20 . 1 1 5 5 PHE C C 5 177.706 177.706 176.795 0.911 19221 19181 1 20 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.423 0.457 19221 19182 1 20 . 1 1 5 5 PHE CB C 5 38.900 38.900 39.089 -0.189 19221 19183 1 20 . 1 1 5 5 PHE H H 5 7.853 7.853 9.015 -1.162 19221 19184 1 20 . 1 1 6 6 ASN N N 6 114.920 114.920 118.020 -3.100 19221 19185 1 20 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.531 -0.130 19221 19186 1 20 . 1 1 6 6 ASN C C 6 176.990 176.990 177.549 -0.559 19221 19187 1 20 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.556 -0.085 19221 19188 1 20 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.456 0.767 19221 19189 1 20 . 1 1 6 6 ASN H H 6 8.051 8.051 9.121 -1.070 19221 19190 1 20 . 1 1 7 7 SER N N 7 112.970 112.970 117.332 -4.362 19221 19191 1 20 . 1 1 7 7 SER HA H 7 4.435 4.435 4.305 0.130 19221 19192 1 20 . 1 1 7 7 SER C C 7 177.780 177.780 176.731 1.049 19221 19193 1 20 . 1 1 7 7 SER CA C 7 61.440 61.440 62.274 -0.834 19221 19194 1 20 . 1 1 7 7 SER CB C 7 62.770 62.770 63.167 -0.397 19221 19195 1 20 . 1 1 7 7 SER H H 7 8.041 8.041 8.692 -0.651 19221 19196 1 20 . 1 1 8 8 PHE N N 8 123.560 123.560 123.759 -0.199 19221 19197 1 20 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.199 -0.132 19221 19198 1 20 . 1 1 8 8 PHE C C 8 177.959 177.959 177.336 0.623 19221 19199 1 20 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.851 0.259 19221 19200 1 20 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.298 -0.332 19221 19201 1 20 . 1 1 8 8 PHE H H 8 8.364 8.364 8.581 -0.217 19221 19202 1 20 . 1 1 9 9 TYR N N 9 122.550 122.550 121.478 1.072 19221 19203 1 20 . 1 1 9 9 TYR HA H 9 4.000 4.000 4.032 -0.032 19221 19204 1 20 . 1 1 9 9 TYR C C 9 176.360 176.360 176.789 -0.429 19221 19205 1 20 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.348 -0.338 19221 19206 1 20 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.498 -0.298 19221 19207 1 20 . 1 1 9 9 TYR H H 9 8.230 8.230 9.078 -0.848 19221 19208 1 20 . 1 1 10 10 TYR N N 10 115.490 115.490 119.239 -3.749 19221 19209 1 20 . 1 1 10 10 TYR HA H 10 4.106 4.106 4.068 0.038 19221 19210 1 20 . 1 1 10 10 TYR C C 10 180.280 180.280 177.430 2.850 19221 19211 1 20 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.845 0.675 19221 19212 1 20 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.597 -0.667 19221 19213 1 20 . 1 1 10 10 TYR H H 10 7.958 7.958 8.391 -0.433 19221 19214 1 20 . 1 1 11 11 THR N N 11 115.140 115.140 116.766 -1.626 19221 19215 1 20 . 1 1 11 11 THR HA H 11 3.934 3.934 3.690 0.244 19221 19216 1 20 . 1 1 11 11 THR CA C 11 66.560 66.560 67.151 -0.591 19221 19217 1 20 . 1 1 11 11 THR CB C 11 68.750 68.750 67.931 0.819 19221 19218 1 20 . 1 1 11 11 THR H H 11 8.806 8.806 8.588 0.218 19221 19219 1 20 . 1 1 12 12 SER N N 12 120.384 120.384 118.104 2.280 19221 19220 1 20 . 1 1 12 12 SER HA H 12 3.346 3.346 4.141 -0.795 19221 19221 1 20 . 1 1 12 12 SER C C 12 175.891 175.891 176.418 -0.527 19221 19222 1 20 . 1 1 12 12 SER CA C 12 62.740 62.740 62.256 0.484 19221 19223 1 20 . 1 1 12 12 SER CB C 12 62.580 62.580 62.921 -0.341 19221 19224 1 20 . 1 1 12 12 SER H H 12 8.151 8.151 8.065 0.086 19221 19225 1 20 . 1 1 13 13 LEU N N 13 121.640 121.640 121.540 0.100 19221 19226 1 20 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.872 -0.071 19221 19227 1 20 . 1 1 13 13 LEU C C 13 180.374 180.374 178.297 2.077 19221 19228 1 20 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.470 0.880 19221 19229 1 20 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.464 -0.054 19221 19230 1 20 . 1 1 13 13 LEU H H 13 7.893 7.893 7.948 -0.055 19221 19231 1 20 . 1 1 14 14 LEU N N 14 120.470 120.470 120.264 0.206 19221 19232 1 20 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.755 0.406 19221 19233 1 20 . 1 1 14 14 LEU C C 14 179.880 179.880 178.065 1.815 19221 19234 1 20 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.934 0.066 19221 19235 1 20 . 1 1 14 14 LEU CB C 14 41.550 41.550 40.999 0.551 19221 19236 1 20 . 1 1 14 14 LEU H H 14 7.528 7.528 8.233 -0.705 19221 19237 1 20 . 1 1 15 15 TYR N N 15 122.257 122.257 117.198 5.059 19221 19238 1 20 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.205 0.060 19221 19239 1 20 . 1 1 15 15 TYR C C 15 177.033 177.033 176.692 0.341 19221 19240 1 20 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.085 0.645 19221 19241 1 20 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.157 -0.057 19221 19242 1 20 . 1 1 15 15 TYR H H 15 8.135 8.135 8.063 0.072 19221 19243 1 20 . 1 1 16 16 LEU N N 16 118.440 118.440 117.886 0.554 19221 19244 1 20 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.740 0.065 19221 19245 1 20 . 1 1 16 16 LEU C C 16 179.055 179.055 178.812 0.243 19221 19246 1 20 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.121 0.092 19221 19247 1 20 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.979 0.086 19221 19248 1 20 . 1 1 16 16 LEU H H 16 8.452 8.452 7.486 0.967 19221 19249 1 20 . 1 1 17 17 SER N N 17 114.450 114.450 114.056 0.394 19221 19250 1 20 . 1 1 17 17 SER HA H 17 4.430 4.430 4.198 0.232 19221 19251 1 20 . 1 1 17 17 SER C C 17 175.197 175.197 175.903 -0.706 19221 19252 1 20 . 1 1 17 17 SER CA C 17 61.040 61.040 60.723 0.317 19221 19253 1 20 . 1 1 17 17 SER CB C 17 63.460 63.460 63.398 0.062 19221 19254 1 20 . 1 1 17 17 SER H H 17 7.848 7.848 8.302 -0.454 19221 19255 1 20 . 1 1 18 18 THR N N 18 110.850 110.850 112.299 -1.449 19221 19256 1 20 . 1 1 18 18 THR HA H 18 4.452 4.452 4.243 0.209 19221 19257 1 20 . 1 1 18 18 THR C C 18 174.439 174.439 174.394 0.045 19221 19258 1 20 . 1 1 18 18 THR CA C 18 61.421 61.421 63.629 -2.208 19221 19259 1 20 . 1 1 18 18 THR CB C 18 69.940 69.940 69.245 0.695 19221 19260 1 20 . 1 1 18 18 THR H H 18 7.505 7.505 7.732 -0.227 19221 19261 1 20 . 1 1 19 19 LEU N N 19 123.180 123.180 121.226 1.954 19221 19262 1 20 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.642 -0.482 19221 19263 1 20 . 1 1 19 19 LEU C C 19 176.926 176.926 174.541 2.385 19221 19264 1 20 . 1 1 19 19 LEU CA C 19 55.290 55.290 53.051 2.239 19221 19265 1 20 . 1 1 19 19 LEU CB C 19 42.448 42.448 45.709 -3.260 19221 19266 1 20 . 1 1 19 19 LEU H H 19 7.095 7.095 7.591 -0.496 19221 19267 1 20 . 1 1 20 20 GLU N N 20 125.330 125.330 122.259 3.071 19221 19268 1 20 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.399 0.209 19221 19269 1 20 . 1 1 20 20 GLU C C 20 175.915 175.915 176.025 -0.110 19221 19270 1 20 . 1 1 20 20 GLU CA C 20 54.773 54.773 55.410 -0.637 19221 19271 1 20 . 1 1 20 20 GLU CB C 20 29.590 29.590 29.342 0.248 19221 19272 1 20 . 1 1 20 20 GLU H H 20 8.535 8.535 8.713 -0.178 19221 19273 1 20 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.172 0.161 19221 19274 1 20 . 1 1 21 21 PRO C C 21 177.196 177.196 178.488 -1.292 19221 19275 1 20 . 1 1 21 21 PRO CA C 21 64.780 64.780 65.668 -0.888 19221 19276 1 20 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.819 0.031 19221 19277 1 20 . 1 1 22 22 SER N N 22 111.220 111.220 111.250 -0.030 19221 19278 1 20 . 1 1 22 22 SER HA H 22 4.398 4.398 4.238 0.160 19221 19279 1 20 . 1 1 22 22 SER C C 22 175.056 175.056 175.499 -0.443 19221 19280 1 20 . 1 1 22 22 SER CA C 22 58.530 58.530 60.603 -2.073 19221 19281 1 20 . 1 1 22 22 SER CB C 22 63.500 63.500 63.219 0.281 19221 19282 1 20 . 1 1 22 22 SER H H 22 7.967 7.967 8.318 -0.351 19221 19283 1 20 . 1 1 23 23 THR N N 23 117.440 117.440 107.645 9.795 19221 19284 1 20 . 1 1 23 23 THR HA H 23 4.279 4.279 4.501 -0.222 19221 19285 1 20 . 1 1 23 23 THR C C 23 174.573 174.573 174.142 0.431 19221 19286 1 20 . 1 1 23 23 THR CA C 23 62.920 62.920 61.297 1.623 19221 19287 1 20 . 1 1 23 23 THR CB C 23 69.260 69.260 71.079 -1.819 19221 19288 1 20 . 1 1 23 23 THR H H 23 7.936 7.936 7.781 0.155 19221 19289 1 20 . 1 1 24 24 SER N N 24 119.820 119.820 119.336 0.484 19221 19290 1 20 . 1 1 24 24 SER HA H 24 4.485 4.485 4.295 0.190 19221 19291 1 20 . 1 1 24 24 SER C C 24 174.082 174.082 173.976 0.106 19221 19292 1 20 . 1 1 24 24 SER CA C 24 58.600 58.600 59.214 -0.614 19221 19293 1 20 . 1 1 24 24 SER CB C 24 63.430 63.430 62.129 1.301 19221 19294 1 20 . 1 1 24 24 SER H H 24 8.438 8.438 7.918 0.520 19221 19295 1 20 . 1 1 25 25 ILE N N 25 123.140 123.140 121.014 2.126 19221 19296 1 20 . 1 1 25 25 ILE HA H 25 4.479 4.479 3.720 0.759 19221 19297 1 20 . 1 1 25 25 ILE C C 25 176.472 176.472 175.201 1.271 19221 19298 1 20 . 1 1 25 25 ILE CA C 25 61.010 61.010 62.055 -1.045 19221 19299 1 20 . 1 1 25 25 ILE CB C 25 39.460 39.460 37.661 1.799 19221 19300 1 20 . 1 1 25 25 ILE H H 25 7.870 7.870 8.038 -0.168 19221 19301 1 20 . 1 1 26 26 THR N N 26 118.120 118.120 112.262 5.858 19221 19302 1 20 . 1 1 26 26 THR HA H 26 4.394 4.394 4.536 -0.142 19221 19303 1 20 . 1 1 26 26 THR C C 26 175.540 175.540 175.637 -0.097 19221 19304 1 20 . 1 1 26 26 THR CA C 26 61.890 61.890 60.186 1.704 19221 19305 1 20 . 1 1 26 26 THR CB C 26 71.320 71.320 69.872 1.448 19221 19306 1 20 . 1 1 26 26 THR H H 26 8.649 8.649 8.022 0.627 19221 19307 1 20 . 1 1 27 27 LEU N N 27 123.130 123.130 122.367 0.763 19221 19308 1 20 . 1 1 27 27 LEU HA H 27 4.089 4.089 3.979 0.110 19221 19309 1 20 . 1 1 27 27 LEU C C 27 178.653 178.653 178.229 0.424 19221 19310 1 20 . 1 1 27 27 LEU CA C 27 58.760 58.760 58.267 0.493 19221 19311 1 20 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.494 -0.314 19221 19312 1 20 . 1 1 27 27 LEU H H 27 8.766 8.766 8.580 0.186 19221 19313 1 20 . 1 1 28 28 ALA N N 28 119.510 119.510 119.670 -0.160 19221 19314 1 20 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.066 0.197 19221 19315 1 20 . 1 1 28 28 ALA C C 28 178.218 178.218 179.654 -1.436 19221 19316 1 20 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.962 0.357 19221 19317 1 20 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.159 -0.039 19221 19318 1 20 . 1 1 28 28 ALA H H 28 8.546 8.546 8.259 0.287 19221 19319 1 20 . 1 1 29 29 GLU N N 29 118.210 118.210 117.870 0.340 19221 19320 1 20 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.129 -0.048 19221 19321 1 20 . 1 1 29 29 GLU C C 29 179.929 179.929 179.359 0.570 19221 19322 1 20 . 1 1 29 29 GLU CA C 29 59.300 59.300 58.699 0.601 19221 19323 1 20 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.467 0.609 19221 19324 1 20 . 1 1 29 29 GLU H H 29 7.719 7.719 7.700 0.019 19221 19325 1 20 . 1 1 30 30 ARG N N 30 121.350 121.350 120.270 1.080 19221 19326 1 20 . 1 1 30 30 ARG HA H 30 3.959 3.959 3.982 -0.023 19221 19327 1 20 . 1 1 30 30 ARG C C 30 177.538 177.538 178.862 -1.324 19221 19328 1 20 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.654 0.991 19221 19329 1 20 . 1 1 30 30 ARG CB C 30 31.000 31.000 29.968 1.032 19221 19330 1 20 . 1 1 30 30 ARG H H 30 8.410 8.410 8.600 -0.190 19221 19331 1 20 . 1 1 31 31 GLN N N 31 117.670 117.670 118.853 -1.183 19221 19332 1 20 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.052 -0.100 19221 19333 1 20 . 1 1 31 31 GLN C C 31 178.220 178.220 178.973 -0.753 19221 19334 1 20 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.404 -0.449 19221 19335 1 20 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.599 0.031 19221 19336 1 20 . 1 1 31 31 GLN H H 31 8.742 8.742 7.909 0.833 19221 19337 1 20 . 1 1 32 32 GLN N N 32 117.910 117.910 118.700 -0.790 19221 19338 1 20 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.259 -0.272 19221 19339 1 20 . 1 1 32 32 GLN C C 32 177.712 177.712 178.790 -1.078 19221 19340 1 20 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.670 -0.340 19221 19341 1 20 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.483 -0.163 19221 19342 1 20 . 1 1 32 32 GLN H H 32 7.732 7.732 7.831 -0.099 19221 19343 1 20 . 1 1 33 33 LEU N N 33 119.680 119.680 121.615 -1.935 19221 19344 1 20 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.095 0.309 19221 19345 1 20 . 1 1 33 33 LEU C C 33 178.876 178.876 177.874 1.002 19221 19346 1 20 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.470 0.580 19221 19347 1 20 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.493 0.307 19221 19348 1 20 . 1 1 33 33 LEU H H 33 7.846 7.846 8.509 -0.663 19221 19349 1 20 . 1 1 34 34 ALA N N 34 121.660 121.660 122.264 -0.604 19221 19350 1 20 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.940 -0.199 19221 19351 1 20 . 1 1 34 34 ALA C C 34 180.025 180.025 179.131 0.894 19221 19352 1 20 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.345 0.325 19221 19353 1 20 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.006 0.934 19221 19354 1 20 . 1 1 34 34 ALA H H 34 8.308 8.308 8.645 -0.337 19221 19355 1 20 . 1 1 35 35 TYR N N 35 120.860 120.860 119.517 1.343 19221 19356 1 20 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.739 0.019 19221 19357 1 20 . 1 1 35 35 TYR C C 35 176.384 176.384 177.527 -1.143 19221 19358 1 20 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.517 0.503 19221 19359 1 20 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.899 0.561 19221 19360 1 20 . 1 1 35 35 TYR H H 35 8.457 8.457 7.966 0.491 19221 19361 1 20 . 1 1 36 36 ASP N N 36 120.570 120.570 119.339 1.231 19221 19362 1 20 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.077 0.158 19221 19363 1 20 . 1 1 36 36 ASP C C 36 180.544 180.544 178.661 1.883 19221 19364 1 20 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.328 0.612 19221 19365 1 20 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.845 -0.375 19221 19366 1 20 . 1 1 36 36 ASP H H 36 9.072 9.072 8.435 0.637 19221 19367 1 20 . 1 1 37 37 LEU N N 37 123.000 123.000 121.177 1.823 19221 19368 1 20 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.142 0.004 19221 19369 1 20 . 1 1 37 37 LEU C C 37 178.743 178.743 178.309 0.434 19221 19370 1 20 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.445 0.169 19221 19371 1 20 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.954 0.856 19221 19372 1 20 . 1 1 37 37 LEU H H 37 9.068 9.068 8.298 0.770 19221 19373 1 20 . 1 1 38 38 SER N N 38 116.650 116.650 115.741 0.909 19221 19374 1 20 . 1 1 38 38 SER HA H 38 3.680 3.680 4.156 -0.476 19221 19375 1 20 . 1 1 38 38 SER C C 38 174.113 174.113 176.728 -2.615 19221 19376 1 20 . 1 1 38 38 SER CA C 38 59.430 59.430 62.406 -2.975 19221 19377 1 20 . 1 1 38 38 SER CB C 38 63.559 63.559 62.738 0.821 19221 19378 1 20 . 1 1 38 38 SER H H 38 7.824 7.824 7.967 -0.143 19221 19379 1 20 . 1 1 39 39 ILE N N 39 121.198 121.198 122.172 -0.974 19221 19380 1 20 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.460 -0.055 19221 19381 1 20 . 1 1 39 39 ILE C C 39 176.113 176.113 177.650 -1.537 19221 19382 1 20 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.261 -0.901 19221 19383 1 20 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.474 -1.126 19221 19384 1 20 . 1 1 39 39 ILE H H 39 8.313 8.313 8.127 0.185 19221 19385 1 20 . 1 1 40 40 SER N N 40 115.537 115.537 115.949 -0.412 19221 19386 1 20 . 1 1 40 40 SER HA H 40 4.534 4.534 4.112 0.422 19221 19387 1 20 . 1 1 40 40 SER C C 40 174.881 174.881 176.583 -1.702 19221 19388 1 20 . 1 1 40 40 SER CA C 40 62.520 62.520 62.110 0.410 19221 19389 1 20 . 1 1 40 40 SER CB C 40 62.670 62.670 62.880 -0.210 19221 19390 1 20 . 1 1 40 40 SER H H 40 7.961 7.961 8.337 -0.376 19221 19391 1 20 . 1 1 41 41 ALA N N 41 123.360 123.360 124.446 -1.086 19221 19392 1 20 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.803 -0.211 19221 19393 1 20 . 1 1 41 41 ALA C C 41 178.822 178.822 179.851 -1.029 19221 19394 1 20 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.841 -0.719 19221 19395 1 20 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.457 -0.067 19221 19396 1 20 . 1 1 41 41 ALA H H 41 7.878 7.878 8.023 -0.145 19221 19397 1 20 . 1 1 42 42 LEU N N 42 115.790 115.790 118.075 -2.285 19221 19398 1 20 . 1 1 42 42 LEU HA H 42 3.576 3.576 3.954 -0.378 19221 19399 1 20 . 1 1 42 42 LEU C C 42 179.683 179.683 177.971 1.712 19221 19400 1 20 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.479 1.252 19221 19401 1 20 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.179 0.031 19221 19402 1 20 . 1 1 42 42 LEU H H 42 7.737 7.737 8.039 -0.302 19221 19403 1 20 . 1 1 43 43 LEU N N 43 113.670 113.670 112.205 1.465 19221 19404 1 20 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.394 -0.387 19221 19405 1 20 . 1 1 43 43 LEU C C 43 177.279 177.279 177.088 0.191 19221 19406 1 20 . 1 1 43 43 LEU CA C 43 54.930 54.930 53.454 1.476 19221 19407 1 20 . 1 1 43 43 LEU CB C 43 40.820 40.820 41.759 -0.939 19221 19408 1 20 . 1 1 43 43 LEU H H 43 7.798 7.798 7.566 0.232 19221 19409 1 20 . 1 1 44 44 GLY N N 44 108.270 108.270 107.950 0.320 19221 19410 1 20 . 1 1 44 44 GLY C C 44 177.020 177.020 175.126 1.894 19221 19411 1 20 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.624 2.266 19221 19412 1 20 . 1 1 44 44 GLY H H 44 7.984 7.984 7.343 0.641 19221 19413 1 20 . 1 1 45 45 ASP N N 45 128.400 128.400 123.867 4.533 19221 19414 1 20 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.474 0.085 19221 19415 1 20 . 1 1 45 45 ASP C C 45 177.183 177.183 176.737 0.446 19221 19416 1 20 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.749 -1.299 19221 19417 1 20 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.358 -1.569 19221 19418 1 20 . 1 1 45 45 ASP H H 45 9.073 9.073 8.481 0.592 19221 19419 1 20 . 1 1 46 46 LYS N N 46 117.230 117.230 112.976 4.254 19221 19420 1 20 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.476 0.469 19221 19421 1 20 . 1 1 46 46 LYS C C 46 176.544 176.544 175.443 1.101 19221 19422 1 20 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.238 0.372 19221 19423 1 20 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.197 1.763 19221 19424 1 20 . 1 1 46 46 LYS H H 46 8.987 8.987 8.035 0.952 19221 19425 1 20 . 1 1 47 47 ILE N N 47 121.540 121.540 124.156 -2.616 19221 19426 1 20 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.913 0.184 19221 19427 1 20 . 1 1 47 47 ILE C C 47 174.082 174.082 175.830 -1.748 19221 19428 1 20 . 1 1 47 47 ILE CA C 47 61.080 61.080 60.790 0.290 19221 19429 1 20 . 1 1 47 47 ILE CB C 47 37.008 37.008 35.011 1.997 19221 19430 1 20 . 1 1 47 47 ILE H H 47 6.840 6.840 7.686 -0.846 19221 19431 1 20 . 1 1 48 48 TYR N N 48 123.820 123.820 130.176 -6.356 19221 19432 1 20 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.031 0.278 19221 19433 1 20 . 1 1 48 48 TYR C C 48 173.249 173.249 173.899 -0.650 19221 19434 1 20 . 1 1 48 48 TYR CA C 48 57.350 57.350 60.406 -3.056 19221 19435 1 20 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.329 -0.099 19221 19436 1 20 . 1 1 48 48 TYR H H 48 8.511 8.511 7.942 0.569 19221 19437 1 20 . 1 1 49 49 ASN N N 49 116.100 116.100 113.393 2.707 19221 19438 1 20 . 1 1 49 49 ASN HA H 49 4.451 4.451 3.881 0.570 19221 19439 1 20 . 1 1 49 49 ASN C C 49 175.429 175.429 173.541 1.888 19221 19440 1 20 . 1 1 49 49 ASN CA C 49 53.077 53.077 51.547 1.530 19221 19441 1 20 . 1 1 49 49 ASN CB C 49 39.916 39.916 40.484 -0.568 19221 19442 1 20 . 1 1 49 49 ASN H H 49 6.906 6.906 7.676 -0.770 19221 19443 1 20 . 1 1 50 50 PHE N N 50 124.360 124.360 118.172 6.188 19221 19444 1 20 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.630 0.381 19221 19445 1 20 . 1 1 50 50 PHE C C 50 176.190 176.190 176.463 -0.273 19221 19446 1 20 . 1 1 50 50 PHE CA C 50 55.863 55.863 56.586 -0.723 19221 19447 1 20 . 1 1 50 50 PHE CB C 50 38.482 38.482 39.621 -1.139 19221 19448 1 20 . 1 1 50 50 PHE H H 50 8.980 8.980 8.148 0.832 19221 19449 1 20 . 1 1 51 51 GLY N N 51 109.740 109.740 109.738 0.002 19221 19450 1 20 . 1 1 51 51 GLY C C 51 175.758 175.758 175.112 0.646 19221 19451 1 20 . 1 1 51 51 GLY CA C 51 48.300 48.300 47.367 0.933 19221 19452 1 20 . 1 1 51 51 GLY H H 51 8.658 8.658 7.970 0.688 19221 19453 1 20 . 1 1 52 52 GLU N N 52 120.700 120.700 120.696 0.004 19221 19454 1 20 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.037 0.045 19221 19455 1 20 . 1 1 52 52 GLU C C 52 178.240 178.240 179.163 -0.923 19221 19456 1 20 . 1 1 52 52 GLU CA C 52 59.210 59.210 59.360 -0.150 19221 19457 1 20 . 1 1 52 52 GLU CB C 52 29.739 29.739 28.850 0.889 19221 19458 1 20 . 1 1 52 52 GLU H H 52 8.321 8.321 8.261 0.060 19221 19459 1 20 . 1 1 53 53 LEU N N 53 119.400 119.400 122.125 -2.725 19221 19460 1 20 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.171 -0.013 19221 19461 1 20 . 1 1 53 53 LEU C C 53 178.344 178.344 178.770 -0.426 19221 19462 1 20 . 1 1 53 53 LEU CA C 53 57.790 57.790 57.903 -0.113 19221 19463 1 20 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.037 0.803 19221 19464 1 20 . 1 1 53 53 LEU H H 53 7.694 7.694 8.078 -0.384 19221 19465 1 20 . 1 1 54 54 LEU N N 54 114.230 114.230 117.163 -2.933 19221 19466 1 20 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.212 -0.289 19221 19467 1 20 . 1 1 54 54 LEU C C 54 178.643 178.643 177.693 0.950 19221 19468 1 20 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.647 1.083 19221 19469 1 20 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.580 0.270 19221 19470 1 20 . 1 1 54 54 LEU H H 54 8.369 8.369 8.529 -0.160 19221 19471 1 20 . 1 1 55 55 HIS N N 55 113.420 113.420 113.859 -0.439 19221 19472 1 20 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.816 -0.109 19221 19473 1 20 . 1 1 55 55 HIS C C 55 173.981 173.981 174.487 -0.506 19221 19474 1 20 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.222 0.298 19221 19475 1 20 . 1 1 55 55 HIS CB C 55 29.280 29.280 30.543 -1.262 19221 19476 1 20 . 1 1 55 55 HIS H H 55 7.569 7.569 7.516 0.053 19221 19477 1 20 . 1 1 56 56 HIS N N 56 126.050 126.050 122.947 3.103 19221 19478 1 20 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.732 -0.251 19221 19479 1 20 . 1 1 56 56 HIS C C 56 176.705 176.705 174.724 1.981 19221 19480 1 20 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.695 2.655 19221 19481 1 20 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.633 0.087 19221 19482 1 20 . 1 1 56 56 HIS H H 56 8.068 8.068 8.061 0.007 19221 19483 1 20 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.279 0.098 19221 19484 1 20 . 1 1 57 57 PRO C C 57 179.790 179.790 178.541 1.249 19221 19485 1 20 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.681 0.759 19221 19486 1 20 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.834 0.596 19221 19487 1 20 . 1 1 58 58 ILE N N 58 124.900 124.900 121.160 3.740 19221 19488 1 20 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.698 0.572 19221 19489 1 20 . 1 1 58 58 ILE C C 58 177.782 177.782 176.719 1.063 19221 19490 1 20 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.753 -1.223 19221 19491 1 20 . 1 1 58 58 ILE CB C 58 38.270 38.270 37.460 0.810 19221 19492 1 20 . 1 1 58 58 ILE H H 58 11.871 11.871 7.410 4.461 19221 19493 1 20 . 1 1 59 59 MET N N 59 120.230 120.230 116.494 3.736 19221 19494 1 20 . 1 1 59 59 MET HA H 59 4.431 4.431 4.191 0.240 19221 19495 1 20 . 1 1 59 59 MET C C 59 178.757 178.757 178.421 0.336 19221 19496 1 20 . 1 1 59 59 MET CA C 59 55.720 55.720 56.262 -0.542 19221 19497 1 20 . 1 1 59 59 MET CB C 59 30.980 30.980 30.762 0.217 19221 19498 1 20 . 1 1 59 59 MET H H 59 8.152 8.152 8.069 0.083 19221 19499 1 20 . 1 1 60 60 GLU N N 60 119.080 119.080 119.267 -0.187 19221 19500 1 20 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.960 0.048 19221 19501 1 20 . 1 1 60 60 GLU C C 60 178.242 178.242 178.648 -0.406 19221 19502 1 20 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.029 -0.509 19221 19503 1 20 . 1 1 60 60 GLU CB C 60 29.547 29.547 29.264 0.283 19221 19504 1 20 . 1 1 60 60 GLU H H 60 7.889 7.889 7.852 0.037 19221 19505 1 20 . 1 1 61 61 THR N N 61 106.740 106.740 108.883 -2.143 19221 19506 1 20 . 1 1 61 61 THR HA H 61 4.120 4.120 4.158 -0.038 19221 19507 1 20 . 1 1 61 61 THR C C 61 176.056 176.056 176.105 -0.049 19221 19508 1 20 . 1 1 61 61 THR CA C 61 64.520 64.520 64.462 0.058 19221 19509 1 20 . 1 1 61 61 THR CB C 61 69.420 69.420 69.267 0.153 19221 19510 1 20 . 1 1 61 61 THR H H 61 7.558 7.558 7.653 -0.095 19221 19511 1 20 . 1 1 62 62 ILE N N 62 113.140 113.140 113.786 -0.646 19221 19512 1 20 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.603 -0.016 19221 19513 1 20 . 1 1 62 62 ILE C C 62 176.843 176.843 177.416 -0.573 19221 19514 1 20 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.687 0.103 19221 19515 1 20 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.661 -0.291 19221 19516 1 20 . 1 1 62 62 ILE H H 62 7.235 7.235 7.714 -0.479 19221 19517 1 20 . 1 1 63 63 VAL N N 63 122.110 122.110 118.599 3.511 19221 19518 1 20 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.410 -0.064 19221 19519 1 20 . 1 1 63 63 VAL C C 63 175.165 175.165 176.375 -1.210 19221 19520 1 20 . 1 1 63 63 VAL CA C 63 64.440 64.440 65.166 -0.726 19221 19521 1 20 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.154 0.045 19221 19522 1 20 . 1 1 63 63 VAL H H 63 7.436 7.436 8.041 -0.605 19221 19523 1 20 . 1 1 64 64 ASN N N 64 116.810 116.810 115.149 1.661 19221 19524 1 20 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.579 0.202 19221 19525 1 20 . 1 1 64 64 ASN C C 64 174.101 174.101 174.914 -0.813 19221 19526 1 20 . 1 1 64 64 ASN CA C 64 52.900 52.900 53.281 -0.381 19221 19527 1 20 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.741 0.038 19221 19528 1 20 . 1 1 64 64 ASN H H 64 8.352 8.352 7.750 0.602 19221 19529 1 20 . 1 1 65 65 ASP N N 65 120.930 120.930 119.595 1.335 19221 19530 1 20 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.885 -0.005 19221 19531 1 20 . 1 1 65 65 ASP C C 65 177.534 177.534 176.555 0.979 19221 19532 1 20 . 1 1 65 65 ASP CA C 65 53.170 53.170 52.581 0.589 19221 19533 1 20 . 1 1 65 65 ASP CB C 65 43.100 43.100 42.755 0.345 19221 19534 1 20 . 1 1 65 65 ASP H H 65 7.453 7.453 7.782 -0.329 19221 19535 1 20 . 1 1 66 66 SER HA H 66 4.356 4.356 4.081 0.275 19221 19536 1 20 . 1 1 66 66 SER C C 66 176.310 176.310 175.568 0.742 19221 19537 1 20 . 1 1 66 66 SER CA C 66 61.350 61.350 60.906 0.444 19221 19538 1 20 . 1 1 66 66 SER CB C 66 63.120 63.120 63.232 -0.112 19221 19539 1 20 . 1 1 66 66 SER H H 66 7.010 7.010 8.903 -1.893 19221 19540 1 20 . 1 1 67 67 ASN N N 67 120.050 120.050 118.792 1.258 19221 19541 1 20 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.422 0.183 19221 19542 1 20 . 1 1 67 67 ASN C C 67 176.107 176.107 176.006 0.101 19221 19543 1 20 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.634 -0.064 19221 19544 1 20 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.711 -0.111 19221 19545 1 20 . 1 1 67 67 ASN H H 67 9.014 9.014 8.451 0.563 19221 19546 1 20 . 1 1 68 68 TYR N N 68 114.840 114.840 113.995 0.845 19221 19547 1 20 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.317 0.202 19221 19548 1 20 . 1 1 68 68 TYR C C 68 175.709 175.709 176.092 -0.383 19221 19549 1 20 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.430 1.180 19221 19550 1 20 . 1 1 68 68 TYR CB C 68 39.750 39.750 39.084 0.666 19221 19551 1 20 . 1 1 68 68 TYR H H 68 8.276 8.276 8.123 0.153 19221 19552 1 20 . 1 1 69 69 ASP N N 69 122.810 122.810 122.955 -0.145 19221 19553 1 20 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.408 0.044 19221 19554 1 20 . 1 1 69 69 ASP C C 69 178.371 178.371 177.730 0.641 19221 19555 1 20 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.443 0.187 19221 19556 1 20 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.884 -0.254 19221 19557 1 20 . 1 1 69 69 ASP H H 69 7.806 7.806 7.971 -0.165 19221 19558 1 20 . 1 1 70 70 TRP N N 70 117.270 117.270 119.013 -1.743 19221 19559 1 20 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.459 -0.295 19221 19560 1 20 . 1 1 70 70 TRP C C 70 176.090 176.090 177.649 -1.559 19221 19561 1 20 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.672 -1.142 19221 19562 1 20 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.355 -0.805 19221 19563 1 20 . 1 1 70 70 TRP H H 70 8.172 8.172 7.936 0.236 19221 19564 1 20 . 1 1 71 71 LEU N N 71 125.263 125.263 122.464 2.799 19221 19565 1 20 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.663 -0.423 19221 19566 1 20 . 1 1 71 71 LEU C C 71 178.306 178.306 178.333 -0.027 19221 19567 1 20 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.408 0.202 19221 19568 1 20 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.121 1.069 19221 19569 1 20 . 1 1 71 71 LEU H H 71 6.251 6.251 6.261 -0.010 19221 19570 1 20 . 1 1 72 72 PHE N N 72 117.630 117.630 119.881 -2.251 19221 19571 1 20 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.976 -0.163 19221 19572 1 20 . 1 1 72 72 PHE C C 72 178.797 178.797 177.218 1.579 19221 19573 1 20 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.677 0.894 19221 19574 1 20 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.839 -0.029 19221 19575 1 20 . 1 1 72 72 PHE H H 72 6.996 6.996 8.496 -1.500 19221 19576 1 20 . 1 1 73 73 GLN N N 73 117.950 117.950 118.005 -0.055 19221 19577 1 20 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.757 0.309 19221 19578 1 20 . 1 1 73 73 GLN C C 73 179.341 179.341 178.251 1.090 19221 19579 1 20 . 1 1 73 73 GLN CA C 73 59.090 59.090 59.093 -0.003 19221 19580 1 20 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.740 -0.490 19221 19581 1 20 . 1 1 73 73 GLN H H 73 8.415 8.415 8.452 -0.037 19221 19582 1 20 . 1 1 74 74 LEU N N 74 122.275 122.275 122.492 -0.217 19221 19583 1 20 . 1 1 74 74 LEU HA H 74 4.070 4.070 3.963 0.107 19221 19584 1 20 . 1 1 74 74 LEU C C 74 177.889 177.889 178.181 -0.292 19221 19585 1 20 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.818 0.752 19221 19586 1 20 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.689 0.491 19221 19587 1 20 . 1 1 74 74 LEU H H 74 8.365 8.365 8.164 0.201 19221 19588 1 20 . 1 1 75 75 LEU N N 75 118.123 118.123 119.170 -1.047 19221 19589 1 20 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.410 0.317 19221 19590 1 20 . 1 1 75 75 LEU C C 75 180.172 180.172 178.847 1.325 19221 19591 1 20 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.377 0.076 19221 19592 1 20 . 1 1 75 75 LEU CB C 75 42.340 42.340 40.919 1.421 19221 19593 1 20 . 1 1 75 75 LEU H H 75 8.210 8.210 8.424 -0.214 19221 19594 1 20 . 1 1 76 76 ASN N N 76 117.960 117.960 117.614 0.346 19221 19595 1 20 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.154 0.221 19221 19596 1 20 . 1 1 76 76 ASN C C 76 176.582 176.582 177.092 -0.510 19221 19597 1 20 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.193 0.767 19221 19598 1 20 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.879 1.071 19221 19599 1 20 . 1 1 76 76 ASN H H 76 8.363 8.363 8.114 0.249 19221 19600 1 20 . 1 1 77 77 ALA N N 77 121.740 121.740 122.179 -0.439 19221 19601 1 20 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.051 0.116 19221 19602 1 20 . 1 1 77 77 ALA C C 77 179.988 179.988 180.005 -0.017 19221 19603 1 20 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.916 0.645 19221 19604 1 20 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.305 -0.975 19221 19605 1 20 . 1 1 77 77 ALA H H 77 8.385 8.385 8.249 0.136 19221 19606 1 20 . 1 1 78 78 LEU N N 78 116.550 116.550 118.217 -1.667 19221 19607 1 20 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.771 -0.118 19221 19608 1 20 . 1 1 78 78 LEU C C 78 177.576 177.576 179.193 -1.617 19221 19609 1 20 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.843 1.141 19221 19610 1 20 . 1 1 78 78 LEU CB C 78 42.010 42.010 42.072 -0.062 19221 19611 1 20 . 1 1 78 78 LEU H H 78 7.965 7.965 8.195 -0.230 19221 19612 1 20 . 1 1 79 79 THR N N 79 113.220 113.220 113.355 -0.135 19221 19613 1 20 . 1 1 79 79 THR HA H 79 3.807 3.807 4.093 -0.286 19221 19614 1 20 . 1 1 79 79 THR C C 79 176.163 176.163 175.978 0.185 19221 19615 1 20 . 1 1 79 79 THR CA C 79 66.980 66.980 66.281 0.699 19221 19616 1 20 . 1 1 79 79 THR CB C 79 69.240 69.240 69.427 -0.187 19221 19617 1 20 . 1 1 79 79 THR H H 79 7.565 7.565 7.723 -0.158 19221 19618 1 20 . 1 1 80 80 VAL N N 80 110.800 110.800 113.353 -2.553 19221 19619 1 20 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.467 0.042 19221 19620 1 20 . 1 1 80 80 VAL C C 80 176.751 176.751 176.627 0.124 19221 19621 1 20 . 1 1 80 80 VAL CA C 80 60.890 60.890 62.112 -1.222 19221 19622 1 20 . 1 1 80 80 VAL CB C 80 32.005 32.005 32.342 -0.337 19221 19623 1 20 . 1 1 80 80 VAL H H 80 7.792 7.792 7.747 0.045 19221 19624 1 20 . 1 1 81 81 GLY N N 81 112.910 112.910 109.697 3.213 19221 19625 1 20 . 1 1 81 81 GLY C C 81 173.874 173.874 174.282 -0.408 19221 19626 1 20 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.724 1.556 19221 19627 1 20 . 1 1 81 81 GLY H H 81 7.506 7.506 7.536 -0.030 19221 19628 1 20 . 1 1 82 82 ASP N N 82 119.112 119.112 120.175 -1.063 19221 19629 1 20 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.833 0.007 19221 19630 1 20 . 1 1 82 82 ASP C C 82 175.706 175.706 175.658 0.048 19221 19631 1 20 . 1 1 82 82 ASP CA C 82 51.920 51.920 52.091 -0.171 19221 19632 1 20 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.621 0.329 19221 19633 1 20 . 1 1 82 82 ASP H H 82 8.254 8.254 8.018 0.236 19221 19634 1 20 . 1 1 83 83 PHE N N 83 123.870 123.870 125.172 -1.302 19221 19635 1 20 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.118 -0.290 19221 19636 1 20 . 1 1 83 83 PHE C C 83 177.950 177.950 177.020 0.930 19221 19637 1 20 . 1 1 83 83 PHE CA C 83 62.570 62.570 62.414 0.156 19221 19638 1 20 . 1 1 83 83 PHE CB C 83 39.120 39.120 39.514 -0.394 19221 19639 1 20 . 1 1 83 83 PHE H H 83 8.025 8.025 8.002 0.023 19221 19640 1 20 . 1 1 84 84 ASP N N 84 119.583 119.583 119.768 -0.185 19221 19641 1 20 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.488 0.034 19221 19642 1 20 . 1 1 84 84 ASP C C 84 179.005 179.005 178.733 0.272 19221 19643 1 20 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.817 -0.157 19221 19644 1 20 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.898 -0.338 19221 19645 1 20 . 1 1 84 84 ASP H H 84 8.464 8.464 8.290 0.174 19221 19646 1 20 . 1 1 85 85 LYS N N 85 122.200 122.200 120.061 2.139 19221 19647 1 20 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.078 0.014 19221 19648 1 20 . 1 1 85 85 LYS C C 85 178.580 178.580 178.947 -0.367 19221 19649 1 20 . 1 1 85 85 LYS CA C 85 58.250 58.250 59.013 -0.763 19221 19650 1 20 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.261 0.049 19221 19651 1 20 . 1 1 85 85 LYS H H 85 8.009 8.009 8.450 -0.441 19221 19652 1 20 . 1 1 86 86 PHE N N 86 118.590 118.590 120.849 -2.259 19221 19653 1 20 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.028 -0.192 19221 19654 1 20 . 1 1 86 86 PHE C C 86 175.649 175.649 176.667 -1.018 19221 19655 1 20 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.542 0.868 19221 19656 1 20 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.700 1.380 19221 19657 1 20 . 1 1 86 86 PHE H H 86 8.331 8.331 8.778 -0.447 19221 19658 1 20 . 1 1 87 87 ASP N N 87 117.790 117.790 119.111 -1.321 19221 19659 1 20 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.014 0.184 19221 19660 1 20 . 1 1 87 87 ASP C C 87 178.542 178.542 178.504 0.038 19221 19661 1 20 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.632 0.208 19221 19662 1 20 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.613 1.277 19221 19663 1 20 . 1 1 87 87 ASP H H 87 8.560 8.560 8.665 -0.105 19221 19664 1 20 . 1 1 88 88 SER N N 88 112.940 112.940 115.770 -2.830 19221 19665 1 20 . 1 1 88 88 SER HA H 88 4.153 4.153 4.216 -0.063 19221 19666 1 20 . 1 1 88 88 SER C C 88 176.823 176.823 176.038 0.785 19221 19667 1 20 . 1 1 88 88 SER CA C 88 61.590 61.590 61.938 -0.348 19221 19668 1 20 . 1 1 88 88 SER CB C 88 63.085 63.085 63.328 -0.243 19221 19669 1 20 . 1 1 88 88 SER H H 88 7.757 7.757 7.920 -0.163 19221 19670 1 20 . 1 1 89 89 LEU N N 89 121.710 121.710 119.931 1.779 19221 19671 1 20 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.099 0.069 19221 19672 1 20 . 1 1 89 89 LEU C C 89 180.006 180.006 178.257 1.749 19221 19673 1 20 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.517 0.313 19221 19674 1 20 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.144 1.236 19221 19675 1 20 . 1 1 89 89 LEU H H 89 8.173 8.173 7.420 0.753 19221 19676 1 20 . 1 1 90 90 ILE N N 90 119.830 119.830 120.581 -0.751 19221 19677 1 20 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.450 0.095 19221 19678 1 20 . 1 1 90 90 ILE C C 90 177.083 177.083 178.490 -1.407 19221 19679 1 20 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.413 -1.503 19221 19680 1 20 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.407 -0.327 19221 19681 1 20 . 1 1 90 90 ILE H H 90 8.424 8.424 8.425 -0.001 19221 19682 1 20 . 1 1 91 91 LYS N N 91 117.980 117.980 117.793 0.187 19221 19683 1 20 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.978 -0.077 19221 19684 1 20 . 1 1 91 91 LYS C C 91 178.803 178.803 178.081 0.722 19221 19685 1 20 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.102 0.408 19221 19686 1 20 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.272 0.488 19221 19687 1 20 . 1 1 91 91 LYS H H 91 7.569 7.569 8.145 -0.576 19221 19688 1 20 . 1 1 92 92 VAL N N 92 115.450 115.450 118.252 -2.802 19221 19689 1 20 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.928 0.000 19221 19690 1 20 . 1 1 92 92 VAL C C 92 177.767 177.767 177.503 0.264 19221 19691 1 20 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.698 -0.147 19221 19692 1 20 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.769 0.021 19221 19693 1 20 . 1 1 92 92 VAL H H 92 7.432 7.432 7.665 -0.233 19221 19694 1 20 . 1 1 93 93 GLN N N 93 117.250 117.250 119.113 -1.863 19221 19695 1 20 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.987 0.010 19221 19696 1 20 . 1 1 93 93 GLN C C 93 178.756 178.756 178.842 -0.086 19221 19697 1 20 . 1 1 93 93 GLN CA C 93 57.560 57.560 57.864 -0.304 19221 19698 1 20 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.475 0.195 19221 19699 1 20 . 1 1 93 93 GLN H H 93 8.127 8.127 8.575 -0.448 19221 19700 1 20 . 1 1 94 94 ILE N N 94 118.013 118.013 120.064 -2.051 19221 19701 1 20 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.782 -0.142 19221 19702 1 20 . 1 1 94 94 ILE C C 94 176.252 176.252 178.763 -2.511 19221 19703 1 20 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.421 1.559 19221 19704 1 20 . 1 1 94 94 ILE CB C 94 37.130 37.130 36.843 0.287 19221 19705 1 20 . 1 1 94 94 ILE H H 94 8.390 8.390 7.686 0.704 19221 19706 1 20 . 1 1 95 95 SER N N 95 112.220 112.220 116.255 -4.035 19221 19707 1 20 . 1 1 95 95 SER HA H 95 4.158 4.158 4.151 0.007 19221 19708 1 20 . 1 1 95 95 SER C C 95 174.893 174.893 175.846 -0.953 19221 19709 1 20 . 1 1 95 95 SER CA C 95 59.890 59.890 61.072 -1.182 19221 19710 1 20 . 1 1 95 95 SER CB C 95 63.170 63.170 62.946 0.224 19221 19711 1 20 . 1 1 95 95 SER H H 95 7.227 7.227 8.226 -0.999 19221 19712 1 20 . 1 1 96 96 LYS N N 96 119.000 119.000 118.501 0.499 19221 19713 1 20 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.189 0.136 19221 19714 1 20 . 1 1 96 96 LYS C C 96 175.903 175.903 176.083 -0.180 19221 19715 1 20 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.046 -0.446 19221 19716 1 20 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.159 0.781 19221 19717 1 20 . 1 1 96 96 LYS H H 96 7.250 7.250 7.542 -0.292 19221 19718 1 20 . 1 1 97 97 ILE N N 97 120.530 120.530 120.878 -0.348 19221 19719 1 20 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.569 0.030 19221 19720 1 20 . 1 1 97 97 ILE C C 97 173.784 173.784 174.157 -0.373 19221 19721 1 20 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.899 -0.487 19221 19722 1 20 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.074 -2.514 19221 19723 1 20 . 1 1 97 97 ILE H H 97 7.713 7.713 7.460 0.253 19221 19724 1 20 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.296 -0.003 19221 19725 1 20 . 1 1 98 98 PRO C C 98 178.885 178.885 178.283 0.602 19221 19726 1 20 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.888 0.432 19221 19727 1 20 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.045 0.225 19221 19728 1 20 . 1 1 99 99 ILE N N 99 115.600 115.600 119.362 -3.762 19221 19729 1 20 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.929 0.363 19221 19730 1 20 . 1 1 99 99 ILE C C 99 177.025 177.025 177.720 -0.695 19221 19731 1 20 . 1 1 99 99 ILE CA C 99 63.780 63.780 63.742 0.038 19221 19732 1 20 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.724 0.356 19221 19733 1 20 . 1 1 99 99 ILE H H 99 8.552 8.552 7.951 0.601 19221 19734 1 20 . 1 1 100 100 LEU N N 100 119.430 119.430 120.820 -1.390 19221 19735 1 20 . 1 1 100 100 LEU HA H 100 4.223 4.223 4.122 0.101 19221 19736 1 20 . 1 1 100 100 LEU C C 100 178.223 178.223 179.377 -1.154 19221 19737 1 20 . 1 1 100 100 LEU CA C 100 57.110 57.110 58.050 -0.940 19221 19738 1 20 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.335 0.885 19221 19739 1 20 . 1 1 100 100 LEU H H 100 7.404 7.404 7.661 -0.257 19221 19740 1 20 . 1 1 101 101 ALA N N 101 121.390 121.390 121.368 0.022 19221 19741 1 20 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.984 -0.067 19221 19742 1 20 . 1 1 101 101 ALA C C 101 181.827 181.827 180.128 1.699 19221 19743 1 20 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.917 0.493 19221 19744 1 20 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.176 -0.226 19221 19745 1 20 . 1 1 101 101 ALA H H 101 7.839 7.839 8.292 -0.453 19221 19746 1 20 . 1 1 102 102 GLN N N 102 115.470 115.470 116.821 -1.351 19221 19747 1 20 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.039 0.038 19221 19748 1 20 . 1 1 102 102 GLN C C 102 176.572 176.572 176.866 -0.294 19221 19749 1 20 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.902 -0.322 19221 19750 1 20 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.052 -0.422 19221 19751 1 20 . 1 1 102 102 GLN H H 102 8.276 8.276 7.891 0.385 19221 19752 1 20 . 1 1 103 103 HIS N N 103 115.980 115.980 115.448 0.532 19221 19753 1 20 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.920 0.204 19221 19754 1 20 . 1 1 103 103 HIS C C 103 175.326 175.326 174.669 0.657 19221 19755 1 20 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.743 1.607 19221 19756 1 20 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.662 1.328 19221 19757 1 20 . 1 1 103 103 HIS H H 103 7.450 7.450 7.764 -0.314 19221 19758 1 20 . 1 1 104 104 GLU N N 104 122.920 122.920 122.156 0.764 19221 19759 1 20 . 1 1 104 104 GLU HA H 104 3.813 3.813 4.000 -0.187 19221 19760 1 20 . 1 1 104 104 GLU C C 104 177.960 177.960 177.955 0.005 19221 19761 1 20 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.853 0.657 19221 19762 1 20 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.536 -0.036 19221 19763 1 20 . 1 1 104 104 GLU H H 104 7.332 7.332 7.652 -0.320 19221 19764 1 20 . 1 1 105 105 SER N N 105 113.180 113.180 114.671 -1.491 19221 19765 1 20 . 1 1 105 105 SER HA H 105 4.234 4.234 4.229 0.005 19221 19766 1 20 . 1 1 105 105 SER C C 105 177.512 177.512 176.415 1.097 19221 19767 1 20 . 1 1 105 105 SER CA C 105 62.100 62.100 61.362 0.737 19221 19768 1 20 . 1 1 105 105 SER CB C 105 62.100 62.100 62.844 -0.744 19221 19769 1 20 . 1 1 105 105 SER H H 105 8.931 8.931 8.847 0.084 19221 19770 1 20 . 1 1 106 106 PHE N N 106 123.770 123.770 124.023 -0.253 19221 19771 1 20 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.385 0.042 19221 19772 1 20 . 1 1 106 106 PHE C C 106 178.007 178.007 176.962 1.045 19221 19773 1 20 . 1 1 106 106 PHE CA C 106 61.390 61.390 61.346 0.043 19221 19774 1 20 . 1 1 106 106 PHE CB C 106 39.130 39.130 39.347 -0.217 19221 19775 1 20 . 1 1 106 106 PHE H H 106 8.040 8.040 7.529 0.511 19221 19776 1 20 . 1 1 107 107 LEU N N 107 121.397 121.397 120.725 0.672 19221 19777 1 20 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.870 0.136 19221 19778 1 20 . 1 1 107 107 LEU C C 107 178.165 178.165 179.030 -0.865 19221 19779 1 20 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.096 0.184 19221 19780 1 20 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.429 0.740 19221 19781 1 20 . 1 1 107 107 LEU H H 107 8.481 8.481 8.860 -0.379 19221 19782 1 20 . 1 1 108 108 ARG N N 108 117.450 117.450 119.757 -2.307 19221 19783 1 20 . 1 1 108 108 ARG HA H 108 4.139 4.139 3.891 0.248 19221 19784 1 20 . 1 1 108 108 ARG C C 108 178.343 178.343 178.556 -0.213 19221 19785 1 20 . 1 1 108 108 ARG CA C 108 59.580 59.580 60.228 -0.648 19221 19786 1 20 . 1 1 108 108 ARG CB C 108 29.170 29.170 30.231 -1.061 19221 19787 1 20 . 1 1 108 108 ARG H H 108 8.480 8.480 8.611 -0.131 19221 19788 1 20 . 1 1 109 109 GLN N N 109 119.098 119.098 118.792 0.306 19221 19789 1 20 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.007 0.068 19221 19790 1 20 . 1 1 109 109 GLN CA C 109 59.295 59.295 58.983 0.312 19221 19791 1 20 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.451 1.057 19221 19792 1 20 . 1 1 109 109 GLN H H 109 7.886 7.886 8.120 -0.234 19221 19793 1 20 . 1 1 110 110 LYS N N 110 121.110 121.110 120.253 0.857 19221 19794 1 20 . 1 1 110 110 LYS HA H 110 3.988 3.988 3.881 0.107 19221 19795 1 20 . 1 1 110 110 LYS C C 110 178.368 178.368 178.876 -0.508 19221 19796 1 20 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.715 2.835 19221 19797 1 20 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.901 -1.641 19221 19798 1 20 . 1 1 110 110 LYS H H 110 8.356 8.356 7.929 0.427 19221 19799 1 20 . 1 1 111 111 ILE N N 111 116.870 116.870 120.986 -4.116 19221 19800 1 20 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.706 0.192 19221 19801 1 20 . 1 1 111 111 ILE C C 111 178.036 178.036 177.879 0.157 19221 19802 1 20 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.096 1.005 19221 19803 1 20 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.336 -0.421 19221 19804 1 20 . 1 1 111 111 ILE H H 111 7.848 7.848 8.193 -0.345 19221 19805 1 20 . 1 1 112 112 CYS N N 112 123.990 123.990 119.206 4.784 19221 19806 1 20 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.185 -0.104 19221 19807 1 20 . 1 1 112 112 CYS C C 112 176.276 176.276 176.834 -0.558 19221 19808 1 20 . 1 1 112 112 CYS CA C 112 65.400 65.400 64.306 1.094 19221 19809 1 20 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.070 0.300 19221 19810 1 20 . 1 1 112 112 CYS H H 112 7.473 7.473 7.628 -0.155 19221 19811 1 20 . 1 1 113 113 LEU N N 113 120.218 120.218 121.496 -1.278 19221 19812 1 20 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.771 0.072 19221 19813 1 20 . 1 1 113 113 LEU C C 113 178.584 178.584 179.141 -0.557 19221 19814 1 20 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.518 0.002 19221 19815 1 20 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.652 0.898 19221 19816 1 20 . 1 1 113 113 LEU H H 113 8.443 8.443 8.391 0.052 19221 19817 1 20 . 1 1 114 114 MET N N 114 116.910 116.910 116.318 0.592 19221 19818 1 20 . 1 1 114 114 MET HA H 114 3.952 3.952 4.088 -0.136 19221 19819 1 20 . 1 1 114 114 MET C C 114 178.724 178.724 178.766 -0.042 19221 19820 1 20 . 1 1 114 114 MET CA C 114 60.070 60.070 59.299 0.771 19221 19821 1 20 . 1 1 114 114 MET CB C 114 32.910 32.910 32.388 0.522 19221 19822 1 20 . 1 1 114 114 MET H H 114 8.840 8.840 8.235 0.605 19221 19823 1 20 . 1 1 115 115 THR N N 115 115.670 115.670 116.891 -1.221 19221 19824 1 20 . 1 1 115 115 THR HA H 115 4.083 4.083 4.078 0.005 19221 19825 1 20 . 1 1 115 115 THR C C 115 177.434 177.434 176.657 0.777 19221 19826 1 20 . 1 1 115 115 THR CA C 115 66.740 66.740 67.070 -0.330 19221 19827 1 20 . 1 1 115 115 THR CB C 115 68.630 68.630 68.690 -0.060 19221 19828 1 20 . 1 1 115 115 THR H H 115 8.095 8.095 8.385 -0.290 19221 19829 1 20 . 1 1 116 116 LEU N N 116 125.420 125.420 123.658 1.762 19221 19830 1 20 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.119 -0.264 19221 19831 1 20 . 1 1 116 116 LEU C C 116 176.903 176.903 178.030 -1.127 19221 19832 1 20 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.084 0.852 19221 19833 1 20 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.649 0.027 19221 19834 1 20 . 1 1 116 116 LEU H H 116 8.164 8.164 7.490 0.674 19221 19835 1 20 . 1 1 117 117 ILE N N 117 114.740 114.740 119.126 -4.386 19221 19836 1 20 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.513 0.106 19221 19837 1 20 . 1 1 117 117 ILE C C 117 177.806 177.806 177.881 -0.075 19221 19838 1 20 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.982 -1.392 19221 19839 1 20 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.596 -1.236 19221 19840 1 20 . 1 1 117 117 ILE H H 117 8.032 8.032 7.709 0.323 19221 19841 1 20 . 1 1 118 118 GLU N N 118 121.200 121.200 120.957 0.243 19221 19842 1 20 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.211 -0.011 19221 19843 1 20 . 1 1 118 118 GLU C C 118 178.314 178.314 179.169 -0.855 19221 19844 1 20 . 1 1 118 118 GLU CA C 118 59.980 59.980 59.779 0.201 19221 19845 1 20 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.746 -0.366 19221 19846 1 20 . 1 1 118 118 GLU H H 118 8.176 8.176 8.658 -0.482 19221 19847 1 20 . 1 1 119 119 THR N N 119 114.460 114.460 117.164 -2.704 19221 19848 1 20 . 1 1 119 119 THR HA H 119 3.917 3.917 3.999 -0.082 19221 19849 1 20 . 1 1 119 119 THR C C 119 175.551 175.551 176.991 -1.440 19221 19850 1 20 . 1 1 119 119 THR CA C 119 67.470 67.470 67.007 0.463 19221 19851 1 20 . 1 1 119 119 THR CB C 119 69.110 69.110 68.478 0.632 19221 19852 1 20 . 1 1 119 119 THR H H 119 8.008 8.008 8.034 -0.026 19221 19853 1 20 . 1 1 120 120 VAL N N 120 118.050 118.050 121.629 -3.579 19221 19854 1 20 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.608 0.012 19221 19855 1 20 . 1 1 120 120 VAL C C 120 178.213 178.213 178.034 0.179 19221 19856 1 20 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.554 -0.534 19221 19857 1 20 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.599 0.230 19221 19858 1 20 . 1 1 120 120 VAL H H 120 7.800 7.800 8.425 -0.625 19221 19859 1 20 . 1 1 121 121 PHE N N 121 118.360 118.360 121.585 -3.225 19221 19860 1 20 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.150 0.070 19221 19861 1 20 . 1 1 121 121 PHE C C 121 178.739 178.739 177.805 0.934 19221 19862 1 20 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.296 0.244 19221 19863 1 20 . 1 1 121 121 PHE CB C 121 40.130 40.130 38.917 1.213 19221 19864 1 20 . 1 1 121 121 PHE H H 121 8.370 8.370 8.478 -0.108 19221 19865 1 20 . 1 1 122 122 VAL N N 122 118.710 118.710 120.426 -1.716 19221 19866 1 20 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.486 0.139 19221 19867 1 20 . 1 1 122 122 VAL C C 122 178.247 178.247 177.192 1.055 19221 19868 1 20 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.501 0.349 19221 19869 1 20 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.895 -0.014 19221 19870 1 20 . 1 1 122 122 VAL H H 122 8.959 8.959 8.490 0.469 19221 19871 1 20 . 1 1 123 123 LYS N N 123 115.960 115.960 116.529 -0.569 19221 19872 1 20 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.325 -0.009 19221 19873 1 20 . 1 1 123 123 LYS C C 123 176.148 176.148 175.584 0.564 19221 19874 1 20 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.783 0.747 19221 19875 1 20 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.308 -0.278 19221 19876 1 20 . 1 1 123 123 LYS H H 123 7.688 7.688 8.066 -0.378 19221 19877 1 20 . 1 1 124 124 ASN N N 124 117.440 117.440 117.169 0.271 19221 19878 1 20 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.322 0.022 19221 19879 1 20 . 1 1 124 124 ASN C C 124 174.205 174.205 175.044 -0.839 19221 19880 1 20 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.803 0.117 19221 19881 1 20 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.417 -0.347 19221 19882 1 20 . 1 1 124 124 ASN H H 124 7.560 7.560 7.485 0.075 19221 19883 1 20 . 1 1 125 125 ILE N N 125 116.780 116.780 117.490 -0.710 19221 19884 1 20 . 1 1 125 125 ILE HA H 125 4.110 4.110 3.939 0.171 19221 19885 1 20 . 1 1 125 125 ILE C C 125 175.909 175.909 175.553 0.356 19221 19886 1 20 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.805 -0.235 19221 19887 1 20 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.032 1.938 19221 19888 1 20 . 1 1 125 125 ILE H H 125 7.658 7.658 7.871 -0.213 19221 19889 1 20 . 1 1 126 126 ARG N N 126 122.400 122.400 121.256 1.144 19221 19890 1 20 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.617 0.014 19221 19891 1 20 . 1 1 126 126 ARG C C 126 175.296 175.296 175.728 -0.432 19221 19892 1 20 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.495 -0.285 19221 19893 1 20 . 1 1 126 126 ARG CB C 126 31.217 31.217 32.089 -0.872 19221 19894 1 20 . 1 1 126 126 ARG H H 126 8.658 8.658 8.502 0.156 19221 19895 1 20 . 1 1 127 127 MET N N 127 119.870 119.870 119.557 0.313 19221 19896 1 20 . 1 1 127 127 MET HA H 127 5.412 5.412 5.214 0.198 19221 19897 1 20 . 1 1 127 127 MET C C 127 174.169 174.169 173.897 0.272 19221 19898 1 20 . 1 1 127 127 MET CA C 127 55.130 55.130 54.626 0.504 19221 19899 1 20 . 1 1 127 127 MET CB C 127 35.300 35.300 35.854 -0.554 19221 19900 1 20 . 1 1 127 127 MET H H 127 7.487 7.487 7.693 -0.206 19221 19901 1 20 . 1 1 128 128 LEU N N 128 124.940 124.940 123.960 0.980 19221 19902 1 20 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.949 -0.059 19221 19903 1 20 . 1 1 128 128 LEU C C 128 174.857 174.857 174.748 0.109 19221 19904 1 20 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.888 0.282 19221 19905 1 20 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.159 -1.069 19221 19906 1 20 . 1 1 128 128 LEU H H 128 8.961 8.961 8.640 0.321 19221 19907 1 20 . 1 1 129 129 SER N N 129 119.080 119.080 115.383 3.697 19221 19908 1 20 . 1 1 129 129 SER HA H 129 5.503 5.503 5.047 0.456 19221 19909 1 20 . 1 1 129 129 SER C C 129 176.225 176.225 176.020 0.205 19221 19910 1 20 . 1 1 129 129 SER CA C 129 56.630 56.630 57.090 -0.460 19221 19911 1 20 . 1 1 129 129 SER CB C 129 66.030 66.030 64.923 1.107 19221 19912 1 20 . 1 1 129 129 SER H H 129 9.512 9.512 8.281 1.231 19221 19913 1 20 . 1 1 130 130 PHE N N 130 120.530 120.530 122.302 -1.772 19221 19914 1 20 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.138 0.302 19221 19915 1 20 . 1 1 130 130 PHE C C 130 179.046 179.046 177.811 1.235 19221 19916 1 20 . 1 1 130 130 PHE CA C 130 58.730 58.730 59.685 -0.955 19221 19917 1 20 . 1 1 130 130 PHE CB C 130 36.520 36.520 37.834 -1.314 19221 19918 1 20 . 1 1 130 130 PHE H H 130 8.712 8.712 9.143 -0.431 19221 19919 1 20 . 1 1 131 131 GLU N N 131 121.180 121.180 120.100 1.080 19221 19920 1 20 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.812 0.213 19221 19921 1 20 . 1 1 131 131 GLU C C 131 178.039 178.039 178.016 0.023 19221 19922 1 20 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.077 -0.207 19221 19923 1 20 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.372 0.098 19221 19924 1 20 . 1 1 131 131 GLU H H 131 8.961 8.961 8.601 0.360 19221 19925 1 20 . 1 1 132 132 ASP N N 132 120.930 120.930 119.612 1.318 19221 19926 1 20 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.449 -0.052 19221 19927 1 20 . 1 1 132 132 ASP C C 132 180.369 180.369 178.714 1.655 19221 19928 1 20 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.165 0.525 19221 19929 1 20 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.932 -0.192 19221 19930 1 20 . 1 1 132 132 ASP H H 132 8.369 8.369 7.749 0.620 19221 19931 1 20 . 1 1 133 133 ILE N N 133 120.360 120.360 120.163 0.197 19221 19932 1 20 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.618 -0.109 19221 19933 1 20 . 1 1 133 133 ILE C C 133 178.895 178.895 178.093 0.802 19221 19934 1 20 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.166 1.113 19221 19935 1 20 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.827 -0.297 19221 19936 1 20 . 1 1 133 133 ILE H H 133 8.062 8.062 8.257 -0.195 19221 19937 1 20 . 1 1 134 134 SER N N 134 120.050 120.050 116.852 3.198 19221 19938 1 20 . 1 1 134 134 SER HA H 134 4.074 4.074 4.212 -0.138 19221 19939 1 20 . 1 1 134 134 SER C C 134 176.934 176.934 176.145 0.789 19221 19940 1 20 . 1 1 134 134 SER CA C 134 61.240 61.240 61.534 -0.294 19221 19941 1 20 . 1 1 134 134 SER CB C 134 63.400 63.400 62.876 0.524 19221 19942 1 20 . 1 1 134 134 SER H H 134 8.823 8.823 8.360 0.463 19221 19943 1 20 . 1 1 135 135 LYS N N 135 119.060 119.060 120.949 -1.889 19221 19944 1 20 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.962 -0.032 19221 19945 1 20 . 1 1 135 135 LYS C C 135 178.986 178.986 178.725 0.261 19221 19946 1 20 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.997 0.273 19221 19947 1 20 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.373 0.097 19221 19948 1 20 . 1 1 135 135 LYS H H 135 8.258 8.258 7.650 0.608 19221 19949 1 20 . 1 1 136 136 ALA N N 136 118.350 118.350 119.854 -1.504 19221 19950 1 20 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.124 0.078 19221 19951 1 20 . 1 1 136 136 ALA C C 136 178.653 178.653 177.924 0.729 19221 19952 1 20 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.125 0.355 19221 19953 1 20 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.139 -0.298 19221 19954 1 20 . 1 1 136 136 ALA H H 136 7.538 7.538 8.021 -0.483 19221 19955 1 20 . 1 1 137 137 THR N N 137 101.770 101.770 106.866 -5.096 19221 19956 1 20 . 1 1 137 137 THR HA H 137 4.274 4.274 4.283 -0.009 19221 19957 1 20 . 1 1 137 137 THR C C 137 172.932 172.932 174.740 -1.808 19221 19958 1 20 . 1 1 137 137 THR CA C 137 61.990 61.990 61.356 0.634 19221 19959 1 20 . 1 1 137 137 THR CB C 137 71.200 71.200 71.118 0.081 19221 19960 1 20 . 1 1 137 137 THR H H 137 7.777 7.777 7.589 0.188 19221 19961 1 20 . 1 1 138 138 HIS N N 138 113.660 113.660 118.882 -5.222 19221 19962 1 20 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.183 -0.224 19221 19963 1 20 . 1 1 138 138 HIS C C 138 173.700 173.700 173.990 -0.290 19221 19964 1 20 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.777 -1.447 19221 19965 1 20 . 1 1 138 138 HIS CB C 138 25.410 25.410 28.355 -2.945 19221 19966 1 20 . 1 1 138 138 HIS H H 138 7.567 7.567 8.115 -0.548 19221 19967 1 20 . 1 1 139 139 LEU N N 139 120.070 120.070 120.605 -0.535 19221 19968 1 20 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.782 0.061 19221 19969 1 20 . 1 1 139 139 LEU C C 139 174.376 174.376 175.489 -1.113 19221 19970 1 20 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.028 -0.158 19221 19971 1 20 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.660 2.090 19221 19972 1 20 . 1 1 139 139 LEU H H 139 7.513 7.513 7.440 0.073 19221 19973 1 20 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.555 -0.164 19221 19974 1 20 . 1 1 140 140 PRO C C 140 177.985 177.985 178.277 -0.292 19221 19975 1 20 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.404 -0.014 19221 19976 1 20 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.431 -0.361 19221 19977 1 20 . 1 1 141 141 LYS N N 141 123.930 123.930 121.416 2.514 19221 19978 1 20 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.772 0.047 19221 19979 1 20 . 1 1 141 141 LYS C C 141 178.083 178.083 178.027 0.056 19221 19980 1 20 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.428 0.402 19221 19981 1 20 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.053 -0.163 19221 19982 1 20 . 1 1 141 141 LYS H H 141 8.950 8.950 8.623 0.327 19221 19983 1 20 . 1 1 142 142 ASP N N 142 114.510 114.510 115.038 -0.528 19221 19984 1 20 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.416 0.079 19221 19985 1 20 . 1 1 142 142 ASP C C 142 176.656 176.656 177.036 -0.380 19221 19986 1 20 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.238 -0.648 19221 19987 1 20 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.808 -1.068 19221 19988 1 20 . 1 1 142 142 ASP H H 142 8.491 8.491 8.518 -0.027 19221 19989 1 20 . 1 1 143 143 ASN N N 143 116.400 116.400 114.604 1.796 19221 19990 1 20 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.815 0.251 19221 19991 1 20 . 1 1 143 143 ASN C C 143 175.954 175.954 176.389 -0.435 19221 19992 1 20 . 1 1 143 143 ASN CA C 143 53.220 53.220 52.787 0.433 19221 19993 1 20 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.360 0.590 19221 19994 1 20 . 1 1 143 143 ASN H H 143 8.191 8.191 7.834 0.357 19221 19995 1 20 . 1 1 144 144 VAL N N 144 120.490 120.490 121.379 -0.889 19221 19996 1 20 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.427 -0.104 19221 19997 1 20 . 1 1 144 144 VAL C C 144 176.423 176.423 176.673 -0.250 19221 19998 1 20 . 1 1 144 144 VAL CA C 144 66.990 66.990 66.938 0.052 19221 19999 1 20 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.208 0.232 19221 20000 1 20 . 1 1 144 144 VAL H H 144 7.472 7.472 7.953 -0.481 19221 20001 1 20 . 1 1 145 145 GLU N N 145 122.340 122.340 118.267 4.073 19221 20002 1 20 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.508 -0.247 19221 20003 1 20 . 1 1 145 145 GLU C C 145 177.853 177.853 178.314 -0.461 19221 20004 1 20 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.386 1.444 19221 20005 1 20 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.601 0.209 19221 20006 1 20 . 1 1 145 145 GLU H H 145 9.141 9.141 7.711 1.430 19221 20007 1 20 . 1 1 146 146 HIS N N 146 116.970 116.970 119.008 -2.038 19221 20008 1 20 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.423 -0.249 19221 20009 1 20 . 1 1 146 146 HIS C C 146 177.947 177.947 177.779 0.168 19221 20010 1 20 . 1 1 146 146 HIS CA C 146 59.540 59.540 57.526 2.014 19221 20011 1 20 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.511 0.939 19221 20012 1 20 . 1 1 146 146 HIS H H 146 8.162 8.162 7.103 1.059 19221 20013 1 20 . 1 1 147 147 LEU N N 147 120.670 120.670 121.132 -0.462 19221 20014 1 20 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.147 -0.187 19221 20015 1 20 . 1 1 147 147 LEU C C 147 178.427 178.427 178.763 -0.336 19221 20016 1 20 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.100 0.170 19221 20017 1 20 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.511 0.225 19221 20018 1 20 . 1 1 147 147 LEU H H 147 7.336 7.336 7.724 -0.388 19221 20019 1 20 . 1 1 148 148 VAL N N 148 118.060 118.060 116.514 1.546 19221 20020 1 20 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.754 -0.531 19221 20021 1 20 . 1 1 148 148 VAL C C 148 177.801 177.801 178.105 -0.304 19221 20022 1 20 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.550 1.411 19221 20023 1 20 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.694 0.316 19221 20024 1 20 . 1 1 148 148 VAL H H 148 8.172 8.172 7.881 0.291 19221 20025 1 20 . 1 1 149 149 MET N N 149 117.770 117.770 120.410 -2.640 19221 20026 1 20 . 1 1 149 149 MET HA H 149 4.123 4.123 4.036 0.087 19221 20027 1 20 . 1 1 149 149 MET C C 149 179.823 179.823 178.702 1.121 19221 20028 1 20 . 1 1 149 149 MET CA C 149 58.630 58.630 59.631 -1.001 19221 20029 1 20 . 1 1 149 149 MET CB C 149 31.496 31.496 32.015 -0.519 19221 20030 1 20 . 1 1 149 149 MET H H 149 8.585 8.585 8.600 -0.015 19221 20031 1 20 . 1 1 150 150 ARG N N 150 121.900 121.900 119.392 2.508 19221 20032 1 20 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.012 0.082 19221 20033 1 20 . 1 1 150 150 ARG C C 150 177.928 177.928 178.285 -0.357 19221 20034 1 20 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.297 -1.147 19221 20035 1 20 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.707 -0.957 19221 20036 1 20 . 1 1 150 150 ARG H H 150 8.160 8.160 8.390 -0.230 19221 20037 1 20 . 1 1 151 151 ALA N N 151 121.710 121.710 122.339 -0.629 19221 20038 1 20 . 1 1 151 151 ALA HA H 151 3.798 3.798 4.060 -0.262 19221 20039 1 20 . 1 1 151 151 ALA C C 151 179.518 179.518 179.911 -0.393 19221 20040 1 20 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.094 0.646 19221 20041 1 20 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.053 -0.163 19221 20042 1 20 . 1 1 151 151 ALA H H 151 8.165 8.165 7.617 0.548 19221 20043 1 20 . 1 1 152 152 ILE N N 152 118.590 118.590 118.221 0.369 19221 20044 1 20 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.727 0.655 19221 20045 1 20 . 1 1 152 152 ILE C C 152 181.439 181.439 179.202 2.237 19221 20046 1 20 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.743 -0.183 19221 20047 1 20 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.877 0.823 19221 20048 1 20 . 1 1 152 152 ILE H H 152 8.331 8.331 8.299 0.032 19221 20049 1 20 . 1 1 153 153 SER N N 153 120.250 120.250 116.311 3.939 19221 20050 1 20 . 1 1 153 153 SER HA H 153 4.279 4.279 4.219 0.060 19221 20051 1 20 . 1 1 153 153 SER C C 153 176.745 176.745 176.233 0.512 19221 20052 1 20 . 1 1 153 153 SER CA C 153 62.040 62.040 61.571 0.469 19221 20053 1 20 . 1 1 153 153 SER CB C 153 62.930 62.930 63.106 -0.176 19221 20054 1 20 . 1 1 153 153 SER H H 153 8.756 8.756 8.243 0.513 19221 20055 1 20 . 1 1 154 154 LEU N N 154 119.480 119.480 118.474 1.006 19221 20056 1 20 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.179 0.166 19221 20057 1 20 . 1 1 154 154 LEU C C 154 177.351 177.351 177.508 -0.157 19221 20058 1 20 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.592 -0.137 19221 20059 1 20 . 1 1 154 154 LEU CB C 154 44.000 44.000 41.944 2.056 19221 20060 1 20 . 1 1 154 154 LEU H H 154 8.129 8.129 7.967 0.162 19221 20061 1 20 . 1 1 155 155 GLY N N 155 106.990 106.990 106.211 0.779 19221 20062 1 20 . 1 1 155 155 GLY C C 155 174.867 174.867 175.355 -0.488 19221 20063 1 20 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.016 -0.216 19221 20064 1 20 . 1 1 155 155 GLY H H 155 8.023 8.023 7.647 0.376 19221 20065 1 20 . 1 1 156 156 LEU N N 156 116.510 116.510 117.193 -0.683 19221 20066 1 20 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.301 -0.041 19221 20067 1 20 . 1 1 156 156 LEU C C 156 175.387 175.387 176.208 -0.821 19221 20068 1 20 . 1 1 156 156 LEU CA C 156 55.930 55.930 55.372 0.558 19221 20069 1 20 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.074 1.146 19221 20070 1 20 . 1 1 156 156 LEU H H 156 8.101 8.101 7.437 0.664 19221 20071 1 20 . 1 1 157 157 LEU N N 157 112.790 112.790 110.540 2.250 19221 20072 1 20 . 1 1 157 157 LEU HA H 157 5.000 5.000 4.907 0.093 19221 20073 1 20 . 1 1 157 157 LEU C C 157 175.382 175.382 175.203 0.179 19221 20074 1 20 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.502 0.139 19221 20075 1 20 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.681 0.879 19221 20076 1 20 . 1 1 157 157 LEU H H 157 7.194 7.194 7.299 -0.105 19221 20077 1 20 . 1 1 158 158 LYS N N 158 121.010 121.010 120.664 0.346 19221 20078 1 20 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.788 0.007 19221 20079 1 20 . 1 1 158 158 LYS C C 158 175.461 175.461 175.544 -0.083 19221 20080 1 20 . 1 1 158 158 LYS CA C 158 56.060 56.060 54.911 1.149 19221 20081 1 20 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.359 2.831 19221 20082 1 20 . 1 1 158 158 LYS H H 158 9.056 9.056 8.765 0.291 19221 20083 1 20 . 1 1 159 159 GLY N N 159 109.800 109.800 110.789 -0.989 19221 20084 1 20 . 1 1 159 159 GLY C C 159 170.992 170.992 172.896 -1.904 19221 20085 1 20 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.534 0.606 19221 20086 1 20 . 1 1 159 159 GLY H H 159 8.287 8.287 8.039 0.248 19221 20087 1 20 . 1 1 160 160 SER N N 160 112.940 112.940 114.325 -1.385 19221 20088 1 20 . 1 1 160 160 SER HA H 160 4.780 4.780 4.794 -0.014 19221 20089 1 20 . 1 1 160 160 SER C C 160 172.525 172.525 173.144 -0.619 19221 20090 1 20 . 1 1 160 160 SER CA C 160 56.840 56.840 57.282 -0.442 19221 20091 1 20 . 1 1 160 160 SER CB C 160 65.660 65.660 66.027 -0.367 19221 20092 1 20 . 1 1 160 160 SER H H 160 8.847 8.847 8.913 -0.066 19221 20093 1 20 . 1 1 161 161 ILE N N 161 123.020 123.020 122.334 0.686 19221 20094 1 20 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.278 0.128 19221 20095 1 20 . 1 1 161 161 ILE C C 161 174.457 174.457 175.741 -1.284 19221 20096 1 20 . 1 1 161 161 ILE CA C 161 61.419 61.419 60.006 1.413 19221 20097 1 20 . 1 1 161 161 ILE CB C 161 40.228 40.228 37.932 2.296 19221 20098 1 20 . 1 1 161 161 ILE H H 161 8.867 8.867 8.620 0.247 19221 20099 1 20 . 1 1 162 162 ASP N N 162 128.130 128.130 129.757 -1.627 19221 20100 1 20 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.840 0.076 19221 20101 1 20 . 1 1 162 162 ASP C C 162 176.575 176.575 176.662 -0.087 19221 20102 1 20 . 1 1 162 162 ASP CA C 162 51.740 51.740 51.825 -0.085 19221 20103 1 20 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.190 0.950 19221 20104 1 20 . 1 1 162 162 ASP H H 162 8.955 8.955 8.683 0.272 19221 20105 1 20 . 1 1 163 163 GLN N N 163 123.480 123.480 121.931 1.549 19221 20106 1 20 . 1 1 163 163 GLN HA H 163 3.853 3.853 4.075 -0.222 19221 20107 1 20 . 1 1 163 163 GLN C C 163 177.627 177.627 177.777 -0.150 19221 20108 1 20 . 1 1 163 163 GLN CA C 163 59.210 59.210 59.023 0.187 19221 20109 1 20 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.695 0.225 19221 20110 1 20 . 1 1 163 163 GLN H H 163 8.982 8.982 7.949 1.033 19221 20111 1 20 . 1 1 164 164 VAL N N 164 119.220 119.220 114.336 4.884 19221 20112 1 20 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.844 -0.161 19221 20113 1 20 . 1 1 164 164 VAL C C 164 177.519 177.519 176.854 0.665 19221 20114 1 20 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.710 1.059 19221 20115 1 20 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.256 0.674 19221 20116 1 20 . 1 1 164 164 VAL H H 164 7.974 7.974 8.253 -0.279 19221 20117 1 20 . 1 1 165 165 ASN N N 165 114.430 114.430 117.900 -3.470 19221 20118 1 20 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.741 -0.140 19221 20119 1 20 . 1 1 165 165 ASN C C 165 172.795 172.795 174.234 -1.439 19221 20120 1 20 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.109 -0.209 19221 20121 1 20 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.269 -0.439 19221 20122 1 20 . 1 1 165 165 ASN H H 165 7.502 7.502 7.799 -0.297 19221 20123 1 20 . 1 1 166 166 GLU N N 166 116.970 116.970 114.526 2.444 19221 20124 1 20 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.547 -0.533 19221 20125 1 20 . 1 1 166 166 GLU C C 166 174.562 174.562 173.382 1.180 19221 20126 1 20 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.723 -0.495 19221 20127 1 20 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.000 -0.184 19221 20128 1 20 . 1 1 166 166 GLU H H 166 7.268 7.268 7.660 -0.392 19221 20129 1 20 . 1 1 167 167 LEU N N 167 117.360 117.360 116.175 1.185 19221 20130 1 20 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.092 -0.094 19221 20131 1 20 . 1 1 167 167 LEU C C 167 175.659 175.659 175.324 0.335 19221 20132 1 20 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.144 0.526 19221 20133 1 20 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.883 0.427 19221 20134 1 20 . 1 1 167 167 LEU H H 167 7.699 7.699 7.370 0.329 19221 20135 1 20 . 1 1 168 168 VAL N N 168 125.350 125.350 118.831 6.519 19221 20136 1 20 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.718 0.121 19221 20137 1 20 . 1 1 168 168 VAL C C 168 174.792 174.792 174.817 -0.025 19221 20138 1 20 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.565 -0.435 19221 20139 1 20 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.051 -1.702 19221 20140 1 20 . 1 1 168 168 VAL H H 168 9.445 9.445 8.942 0.503 19221 20141 1 20 . 1 1 169 169 THR N N 169 123.020 123.020 122.724 0.296 19221 20142 1 20 . 1 1 169 169 THR HA H 169 4.869 4.869 5.090 -0.221 19221 20143 1 20 . 1 1 169 169 THR C C 169 173.876 173.876 173.525 0.351 19221 20144 1 20 . 1 1 169 169 THR CA C 169 61.580 61.580 61.690 -0.110 19221 20145 1 20 . 1 1 169 169 THR CB C 169 69.750 69.750 70.171 -0.422 19221 20146 1 20 . 1 1 169 169 THR H H 169 8.824 8.824 8.999 -0.175 19221 20147 1 20 . 1 1 170 170 ILE N N 170 126.700 126.700 127.133 -0.433 19221 20148 1 20 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.376 0.166 19221 20149 1 20 . 1 1 170 170 ILE C C 170 175.672 175.672 175.388 0.284 19221 20150 1 20 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.352 -0.022 19221 20151 1 20 . 1 1 170 170 ILE CB C 170 39.610 39.610 39.934 -0.324 19221 20152 1 20 . 1 1 170 170 ILE H H 170 8.911 8.911 8.635 0.276 19221 20153 1 20 . 1 1 171 171 SER N N 171 122.780 122.780 119.212 3.568 19221 20154 1 20 . 1 1 171 171 SER HA H 171 4.670 4.670 4.708 -0.038 19221 20155 1 20 . 1 1 171 171 SER C C 171 174.700 174.700 173.421 1.279 19221 20156 1 20 . 1 1 171 171 SER CA C 171 58.280 58.280 59.001 -0.721 19221 20157 1 20 . 1 1 171 171 SER CB C 171 64.560 64.560 65.653 -1.094 19221 20158 1 20 . 1 1 171 171 SER H H 171 9.242 9.242 9.099 0.143 19221 20159 1 20 . 1 1 172 172 TRP N N 172 123.970 123.970 120.360 3.610 19221 20160 1 20 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.844 -0.209 19221 20161 1 20 . 1 1 172 172 TRP C C 172 172.618 172.618 173.443 -0.825 19221 20162 1 20 . 1 1 172 172 TRP CA C 172 58.910 58.910 57.924 0.986 19221 20163 1 20 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.444 -0.794 19221 20164 1 20 . 1 1 172 172 TRP H H 172 7.929 7.929 7.770 0.159 19221 20165 1 20 . 1 1 173 173 VAL N N 173 123.660 123.660 123.069 0.591 19221 20166 1 20 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.049 0.081 19221 20167 1 20 . 1 1 173 173 VAL C C 173 170.746 170.746 172.778 -2.032 19221 20168 1 20 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.755 -0.655 19221 20169 1 20 . 1 1 173 173 VAL CB C 173 35.220 35.220 35.348 -0.128 19221 20170 1 20 . 1 1 173 173 VAL H H 173 6.764 6.764 7.241 -0.477 19221 20171 1 20 . 1 1 174 174 GLN N N 174 126.430 126.430 126.368 0.062 19221 20172 1 20 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.909 -0.303 19221 20173 1 20 . 1 1 174 174 GLN C C 174 172.955 172.955 173.949 -0.994 19221 20174 1 20 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.398 -0.348 19221 20175 1 20 . 1 1 174 174 GLN CB C 174 29.760 29.760 29.079 0.681 19221 20176 1 20 . 1 1 174 174 GLN H H 174 7.071 7.071 8.094 -1.023 19221 20177 1 20 . 1 1 175 175 PRO HA H 175 3.861 3.861 2.704 1.157 19221 20178 1 20 . 1 1 175 175 PRO C C 175 175.955 175.955 176.084 -0.129 19221 20179 1 20 . 1 1 175 175 PRO CA C 175 62.750 62.750 62.374 0.376 19221 20180 1 20 . 1 1 175 175 PRO CB C 175 32.400 32.400 31.726 0.674 19221 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 165 2.368 -0.008 2.375 19221 2 1 1 "Average Difference" HA 177 0.251 -0.015 0.252 19221 3 1 1 "Average Difference" C 170 1.069 -0.050 1.071 19221 4 1 1 "Average Difference" CA 173 0.983 -0.087 0.982 19221 5 1 1 "Average Difference" CB 168 0.860 -0.166 0.847 19221 6 1 1 "Average Difference" HN 166 0.573 -0.026 0.575 19221 7 1 2 "Average Difference" N 165 2.382 -0.140 2.385 19221 8 1 2 "Average Difference" HA 177 0.253 -0.020 0.253 19221 9 1 2 "Average Difference" C 170 1.032 -0.057 1.034 19221 10 1 2 "Average Difference" CA 173 0.986 -0.165 0.975 19221 11 1 2 "Average Difference" CB 168 0.919 -0.062 0.919 19221 12 1 2 "Average Difference" HN 166 0.577 -0.031 0.578 19221 13 1 3 "Average Difference" N 165 2.489 -0.120 2.494 19221 14 1 3 "Average Difference" HA 177 0.251 -0.036 0.249 19221 15 1 3 "Average Difference" C 170 1.014 0.025 1.017 19221 16 1 3 "Average Difference" CA 173 0.951 -0.029 0.953 19221 17 1 3 "Average Difference" CB 168 0.879 -0.142 0.870 19221 18 1 3 "Average Difference" HN 166 0.601 -0.003 0.603 19221 19 1 4 "Average Difference" N 165 2.297 -0.042 2.303 19221 20 1 4 "Average Difference" HA 177 0.265 0.011 0.266 19221 21 1 4 "Average Difference" C 170 1.131 -0.025 1.134 19221 22 1 4 "Average Difference" CA 173 1.064 -0.074 1.064 19221 23 1 4 "Average Difference" CB 168 0.896 -0.093 0.894 19221 24 1 4 "Average Difference" HN 166 0.553 -0.014 0.554 19221 25 1 5 "Average Difference" N 165 2.454 0.082 2.460 19221 26 1 5 "Average Difference" HA 177 0.300 -0.005 0.301 19221 27 1 5 "Average Difference" C 170 1.023 -0.024 1.025 19221 28 1 5 "Average Difference" CA 173 1.044 -0.028 1.046 19221 29 1 5 "Average Difference" CB 168 0.937 -0.085 0.936 19221 30 1 5 "Average Difference" HN 166 0.577 -0.003 0.579 19221 31 1 6 "Average Difference" N 165 2.482 0.013 2.489 19221 32 1 6 "Average Difference" HA 177 0.253 -0.013 0.254 19221 33 1 6 "Average Difference" C 170 1.076 -0.022 1.079 19221 34 1 6 "Average Difference" CA 173 0.975 -0.086 0.974 19221 35 1 6 "Average Difference" CB 168 0.865 -0.113 0.860 19221 36 1 6 "Average Difference" HN 166 0.617 -0.018 0.619 19221 37 1 7 "Average Difference" N 165 2.332 -0.072 2.338 19221 38 1 7 "Average Difference" HA 177 0.247 -0.009 0.248 19221 39 1 7 "Average Difference" C 170 1.022 -0.021 1.025 19221 40 1 7 "Average Difference" CA 173 0.949 -0.193 0.932 19221 41 1 7 "Average Difference" CB 168 0.922 -0.085 0.920 19221 42 1 7 "Average Difference" HN 166 0.576 -0.017 0.578 19221 43 1 8 "Average Difference" N 165 2.280 -0.067 2.286 19221 44 1 8 "Average Difference" HA 177 0.251 -0.001 0.252 19221 45 1 8 "Average Difference" C 170 1.099 -0.107 1.098 19221 46 1 8 "Average Difference" CA 173 0.945 -0.156 0.935 19221 47 1 8 "Average Difference" CB 168 0.921 -0.010 0.924 19221 48 1 8 "Average Difference" HN 166 0.551 0.012 0.553 19221 49 1 9 "Average Difference" N 165 2.533 -0.075 2.539 19221 50 1 9 "Average Difference" HA 177 0.226 -0.002 0.227 19221 51 1 9 "Average Difference" C 170 0.987 -0.054 0.988 19221 52 1 9 "Average Difference" CA 173 0.926 -0.191 0.908 19221 53 1 9 "Average Difference" CB 168 0.938 -0.068 0.938 19221 54 1 9 "Average Difference" HN 166 0.586 -0.022 0.587 19221 55 1 10 "Average Difference" N 165 2.319 0.042 2.326 19221 56 1 10 "Average Difference" HA 177 0.260 -0.024 0.260 19221 57 1 10 "Average Difference" C 170 1.005 0.003 1.008 19221 58 1 10 "Average Difference" CA 173 0.923 -0.152 0.914 19221 59 1 10 "Average Difference" CB 168 0.817 -0.143 0.806 19221 60 1 10 "Average Difference" HN 166 0.590 -0.034 0.591 19221 61 1 11 "Average Difference" N 165 2.434 0.076 2.440 19221 62 1 11 "Average Difference" HA 177 0.253 -0.008 0.254 19221 63 1 11 "Average Difference" C 170 0.977 -0.004 0.980 19221 64 1 11 "Average Difference" CA 173 0.995 -0.109 0.992 19221 65 1 11 "Average Difference" CB 168 0.968 -0.124 0.962 19221 66 1 11 "Average Difference" HN 166 0.576 -0.010 0.578 19221 67 1 12 "Average Difference" N 165 2.360 -0.027 2.367 19221 68 1 12 "Average Difference" HA 177 0.252 -0.014 0.252 19221 69 1 12 "Average Difference" C 170 1.043 0.022 1.045 19221 70 1 12 "Average Difference" CA 173 1.043 -0.048 1.045 19221 71 1 12 "Average Difference" CB 168 0.865 -0.115 0.859 19221 72 1 12 "Average Difference" HN 166 0.584 -0.019 0.585 19221 73 1 13 "Average Difference" N 165 2.379 -0.118 2.384 19221 74 1 13 "Average Difference" HA 177 0.254 -0.007 0.255 19221 75 1 13 "Average Difference" C 170 0.976 0.007 0.979 19221 76 1 13 "Average Difference" CA 173 1.044 -0.157 1.036 19221 77 1 13 "Average Difference" CB 168 0.878 -0.148 0.868 19221 78 1 13 "Average Difference" HN 166 0.585 -0.026 0.586 19221 79 1 14 "Average Difference" N 165 2.649 -0.177 2.651 19221 80 1 14 "Average Difference" HA 177 0.265 -0.006 0.266 19221 81 1 14 "Average Difference" C 170 1.090 -0.059 1.092 19221 82 1 14 "Average Difference" CA 173 1.083 -0.117 1.079 19221 83 1 14 "Average Difference" CB 168 0.968 -0.098 0.966 19221 84 1 14 "Average Difference" HN 166 0.550 -0.039 0.550 19221 85 1 15 "Average Difference" N 165 2.363 -0.149 2.366 19221 86 1 15 "Average Difference" HA 177 0.264 -0.007 0.265 19221 87 1 15 "Average Difference" C 170 0.998 -0.020 1.001 19221 88 1 15 "Average Difference" CA 173 0.960 -0.118 0.956 19221 89 1 15 "Average Difference" CB 168 0.821 -0.059 0.821 19221 90 1 15 "Average Difference" HN 166 0.602 -0.027 0.603 19221 91 1 16 "Average Difference" N 165 2.627 -0.277 2.621 19221 92 1 16 "Average Difference" HA 177 0.248 -0.018 0.248 19221 93 1 16 "Average Difference" C 170 1.038 -0.026 1.041 19221 94 1 16 "Average Difference" CA 173 1.021 -0.032 1.023 19221 95 1 16 "Average Difference" CB 168 0.942 -0.143 0.934 19221 96 1 16 "Average Difference" HN 166 0.601 -0.037 0.602 19221 97 1 17 "Average Difference" N 165 2.220 0.092 2.225 19221 98 1 17 "Average Difference" HA 177 0.229 -0.006 0.229 19221 99 1 17 "Average Difference" C 170 1.065 -0.084 1.064 19221 100 1 17 "Average Difference" CA 173 0.904 -0.162 0.892 19221 101 1 17 "Average Difference" CB 168 0.829 -0.081 0.828 19221 102 1 17 "Average Difference" HN 166 0.531 -0.022 0.532 19221 103 1 18 "Average Difference" N 165 2.516 -0.081 2.523 19221 104 1 18 "Average Difference" HA 177 0.254 -0.027 0.253 19221 105 1 18 "Average Difference" C 170 0.999 0.014 1.002 19221 106 1 18 "Average Difference" CA 173 1.007 -0.072 1.007 19221 107 1 18 "Average Difference" CB 168 0.885 -0.169 0.871 19221 108 1 18 "Average Difference" HN 166 0.595 -0.049 0.595 19221 109 1 19 "Average Difference" N 165 2.505 -0.107 2.510 19221 110 1 19 "Average Difference" HA 177 0.259 -0.013 0.260 19221 111 1 19 "Average Difference" C 170 0.978 -0.003 0.981 19221 112 1 19 "Average Difference" CA 173 1.025 -0.114 1.022 19221 113 1 19 "Average Difference" CB 168 0.939 -0.117 0.935 19221 114 1 19 "Average Difference" HN 166 0.577 -0.029 0.578 19221 115 1 20 "Average Difference" N 165 2.428 -0.112 2.432 19221 116 1 20 "Average Difference" HA 177 0.251 -0.027 0.250 19221 117 1 20 "Average Difference" C 170 0.988 -0.033 0.991 19221 118 1 20 "Average Difference" CA 173 0.925 -0.145 0.916 19221 119 1 20 "Average Difference" CB 168 0.902 -0.094 0.900 19221 120 1 20 "Average Difference" HN 166 0.607 -0.034 0.608 19221 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19221 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS HA H 2 4.140 4.140 4.112 0.028 19221 2 1 . 1 1 2 2 LYS CA C 2 56.090 56.090 56.509 -0.419 19221 3 1 . 1 1 2 2 LYS CB C 2 32.930 32.930 32.073 0.857 19221 4 1 . 1 1 4 4 ASP C C 4 176.140 176.140 176.409 -0.269 19221 5 1 . 1 1 4 4 ASP CA C 4 55.530 55.530 53.946 1.584 19221 6 1 . 1 1 4 4 ASP CB C 4 41.980 41.980 42.224 -0.244 19221 7 1 . 1 1 5 5 PHE N N 5 122.270 122.270 122.417 -0.147 19221 8 1 . 1 1 5 5 PHE HA H 5 4.179 4.179 4.341 -0.162 19221 9 1 . 1 1 5 5 PHE C C 5 177.706 177.706 177.199 0.507 19221 10 1 . 1 1 5 5 PHE CA C 5 61.880 61.880 61.657 0.223 19221 11 1 . 1 1 5 5 PHE CB C 5 38.900 38.900 38.982 -0.082 19221 12 1 . 1 1 5 5 PHE H H 5 7.853 7.853 8.786 -0.933 19221 13 1 . 1 1 6 6 ASN N N 6 114.920 114.920 118.027 -3.107 19221 14 1 . 1 1 6 6 ASN HA H 6 4.401 4.401 4.521 -0.120 19221 15 1 . 1 1 6 6 ASN C C 6 176.990 176.990 177.569 -0.579 19221 16 1 . 1 1 6 6 ASN CA C 6 56.470 56.470 56.542 -0.072 19221 17 1 . 1 1 6 6 ASN CB C 6 39.223 39.223 38.319 0.904 19221 18 1 . 1 1 6 6 ASN H H 6 8.051 8.051 8.906 -0.855 19221 19 1 . 1 1 7 7 SER N N 7 112.970 112.970 117.288 -4.318 19221 20 1 . 1 1 7 7 SER HA H 7 4.435 4.435 4.329 0.106 19221 21 1 . 1 1 7 7 SER C C 7 177.780 177.780 176.606 1.174 19221 22 1 . 1 1 7 7 SER CA C 7 61.440 61.440 61.866 -0.426 19221 23 1 . 1 1 7 7 SER CB C 7 62.770 62.770 63.204 -0.434 19221 24 1 . 1 1 7 7 SER H H 7 8.041 8.041 8.268 -0.227 19221 25 1 . 1 1 8 8 PHE N N 8 123.560 123.560 123.815 -0.255 19221 26 1 . 1 1 8 8 PHE HA H 8 4.067 4.067 4.246 -0.179 19221 27 1 . 1 1 8 8 PHE C C 8 177.959 177.959 177.218 0.741 19221 28 1 . 1 1 8 8 PHE CA C 8 62.110 62.110 61.352 0.758 19221 29 1 . 1 1 8 8 PHE CB C 8 38.966 38.966 39.217 -0.251 19221 30 1 . 1 1 8 8 PHE H H 8 8.364 8.364 8.393 -0.029 19221 31 1 . 1 1 9 9 TYR N N 9 122.550 122.550 121.395 1.155 19221 32 1 . 1 1 9 9 TYR HA H 9 4.000 4.000 3.992 0.008 19221 33 1 . 1 1 9 9 TYR C C 9 176.360 176.360 176.857 -0.497 19221 34 1 . 1 1 9 9 TYR CA C 9 62.010 62.010 62.178 -0.169 19221 35 1 . 1 1 9 9 TYR CB C 9 38.200 38.200 38.256 -0.056 19221 36 1 . 1 1 9 9 TYR H H 9 8.230 8.230 8.995 -0.765 19221 37 1 . 1 1 10 10 TYR N N 10 115.490 115.490 118.414 -2.924 19221 38 1 . 1 1 10 10 TYR HA H 10 4.106 4.106 3.996 0.110 19221 39 1 . 1 1 10 10 TYR C C 10 180.280 180.280 177.617 2.663 19221 40 1 . 1 1 10 10 TYR CA C 10 62.520 62.520 61.655 0.865 19221 41 1 . 1 1 10 10 TYR CB C 10 37.930 37.930 38.590 -0.660 19221 42 1 . 1 1 10 10 TYR H H 10 7.958 7.958 8.257 -0.299 19221 43 1 . 1 1 11 11 THR N N 11 115.140 115.140 116.765 -1.625 19221 44 1 . 1 1 11 11 THR HA H 11 3.934 3.934 3.687 0.247 19221 45 1 . 1 1 11 11 THR CA C 11 66.560 66.560 67.003 -0.443 19221 46 1 . 1 1 11 11 THR CB C 11 68.750 68.750 68.013 0.737 19221 47 1 . 1 1 11 11 THR H H 11 8.806 8.806 8.404 0.402 19221 48 1 . 1 1 12 12 SER N N 12 120.384 120.384 117.846 2.538 19221 49 1 . 1 1 12 12 SER HA H 12 3.346 3.346 4.080 -0.734 19221 50 1 . 1 1 12 12 SER C C 12 175.891 175.891 176.299 -0.408 19221 51 1 . 1 1 12 12 SER CA C 12 62.740 62.740 61.970 0.770 19221 52 1 . 1 1 12 12 SER CB C 12 62.580 62.580 62.902 -0.322 19221 53 1 . 1 1 12 12 SER H H 12 8.151 8.151 8.054 0.097 19221 54 1 . 1 1 13 13 LEU N N 13 121.640 121.640 121.422 0.218 19221 55 1 . 1 1 13 13 LEU HA H 13 3.801 3.801 3.975 -0.174 19221 56 1 . 1 1 13 13 LEU C C 13 180.374 180.374 178.455 1.919 19221 57 1 . 1 1 13 13 LEU CA C 13 58.350 58.350 57.359 0.991 19221 58 1 . 1 1 13 13 LEU CB C 13 41.410 41.410 41.732 -0.322 19221 59 1 . 1 1 13 13 LEU H H 13 7.893 7.893 7.713 0.180 19221 60 1 . 1 1 14 14 LEU N N 14 120.470 120.470 120.731 -0.261 19221 61 1 . 1 1 14 14 LEU HA H 14 4.161 4.161 3.794 0.367 19221 62 1 . 1 1 14 14 LEU C C 14 179.880 179.880 178.431 1.449 19221 63 1 . 1 1 14 14 LEU CA C 14 58.000 58.000 57.701 0.299 19221 64 1 . 1 1 14 14 LEU CB C 14 41.550 41.550 41.398 0.152 19221 65 1 . 1 1 14 14 LEU H H 14 7.528 7.528 8.226 -0.698 19221 66 1 . 1 1 15 15 TYR N N 15 122.257 122.257 119.489 2.768 19221 67 1 . 1 1 15 15 TYR HA H 15 4.265 4.265 4.161 0.104 19221 68 1 . 1 1 15 15 TYR C C 15 177.033 177.033 177.551 -0.518 19221 69 1 . 1 1 15 15 TYR CA C 15 60.730 60.730 60.991 -0.261 19221 70 1 . 1 1 15 15 TYR CB C 15 38.100 38.100 38.307 -0.207 19221 71 1 . 1 1 15 15 TYR H H 15 8.135 8.135 8.291 -0.156 19221 72 1 . 1 1 16 16 LEU N N 16 118.440 118.440 117.958 0.482 19221 73 1 . 1 1 16 16 LEU HA H 16 3.805 3.805 3.805 -0.000 19221 74 1 . 1 1 16 16 LEU C C 16 179.055 179.055 178.727 0.328 19221 75 1 . 1 1 16 16 LEU CA C 16 57.213 57.213 57.388 -0.175 19221 76 1 . 1 1 16 16 LEU CB C 16 42.065 42.065 41.568 0.497 19221 77 1 . 1 1 16 16 LEU H H 16 8.452 8.452 7.707 0.745 19221 78 1 . 1 1 17 17 SER N N 17 114.450 114.450 113.921 0.529 19221 79 1 . 1 1 17 17 SER HA H 17 4.430 4.430 4.235 0.195 19221 80 1 . 1 1 17 17 SER C C 17 175.197 175.197 175.838 -0.641 19221 81 1 . 1 1 17 17 SER CA C 17 61.040 61.040 60.805 0.235 19221 82 1 . 1 1 17 17 SER CB C 17 63.460 63.460 63.396 0.064 19221 83 1 . 1 1 17 17 SER H H 17 7.848 7.848 7.912 -0.064 19221 84 1 . 1 1 18 18 THR N N 18 110.850 110.850 112.331 -1.481 19221 85 1 . 1 1 18 18 THR HA H 18 4.452 4.452 4.225 0.227 19221 86 1 . 1 1 18 18 THR C C 18 174.439 174.439 174.752 -0.313 19221 87 1 . 1 1 18 18 THR CA C 18 61.421 61.421 62.741 -1.320 19221 88 1 . 1 1 18 18 THR CB C 18 69.940 69.940 69.367 0.573 19221 89 1 . 1 1 18 18 THR H H 18 7.505 7.505 7.683 -0.178 19221 90 1 . 1 1 19 19 LEU N N 19 123.180 123.180 122.557 0.623 19221 91 1 . 1 1 19 19 LEU HA H 19 4.160 4.160 4.206 -0.046 19221 92 1 . 1 1 19 19 LEU C C 19 176.926 176.926 175.660 1.266 19221 93 1 . 1 1 19 19 LEU CA C 19 55.290 55.290 54.772 0.517 19221 94 1 . 1 1 19 19 LEU CB C 19 42.448 42.448 43.452 -1.004 19221 95 1 . 1 1 19 19 LEU H H 19 7.095 7.095 7.340 -0.245 19221 96 1 . 1 1 20 20 GLU N N 20 125.330 125.330 122.391 2.939 19221 97 1 . 1 1 20 20 GLU HA H 20 4.608 4.608 4.522 0.086 19221 98 1 . 1 1 20 20 GLU C C 20 175.915 175.915 175.623 0.292 19221 99 1 . 1 1 20 20 GLU CA C 20 54.773 54.773 54.477 0.296 19221 100 1 . 1 1 20 20 GLU CB C 20 29.590 29.590 30.361 -0.771 19221 101 1 . 1 1 20 20 GLU H H 20 8.535 8.535 8.409 0.126 19221 102 1 . 1 1 21 21 PRO HA H 21 4.333 4.333 4.303 0.030 19221 103 1 . 1 1 21 21 PRO C C 21 177.196 177.196 177.593 -0.397 19221 104 1 . 1 1 21 21 PRO CA C 21 64.780 64.780 64.777 0.003 19221 105 1 . 1 1 21 21 PRO CB C 21 31.850 31.850 31.880 -0.030 19221 106 1 . 1 1 22 22 SER N N 22 111.220 111.220 114.009 -2.789 19221 107 1 . 1 1 22 22 SER HA H 22 4.398 4.398 4.306 0.092 19221 108 1 . 1 1 22 22 SER C C 22 175.056 175.056 175.010 0.046 19221 109 1 . 1 1 22 22 SER CA C 22 58.530 58.530 59.619 -1.089 19221 110 1 . 1 1 22 22 SER CB C 22 63.500 63.500 62.979 0.521 19221 111 1 . 1 1 22 22 SER H H 22 7.967 7.967 8.351 -0.383 19221 112 1 . 1 1 23 23 THR N N 23 117.440 117.440 112.266 5.175 19221 113 1 . 1 1 23 23 THR HA H 23 4.279 4.279 4.401 -0.122 19221 114 1 . 1 1 23 23 THR C C 23 174.573 174.573 174.600 -0.027 19221 115 1 . 1 1 23 23 THR CA C 23 62.920 62.920 61.794 1.126 19221 116 1 . 1 1 23 23 THR CB C 23 69.260 69.260 69.846 -0.586 19221 117 1 . 1 1 23 23 THR H H 23 7.936 7.936 7.782 0.154 19221 118 1 . 1 1 24 24 SER N N 24 119.820 119.820 117.800 2.020 19221 119 1 . 1 1 24 24 SER HA H 24 4.485 4.485 4.286 0.199 19221 120 1 . 1 1 24 24 SER C C 24 174.082 174.082 174.283 -0.201 19221 121 1 . 1 1 24 24 SER CA C 24 58.600 58.600 59.506 -0.906 19221 122 1 . 1 1 24 24 SER CB C 24 63.430 63.430 63.434 -0.004 19221 123 1 . 1 1 24 24 SER H H 24 8.438 8.438 8.245 0.193 19221 124 1 . 1 1 25 25 ILE N N 25 123.140 123.140 119.755 3.385 19221 125 1 . 1 1 25 25 ILE HA H 25 4.479 4.479 4.264 0.215 19221 126 1 . 1 1 25 25 ILE C C 25 176.472 176.472 175.784 0.688 19221 127 1 . 1 1 25 25 ILE CA C 25 61.010 61.010 60.731 0.279 19221 128 1 . 1 1 25 25 ILE CB C 25 39.460 39.460 39.332 0.128 19221 129 1 . 1 1 25 25 ILE H H 25 7.870 7.870 7.978 -0.108 19221 130 1 . 1 1 26 26 THR N N 26 118.120 118.120 114.463 3.657 19221 131 1 . 1 1 26 26 THR HA H 26 4.394 4.394 4.530 -0.136 19221 132 1 . 1 1 26 26 THR C C 26 175.540 175.540 175.374 0.166 19221 133 1 . 1 1 26 26 THR CA C 26 61.890 61.890 60.678 1.212 19221 134 1 . 1 1 26 26 THR CB C 26 71.320 71.320 70.442 0.879 19221 135 1 . 1 1 26 26 THR H H 26 8.649 8.649 8.172 0.477 19221 136 1 . 1 1 27 27 LEU N N 27 123.130 123.130 121.785 1.345 19221 137 1 . 1 1 27 27 LEU HA H 27 4.089 4.089 4.071 0.018 19221 138 1 . 1 1 27 27 LEU C C 27 178.653 178.653 178.201 0.452 19221 139 1 . 1 1 27 27 LEU CA C 27 58.760 58.760 57.987 0.773 19221 140 1 . 1 1 27 27 LEU CB C 27 41.180 41.180 41.503 -0.323 19221 141 1 . 1 1 27 27 LEU H H 27 8.766 8.766 8.553 0.213 19221 142 1 . 1 1 28 28 ALA N N 28 119.510 119.510 120.769 -1.259 19221 143 1 . 1 1 28 28 ALA HA H 28 4.263 4.263 4.066 0.197 19221 144 1 . 1 1 28 28 ALA C C 28 178.218 178.218 179.831 -1.613 19221 145 1 . 1 1 28 28 ALA CA C 28 55.320 55.320 54.955 0.365 19221 146 1 . 1 1 28 28 ALA CB C 28 18.120 18.120 18.123 -0.003 19221 147 1 . 1 1 28 28 ALA H H 28 8.546 8.546 8.327 0.219 19221 148 1 . 1 1 29 29 GLU N N 29 118.210 118.210 118.039 0.171 19221 149 1 . 1 1 29 29 GLU HA H 29 4.081 4.081 4.107 -0.026 19221 150 1 . 1 1 29 29 GLU C C 29 179.929 179.929 179.362 0.567 19221 151 1 . 1 1 29 29 GLU CA C 29 59.300 59.300 59.156 0.144 19221 152 1 . 1 1 29 29 GLU CB C 29 30.076 30.076 29.505 0.571 19221 153 1 . 1 1 29 29 GLU H H 29 7.719 7.719 7.982 -0.263 19221 154 1 . 1 1 30 30 ARG N N 30 121.350 121.350 120.397 0.953 19221 155 1 . 1 1 30 30 ARG HA H 30 3.959 3.959 4.016 -0.057 19221 156 1 . 1 1 30 30 ARG C C 30 177.538 177.538 178.906 -1.368 19221 157 1 . 1 1 30 30 ARG CA C 30 60.645 60.645 59.765 0.880 19221 158 1 . 1 1 30 30 ARG CB C 30 31.000 31.000 30.084 0.916 19221 159 1 . 1 1 30 30 ARG H H 30 8.410 8.410 8.303 0.106 19221 160 1 . 1 1 31 31 GLN N N 31 117.670 117.670 119.010 -1.340 19221 161 1 . 1 1 31 31 GLN HA H 31 3.952 3.952 4.031 -0.079 19221 162 1 . 1 1 31 31 GLN C C 31 178.220 178.220 178.886 -0.666 19221 163 1 . 1 1 31 31 GLN CA C 31 58.955 58.955 59.282 -0.327 19221 164 1 . 1 1 31 31 GLN CB C 31 28.630 28.630 28.606 0.024 19221 165 1 . 1 1 31 31 GLN H H 31 8.742 8.742 8.434 0.307 19221 166 1 . 1 1 32 32 GLN N N 32 117.910 117.910 118.823 -0.913 19221 167 1 . 1 1 32 32 GLN HA H 32 3.987 3.987 4.166 -0.178 19221 168 1 . 1 1 32 32 GLN C C 32 177.712 177.712 178.718 -1.006 19221 169 1 . 1 1 32 32 GLN CA C 32 58.330 58.330 58.405 -0.075 19221 170 1 . 1 1 32 32 GLN CB C 32 28.320 28.320 28.417 -0.097 19221 171 1 . 1 1 32 32 GLN H H 32 7.732 7.732 7.847 -0.115 19221 172 1 . 1 1 33 33 LEU N N 33 119.680 119.680 121.487 -1.807 19221 173 1 . 1 1 33 33 LEU HA H 33 4.404 4.404 4.090 0.314 19221 174 1 . 1 1 33 33 LEU C C 33 178.876 178.876 177.991 0.885 19221 175 1 . 1 1 33 33 LEU CA C 33 58.050 58.050 57.411 0.639 19221 176 1 . 1 1 33 33 LEU CB C 33 41.800 41.800 41.449 0.351 19221 177 1 . 1 1 33 33 LEU H H 33 7.846 7.846 8.493 -0.647 19221 178 1 . 1 1 34 34 ALA N N 34 121.660 121.660 122.378 -0.718 19221 179 1 . 1 1 34 34 ALA HA H 34 3.741 3.741 3.969 -0.228 19221 180 1 . 1 1 34 34 ALA C C 34 180.025 180.025 179.197 0.828 19221 181 1 . 1 1 34 34 ALA CA C 34 55.670 55.670 55.310 0.360 19221 182 1 . 1 1 34 34 ALA CB C 34 18.940 18.940 18.086 0.854 19221 183 1 . 1 1 34 34 ALA H H 34 8.308 8.308 8.625 -0.317 19221 184 1 . 1 1 35 35 TYR N N 35 120.860 120.860 119.640 1.220 19221 185 1 . 1 1 35 35 TYR HA H 35 3.758 3.758 3.772 -0.014 19221 186 1 . 1 1 35 35 TYR C C 35 176.384 176.384 177.228 -0.844 19221 187 1 . 1 1 35 35 TYR CA C 35 62.020 62.020 61.691 0.329 19221 188 1 . 1 1 35 35 TYR CB C 35 38.460 38.460 37.978 0.482 19221 189 1 . 1 1 35 35 TYR H H 35 8.457 8.457 8.330 0.127 19221 190 1 . 1 1 36 36 ASP N N 36 120.570 120.570 119.521 1.049 19221 191 1 . 1 1 36 36 ASP HA H 36 4.235 4.235 4.098 0.137 19221 192 1 . 1 1 36 36 ASP C C 36 180.544 180.544 178.648 1.896 19221 193 1 . 1 1 36 36 ASP CA C 36 57.940 57.940 57.472 0.468 19221 194 1 . 1 1 36 36 ASP CB C 36 40.470 40.470 40.837 -0.368 19221 195 1 . 1 1 36 36 ASP H H 36 9.072 9.072 8.365 0.707 19221 196 1 . 1 1 37 37 LEU N N 37 123.000 123.000 120.741 2.259 19221 197 1 . 1 1 37 37 LEU HA H 37 4.146 4.146 4.046 0.100 19221 198 1 . 1 1 37 37 LEU C C 37 178.743 178.743 178.794 -0.051 19221 199 1 . 1 1 37 37 LEU CA C 37 58.614 58.614 58.536 0.078 19221 200 1 . 1 1 37 37 LEU CB C 37 42.810 42.810 41.996 0.814 19221 201 1 . 1 1 37 37 LEU H H 37 9.068 9.068 8.494 0.574 19221 202 1 . 1 1 38 38 SER N N 38 116.650 116.650 115.448 1.202 19221 203 1 . 1 1 38 38 SER HA H 38 3.680 3.680 4.142 -0.462 19221 204 1 . 1 1 38 38 SER C C 38 174.113 174.113 176.667 -2.554 19221 205 1 . 1 1 38 38 SER CA C 38 59.430 59.430 62.333 -2.902 19221 206 1 . 1 1 38 38 SER CB C 38 63.559 63.559 62.805 0.754 19221 207 1 . 1 1 38 38 SER H H 38 7.824 7.824 8.006 -0.182 19221 208 1 . 1 1 39 39 ILE N N 39 121.198 121.198 122.096 -0.898 19221 209 1 . 1 1 39 39 ILE HA H 39 3.405 3.405 3.551 -0.147 19221 210 1 . 1 1 39 39 ILE C C 39 176.113 176.113 177.734 -1.621 19221 211 1 . 1 1 39 39 ILE CA C 39 62.360 62.360 63.463 -1.103 19221 212 1 . 1 1 39 39 ILE CB C 39 35.348 35.348 36.592 -1.244 19221 213 1 . 1 1 39 39 ILE H H 39 8.313 8.313 8.268 0.045 19221 214 1 . 1 1 40 40 SER N N 40 115.537 115.537 115.833 -0.296 19221 215 1 . 1 1 40 40 SER HA H 40 4.534 4.534 4.137 0.397 19221 216 1 . 1 1 40 40 SER C C 40 174.881 174.881 176.040 -1.159 19221 217 1 . 1 1 40 40 SER CA C 40 62.520 62.520 62.056 0.464 19221 218 1 . 1 1 40 40 SER CB C 40 62.670 62.670 62.902 -0.232 19221 219 1 . 1 1 40 40 SER H H 40 7.961 7.961 8.414 -0.453 19221 220 1 . 1 1 41 41 ALA N N 41 123.360 123.360 123.495 -0.135 19221 221 1 . 1 1 41 41 ALA HA H 41 3.592 3.592 3.827 -0.235 19221 222 1 . 1 1 41 41 ALA C C 41 178.822 178.822 179.659 -0.837 19221 223 1 . 1 1 41 41 ALA CA C 41 54.122 54.122 54.355 -0.233 19221 224 1 . 1 1 41 41 ALA CB C 41 18.390 18.390 18.438 -0.048 19221 225 1 . 1 1 41 41 ALA H H 41 7.878 7.878 7.836 0.042 19221 226 1 . 1 1 42 42 LEU N N 42 115.790 115.790 119.401 -3.611 19221 227 1 . 1 1 42 42 LEU HA H 42 3.576 3.576 4.103 -0.527 19221 228 1 . 1 1 42 42 LEU C C 42 179.683 179.683 178.366 1.317 19221 229 1 . 1 1 42 42 LEU CA C 42 58.731 58.731 57.674 1.057 19221 230 1 . 1 1 42 42 LEU CB C 42 42.210 42.210 42.228 -0.018 19221 231 1 . 1 1 42 42 LEU H H 42 7.737 7.737 8.060 -0.323 19221 232 1 . 1 1 43 43 LEU N N 43 113.670 113.670 113.775 -0.105 19221 233 1 . 1 1 43 43 LEU HA H 43 4.007 4.007 4.237 -0.230 19221 234 1 . 1 1 43 43 LEU C C 43 177.279 177.279 177.078 0.201 19221 235 1 . 1 1 43 43 LEU CA C 43 54.930 54.930 54.191 0.739 19221 236 1 . 1 1 43 43 LEU CB C 43 40.820 40.820 40.992 -0.171 19221 237 1 . 1 1 43 43 LEU H H 43 7.798 7.798 7.756 0.042 19221 238 1 . 1 1 44 44 GLY N N 44 108.270 108.270 108.003 0.267 19221 239 1 . 1 1 44 44 GLY C C 44 177.020 177.020 174.485 2.535 19221 240 1 . 1 1 44 44 GLY CA C 44 46.890 46.890 44.907 1.983 19221 241 1 . 1 1 44 44 GLY H H 44 7.984 7.984 7.605 0.379 19221 242 1 . 1 1 45 45 ASP N N 45 128.400 128.400 124.923 3.477 19221 243 1 . 1 1 45 45 ASP HA H 45 4.559 4.559 4.519 0.040 19221 244 1 . 1 1 45 45 ASP C C 45 177.183 177.183 176.797 0.386 19221 245 1 . 1 1 45 45 ASP CA C 45 55.450 55.450 56.737 -1.287 19221 246 1 . 1 1 45 45 ASP CB C 45 39.790 39.790 41.174 -1.384 19221 247 1 . 1 1 45 45 ASP H H 45 9.073 9.073 8.599 0.474 19221 248 1 . 1 1 46 46 LYS N N 46 117.230 117.230 115.281 1.949 19221 249 1 . 1 1 46 46 LYS HA H 46 4.945 4.945 4.460 0.485 19221 250 1 . 1 1 46 46 LYS C C 46 176.544 176.544 176.212 0.332 19221 251 1 . 1 1 46 46 LYS CA C 46 55.610 55.610 55.810 -0.200 19221 252 1 . 1 1 46 46 LYS CB C 46 33.960 33.960 32.847 1.112 19221 253 1 . 1 1 46 46 LYS H H 46 8.987 8.987 8.174 0.813 19221 254 1 . 1 1 47 47 ILE N N 47 121.540 121.540 121.434 0.106 19221 255 1 . 1 1 47 47 ILE HA H 47 4.097 4.097 3.918 0.179 19221 256 1 . 1 1 47 47 ILE C C 47 174.082 174.082 175.276 -1.194 19221 257 1 . 1 1 47 47 ILE CA C 47 61.080 61.080 61.562 -0.481 19221 258 1 . 1 1 47 47 ILE CB C 47 37.008 37.008 37.693 -0.685 19221 259 1 . 1 1 47 47 ILE H H 47 6.840 6.840 7.751 -0.911 19221 260 1 . 1 1 48 48 TYR N N 48 123.820 123.820 124.326 -0.506 19221 261 1 . 1 1 48 48 TYR HA H 48 4.309 4.309 4.240 0.069 19221 262 1 . 1 1 48 48 TYR C C 48 173.249 173.249 174.421 -1.172 19221 263 1 . 1 1 48 48 TYR CA C 48 57.350 57.350 58.596 -1.246 19221 264 1 . 1 1 48 48 TYR CB C 48 39.230 39.230 39.680 -0.450 19221 265 1 . 1 1 48 48 TYR H H 48 8.511 8.511 8.128 0.384 19221 266 1 . 1 1 49 49 ASN N N 49 116.100 116.100 118.209 -2.109 19221 267 1 . 1 1 49 49 ASN HA H 49 4.451 4.451 4.191 0.260 19221 268 1 . 1 1 49 49 ASN C C 49 175.429 175.429 175.623 -0.194 19221 269 1 . 1 1 49 49 ASN CA C 49 53.077 53.077 52.940 0.137 19221 270 1 . 1 1 49 49 ASN CB C 49 39.916 39.916 38.156 1.760 19221 271 1 . 1 1 49 49 ASN H H 49 6.906 6.906 7.648 -0.742 19221 272 1 . 1 1 50 50 PHE N N 50 124.360 124.360 117.904 6.456 19221 273 1 . 1 1 50 50 PHE HA H 50 5.011 5.011 4.205 0.806 19221 274 1 . 1 1 50 50 PHE C C 50 176.190 176.190 177.119 -0.929 19221 275 1 . 1 1 50 50 PHE CA C 50 55.863 55.863 59.430 -3.567 19221 276 1 . 1 1 50 50 PHE CB C 50 38.482 38.482 37.752 0.730 19221 277 1 . 1 1 50 50 PHE H H 50 8.980 8.980 8.185 0.795 19221 278 1 . 1 1 51 51 GLY N N 51 109.740 109.740 107.534 2.207 19221 279 1 . 1 1 51 51 GLY C C 51 175.758 175.758 175.524 0.234 19221 280 1 . 1 1 51 51 GLY CA C 51 48.300 48.300 46.976 1.324 19221 281 1 . 1 1 51 51 GLY H H 51 8.658 8.658 8.263 0.395 19221 282 1 . 1 1 52 52 GLU N N 52 120.700 120.700 121.502 -0.802 19221 283 1 . 1 1 52 52 GLU HA H 52 4.082 4.082 4.177 -0.095 19221 284 1 . 1 1 52 52 GLU C C 52 178.240 178.240 178.874 -0.634 19221 285 1 . 1 1 52 52 GLU CA C 52 59.210 59.210 58.745 0.465 19221 286 1 . 1 1 52 52 GLU CB C 52 29.739 29.739 29.585 0.154 19221 287 1 . 1 1 52 52 GLU H H 52 8.321 8.321 8.292 0.029 19221 288 1 . 1 1 53 53 LEU N N 53 119.400 119.400 122.279 -2.879 19221 289 1 . 1 1 53 53 LEU HA H 53 4.158 4.158 4.160 -0.002 19221 290 1 . 1 1 53 53 LEU C C 53 178.344 178.344 178.730 -0.386 19221 291 1 . 1 1 53 53 LEU CA C 53 57.790 57.790 58.026 -0.236 19221 292 1 . 1 1 53 53 LEU CB C 53 42.840 42.840 42.018 0.822 19221 293 1 . 1 1 53 53 LEU H H 53 7.694 7.694 7.851 -0.158 19221 294 1 . 1 1 54 54 LEU N N 54 114.230 114.230 116.380 -2.150 19221 295 1 . 1 1 54 54 LEU HA H 54 3.923 3.923 4.167 -0.244 19221 296 1 . 1 1 54 54 LEU C C 54 178.643 178.643 177.407 1.236 19221 297 1 . 1 1 54 54 LEU CA C 54 57.730 57.730 56.708 1.022 19221 298 1 . 1 1 54 54 LEU CB C 54 41.850 41.850 41.696 0.154 19221 299 1 . 1 1 54 54 LEU H H 54 8.369 8.369 8.318 0.051 19221 300 1 . 1 1 55 55 HIS N N 55 113.420 113.420 113.771 -0.351 19221 301 1 . 1 1 55 55 HIS HA H 55 4.707 4.707 4.783 -0.076 19221 302 1 . 1 1 55 55 HIS C C 55 173.981 173.981 174.734 -0.753 19221 303 1 . 1 1 55 55 HIS CA C 55 55.520 55.520 55.612 -0.092 19221 304 1 . 1 1 55 55 HIS CB C 55 29.280 29.280 31.037 -1.757 19221 305 1 . 1 1 55 55 HIS H H 55 7.569 7.569 7.691 -0.122 19221 306 1 . 1 1 56 56 HIS N N 56 126.050 126.050 122.769 3.281 19221 307 1 . 1 1 56 56 HIS HA H 56 4.481 4.481 4.685 -0.204 19221 308 1 . 1 1 56 56 HIS C C 56 176.705 176.705 174.788 1.917 19221 309 1 . 1 1 56 56 HIS CA C 56 57.350 57.350 54.949 2.401 19221 310 1 . 1 1 56 56 HIS CB C 56 31.720 31.720 31.350 0.369 19221 311 1 . 1 1 56 56 HIS H H 56 8.068 8.068 7.987 0.080 19221 312 1 . 1 1 57 57 PRO HA H 57 4.377 4.377 4.276 0.101 19221 313 1 . 1 1 57 57 PRO C C 57 179.790 179.790 177.786 2.004 19221 314 1 . 1 1 57 57 PRO CA C 57 65.440 65.440 64.805 0.636 19221 315 1 . 1 1 57 57 PRO CB C 57 32.430 32.430 31.418 1.012 19221 316 1 . 1 1 58 58 ILE N N 58 124.900 124.900 119.991 4.909 19221 317 1 . 1 1 58 58 ILE HA H 58 4.270 4.270 3.855 0.415 19221 318 1 . 1 1 58 58 ILE C C 58 177.782 177.782 176.666 1.116 19221 319 1 . 1 1 58 58 ILE CA C 58 62.530 62.530 63.307 -0.776 19221 320 1 . 1 1 58 58 ILE CB C 58 38.270 38.270 38.213 0.057 19221 321 1 . 1 1 58 58 ILE H H 58 11.871 11.871 7.715 4.156 19221 322 1 . 1 1 59 59 MET N N 59 120.230 120.230 117.085 3.145 19221 323 1 . 1 1 59 59 MET HA H 59 4.431 4.431 4.281 0.150 19221 324 1 . 1 1 59 59 MET C C 59 178.757 178.757 178.159 0.598 19221 325 1 . 1 1 59 59 MET CA C 59 55.720 55.720 56.839 -1.119 19221 326 1 . 1 1 59 59 MET CB C 59 30.980 30.980 31.263 -0.283 19221 327 1 . 1 1 59 59 MET H H 59 8.152 8.152 8.053 0.099 19221 328 1 . 1 1 60 60 GLU N N 60 119.080 119.080 119.296 -0.216 19221 329 1 . 1 1 60 60 GLU HA H 60 4.008 4.008 3.939 0.069 19221 330 1 . 1 1 60 60 GLU C C 60 178.242 178.242 178.317 -0.075 19221 331 1 . 1 1 60 60 GLU CA C 60 58.520 58.520 59.103 -0.583 19221 332 1 . 1 1 60 60 GLU CB C 60 29.547 29.547 28.929 0.618 19221 333 1 . 1 1 60 60 GLU H H 60 7.889 7.889 8.121 -0.232 19221 334 1 . 1 1 61 61 THR N N 61 106.740 106.740 110.281 -3.541 19221 335 1 . 1 1 61 61 THR HA H 61 4.120 4.120 4.140 -0.020 19221 336 1 . 1 1 61 61 THR C C 61 176.056 176.056 175.908 0.148 19221 337 1 . 1 1 61 61 THR CA C 61 64.520 64.520 64.541 -0.022 19221 338 1 . 1 1 61 61 THR CB C 61 69.420 69.420 69.198 0.222 19221 339 1 . 1 1 61 61 THR H H 61 7.558 7.558 7.678 -0.120 19221 340 1 . 1 1 62 62 ILE N N 62 113.140 113.140 114.393 -1.253 19221 341 1 . 1 1 62 62 ILE HA H 62 4.587 4.587 4.560 0.027 19221 342 1 . 1 1 62 62 ILE C C 62 176.843 176.843 176.995 -0.152 19221 343 1 . 1 1 62 62 ILE CA C 62 61.790 61.790 61.816 -0.026 19221 344 1 . 1 1 62 62 ILE CB C 62 40.370 40.370 40.073 0.297 19221 345 1 . 1 1 62 62 ILE H H 62 7.235 7.235 7.603 -0.368 19221 346 1 . 1 1 63 63 VAL N N 63 122.110 122.110 119.393 2.717 19221 347 1 . 1 1 63 63 VAL HA H 63 3.346 3.346 3.449 -0.103 19221 348 1 . 1 1 63 63 VAL C C 63 175.165 175.165 176.511 -1.346 19221 349 1 . 1 1 63 63 VAL CA C 63 64.440 64.440 65.034 -0.594 19221 350 1 . 1 1 63 63 VAL CB C 63 31.199 31.199 31.090 0.109 19221 351 1 . 1 1 63 63 VAL H H 63 7.436 7.436 7.959 -0.523 19221 352 1 . 1 1 64 64 ASN N N 64 116.810 116.810 116.453 0.357 19221 353 1 . 1 1 64 64 ASN HA H 64 4.781 4.781 4.564 0.217 19221 354 1 . 1 1 64 64 ASN C C 64 174.101 174.101 175.026 -0.925 19221 355 1 . 1 1 64 64 ASN CA C 64 52.900 52.900 53.971 -1.071 19221 356 1 . 1 1 64 64 ASN CB C 64 38.779 38.779 38.864 -0.085 19221 357 1 . 1 1 64 64 ASN H H 64 8.352 8.352 7.942 0.410 19221 358 1 . 1 1 65 65 ASP N N 65 120.930 120.930 119.362 1.568 19221 359 1 . 1 1 65 65 ASP HA H 65 4.880 4.880 4.765 0.115 19221 360 1 . 1 1 65 65 ASP C C 65 177.534 177.534 176.458 1.076 19221 361 1 . 1 1 65 65 ASP CA C 65 53.170 53.170 53.565 -0.395 19221 362 1 . 1 1 65 65 ASP CB C 65 43.100 43.100 42.387 0.713 19221 363 1 . 1 1 65 65 ASP H H 65 7.453 7.453 7.735 -0.282 19221 364 1 . 1 1 66 66 SER HA H 66 4.356 4.356 4.069 0.287 19221 365 1 . 1 1 66 66 SER C C 66 176.310 176.310 175.315 0.995 19221 366 1 . 1 1 66 66 SER CA C 66 61.350 61.350 60.611 0.739 19221 367 1 . 1 1 66 66 SER CB C 66 63.120 63.120 62.658 0.462 19221 368 1 . 1 1 66 66 SER H H 66 7.010 7.010 8.650 -1.640 19221 369 1 . 1 1 67 67 ASN N N 67 120.050 120.050 119.162 0.888 19221 370 1 . 1 1 67 67 ASN HA H 67 4.605 4.605 4.453 0.151 19221 371 1 . 1 1 67 67 ASN C C 67 176.107 176.107 175.659 0.448 19221 372 1 . 1 1 67 67 ASN CA C 67 55.570 55.570 55.519 0.051 19221 373 1 . 1 1 67 67 ASN CB C 67 38.600 38.600 38.795 -0.195 19221 374 1 . 1 1 67 67 ASN H H 67 9.014 9.014 8.365 0.649 19221 375 1 . 1 1 68 68 TYR N N 68 114.840 114.840 114.455 0.385 19221 376 1 . 1 1 68 68 TYR HA H 68 4.519 4.519 4.231 0.288 19221 377 1 . 1 1 68 68 TYR C C 68 175.709 175.709 175.760 -0.051 19221 378 1 . 1 1 68 68 TYR CA C 68 57.610 57.610 56.561 1.049 19221 379 1 . 1 1 68 68 TYR CB C 68 39.750 39.750 38.837 0.913 19221 380 1 . 1 1 68 68 TYR H H 68 8.276 8.276 7.949 0.327 19221 381 1 . 1 1 69 69 ASP N N 69 122.810 122.810 122.753 0.057 19221 382 1 . 1 1 69 69 ASP HA H 69 4.452 4.452 4.364 0.088 19221 383 1 . 1 1 69 69 ASP C C 69 178.371 178.371 177.588 0.783 19221 384 1 . 1 1 69 69 ASP CA C 69 58.630 58.630 58.275 0.355 19221 385 1 . 1 1 69 69 ASP CB C 69 40.630 40.630 40.971 -0.341 19221 386 1 . 1 1 69 69 ASP H H 69 7.806 7.806 8.306 -0.500 19221 387 1 . 1 1 70 70 TRP N N 70 117.270 117.270 118.307 -1.037 19221 388 1 . 1 1 70 70 TRP HA H 70 4.164 4.164 4.471 -0.307 19221 389 1 . 1 1 70 70 TRP C C 70 176.090 176.090 177.636 -1.546 19221 390 1 . 1 1 70 70 TRP CA C 70 58.530 58.530 59.236 -0.706 19221 391 1 . 1 1 70 70 TRP CB C 70 27.550 27.550 28.401 -0.851 19221 392 1 . 1 1 70 70 TRP H H 70 8.172 8.172 7.760 0.412 19221 393 1 . 1 1 71 71 LEU N N 71 125.263 125.263 122.016 3.247 19221 394 1 . 1 1 71 71 LEU HA H 71 3.240 3.240 3.805 -0.565 19221 395 1 . 1 1 71 71 LEU C C 71 178.306 178.306 178.294 0.012 19221 396 1 . 1 1 71 71 LEU CA C 71 57.610 57.610 57.185 0.425 19221 397 1 . 1 1 71 71 LEU CB C 71 41.190 41.190 40.737 0.453 19221 398 1 . 1 1 71 71 LEU H H 71 6.251 6.251 6.683 -0.432 19221 399 1 . 1 1 72 72 PHE N N 72 117.630 117.630 119.886 -2.256 19221 400 1 . 1 1 72 72 PHE HA H 72 3.813 3.813 3.973 -0.160 19221 401 1 . 1 1 72 72 PHE C C 72 178.797 178.797 177.226 1.571 19221 402 1 . 1 1 72 72 PHE CA C 72 62.571 62.571 61.720 0.852 19221 403 1 . 1 1 72 72 PHE CB C 72 38.810 38.810 38.931 -0.121 19221 404 1 . 1 1 72 72 PHE H H 72 6.996 6.996 8.180 -1.184 19221 405 1 . 1 1 73 73 GLN N N 73 117.950 117.950 118.092 -0.142 19221 406 1 . 1 1 73 73 GLN HA H 73 4.066 4.066 3.766 0.300 19221 407 1 . 1 1 73 73 GLN C C 73 179.341 179.341 178.297 1.044 19221 408 1 . 1 1 73 73 GLN CA C 73 59.090 59.090 58.930 0.160 19221 409 1 . 1 1 73 73 GLN CB C 73 28.250 28.250 28.739 -0.489 19221 410 1 . 1 1 73 73 GLN H H 73 8.415 8.415 8.451 -0.036 19221 411 1 . 1 1 74 74 LEU N N 74 122.275 122.275 122.403 -0.128 19221 412 1 . 1 1 74 74 LEU HA H 74 4.070 4.070 4.048 0.022 19221 413 1 . 1 1 74 74 LEU C C 74 177.889 177.889 178.282 -0.393 19221 414 1 . 1 1 74 74 LEU CA C 74 58.570 58.570 57.827 0.743 19221 415 1 . 1 1 74 74 LEU CB C 74 42.180 42.180 41.816 0.364 19221 416 1 . 1 1 74 74 LEU H H 74 8.365 8.365 8.073 0.292 19221 417 1 . 1 1 75 75 LEU N N 75 118.123 118.123 119.191 -1.068 19221 418 1 . 1 1 75 75 LEU HA H 75 3.727 3.727 3.653 0.074 19221 419 1 . 1 1 75 75 LEU C C 75 180.172 180.172 178.842 1.330 19221 420 1 . 1 1 75 75 LEU CA C 75 58.453 58.453 58.338 0.115 19221 421 1 . 1 1 75 75 LEU CB C 75 42.340 42.340 41.062 1.278 19221 422 1 . 1 1 75 75 LEU H H 75 8.210 8.210 8.539 -0.329 19221 423 1 . 1 1 76 76 ASN N N 76 117.960 117.960 118.056 -0.096 19221 424 1 . 1 1 76 76 ASN HA H 76 4.375 4.375 4.160 0.215 19221 425 1 . 1 1 76 76 ASN C C 76 176.582 176.582 177.109 -0.527 19221 426 1 . 1 1 76 76 ASN CA C 76 56.960 56.960 56.163 0.797 19221 427 1 . 1 1 76 76 ASN CB C 76 38.950 38.950 37.890 1.060 19221 428 1 . 1 1 76 76 ASN H H 76 8.363 8.363 8.232 0.131 19221 429 1 . 1 1 77 77 ALA N N 77 121.740 121.740 122.213 -0.473 19221 430 1 . 1 1 77 77 ALA HA H 77 4.167 4.167 4.027 0.140 19221 431 1 . 1 1 77 77 ALA C C 77 179.988 179.988 179.943 0.045 19221 432 1 . 1 1 77 77 ALA CA C 77 55.560 55.560 54.910 0.650 19221 433 1 . 1 1 77 77 ALA CB C 77 17.330 17.330 18.337 -1.007 19221 434 1 . 1 1 77 77 ALA H H 77 8.385 8.385 8.123 0.262 19221 435 1 . 1 1 78 78 LEU N N 78 116.550 116.550 117.976 -1.426 19221 436 1 . 1 1 78 78 LEU HA H 78 3.653 3.653 3.842 -0.189 19221 437 1 . 1 1 78 78 LEU C C 78 177.576 177.576 179.214 -1.638 19221 438 1 . 1 1 78 78 LEU CA C 78 58.984 58.984 57.824 1.160 19221 439 1 . 1 1 78 78 LEU CB C 78 42.010 42.010 41.765 0.245 19221 440 1 . 1 1 78 78 LEU H H 78 7.965 7.965 8.211 -0.246 19221 441 1 . 1 1 79 79 THR N N 79 113.220 113.220 113.704 -0.484 19221 442 1 . 1 1 79 79 THR HA H 79 3.807 3.807 4.084 -0.277 19221 443 1 . 1 1 79 79 THR C C 79 176.163 176.163 175.829 0.334 19221 444 1 . 1 1 79 79 THR CA C 79 66.980 66.980 66.077 0.903 19221 445 1 . 1 1 79 79 THR CB C 79 69.240 69.240 69.129 0.111 19221 446 1 . 1 1 79 79 THR H H 79 7.565 7.565 7.881 -0.316 19221 447 1 . 1 1 80 80 VAL N N 80 110.800 110.800 113.103 -2.303 19221 448 1 . 1 1 80 80 VAL HA H 80 4.509 4.509 4.343 0.165 19221 449 1 . 1 1 80 80 VAL C C 80 176.751 176.751 176.485 0.266 19221 450 1 . 1 1 80 80 VAL CA C 80 60.890 60.890 61.716 -0.826 19221 451 1 . 1 1 80 80 VAL CB C 80 32.005 32.005 32.194 -0.189 19221 452 1 . 1 1 80 80 VAL H H 80 7.792 7.792 7.548 0.244 19221 453 1 . 1 1 81 81 GLY N N 81 112.910 112.910 109.903 3.007 19221 454 1 . 1 1 81 81 GLY C C 81 173.874 173.874 174.156 -0.282 19221 455 1 . 1 1 81 81 GLY CA C 81 47.280 47.280 45.755 1.525 19221 456 1 . 1 1 81 81 GLY H H 81 7.506 7.506 7.577 -0.071 19221 457 1 . 1 1 82 82 ASP N N 82 119.112 119.112 120.842 -1.730 19221 458 1 . 1 1 82 82 ASP HA H 82 4.840 4.840 4.735 0.105 19221 459 1 . 1 1 82 82 ASP C C 82 175.706 175.706 176.171 -0.465 19221 460 1 . 1 1 82 82 ASP CA C 82 51.920 51.920 51.771 0.149 19221 461 1 . 1 1 82 82 ASP CB C 82 39.950 39.950 39.876 0.074 19221 462 1 . 1 1 82 82 ASP H H 82 8.254 8.254 7.968 0.286 19221 463 1 . 1 1 83 83 PHE N N 83 123.870 123.870 123.781 0.089 19221 464 1 . 1 1 83 83 PHE HA H 83 3.828 3.828 4.147 -0.319 19221 465 1 . 1 1 83 83 PHE C C 83 177.950 177.950 177.132 0.818 19221 466 1 . 1 1 83 83 PHE CA C 83 62.570 62.570 61.266 1.304 19221 467 1 . 1 1 83 83 PHE CB C 83 39.120 39.120 38.605 0.515 19221 468 1 . 1 1 83 83 PHE H H 83 8.025 8.025 7.962 0.063 19221 469 1 . 1 1 84 84 ASP N N 84 119.583 119.583 120.243 -0.660 19221 470 1 . 1 1 84 84 ASP HA H 84 4.522 4.522 4.447 0.075 19221 471 1 . 1 1 84 84 ASP C C 84 179.005 179.005 178.619 0.386 19221 472 1 . 1 1 84 84 ASP CA C 84 57.660 57.660 57.537 0.123 19221 473 1 . 1 1 84 84 ASP CB C 84 40.560 40.560 40.791 -0.231 19221 474 1 . 1 1 84 84 ASP H H 84 8.464 8.464 7.832 0.632 19221 475 1 . 1 1 85 85 LYS N N 85 122.200 122.200 119.822 2.378 19221 476 1 . 1 1 85 85 LYS HA H 85 4.092 4.092 4.084 0.008 19221 477 1 . 1 1 85 85 LYS C C 85 178.580 178.580 179.039 -0.459 19221 478 1 . 1 1 85 85 LYS CA C 85 58.250 58.250 58.706 -0.456 19221 479 1 . 1 1 85 85 LYS CB C 85 32.310 32.310 32.215 0.095 19221 480 1 . 1 1 85 85 LYS H H 85 8.009 8.009 8.354 -0.345 19221 481 1 . 1 1 86 86 PHE N N 86 118.590 118.590 121.281 -2.691 19221 482 1 . 1 1 86 86 PHE HA H 86 3.836 3.836 4.067 -0.231 19221 483 1 . 1 1 86 86 PHE C C 86 175.649 175.649 176.694 -1.045 19221 484 1 . 1 1 86 86 PHE CA C 86 62.410 62.410 61.595 0.815 19221 485 1 . 1 1 86 86 PHE CB C 86 40.080 40.080 38.854 1.226 19221 486 1 . 1 1 86 86 PHE H H 86 8.331 8.331 8.765 -0.434 19221 487 1 . 1 1 87 87 ASP N N 87 117.790 117.790 119.170 -1.380 19221 488 1 . 1 1 87 87 ASP HA H 87 4.198 4.198 4.029 0.169 19221 489 1 . 1 1 87 87 ASP C C 87 178.542 178.542 178.519 0.023 19221 490 1 . 1 1 87 87 ASP CA C 87 57.840 57.840 57.600 0.240 19221 491 1 . 1 1 87 87 ASP CB C 87 41.890 41.890 40.624 1.266 19221 492 1 . 1 1 87 87 ASP H H 87 8.560 8.560 8.674 -0.114 19221 493 1 . 1 1 88 88 SER N N 88 112.940 112.940 115.647 -2.707 19221 494 1 . 1 1 88 88 SER HA H 88 4.153 4.153 4.223 -0.070 19221 495 1 . 1 1 88 88 SER C C 88 176.823 176.823 175.907 0.916 19221 496 1 . 1 1 88 88 SER CA C 88 61.590 61.590 61.876 -0.287 19221 497 1 . 1 1 88 88 SER CB C 88 63.085 63.085 63.237 -0.152 19221 498 1 . 1 1 88 88 SER H H 88 7.757 7.757 8.061 -0.304 19221 499 1 . 1 1 89 89 LEU N N 89 121.710 121.710 120.813 0.897 19221 500 1 . 1 1 89 89 LEU HA H 89 4.168 4.168 4.163 0.005 19221 501 1 . 1 1 89 89 LEU C C 89 180.006 180.006 178.040 1.966 19221 502 1 . 1 1 89 89 LEU CA C 89 57.830 57.830 57.540 0.290 19221 503 1 . 1 1 89 89 LEU CB C 89 43.380 43.380 42.132 1.248 19221 504 1 . 1 1 89 89 LEU H H 89 8.173 8.173 7.435 0.738 19221 505 1 . 1 1 90 90 ILE N N 90 119.830 119.830 120.728 -0.898 19221 506 1 . 1 1 90 90 ILE HA H 90 3.545 3.545 3.430 0.115 19221 507 1 . 1 1 90 90 ILE C C 90 177.083 177.083 178.415 -1.333 19221 508 1 . 1 1 90 90 ILE CA C 90 62.910 62.910 64.696 -1.786 19221 509 1 . 1 1 90 90 ILE CB C 90 36.080 36.080 36.569 -0.489 19221 510 1 . 1 1 90 90 ILE H H 90 8.424 8.424 8.379 0.045 19221 511 1 . 1 1 91 91 LYS N N 91 117.980 117.980 117.797 0.183 19221 512 1 . 1 1 91 91 LYS HA H 91 3.901 3.901 3.959 -0.058 19221 513 1 . 1 1 91 91 LYS C C 91 178.803 178.803 177.875 0.928 19221 514 1 . 1 1 91 91 LYS CA C 91 59.510 59.510 59.111 0.399 19221 515 1 . 1 1 91 91 LYS CB C 91 32.760 32.760 32.331 0.429 19221 516 1 . 1 1 91 91 LYS H H 91 7.569 7.569 8.145 -0.576 19221 517 1 . 1 1 92 92 VAL N N 92 115.450 115.450 117.989 -2.539 19221 518 1 . 1 1 92 92 VAL HA H 92 3.928 3.928 3.989 -0.061 19221 519 1 . 1 1 92 92 VAL C C 92 177.767 177.767 177.459 0.308 19221 520 1 . 1 1 92 92 VAL CA C 92 64.550 64.550 64.895 -0.345 19221 521 1 . 1 1 92 92 VAL CB C 92 32.790 32.790 32.873 -0.083 19221 522 1 . 1 1 92 92 VAL H H 92 7.432 7.432 7.633 -0.201 19221 523 1 . 1 1 93 93 GLN N N 93 117.250 117.250 119.526 -2.276 19221 524 1 . 1 1 93 93 GLN HA H 93 3.997 3.997 3.957 0.040 19221 525 1 . 1 1 93 93 GLN C C 93 178.756 178.756 178.833 -0.077 19221 526 1 . 1 1 93 93 GLN CA C 93 57.560 57.560 58.046 -0.486 19221 527 1 . 1 1 93 93 GLN CB C 93 28.670 28.670 28.468 0.202 19221 528 1 . 1 1 93 93 GLN H H 93 8.127 8.127 8.499 -0.372 19221 529 1 . 1 1 94 94 ILE N N 94 118.013 118.013 119.793 -1.780 19221 530 1 . 1 1 94 94 ILE HA H 94 3.640 3.640 3.748 -0.108 19221 531 1 . 1 1 94 94 ILE C C 94 176.252 176.252 178.752 -2.500 19221 532 1 . 1 1 94 94 ILE CA C 94 64.980 64.980 63.871 1.109 19221 533 1 . 1 1 94 94 ILE CB C 94 37.130 37.130 37.012 0.118 19221 534 1 . 1 1 94 94 ILE H H 94 8.390 8.390 7.671 0.719 19221 535 1 . 1 1 95 95 SER N N 95 112.220 112.220 116.308 -4.088 19221 536 1 . 1 1 95 95 SER HA H 95 4.158 4.158 4.147 0.011 19221 537 1 . 1 1 95 95 SER C C 95 174.893 174.893 175.818 -0.925 19221 538 1 . 1 1 95 95 SER CA C 95 59.890 59.890 61.040 -1.150 19221 539 1 . 1 1 95 95 SER CB C 95 63.170 63.170 62.932 0.238 19221 540 1 . 1 1 95 95 SER H H 95 7.227 7.227 8.195 -0.968 19221 541 1 . 1 1 96 96 LYS N N 96 119.000 119.000 118.533 0.467 19221 542 1 . 1 1 96 96 LYS HA H 96 4.325 4.325 4.178 0.147 19221 543 1 . 1 1 96 96 LYS C C 96 175.903 175.903 176.058 -0.155 19221 544 1 . 1 1 96 96 LYS CA C 96 56.600 56.600 57.110 -0.510 19221 545 1 . 1 1 96 96 LYS CB C 96 33.940 33.940 33.146 0.794 19221 546 1 . 1 1 96 96 LYS H H 96 7.250 7.250 7.596 -0.346 19221 547 1 . 1 1 97 97 ILE N N 97 120.530 120.530 120.666 -0.136 19221 548 1 . 1 1 97 97 ILE HA H 97 4.599 4.599 4.561 0.038 19221 549 1 . 1 1 97 97 ILE C C 97 173.784 173.784 174.154 -0.370 19221 550 1 . 1 1 97 97 ILE CA C 97 57.412 57.412 57.886 -0.474 19221 551 1 . 1 1 97 97 ILE CB C 97 37.560 37.560 40.098 -2.538 19221 552 1 . 1 1 97 97 ILE H H 97 7.713 7.713 7.432 0.281 19221 553 1 . 1 1 98 98 PRO HA H 98 4.293 4.293 4.288 0.005 19221 554 1 . 1 1 98 98 PRO C C 98 178.885 178.885 178.332 0.553 19221 555 1 . 1 1 98 98 PRO CA C 98 66.320 66.320 65.795 0.525 19221 556 1 . 1 1 98 98 PRO CB C 98 32.270 32.270 32.093 0.177 19221 557 1 . 1 1 99 99 ILE N N 99 115.600 115.600 118.673 -3.073 19221 558 1 . 1 1 99 99 ILE HA H 99 4.292 4.292 3.905 0.387 19221 559 1 . 1 1 99 99 ILE C C 99 177.025 177.025 177.553 -0.528 19221 560 1 . 1 1 99 99 ILE CA C 99 63.780 63.780 64.383 -0.603 19221 561 1 . 1 1 99 99 ILE CB C 99 38.080 38.080 37.947 0.133 19221 562 1 . 1 1 99 99 ILE H H 99 8.552 8.552 7.983 0.569 19221 563 1 . 1 1 100 100 LEU N N 100 119.430 119.430 120.264 -0.834 19221 564 1 . 1 1 100 100 LEU HA H 100 4.223 4.223 3.996 0.227 19221 565 1 . 1 1 100 100 LEU C C 100 178.223 178.223 179.007 -0.784 19221 566 1 . 1 1 100 100 LEU CA C 100 57.110 57.110 57.761 -0.651 19221 567 1 . 1 1 100 100 LEU CB C 100 42.220 42.220 41.288 0.932 19221 568 1 . 1 1 100 100 LEU H H 100 7.404 7.404 7.645 -0.241 19221 569 1 . 1 1 101 101 ALA N N 101 121.390 121.390 120.857 0.533 19221 570 1 . 1 1 101 101 ALA HA H 101 3.917 3.917 3.963 -0.046 19221 571 1 . 1 1 101 101 ALA C C 101 181.827 181.827 180.144 1.683 19221 572 1 . 1 1 101 101 ALA CA C 101 55.410 55.410 54.797 0.613 19221 573 1 . 1 1 101 101 ALA CB C 101 17.950 17.950 18.246 -0.296 19221 574 1 . 1 1 101 101 ALA H H 101 7.839 7.839 8.126 -0.287 19221 575 1 . 1 1 102 102 GLN N N 102 115.470 115.470 116.543 -1.073 19221 576 1 . 1 1 102 102 GLN HA H 102 4.077 4.077 4.075 0.002 19221 577 1 . 1 1 102 102 GLN C C 102 176.572 176.572 176.999 -0.427 19221 578 1 . 1 1 102 102 GLN CA C 102 57.580 57.580 57.938 -0.358 19221 579 1 . 1 1 102 102 GLN CB C 102 28.630 28.630 29.121 -0.491 19221 580 1 . 1 1 102 102 GLN H H 102 8.276 8.276 7.806 0.470 19221 581 1 . 1 1 103 103 HIS N N 103 115.980 115.980 114.227 1.753 19221 582 1 . 1 1 103 103 HIS HA H 103 5.124 5.124 4.894 0.230 19221 583 1 . 1 1 103 103 HIS C C 103 175.326 175.326 174.769 0.557 19221 584 1 . 1 1 103 103 HIS CA C 103 56.350 56.350 54.693 1.657 19221 585 1 . 1 1 103 103 HIS CB C 103 30.990 30.990 29.481 1.509 19221 586 1 . 1 1 103 103 HIS H H 103 7.450 7.450 7.706 -0.256 19221 587 1 . 1 1 104 104 GLU N N 104 122.920 122.920 122.234 0.686 19221 588 1 . 1 1 104 104 GLU HA H 104 3.813 3.813 3.927 -0.114 19221 589 1 . 1 1 104 104 GLU C C 104 177.960 177.960 177.904 0.056 19221 590 1 . 1 1 104 104 GLU CA C 104 61.510 61.510 60.832 0.678 19221 591 1 . 1 1 104 104 GLU CB C 104 29.500 29.500 29.554 -0.054 19221 592 1 . 1 1 104 104 GLU H H 104 7.332 7.332 7.658 -0.326 19221 593 1 . 1 1 105 105 SER N N 105 113.180 113.180 114.865 -1.685 19221 594 1 . 1 1 105 105 SER HA H 105 4.234 4.234 4.296 -0.062 19221 595 1 . 1 1 105 105 SER C C 105 177.512 177.512 176.680 0.832 19221 596 1 . 1 1 105 105 SER CA C 105 62.100 62.100 61.221 0.879 19221 597 1 . 1 1 105 105 SER CB C 105 62.100 62.100 62.804 -0.704 19221 598 1 . 1 1 105 105 SER H H 105 8.931 8.931 8.647 0.284 19221 599 1 . 1 1 106 106 PHE N N 106 123.770 123.770 122.983 0.787 19221 600 1 . 1 1 106 106 PHE HA H 106 4.427 4.427 4.412 0.015 19221 601 1 . 1 1 106 106 PHE C C 106 178.007 178.007 177.298 0.709 19221 602 1 . 1 1 106 106 PHE CA C 106 61.390 61.390 60.781 0.609 19221 603 1 . 1 1 106 106 PHE CB C 106 39.130 39.130 38.939 0.192 19221 604 1 . 1 1 106 106 PHE H H 106 8.040 8.040 7.760 0.280 19221 605 1 . 1 1 107 107 LEU N N 107 121.397 121.397 120.445 0.952 19221 606 1 . 1 1 107 107 LEU HA H 107 4.006 4.006 3.969 0.037 19221 607 1 . 1 1 107 107 LEU C C 107 178.165 178.165 179.055 -0.890 19221 608 1 . 1 1 107 107 LEU CA C 107 58.280 58.280 58.159 0.121 19221 609 1 . 1 1 107 107 LEU CB C 107 42.169 42.169 41.448 0.721 19221 610 1 . 1 1 107 107 LEU H H 107 8.481 8.481 8.588 -0.107 19221 611 1 . 1 1 108 108 ARG N N 108 117.450 117.450 119.297 -1.847 19221 612 1 . 1 1 108 108 ARG HA H 108 4.139 4.139 4.003 0.136 19221 613 1 . 1 1 108 108 ARG C C 108 178.343 178.343 178.364 -0.021 19221 614 1 . 1 1 108 108 ARG CA C 108 59.580 59.580 59.952 -0.372 19221 615 1 . 1 1 108 108 ARG CB C 108 29.170 29.170 29.973 -0.803 19221 616 1 . 1 1 108 108 ARG H H 108 8.480 8.480 8.542 -0.062 19221 617 1 . 1 1 109 109 GLN N N 109 119.098 119.098 118.909 0.189 19221 618 1 . 1 1 109 109 GLN HA H 109 4.075 4.075 4.029 0.046 19221 619 1 . 1 1 109 109 GLN CA C 109 59.295 59.295 59.025 0.270 19221 620 1 . 1 1 109 109 GLN CB C 109 29.508 29.508 28.528 0.980 19221 621 1 . 1 1 109 109 GLN H H 109 7.886 7.886 8.163 -0.278 19221 622 1 . 1 1 110 110 LYS N N 110 121.110 121.110 120.894 0.216 19221 623 1 . 1 1 110 110 LYS HA H 110 3.988 3.988 4.023 -0.035 19221 624 1 . 1 1 110 110 LYS C C 110 178.368 178.368 178.839 -0.471 19221 625 1 . 1 1 110 110 LYS CA C 110 61.550 61.550 58.663 2.887 19221 626 1 . 1 1 110 110 LYS CB C 110 30.260 30.260 31.917 -1.657 19221 627 1 . 1 1 110 110 LYS H H 110 8.356 8.356 8.059 0.297 19221 628 1 . 1 1 111 111 ILE N N 111 116.870 116.870 120.481 -3.611 19221 629 1 . 1 1 111 111 ILE HA H 111 3.898 3.898 3.718 0.180 19221 630 1 . 1 1 111 111 ILE C C 111 178.036 178.036 177.267 0.769 19221 631 1 . 1 1 111 111 ILE CA C 111 65.101 65.101 64.376 0.726 19221 632 1 . 1 1 111 111 ILE CB C 111 36.915 36.915 37.493 -0.578 19221 633 1 . 1 1 111 111 ILE H H 111 7.848 7.848 8.180 -0.332 19221 634 1 . 1 1 112 112 CYS N N 112 123.990 123.990 118.681 5.310 19221 635 1 . 1 1 112 112 CYS HA H 112 4.081 4.081 4.139 -0.058 19221 636 1 . 1 1 112 112 CYS C C 112 176.276 176.276 176.739 -0.463 19221 637 1 . 1 1 112 112 CYS CA C 112 65.400 65.400 63.984 1.416 19221 638 1 . 1 1 112 112 CYS CB C 112 27.370 27.370 27.497 -0.127 19221 639 1 . 1 1 112 112 CYS H H 112 7.473 7.473 7.503 -0.030 19221 640 1 . 1 1 113 113 LEU N N 113 120.218 120.218 121.413 -1.195 19221 641 1 . 1 1 113 113 LEU HA H 113 3.843 3.843 3.746 0.097 19221 642 1 . 1 1 113 113 LEU C C 113 178.584 178.584 178.971 -0.387 19221 643 1 . 1 1 113 113 LEU CA C 113 58.520 58.520 58.495 0.025 19221 644 1 . 1 1 113 113 LEU CB C 113 42.550 42.550 41.612 0.938 19221 645 1 . 1 1 113 113 LEU H H 113 8.443 8.443 8.573 -0.130 19221 646 1 . 1 1 114 114 MET N N 114 116.910 116.910 117.545 -0.635 19221 647 1 . 1 1 114 114 MET HA H 114 3.952 3.952 4.144 -0.192 19221 648 1 . 1 1 114 114 MET C C 114 178.724 178.724 178.279 0.445 19221 649 1 . 1 1 114 114 MET CA C 114 60.070 60.070 59.143 0.927 19221 650 1 . 1 1 114 114 MET CB C 114 32.910 32.910 32.429 0.481 19221 651 1 . 1 1 114 114 MET H H 114 8.840 8.840 8.479 0.360 19221 652 1 . 1 1 115 115 THR N N 115 115.670 115.670 117.214 -1.544 19221 653 1 . 1 1 115 115 THR HA H 115 4.083 4.083 4.013 0.070 19221 654 1 . 1 1 115 115 THR C C 115 177.434 177.434 176.582 0.852 19221 655 1 . 1 1 115 115 THR CA C 115 66.740 66.740 67.291 -0.551 19221 656 1 . 1 1 115 115 THR CB C 115 68.630 68.630 68.550 0.080 19221 657 1 . 1 1 115 115 THR H H 115 8.095 8.095 8.169 -0.074 19221 658 1 . 1 1 116 116 LEU N N 116 125.420 125.420 123.496 1.924 19221 659 1 . 1 1 116 116 LEU HA H 116 3.855 3.855 4.034 -0.179 19221 660 1 . 1 1 116 116 LEU C C 116 176.903 176.903 177.980 -1.077 19221 661 1 . 1 1 116 116 LEU CA C 116 58.936 58.936 58.105 0.831 19221 662 1 . 1 1 116 116 LEU CB C 116 41.676 41.676 41.413 0.263 19221 663 1 . 1 1 116 116 LEU H H 116 8.164 8.164 7.816 0.348 19221 664 1 . 1 1 117 117 ILE N N 117 114.740 114.740 119.345 -4.605 19221 665 1 . 1 1 117 117 ILE HA H 117 3.619 3.619 3.456 0.163 19221 666 1 . 1 1 117 117 ILE C C 117 177.806 177.806 177.868 -0.062 19221 667 1 . 1 1 117 117 ILE CA C 117 64.590 64.590 65.829 -1.240 19221 668 1 . 1 1 117 117 ILE CB C 117 36.360 36.360 37.436 -1.076 19221 669 1 . 1 1 117 117 ILE H H 117 8.032 8.032 8.006 0.026 19221 670 1 . 1 1 118 118 GLU N N 118 121.200 121.200 120.347 0.853 19221 671 1 . 1 1 118 118 GLU HA H 118 4.200 4.200 4.058 0.142 19221 672 1 . 1 1 118 118 GLU C C 118 178.314 178.314 178.950 -0.636 19221 673 1 . 1 1 118 118 GLU CA C 118 59.980 59.980 60.026 -0.046 19221 674 1 . 1 1 118 118 GLU CB C 118 29.380 29.380 29.540 -0.160 19221 675 1 . 1 1 118 118 GLU H H 118 8.176 8.176 8.649 -0.472 19221 676 1 . 1 1 119 119 THR N N 119 114.460 114.460 117.185 -2.725 19221 677 1 . 1 1 119 119 THR HA H 119 3.917 3.917 4.009 -0.092 19221 678 1 . 1 1 119 119 THR C C 119 175.551 175.551 177.011 -1.460 19221 679 1 . 1 1 119 119 THR CA C 119 67.470 67.470 67.096 0.374 19221 680 1 . 1 1 119 119 THR CB C 119 69.110 69.110 68.607 0.503 19221 681 1 . 1 1 119 119 THR H H 119 8.008 8.008 8.143 -0.136 19221 682 1 . 1 1 120 120 VAL N N 120 118.050 118.050 121.465 -3.414 19221 683 1 . 1 1 120 120 VAL HA H 120 3.620 3.620 3.677 -0.057 19221 684 1 . 1 1 120 120 VAL C C 120 178.213 178.213 177.840 0.373 19221 685 1 . 1 1 120 120 VAL CA C 120 66.020 66.020 66.517 -0.497 19221 686 1 . 1 1 120 120 VAL CB C 120 31.830 31.830 31.391 0.439 19221 687 1 . 1 1 120 120 VAL H H 120 7.800 7.800 8.259 -0.459 19221 688 1 . 1 1 121 121 PHE N N 121 118.360 118.360 121.347 -2.987 19221 689 1 . 1 1 121 121 PHE HA H 121 4.220 4.220 4.176 0.044 19221 690 1 . 1 1 121 121 PHE C C 121 178.739 178.739 177.848 0.891 19221 691 1 . 1 1 121 121 PHE CA C 121 61.540 61.540 61.578 -0.038 19221 692 1 . 1 1 121 121 PHE CB C 121 40.130 40.130 39.192 0.938 19221 693 1 . 1 1 121 121 PHE H H 121 8.370 8.370 8.332 0.038 19221 694 1 . 1 1 122 122 VAL N N 122 118.710 118.710 118.638 0.072 19221 695 1 . 1 1 122 122 VAL HA H 122 3.625 3.625 3.565 0.060 19221 696 1 . 1 1 122 122 VAL C C 122 178.247 178.247 177.274 0.973 19221 697 1 . 1 1 122 122 VAL CA C 122 65.850 65.850 65.530 0.320 19221 698 1 . 1 1 122 122 VAL CB C 122 31.881 31.881 31.750 0.131 19221 699 1 . 1 1 122 122 VAL H H 122 8.959 8.959 8.612 0.347 19221 700 1 . 1 1 123 123 LYS N N 123 115.960 115.960 116.932 -0.972 19221 701 1 . 1 1 123 123 LYS HA H 123 4.316 4.316 4.278 0.038 19221 702 1 . 1 1 123 123 LYS C C 123 176.148 176.148 175.764 0.384 19221 703 1 . 1 1 123 123 LYS CA C 123 56.530 56.530 55.792 0.738 19221 704 1 . 1 1 123 123 LYS CB C 123 32.030 32.030 32.201 -0.172 19221 705 1 . 1 1 123 123 LYS H H 123 7.688 7.688 7.891 -0.203 19221 706 1 . 1 1 124 124 ASN N N 124 117.440 117.440 116.896 0.544 19221 707 1 . 1 1 124 124 ASN HA H 124 4.344 4.344 4.343 0.001 19221 708 1 . 1 1 124 124 ASN C C 124 174.205 174.205 174.687 -0.482 19221 709 1 . 1 1 124 124 ASN CA C 124 53.920 53.920 53.808 0.112 19221 710 1 . 1 1 124 124 ASN CB C 124 37.070 37.070 37.238 -0.168 19221 711 1 . 1 1 124 124 ASN H H 124 7.560 7.560 7.593 -0.033 19221 712 1 . 1 1 125 125 ILE N N 125 116.780 116.780 117.394 -0.614 19221 713 1 . 1 1 125 125 ILE HA H 125 4.110 4.110 4.021 0.089 19221 714 1 . 1 1 125 125 ILE C C 125 175.909 175.909 175.698 0.211 19221 715 1 . 1 1 125 125 ILE CA C 125 61.570 61.570 61.977 -0.407 19221 716 1 . 1 1 125 125 ILE CB C 125 39.970 39.970 38.186 1.784 19221 717 1 . 1 1 125 125 ILE H H 125 7.658 7.658 7.763 -0.105 19221 718 1 . 1 1 126 126 ARG N N 126 122.400 122.400 121.911 0.489 19221 719 1 . 1 1 126 126 ARG HA H 126 4.631 4.631 4.541 0.090 19221 720 1 . 1 1 126 126 ARG C C 126 175.296 175.296 175.489 -0.193 19221 721 1 . 1 1 126 126 ARG CA C 126 55.210 55.210 55.729 -0.519 19221 722 1 . 1 1 126 126 ARG CB C 126 31.217 31.217 31.882 -0.665 19221 723 1 . 1 1 126 126 ARG H H 126 8.658 8.658 8.555 0.103 19221 724 1 . 1 1 127 127 MET N N 127 119.870 119.870 119.049 0.821 19221 725 1 . 1 1 127 127 MET HA H 127 5.412 5.412 5.248 0.164 19221 726 1 . 1 1 127 127 MET C C 127 174.169 174.169 174.071 0.098 19221 727 1 . 1 1 127 127 MET CA C 127 55.130 55.130 54.451 0.679 19221 728 1 . 1 1 127 127 MET CB C 127 35.300 35.300 35.597 -0.297 19221 729 1 . 1 1 127 127 MET H H 127 7.487 7.487 7.680 -0.193 19221 730 1 . 1 1 128 128 LEU N N 128 124.940 124.940 124.472 0.468 19221 731 1 . 1 1 128 128 LEU HA H 128 4.890 4.890 4.955 -0.065 19221 732 1 . 1 1 128 128 LEU C C 128 174.857 174.857 174.688 0.169 19221 733 1 . 1 1 128 128 LEU CA C 128 54.170 54.170 53.580 0.590 19221 734 1 . 1 1 128 128 LEU CB C 128 46.090 46.090 47.089 -0.999 19221 735 1 . 1 1 128 128 LEU H H 128 8.961 8.961 8.878 0.083 19221 736 1 . 1 1 129 129 SER N N 129 119.080 119.080 115.404 3.676 19221 737 1 . 1 1 129 129 SER HA H 129 5.503 5.503 5.145 0.358 19221 738 1 . 1 1 129 129 SER C C 129 176.225 176.225 175.717 0.508 19221 739 1 . 1 1 129 129 SER CA C 129 56.630 56.630 57.029 -0.399 19221 740 1 . 1 1 129 129 SER CB C 129 66.030 66.030 65.041 0.989 19221 741 1 . 1 1 129 129 SER H H 129 9.512 9.512 8.256 1.256 19221 742 1 . 1 1 130 130 PHE N N 130 120.530 120.530 123.264 -2.734 19221 743 1 . 1 1 130 130 PHE HA H 130 4.440 4.440 4.122 0.319 19221 744 1 . 1 1 130 130 PHE C C 130 179.046 179.046 177.591 1.455 19221 745 1 . 1 1 130 130 PHE CA C 130 58.730 58.730 60.346 -1.616 19221 746 1 . 1 1 130 130 PHE CB C 130 36.520 36.520 38.166 -1.646 19221 747 1 . 1 1 130 130 PHE H H 130 8.712 8.712 9.272 -0.560 19221 748 1 . 1 1 131 131 GLU N N 131 121.180 121.180 119.819 1.361 19221 749 1 . 1 1 131 131 GLU HA H 131 4.025 4.025 3.839 0.186 19221 750 1 . 1 1 131 131 GLU C C 131 178.039 178.039 178.142 -0.103 19221 751 1 . 1 1 131 131 GLU CA C 131 59.870 59.870 60.191 -0.321 19221 752 1 . 1 1 131 131 GLU CB C 131 29.470 29.470 29.218 0.252 19221 753 1 . 1 1 131 131 GLU H H 131 8.961 8.961 8.626 0.335 19221 754 1 . 1 1 132 132 ASP N N 132 120.930 120.930 119.546 1.384 19221 755 1 . 1 1 132 132 ASP HA H 132 4.397 4.397 4.459 -0.062 19221 756 1 . 1 1 132 132 ASP C C 132 180.369 180.369 178.716 1.653 19221 757 1 . 1 1 132 132 ASP CA C 132 57.690 57.690 57.034 0.656 19221 758 1 . 1 1 132 132 ASP CB C 132 40.740 40.740 40.770 -0.030 19221 759 1 . 1 1 132 132 ASP H H 132 8.369 8.369 7.716 0.653 19221 760 1 . 1 1 133 133 ILE N N 133 120.360 120.360 120.000 0.360 19221 761 1 . 1 1 133 133 ILE HA H 133 3.509 3.509 3.595 -0.086 19221 762 1 . 1 1 133 133 ILE C C 133 178.895 178.895 178.139 0.756 19221 763 1 . 1 1 133 133 ILE CA C 133 66.280 66.280 65.482 0.798 19221 764 1 . 1 1 133 133 ILE CB C 133 37.530 37.530 37.791 -0.261 19221 765 1 . 1 1 133 133 ILE H H 133 8.062 8.062 8.177 -0.115 19221 766 1 . 1 1 134 134 SER N N 134 120.050 120.050 117.050 3.000 19221 767 1 . 1 1 134 134 SER HA H 134 4.074 4.074 4.211 -0.137 19221 768 1 . 1 1 134 134 SER C C 134 176.934 176.934 176.308 0.626 19221 769 1 . 1 1 134 134 SER CA C 134 61.240 61.240 61.616 -0.376 19221 770 1 . 1 1 134 134 SER CB C 134 63.400 63.400 62.944 0.456 19221 771 1 . 1 1 134 134 SER H H 134 8.823 8.823 8.407 0.416 19221 772 1 . 1 1 135 135 LYS N N 135 119.060 119.060 120.932 -1.872 19221 773 1 . 1 1 135 135 LYS HA H 135 3.930 3.930 3.948 -0.018 19221 774 1 . 1 1 135 135 LYS C C 135 178.986 178.986 178.506 0.480 19221 775 1 . 1 1 135 135 LYS CA C 135 59.270 59.270 58.832 0.438 19221 776 1 . 1 1 135 135 LYS CB C 135 32.470 32.470 32.241 0.229 19221 777 1 . 1 1 135 135 LYS H H 135 8.258 8.258 7.946 0.312 19221 778 1 . 1 1 136 136 ALA N N 136 118.350 118.350 119.681 -1.331 19221 779 1 . 1 1 136 136 ALA HA H 136 4.202 4.202 4.177 0.025 19221 780 1 . 1 1 136 136 ALA C C 136 178.653 178.653 177.911 0.742 19221 781 1 . 1 1 136 136 ALA CA C 136 54.480 54.480 54.080 0.400 19221 782 1 . 1 1 136 136 ALA CB C 136 18.841 18.841 19.083 -0.242 19221 783 1 . 1 1 136 136 ALA H H 136 7.538 7.538 7.884 -0.346 19221 784 1 . 1 1 137 137 THR N N 137 101.770 101.770 108.046 -6.276 19221 785 1 . 1 1 137 137 THR HA H 137 4.274 4.274 4.256 0.018 19221 786 1 . 1 1 137 137 THR C C 137 172.932 172.932 174.864 -1.932 19221 787 1 . 1 1 137 137 THR CA C 137 61.990 61.990 62.421 -0.431 19221 788 1 . 1 1 137 137 THR CB C 137 71.200 71.200 70.764 0.436 19221 789 1 . 1 1 137 137 THR H H 137 7.777 7.777 7.612 0.165 19221 790 1 . 1 1 138 138 HIS N N 138 113.660 113.660 117.736 -4.076 19221 791 1 . 1 1 138 138 HIS HA H 138 3.959 3.959 4.138 -0.179 19221 792 1 . 1 1 138 138 HIS C C 138 173.700 173.700 173.814 -0.114 19221 793 1 . 1 1 138 138 HIS CA C 138 56.330 56.330 57.572 -1.242 19221 794 1 . 1 1 138 138 HIS CB C 138 25.410 25.410 27.235 -1.825 19221 795 1 . 1 1 138 138 HIS H H 138 7.567 7.567 8.122 -0.555 19221 796 1 . 1 1 139 139 LEU N N 139 120.070 120.070 120.137 -0.067 19221 797 1 . 1 1 139 139 LEU HA H 139 4.843 4.843 4.772 0.071 19221 798 1 . 1 1 139 139 LEU C C 139 174.376 174.376 175.424 -1.048 19221 799 1 . 1 1 139 139 LEU CA C 139 51.870 51.870 52.064 -0.194 19221 800 1 . 1 1 139 139 LEU CB C 139 44.750 44.750 42.503 2.247 19221 801 1 . 1 1 139 139 LEU H H 139 7.513 7.513 7.430 0.084 19221 802 1 . 1 1 140 140 PRO HA H 140 4.391 4.391 4.579 -0.188 19221 803 1 . 1 1 140 140 PRO C C 140 177.985 177.985 178.129 -0.144 19221 804 1 . 1 1 140 140 PRO CA C 140 62.390 62.390 62.381 0.009 19221 805 1 . 1 1 140 140 PRO CB C 140 32.070 32.070 32.548 -0.478 19221 806 1 . 1 1 141 141 LYS N N 141 123.930 123.930 121.033 2.897 19221 807 1 . 1 1 141 141 LYS HA H 141 3.819 3.819 3.856 -0.037 19221 808 1 . 1 1 141 141 LYS C C 141 178.083 178.083 178.137 -0.054 19221 809 1 . 1 1 141 141 LYS CA C 141 60.830 60.830 60.269 0.561 19221 810 1 . 1 1 141 141 LYS CB C 141 31.890 31.890 32.141 -0.251 19221 811 1 . 1 1 141 141 LYS H H 141 8.950 8.950 8.640 0.310 19221 812 1 . 1 1 142 142 ASP N N 142 114.510 114.510 115.318 -0.808 19221 813 1 . 1 1 142 142 ASP HA H 142 4.495 4.495 4.481 0.015 19221 814 1 . 1 1 142 142 ASP C C 142 176.656 176.656 176.959 -0.303 19221 815 1 . 1 1 142 142 ASP CA C 142 55.590 55.590 56.154 -0.564 19221 816 1 . 1 1 142 142 ASP CB C 142 39.740 39.740 40.786 -1.046 19221 817 1 . 1 1 142 142 ASP H H 142 8.491 8.491 8.408 0.083 19221 818 1 . 1 1 143 143 ASN N N 143 116.400 116.400 115.423 0.977 19221 819 1 . 1 1 143 143 ASN HA H 143 5.066 5.066 4.827 0.239 19221 820 1 . 1 1 143 143 ASN C C 143 175.954 175.954 176.476 -0.522 19221 821 1 . 1 1 143 143 ASN CA C 143 53.220 53.220 53.547 -0.327 19221 822 1 . 1 1 143 143 ASN CB C 143 40.950 40.950 40.413 0.536 19221 823 1 . 1 1 143 143 ASN H H 143 8.191 8.191 7.902 0.289 19221 824 1 . 1 1 144 144 VAL N N 144 120.490 120.490 121.678 -1.188 19221 825 1 . 1 1 144 144 VAL HA H 144 3.323 3.323 3.503 -0.180 19221 826 1 . 1 1 144 144 VAL C C 144 176.423 176.423 176.341 0.082 19221 827 1 . 1 1 144 144 VAL CA C 144 66.990 66.990 66.212 0.778 19221 828 1 . 1 1 144 144 VAL CB C 144 31.440 31.440 31.521 -0.081 19221 829 1 . 1 1 144 144 VAL H H 144 7.472 7.472 7.995 -0.523 19221 830 1 . 1 1 145 145 GLU N N 145 122.340 122.340 118.766 3.574 19221 831 1 . 1 1 145 145 GLU HA H 145 3.261 3.261 3.583 -0.322 19221 832 1 . 1 1 145 145 GLU C C 145 177.853 177.853 178.274 -0.421 19221 833 1 . 1 1 145 145 GLU CA C 145 60.830 60.830 59.429 1.401 19221 834 1 . 1 1 145 145 GLU CB C 145 28.810 28.810 28.525 0.285 19221 835 1 . 1 1 145 145 GLU H H 145 9.141 9.141 7.999 1.142 19221 836 1 . 1 1 146 146 HIS N N 146 116.970 116.970 118.650 -1.680 19221 837 1 . 1 1 146 146 HIS HA H 146 4.174 4.174 4.377 -0.203 19221 838 1 . 1 1 146 146 HIS C C 146 177.947 177.947 177.599 0.348 19221 839 1 . 1 1 146 146 HIS CA C 146 59.540 59.540 58.549 0.991 19221 840 1 . 1 1 146 146 HIS CB C 146 30.450 30.450 29.733 0.717 19221 841 1 . 1 1 146 146 HIS H H 146 8.162 8.162 7.562 0.600 19221 842 1 . 1 1 147 147 LEU N N 147 120.670 120.670 120.862 -0.192 19221 843 1 . 1 1 147 147 LEU HA H 147 3.960 3.960 4.126 -0.166 19221 844 1 . 1 1 147 147 LEU C C 147 178.427 178.427 178.758 -0.331 19221 845 1 . 1 1 147 147 LEU CA C 147 58.270 58.270 58.035 0.235 19221 846 1 . 1 1 147 147 LEU CB C 147 41.736 41.736 41.511 0.225 19221 847 1 . 1 1 147 147 LEU H H 147 7.336 7.336 7.697 -0.361 19221 848 1 . 1 1 148 148 VAL N N 148 118.060 118.060 116.166 1.894 19221 849 1 . 1 1 148 148 VAL HA H 148 3.223 3.223 3.672 -0.449 19221 850 1 . 1 1 148 148 VAL C C 148 177.801 177.801 178.056 -0.255 19221 851 1 . 1 1 148 148 VAL CA C 148 66.961 66.961 65.754 1.207 19221 852 1 . 1 1 148 148 VAL CB C 148 31.010 31.010 30.948 0.062 19221 853 1 . 1 1 148 148 VAL H H 148 8.172 8.172 7.756 0.416 19221 854 1 . 1 1 149 149 MET N N 149 117.770 117.770 119.788 -2.018 19221 855 1 . 1 1 149 149 MET HA H 149 4.123 4.123 4.052 0.071 19221 856 1 . 1 1 149 149 MET C C 149 179.823 179.823 178.593 1.230 19221 857 1 . 1 1 149 149 MET CA C 149 58.630 58.630 59.413 -0.783 19221 858 1 . 1 1 149 149 MET CB C 149 31.496 31.496 32.018 -0.522 19221 859 1 . 1 1 149 149 MET H H 149 8.585 8.585 8.485 0.100 19221 860 1 . 1 1 150 150 ARG N N 150 121.900 121.900 119.494 2.406 19221 861 1 . 1 1 150 150 ARG HA H 150 4.094 4.094 4.036 0.058 19221 862 1 . 1 1 150 150 ARG C C 150 177.928 177.928 178.310 -0.382 19221 863 1 . 1 1 150 150 ARG CA C 150 58.150 58.150 59.075 -0.925 19221 864 1 . 1 1 150 150 ARG CB C 150 28.750 28.750 29.675 -0.925 19221 865 1 . 1 1 150 150 ARG H H 150 8.160 8.160 8.194 -0.034 19221 866 1 . 1 1 151 151 ALA N N 151 121.710 121.710 122.107 -0.397 19221 867 1 . 1 1 151 151 ALA HA H 151 3.798 3.798 3.994 -0.196 19221 868 1 . 1 1 151 151 ALA C C 151 179.518 179.518 179.566 -0.048 19221 869 1 . 1 1 151 151 ALA CA C 151 55.740 55.740 55.110 0.630 19221 870 1 . 1 1 151 151 ALA CB C 151 17.890 17.890 18.188 -0.298 19221 871 1 . 1 1 151 151 ALA H H 151 8.165 8.165 7.649 0.516 19221 872 1 . 1 1 152 152 ILE N N 152 118.590 118.590 118.314 0.276 19221 873 1 . 1 1 152 152 ILE HA H 152 4.382 4.382 3.787 0.595 19221 874 1 . 1 1 152 152 ILE C C 152 181.439 181.439 179.065 2.374 19221 875 1 . 1 1 152 152 ILE CA C 152 64.560 64.560 64.636 -0.076 19221 876 1 . 1 1 152 152 ILE CB C 152 38.700 38.700 37.908 0.792 19221 877 1 . 1 1 152 152 ILE H H 152 8.331 8.331 8.019 0.312 19221 878 1 . 1 1 153 153 SER N N 153 120.250 120.250 116.391 3.859 19221 879 1 . 1 1 153 153 SER HA H 153 4.279 4.279 4.208 0.071 19221 880 1 . 1 1 153 153 SER C C 153 176.745 176.745 176.176 0.569 19221 881 1 . 1 1 153 153 SER CA C 153 62.040 62.040 61.449 0.591 19221 882 1 . 1 1 153 153 SER CB C 153 62.930 62.930 63.126 -0.196 19221 883 1 . 1 1 153 153 SER H H 153 8.756 8.756 8.071 0.685 19221 884 1 . 1 1 154 154 LEU N N 154 119.480 119.480 118.303 1.177 19221 885 1 . 1 1 154 154 LEU HA H 154 4.345 4.345 4.202 0.143 19221 886 1 . 1 1 154 154 LEU C C 154 177.351 177.351 177.449 -0.098 19221 887 1 . 1 1 154 154 LEU CA C 154 55.455 55.455 55.634 -0.179 19221 888 1 . 1 1 154 154 LEU CB C 154 44.000 44.000 42.002 1.998 19221 889 1 . 1 1 154 154 LEU H H 154 8.129 8.129 8.037 0.092 19221 890 1 . 1 1 155 155 GLY N N 155 106.990 106.990 106.421 0.569 19221 891 1 . 1 1 155 155 GLY C C 155 174.867 174.867 175.399 -0.532 19221 892 1 . 1 1 155 155 GLY CA C 155 45.800 45.800 46.137 -0.337 19221 893 1 . 1 1 155 155 GLY H H 155 8.023 8.023 7.788 0.235 19221 894 1 . 1 1 156 156 LEU N N 156 116.510 116.510 118.323 -1.813 19221 895 1 . 1 1 156 156 LEU HA H 156 4.260 4.260 4.183 0.077 19221 896 1 . 1 1 156 156 LEU C C 156 175.387 175.387 176.205 -0.818 19221 897 1 . 1 1 156 156 LEU CA C 156 55.930 55.930 56.155 -0.224 19221 898 1 . 1 1 156 156 LEU CB C 156 43.220 43.220 42.286 0.934 19221 899 1 . 1 1 156 156 LEU H H 156 8.101 8.101 7.582 0.519 19221 900 1 . 1 1 157 157 LEU N N 157 112.790 112.790 110.786 2.004 19221 901 1 . 1 1 157 157 LEU HA H 157 5.000 5.000 5.032 -0.032 19221 902 1 . 1 1 157 157 LEU C C 157 175.382 175.382 175.062 0.320 19221 903 1 . 1 1 157 157 LEU CA C 157 53.640 53.640 53.401 0.239 19221 904 1 . 1 1 157 157 LEU CB C 157 46.560 46.560 45.500 1.060 19221 905 1 . 1 1 157 157 LEU H H 157 7.194 7.194 7.321 -0.127 19221 906 1 . 1 1 158 158 LYS N N 158 121.010 121.010 120.488 0.522 19221 907 1 . 1 1 158 158 LYS HA H 158 4.795 4.795 4.792 0.003 19221 908 1 . 1 1 158 158 LYS C C 158 175.461 175.461 175.495 -0.034 19221 909 1 . 1 1 158 158 LYS CA C 158 56.060 56.060 55.410 0.650 19221 910 1 . 1 1 158 158 LYS CB C 158 36.190 36.190 33.968 2.222 19221 911 1 . 1 1 158 158 LYS H H 158 9.056 9.056 8.789 0.267 19221 912 1 . 1 1 159 159 GLY N N 159 109.800 109.800 111.105 -1.305 19221 913 1 . 1 1 159 159 GLY C C 159 170.992 170.992 172.939 -1.947 19221 914 1 . 1 1 159 159 GLY CA C 159 46.140 46.140 45.252 0.888 19221 915 1 . 1 1 159 159 GLY H H 159 8.287 8.287 8.091 0.196 19221 916 1 . 1 1 160 160 SER N N 160 112.940 112.940 114.628 -1.688 19221 917 1 . 1 1 160 160 SER HA H 160 4.780 4.780 4.760 0.020 19221 918 1 . 1 1 160 160 SER C C 160 172.525 172.525 173.293 -0.767 19221 919 1 . 1 1 160 160 SER CA C 160 56.840 56.840 57.486 -0.646 19221 920 1 . 1 1 160 160 SER CB C 160 65.660 65.660 66.232 -0.573 19221 921 1 . 1 1 160 160 SER H H 160 8.847 8.847 8.856 -0.009 19221 922 1 . 1 1 161 161 ILE N N 161 123.020 123.020 123.871 -0.851 19221 923 1 . 1 1 161 161 ILE HA H 161 4.406 4.406 4.182 0.224 19221 924 1 . 1 1 161 161 ILE C C 161 174.457 174.457 175.910 -1.453 19221 925 1 . 1 1 161 161 ILE CA C 161 61.419 61.419 61.056 0.363 19221 926 1 . 1 1 161 161 ILE CB C 161 40.228 40.228 38.615 1.613 19221 927 1 . 1 1 161 161 ILE H H 161 8.867 8.867 8.689 0.178 19221 928 1 . 1 1 162 162 ASP N N 162 128.130 128.130 127.523 0.607 19221 929 1 . 1 1 162 162 ASP HA H 162 4.916 4.916 4.892 0.024 19221 930 1 . 1 1 162 162 ASP C C 162 176.575 176.575 176.507 0.068 19221 931 1 . 1 1 162 162 ASP CA C 162 51.740 51.740 52.586 -0.846 19221 932 1 . 1 1 162 162 ASP CB C 162 41.140 41.140 40.739 0.401 19221 933 1 . 1 1 162 162 ASP H H 162 8.955 8.955 8.684 0.271 19221 934 1 . 1 1 163 163 GLN N N 163 123.480 123.480 121.724 1.756 19221 935 1 . 1 1 163 163 GLN HA H 163 3.853 3.853 3.898 -0.045 19221 936 1 . 1 1 163 163 GLN C C 163 177.627 177.627 177.534 0.093 19221 937 1 . 1 1 163 163 GLN CA C 163 59.210 59.210 58.766 0.444 19221 938 1 . 1 1 163 163 GLN CB C 163 28.920 28.920 28.414 0.506 19221 939 1 . 1 1 163 163 GLN H H 163 8.982 8.982 8.569 0.413 19221 940 1 . 1 1 164 164 VAL N N 164 119.220 119.220 119.087 0.133 19221 941 1 . 1 1 164 164 VAL HA H 164 3.683 3.683 3.759 -0.076 19221 942 1 . 1 1 164 164 VAL C C 164 177.519 177.519 177.123 0.396 19221 943 1 . 1 1 164 164 VAL CA C 164 65.770 65.770 64.775 0.995 19221 944 1 . 1 1 164 164 VAL CB C 164 31.930 31.930 31.395 0.534 19221 945 1 . 1 1 164 164 VAL H H 164 7.974 7.974 8.176 -0.202 19221 946 1 . 1 1 165 165 ASN N N 165 114.430 114.430 116.074 -1.644 19221 947 1 . 1 1 165 165 ASN HA H 165 4.601 4.601 4.715 -0.114 19221 948 1 . 1 1 165 165 ASN C C 165 172.795 172.795 174.299 -1.504 19221 949 1 . 1 1 165 165 ASN CA C 165 52.900 52.900 53.145 -0.245 19221 950 1 . 1 1 165 165 ASN CB C 165 38.830 38.830 39.185 -0.355 19221 951 1 . 1 1 165 165 ASN H H 165 7.502 7.502 7.847 -0.345 19221 952 1 . 1 1 166 166 GLU N N 166 116.970 116.970 114.367 2.603 19221 953 1 . 1 1 166 166 GLU HA H 166 2.014 2.014 2.809 -0.795 19221 954 1 . 1 1 166 166 GLU C C 166 174.562 174.562 173.736 0.826 19221 955 1 . 1 1 166 166 GLU CA C 166 56.228 56.228 56.813 -0.585 19221 956 1 . 1 1 166 166 GLU CB C 166 26.816 26.816 27.035 -0.219 19221 957 1 . 1 1 166 166 GLU H H 166 7.268 7.268 7.643 -0.375 19221 958 1 . 1 1 167 167 LEU N N 167 117.360 117.360 116.526 0.834 19221 959 1 . 1 1 167 167 LEU HA H 167 4.998 4.998 5.130 -0.132 19221 960 1 . 1 1 167 167 LEU C C 167 175.659 175.659 175.498 0.161 19221 961 1 . 1 1 167 167 LEU CA C 167 53.670 53.670 53.321 0.349 19221 962 1 . 1 1 167 167 LEU CB C 167 47.310 47.310 46.694 0.616 19221 963 1 . 1 1 167 167 LEU H H 167 7.699 7.699 7.587 0.112 19221 964 1 . 1 1 168 168 VAL N N 168 125.350 125.350 118.026 7.324 19221 965 1 . 1 1 168 168 VAL HA H 168 4.839 4.839 4.764 0.075 19221 966 1 . 1 1 168 168 VAL C C 168 174.792 174.792 174.797 -0.005 19221 967 1 . 1 1 168 168 VAL CA C 168 61.130 61.130 61.111 0.019 19221 968 1 . 1 1 168 168 VAL CB C 168 34.349 34.349 36.084 -1.735 19221 969 1 . 1 1 168 168 VAL H H 168 9.445 9.445 9.025 0.420 19221 970 1 . 1 1 169 169 THR N N 169 123.020 123.020 122.123 0.897 19221 971 1 . 1 1 169 169 THR HA H 169 4.869 4.869 5.118 -0.249 19221 972 1 . 1 1 169 169 THR C C 169 173.876 173.876 173.578 0.298 19221 973 1 . 1 1 169 169 THR CA C 169 61.580 61.580 61.666 -0.086 19221 974 1 . 1 1 169 169 THR CB C 169 69.750 69.750 70.097 -0.347 19221 975 1 . 1 1 169 169 THR H H 169 8.824 8.824 9.053 -0.229 19221 976 1 . 1 1 170 170 ILE N N 170 126.700 126.700 127.086 -0.386 19221 977 1 . 1 1 170 170 ILE HA H 170 4.542 4.542 4.414 0.128 19221 978 1 . 1 1 170 170 ILE C C 170 175.672 175.672 175.394 0.278 19221 979 1 . 1 1 170 170 ILE CA C 170 60.330 60.330 60.460 -0.130 19221 980 1 . 1 1 170 170 ILE CB C 170 39.610 39.610 40.076 -0.466 19221 981 1 . 1 1 170 170 ILE H H 170 8.911 8.911 8.695 0.216 19221 982 1 . 1 1 171 171 SER N N 171 122.780 122.780 119.155 3.625 19221 983 1 . 1 1 171 171 SER HA H 171 4.670 4.670 4.764 -0.094 19221 984 1 . 1 1 171 171 SER C C 171 174.700 174.700 173.537 1.163 19221 985 1 . 1 1 171 171 SER CA C 171 58.280 58.280 58.894 -0.614 19221 986 1 . 1 1 171 171 SER CB C 171 64.560 64.560 65.637 -1.077 19221 987 1 . 1 1 171 171 SER H H 171 9.242 9.242 9.162 0.080 19221 988 1 . 1 1 172 172 TRP N N 172 123.970 123.970 120.785 3.185 19221 989 1 . 1 1 172 172 TRP HA H 172 4.635 4.635 4.858 -0.223 19221 990 1 . 1 1 172 172 TRP C C 172 172.618 172.618 173.425 -0.807 19221 991 1 . 1 1 172 172 TRP CA C 172 58.910 58.910 58.039 0.871 19221 992 1 . 1 1 172 172 TRP CB C 172 31.650 31.650 32.530 -0.880 19221 993 1 . 1 1 172 172 TRP H H 172 7.929 7.929 7.667 0.262 19221 994 1 . 1 1 173 173 VAL N N 173 123.660 123.660 122.654 1.006 19221 995 1 . 1 1 173 173 VAL HA H 173 4.130 4.130 4.115 0.015 19221 996 1 . 1 1 173 173 VAL C C 173 170.746 170.746 173.109 -2.363 19221 997 1 . 1 1 173 173 VAL CA C 173 59.100 59.100 59.679 -0.579 19221 998 1 . 1 1 173 173 VAL CB C 173 35.220 35.220 34.979 0.241 19221 999 1 . 1 1 173 173 VAL H H 173 6.764 6.764 7.390 -0.626 19221 1000 1 . 1 1 174 174 GLN N N 174 126.430 126.430 125.974 0.456 19221 1001 1 . 1 1 174 174 GLN HA H 174 3.606 3.606 3.949 -0.343 19221 1002 1 . 1 1 174 174 GLN C C 174 172.955 172.955 174.393 -1.438 19221 1003 1 . 1 1 174 174 GLN CA C 174 54.050 54.050 54.497 -0.447 19221 1004 1 . 1 1 174 174 GLN CB C 174 29.760 29.760 28.724 1.036 19221 1005 1 . 1 1 174 174 GLN H H 174 7.071 7.071 8.151 -1.080 19221 1006 1 . 1 1 175 175 PRO HA H 175 3.861 3.861 3.701 0.160 19221 1007 1 . 1 1 175 175 PRO C C 175 175.955 175.955 176.265 -0.310 19221 1008 1 . 1 1 175 175 PRO CA C 175 62.750 62.750 63.177 -0.427 19221 1009 1 . 1 1 175 175 PRO CB C 175 32.400 32.400 32.014 0.386 19221 stop_ save_