data_18302 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18302 _Entry.PDB_ID 2LQC 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 18302 _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 ASP HA H 2 4.616 4.616 4.460 0.156 18302 2 1 1 . 1 1 2 2 ASP C C 2 175.975 175.975 176.939 -0.964 18302 3 1 1 . 1 1 2 2 ASP CA C 2 54.666 54.666 55.100 -0.434 18302 4 1 1 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.939 0.249 18302 5 1 1 . 1 1 3 3 GLN N N 3 119.995 119.995 118.814 1.181 18302 6 1 1 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.335 0.048 18302 7 1 1 . 1 1 3 3 GLN C C 3 175.927 175.927 175.569 0.358 18302 8 1 1 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.209 -2.556 18302 9 1 1 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.558 -0.324 18302 10 1 1 . 1 1 3 3 GLN H H 3 8.414 8.414 7.932 0.482 18302 11 1 1 . 1 1 4 4 LEU N N 4 123.586 123.586 124.217 -0.631 18302 12 1 1 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.328 0.342 18302 13 1 1 . 1 1 4 4 LEU C C 4 177.983 177.983 177.368 0.615 18302 14 1 1 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.867 -1.201 18302 15 1 1 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.915 0.617 18302 16 1 1 . 1 1 4 4 LEU H H 4 8.352 8.352 8.378 -0.026 18302 17 1 1 . 1 1 5 5 THR N N 5 113.292 113.292 115.909 -2.617 18302 18 1 1 . 1 1 5 5 THR HA H 5 4.470 4.470 4.360 0.110 18302 19 1 1 . 1 1 5 5 THR C C 5 175.729 175.729 174.040 1.689 18302 20 1 1 . 1 1 5 5 THR CA C 5 60.526 60.526 61.839 -1.313 18302 21 1 1 . 1 1 5 5 THR CB C 5 71.541 71.541 70.139 1.402 18302 22 1 1 . 1 1 5 5 THR H H 5 8.735 8.735 7.859 0.876 18302 23 1 1 . 1 1 6 6 GLU N N 6 120.507 120.507 122.469 -1.962 18302 24 1 1 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.991 -0.000 18302 25 1 1 . 1 1 6 6 GLU C C 6 179.816 179.816 177.796 2.020 18302 26 1 1 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.278 -0.338 18302 27 1 1 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.711 -0.477 18302 28 1 1 . 1 1 6 6 GLU H H 6 9.060 9.060 8.889 0.171 18302 29 1 1 . 1 1 7 7 GLU N N 7 120.000 120.000 119.205 0.795 18302 30 1 1 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.875 0.210 18302 31 1 1 . 1 1 7 7 GLU C C 7 179.588 179.588 178.560 1.028 18302 32 1 1 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.793 0.147 18302 33 1 1 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.896 -0.063 18302 34 1 1 . 1 1 7 7 GLU H H 7 8.770 8.770 8.739 0.031 18302 35 1 1 . 1 1 8 8 GLN N N 8 120.798 120.798 119.227 1.571 18302 36 1 1 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.091 -0.261 18302 37 1 1 . 1 1 8 8 GLN C C 8 178.179 178.179 178.676 -0.497 18302 38 1 1 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.048 -0.729 18302 39 1 1 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.101 1.132 18302 40 1 1 . 1 1 8 8 GLN H H 8 7.755 7.755 8.345 -0.590 18302 41 1 1 . 1 1 9 9 ILE N N 9 119.028 119.028 116.663 2.365 18302 42 1 1 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.955 -0.355 18302 43 1 1 . 1 1 9 9 ILE C C 9 178.147 178.147 177.900 0.247 18302 44 1 1 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.965 1.655 18302 45 1 1 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.348 0.304 18302 46 1 1 . 1 1 9 9 ILE H H 9 8.253 8.253 7.601 0.652 18302 47 1 1 . 1 1 10 10 ALA N N 10 120.587 120.587 122.588 -2.001 18302 48 1 1 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.871 0.269 18302 49 1 1 . 1 1 10 10 ALA C C 10 181.279 181.279 179.364 1.915 18302 50 1 1 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.194 0.058 18302 51 1 1 . 1 1 10 10 ALA CB C 10 17.500 17.500 18.162 -0.662 18302 52 1 1 . 1 1 10 10 ALA H H 10 8.051 8.051 8.220 -0.169 18302 53 1 1 . 1 1 11 11 GLU N N 11 120.436 120.436 120.651 -0.215 18302 54 1 1 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.135 0.060 18302 55 1 1 . 1 1 11 11 GLU C C 11 180.542 180.542 178.525 2.017 18302 56 1 1 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.296 0.058 18302 57 1 1 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.603 -0.369 18302 58 1 1 . 1 1 11 11 GLU H H 11 7.795 7.795 8.592 -0.797 18302 59 1 1 . 1 1 12 12 PHE N N 12 120.654 120.654 120.940 -0.286 18302 60 1 1 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.668 0.382 18302 61 1 1 . 1 1 12 12 PHE C C 12 179.155 179.155 177.684 1.471 18302 62 1 1 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.441 -1.681 18302 63 1 1 . 1 1 12 12 PHE CB C 12 37.000 37.000 39.048 -2.048 18302 64 1 1 . 1 1 12 12 PHE H H 12 8.541 8.541 8.525 0.016 18302 65 1 1 . 1 1 13 13 LYS N N 13 123.600 123.600 119.967 3.633 18302 66 1 1 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.229 0.764 18302 67 1 1 . 1 1 13 13 LYS C C 13 179.523 179.523 178.614 0.909 18302 68 1 1 . 1 1 13 13 LYS CA C 13 59.940 59.940 58.879 1.061 18302 69 1 1 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.528 0.205 18302 70 1 1 . 1 1 13 13 LYS H H 13 9.279 9.279 7.627 1.652 18302 71 1 1 . 1 1 14 14 GLU N N 14 121.150 121.150 119.073 2.077 18302 72 1 1 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.890 0.231 18302 73 1 1 . 1 1 14 14 GLU C C 14 179.859 179.859 178.794 1.065 18302 74 1 1 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.365 -0.011 18302 75 1 1 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.412 0.321 18302 76 1 1 . 1 1 14 14 GLU H H 14 8.036 8.036 8.146 -0.110 18302 77 1 1 . 1 1 15 15 ALA N N 15 122.010 122.010 121.681 0.329 18302 78 1 1 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.877 0.472 18302 79 1 1 . 1 1 15 15 ALA C C 15 178.785 178.785 179.293 -0.508 18302 80 1 1 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.963 0.289 18302 81 1 1 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.420 -0.420 18302 82 1 1 . 1 1 15 15 ALA H H 15 8.034 8.034 8.035 -0.001 18302 83 1 1 . 1 1 16 16 PHE N N 16 119.032 119.032 118.795 0.237 18302 84 1 1 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.885 -0.585 18302 85 1 1 . 1 1 16 16 PHE C C 16 178.534 178.534 177.104 1.430 18302 86 1 1 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.942 2.058 18302 87 1 1 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.753 1.247 18302 88 1 1 . 1 1 16 16 PHE H H 16 8.633 8.633 8.322 0.311 18302 89 1 1 . 1 1 17 17 SER N N 17 113.786 113.786 114.258 -0.472 18302 90 1 1 . 1 1 17 17 SER HA H 17 4.100 4.100 3.272 0.828 18302 91 1 1 . 1 1 17 17 SER C C 17 174.639 174.639 175.870 -1.231 18302 92 1 1 . 1 1 17 17 SER CA C 17 61.500 61.500 61.207 0.293 18302 93 1 1 . 1 1 17 17 SER CB C 17 63.500 63.500 63.006 0.494 18302 94 1 1 . 1 1 17 17 SER H H 17 8.215 8.215 7.951 0.264 18302 95 1 1 . 1 1 18 18 LEU N N 18 120.113 120.113 119.969 0.144 18302 96 1 1 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.773 0.107 18302 97 1 1 . 1 1 18 18 LEU C C 18 177.151 177.151 178.616 -1.465 18302 98 1 1 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.367 -0.867 18302 99 1 1 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.599 -0.099 18302 100 1 1 . 1 1 18 18 LEU H H 18 7.417 7.417 7.295 0.122 18302 101 1 1 . 1 1 19 19 PHE N N 19 112.070 112.070 117.816 -5.746 18302 102 1 1 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.159 0.241 18302 103 1 1 . 1 1 19 19 PHE C C 19 175.699 175.699 176.914 -1.215 18302 104 1 1 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.789 -1.389 18302 105 1 1 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.745 3.155 18302 106 1 1 . 1 1 19 19 PHE H H 19 7.043 7.043 7.465 -0.422 18302 107 1 1 . 1 1 20 20 ASP N N 20 116.223 116.223 119.356 -3.133 18302 108 1 1 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.729 -0.129 18302 109 1 1 . 1 1 20 20 ASP C C 20 177.625 177.625 177.287 0.338 18302 110 1 1 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.152 -1.830 18302 111 1 1 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.451 -0.021 18302 112 1 1 . 1 1 20 20 ASP H H 20 7.484 7.484 7.825 -0.341 18302 113 1 1 . 1 1 21 21 LYS N N 21 124.544 124.544 122.910 1.634 18302 114 1 1 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.942 0.058 18302 115 1 1 . 1 1 21 21 LYS C C 21 178.513 178.513 177.806 0.707 18302 116 1 1 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.213 -0.513 18302 117 1 1 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.949 2.251 18302 118 1 1 . 1 1 21 21 LYS H H 21 7.601 7.601 8.551 -0.950 18302 119 1 1 . 1 1 22 22 ASP N N 22 114.320 114.320 114.844 -0.524 18302 120 1 1 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.454 0.180 18302 121 1 1 . 1 1 22 22 ASP C C 22 178.039 178.039 177.162 0.877 18302 122 1 1 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.179 -1.271 18302 123 1 1 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.741 0.275 18302 124 1 1 . 1 1 22 22 ASP H H 22 8.241 8.241 8.306 -0.065 18302 125 1 1 . 1 1 23 23 GLY N N 23 109.478 109.478 108.280 1.198 18302 126 1 1 . 1 1 23 23 GLY C C 23 175.427 175.427 175.231 0.196 18302 127 1 1 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.002 1.046 18302 128 1 1 . 1 1 23 23 GLY H H 23 7.680 7.680 7.648 0.032 18302 129 1 1 . 1 1 24 24 ASP N N 24 121.007 121.007 119.611 1.396 18302 130 1 1 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.604 -0.104 18302 131 1 1 . 1 1 24 24 ASP C C 24 177.660 177.660 177.638 0.022 18302 132 1 1 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.204 0.876 18302 133 1 1 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.432 -0.830 18302 134 1 1 . 1 1 24 24 ASP H H 24 8.523 8.523 8.591 -0.068 18302 135 1 1 . 1 1 25 25 GLY N N 25 112.961 112.961 109.706 3.255 18302 136 1 1 . 1 1 25 25 GLY C C 25 174.198 174.198 173.783 0.415 18302 137 1 1 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.737 -0.447 18302 138 1 1 . 1 1 25 25 GLY H H 25 10.539 10.539 9.429 1.110 18302 139 1 1 . 1 1 26 26 THR N N 26 112.593 112.593 111.190 1.403 18302 140 1 1 . 1 1 26 26 THR HA H 26 5.560 5.560 4.714 0.846 18302 141 1 1 . 1 1 26 26 THR C C 26 173.991 173.991 173.066 0.925 18302 142 1 1 . 1 1 26 26 THR CA C 26 59.500 59.500 59.859 -0.359 18302 143 1 1 . 1 1 26 26 THR CB C 26 73.299 73.299 72.393 0.906 18302 144 1 1 . 1 1 26 26 THR H H 26 8.304 8.304 8.602 -0.298 18302 145 1 1 . 1 1 27 27 ILE N N 27 126.868 126.868 122.061 4.807 18302 146 1 1 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.940 -0.190 18302 147 1 1 . 1 1 27 27 ILE C C 27 176.338 176.338 175.913 0.425 18302 148 1 1 . 1 1 27 27 ILE CA C 27 61.112 61.112 59.887 1.225 18302 149 1 1 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.837 -0.836 18302 150 1 1 . 1 1 27 27 ILE H H 27 9.988 9.988 8.208 1.780 18302 151 1 1 . 1 1 28 28 THR N N 28 116.237 116.237 119.855 -3.618 18302 152 1 1 . 1 1 28 28 THR HA H 28 4.850 4.850 4.976 -0.126 18302 153 1 1 . 1 1 28 28 THR C C 28 176.422 176.422 175.892 0.530 18302 154 1 1 . 1 1 28 28 THR CA C 28 59.000 59.000 60.215 -1.215 18302 155 1 1 . 1 1 28 28 THR CB C 28 72.713 72.713 72.093 0.620 18302 156 1 1 . 1 1 28 28 THR H H 28 8.233 8.233 8.166 0.067 18302 157 1 1 . 1 1 29 29 THR N N 29 114.660 114.660 117.540 -2.880 18302 158 1 1 . 1 1 29 29 THR HA H 29 3.800 3.800 3.871 -0.071 18302 159 1 1 . 1 1 29 29 THR C C 29 177.772 177.772 176.353 1.419 18302 160 1 1 . 1 1 29 29 THR CA C 29 66.767 66.767 67.014 -0.248 18302 161 1 1 . 1 1 29 29 THR CB C 29 68.611 68.611 68.586 0.025 18302 162 1 1 . 1 1 29 29 THR H H 29 9.316 9.316 8.889 0.427 18302 163 1 1 . 1 1 30 30 LYS N N 30 121.300 121.300 121.820 -0.520 18302 164 1 1 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.027 0.101 18302 165 1 1 . 1 1 30 30 LYS C C 30 180.194 180.194 178.789 1.405 18302 166 1 1 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.030 -0.676 18302 167 1 1 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.792 0.372 18302 168 1 1 . 1 1 30 30 LYS H H 30 7.900 7.900 8.529 -0.629 18302 169 1 1 . 1 1 31 31 GLU N N 31 122.184 122.184 119.677 2.507 18302 170 1 1 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.014 -0.014 18302 171 1 1 . 1 1 31 31 GLU C C 31 178.964 178.964 178.815 0.149 18302 172 1 1 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.411 0.528 18302 173 1 1 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.408 0.412 18302 174 1 1 . 1 1 31 31 GLU H H 31 7.900 7.900 7.926 -0.026 18302 175 1 1 . 1 1 32 32 LEU N N 32 120.000 120.000 120.570 -0.570 18302 176 1 1 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.182 -0.032 18302 177 1 1 . 1 1 32 32 LEU C C 32 179.190 179.190 178.790 0.400 18302 178 1 1 . 1 1 32 32 LEU CA C 32 58.182 58.182 57.990 0.192 18302 179 1 1 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.613 0.747 18302 180 1 1 . 1 1 32 32 LEU H H 32 8.600 8.600 8.389 0.211 18302 181 1 1 . 1 1 33 33 GLY N N 33 105.412 105.412 106.042 -0.630 18302 182 1 1 . 1 1 33 33 GLY C C 33 175.371 175.371 175.961 -0.590 18302 183 1 1 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.864 0.942 18302 184 1 1 . 1 1 33 33 GLY H H 33 8.730 8.730 8.792 -0.062 18302 185 1 1 . 1 1 34 34 THR N N 34 118.762 118.762 119.317 -0.555 18302 186 1 1 . 1 1 34 34 THR HA H 34 3.950 3.950 4.009 -0.059 18302 187 1 1 . 1 1 34 34 THR C C 34 177.681 177.681 176.542 1.139 18302 188 1 1 . 1 1 34 34 THR CA C 34 66.767 66.767 67.597 -0.830 18302 189 1 1 . 1 1 34 34 THR CB C 34 69.197 69.197 68.489 0.708 18302 190 1 1 . 1 1 34 34 THR H H 34 8.104 8.104 8.117 -0.013 18302 191 1 1 . 1 1 35 35 VAL N N 35 122.943 122.943 121.861 1.082 18302 192 1 1 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.694 -0.024 18302 193 1 1 . 1 1 35 35 VAL C C 35 179.691 179.691 177.915 1.776 18302 194 1 1 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.802 -0.235 18302 195 1 1 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.422 0.411 18302 196 1 1 . 1 1 35 35 VAL H H 35 8.230 8.230 7.658 0.572 18302 197 1 1 . 1 1 36 36 MET N N 36 118.074 118.074 118.417 -0.343 18302 198 1 1 . 1 1 36 36 MET HA H 36 4.124 4.124 4.118 0.006 18302 199 1 1 . 1 1 36 36 MET C C 36 179.518 179.518 178.392 1.126 18302 200 1 1 . 1 1 36 36 MET CA C 36 58.400 58.400 59.614 -1.214 18302 201 1 1 . 1 1 36 36 MET CB C 36 31.233 31.233 32.416 -1.183 18302 202 1 1 . 1 1 36 36 MET H H 36 8.746 8.746 8.484 0.262 18302 203 1 1 . 1 1 37 37 ARG N N 37 118.931 118.931 120.466 -1.535 18302 204 1 1 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.119 0.731 18302 205 1 1 . 1 1 37 37 ARG C C 37 181.608 181.608 179.481 2.127 18302 206 1 1 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.482 -0.128 18302 207 1 1 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.348 -0.528 18302 208 1 1 . 1 1 37 37 ARG H H 37 8.559 8.559 8.362 0.197 18302 209 1 1 . 1 1 38 38 SER N N 38 119.164 119.164 116.274 2.890 18302 210 1 1 . 1 1 38 38 SER HA H 38 4.445 4.445 4.246 0.199 18302 211 1 1 . 1 1 38 38 SER C C 38 175.212 175.212 176.176 -0.964 18302 212 1 1 . 1 1 38 38 SER CA C 38 61.698 61.698 61.337 0.361 18302 213 1 1 . 1 1 38 38 SER CB C 38 62.733 62.733 62.949 -0.216 18302 214 1 1 . 1 1 38 38 SER H H 38 8.075 8.075 8.332 -0.257 18302 215 1 1 . 1 1 39 39 LEU N N 39 120.667 120.667 119.488 1.179 18302 216 1 1 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.286 -0.056 18302 217 1 1 . 1 1 39 39 LEU C C 39 177.740 177.740 177.264 0.476 18302 218 1 1 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.522 -1.219 18302 219 1 1 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.595 -0.821 18302 220 1 1 . 1 1 39 39 LEU H H 39 7.419 7.419 7.600 -0.181 18302 221 1 1 . 1 1 40 40 GLY N N 40 107.175 107.175 106.325 0.850 18302 222 1 1 . 1 1 40 40 GLY C C 40 174.723 174.723 174.232 0.491 18302 223 1 1 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.875 0.625 18302 224 1 1 . 1 1 40 40 GLY H H 40 7.900 7.900 8.022 -0.122 18302 225 1 1 . 1 1 41 41 GLN N N 41 117.918 117.918 118.961 -1.043 18302 226 1 1 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.527 -0.397 18302 227 1 1 . 1 1 41 41 GLN C C 41 174.428 174.428 174.604 -0.176 18302 228 1 1 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.383 0.617 18302 229 1 1 . 1 1 41 41 GLN CB C 41 29.820 29.820 31.007 -1.187 18302 230 1 1 . 1 1 41 41 GLN H H 41 7.746 7.746 7.783 -0.037 18302 231 1 1 . 1 1 42 42 ASN N N 42 119.000 119.000 118.148 0.852 18302 232 1 1 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.546 0.054 18302 233 1 1 . 1 1 42 42 ASN H H 42 8.250 8.250 8.644 -0.394 18302 234 1 1 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.398 0.802 18302 235 1 1 . 1 1 43 43 PRO C C 43 177.909 177.909 177.008 0.901 18302 236 1 1 . 1 1 43 43 PRO CA C 43 62.284 62.284 62.739 -0.455 18302 237 1 1 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.658 0.075 18302 238 1 1 . 1 1 44 44 THR N N 44 113.390 113.390 116.376 -2.986 18302 239 1 1 . 1 1 44 44 THR HA H 44 4.450 4.450 4.170 0.280 18302 240 1 1 . 1 1 44 44 THR C C 44 175.483 175.483 175.282 0.201 18302 241 1 1 . 1 1 44 44 THR CA C 44 60.526 60.526 62.251 -1.725 18302 242 1 1 . 1 1 44 44 THR CB C 44 71.541 71.541 67.554 3.987 18302 243 1 1 . 1 1 44 44 THR H H 44 8.982 8.982 7.995 0.987 18302 244 1 1 . 1 1 45 45 GLU N N 45 120.632 120.632 127.669 -7.037 18302 245 1 1 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.928 0.022 18302 246 1 1 . 1 1 45 45 GLU C C 45 179.348 179.348 177.353 1.995 18302 247 1 1 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.130 -0.130 18302 248 1 1 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.531 0.202 18302 249 1 1 . 1 1 45 45 GLU H H 45 8.854 8.854 8.898 -0.044 18302 250 1 1 . 1 1 46 46 THR N N 46 121.035 121.035 121.876 -0.841 18302 251 1 1 . 1 1 46 46 THR HA H 46 4.121 4.121 4.508 -0.387 18302 252 1 1 . 1 1 46 46 THR C C 46 175.463 175.463 176.745 -1.282 18302 253 1 1 . 1 1 46 46 THR CA C 46 62.324 62.324 64.448 -2.124 18302 254 1 1 . 1 1 46 46 THR CB C 46 70.088 70.088 68.315 1.773 18302 255 1 1 . 1 1 46 46 THR H H 46 8.295 8.295 7.939 0.356 18302 256 1 1 . 1 1 47 47 GLY N N 47 111.232 111.232 108.681 2.551 18302 257 1 1 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.049 -0.112 18302 258 1 1 . 1 1 47 47 GLY C C 47 174.998 174.998 177.053 -2.055 18302 259 1 1 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.841 -1.920 18302 260 1 1 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.333 0.487 18302 261 1 1 . 1 1 47 47 GLY H H 47 8.720 8.720 7.511 1.209 18302 262 1 1 . 1 1 48 48 ALA N N 48 124.417 124.417 121.209 3.208 18302 263 1 1 . 1 1 48 48 ALA HA H 48 4.282 4.282 4.006 0.276 18302 264 1 1 . 1 1 48 48 ALA C C 48 177.866 177.866 179.816 -1.950 18302 265 1 1 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.418 -1.593 18302 266 1 1 . 1 1 48 48 ALA CB C 48 19.387 19.387 17.919 1.468 18302 267 1 1 . 1 1 48 48 ALA H H 48 8.365 8.365 7.482 0.883 18302 268 1 1 . 1 1 49 49 ALA N N 49 122.129 122.129 121.321 0.808 18302 269 1 1 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.899 0.347 18302 270 1 1 . 1 1 49 49 ALA C C 49 178.647 178.647 180.239 -1.592 18302 271 1 1 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.604 -2.433 18302 272 1 1 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.546 -2.397 18302 273 1 1 . 1 1 49 49 ALA H H 49 8.318 8.318 7.794 0.524 18302 274 1 1 . 1 1 50 50 LEU N N 50 120.817 120.817 120.074 0.743 18302 275 1 1 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.177 -0.052 18302 276 1 1 . 1 1 50 50 LEU C C 50 177.367 177.367 178.749 -1.382 18302 277 1 1 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.366 -1.640 18302 278 1 1 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.122 -0.022 18302 279 1 1 . 1 1 50 50 LEU H H 50 8.126 8.126 7.651 0.475 18302 280 1 1 . 1 1 51 51 SER N N 51 116.273 116.273 114.828 1.445 18302 281 1 1 . 1 1 51 51 SER HA H 51 4.057 4.057 4.112 -0.055 18302 282 1 1 . 1 1 51 51 SER C C 51 175.939 175.939 176.701 -0.762 18302 283 1 1 . 1 1 51 51 SER CA C 51 61.429 61.429 60.235 1.194 18302 284 1 1 . 1 1 51 51 SER CB C 51 28.648 28.648 32.327 -3.679 18302 285 1 1 . 1 1 51 51 SER H H 51 7.917 7.917 7.906 0.011 18302 286 1 1 . 1 1 52 52 TRP N N 52 123.132 123.132 120.976 2.156 18302 287 1 1 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.027 0.570 18302 288 1 1 . 1 1 52 52 TRP C C 52 178.377 178.377 178.165 0.212 18302 289 1 1 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.804 -0.139 18302 290 1 1 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.030 0.358 18302 291 1 1 . 1 1 52 52 TRP H H 52 8.732 8.732 8.958 -0.226 18302 292 1 1 . 1 1 53 53 GLN N N 53 117.115 117.115 116.628 0.487 18302 293 1 1 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.200 -0.231 18302 294 1 1 . 1 1 53 53 GLN C C 53 177.779 177.779 176.908 0.871 18302 295 1 1 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.257 1.075 18302 296 1 1 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.052 0.098 18302 297 1 1 . 1 1 53 53 GLN H H 53 8.480 8.480 7.825 0.655 18302 298 1 1 . 1 1 54 54 ALA N N 54 120.557 120.557 120.547 0.010 18302 299 1 1 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.288 -0.020 18302 300 1 1 . 1 1 54 54 ALA C C 54 181.023 181.023 179.024 1.999 18302 301 1 1 . 1 1 54 54 ALA CA C 54 54.640 54.640 53.209 1.431 18302 302 1 1 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.912 -1.303 18302 303 1 1 . 1 1 54 54 ALA H H 54 8.003 8.003 7.405 0.598 18302 304 1 1 . 1 1 55 55 ALA N N 55 122.442 122.442 117.405 5.037 18302 305 1 1 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.075 0.042 18302 306 1 1 . 1 1 55 55 ALA C C 55 179.069 179.069 177.764 1.305 18302 307 1 1 . 1 1 55 55 ALA CA C 55 55.478 55.478 52.864 2.614 18302 308 1 1 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.800 -0.565 18302 309 1 1 . 1 1 55 55 ALA H H 55 8.283 8.283 7.539 0.744 18302 310 1 1 . 1 1 56 56 ILE N N 56 119.035 119.035 119.678 -0.643 18302 311 1 1 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.836 -0.025 18302 312 1 1 . 1 1 56 56 ILE C C 56 177.968 177.968 176.335 1.633 18302 313 1 1 . 1 1 56 56 ILE CA C 56 65.950 65.950 61.442 4.508 18302 314 1 1 . 1 1 56 56 ILE CB C 56 38.315 38.315 36.913 1.402 18302 315 1 1 . 1 1 56 56 ILE H H 56 8.682 8.682 7.724 0.958 18302 316 1 1 . 1 1 57 57 ASP N N 57 119.160 119.160 126.383 -7.223 18302 317 1 1 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.357 0.043 18302 318 1 1 . 1 1 57 57 ASP C C 57 179.117 179.117 177.453 1.664 18302 319 1 1 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.510 -2.820 18302 320 1 1 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.962 -0.322 18302 321 1 1 . 1 1 57 57 ASP H H 57 8.393 8.393 8.672 -0.279 18302 322 1 1 . 1 1 58 58 ALA N N 58 122.077 122.077 120.757 1.320 18302 323 1 1 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.244 0.256 18302 324 1 1 . 1 1 58 58 ALA C C 58 180.605 180.605 178.625 1.980 18302 325 1 1 . 1 1 58 58 ALA CA C 58 54.968 54.968 52.543 2.425 18302 326 1 1 . 1 1 58 58 ALA CB C 58 18.534 18.534 18.982 -0.448 18302 327 1 1 . 1 1 58 58 ALA H H 58 8.153 8.153 8.189 -0.036 18302 328 1 1 . 1 1 59 59 ALA N N 59 123.120 123.120 120.325 2.795 18302 329 1 1 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.861 0.185 18302 330 1 1 . 1 1 59 59 ALA C C 59 180.385 180.385 177.606 2.779 18302 331 1 1 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.425 2.504 18302 332 1 1 . 1 1 59 59 ALA H H 59 8.807 8.807 8.130 0.677 18302 333 1 1 . 1 1 60 60 ARG N N 60 119.705 119.705 120.396 -0.691 18302 334 1 1 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.265 -0.277 18302 335 1 1 . 1 1 60 60 ARG C C 60 179.348 179.348 176.744 2.604 18302 336 1 1 . 1 1 60 60 ARG CA C 60 59.608 59.608 55.263 4.345 18302 337 1 1 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.105 0.190 18302 338 1 1 . 1 1 60 60 ARG H H 60 8.674 8.674 8.303 0.371 18302 339 1 1 . 1 1 61 61 GLN N N 61 119.132 119.132 117.123 2.009 18302 340 1 1 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.064 0.032 18302 341 1 1 . 1 1 61 61 GLN C C 61 177.615 177.615 174.145 3.470 18302 342 1 1 . 1 1 61 61 GLN CA C 61 58.230 58.230 56.170 2.060 18302 343 1 1 . 1 1 61 61 GLN H H 61 8.053 8.053 8.481 -0.428 18302 344 1 1 . 1 1 62 62 ALA N N 62 120.910 120.910 117.802 3.108 18302 345 1 1 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.073 -0.896 18302 346 1 1 . 1 1 62 62 ALA C C 62 179.311 179.311 175.868 3.443 18302 347 1 1 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.097 4.850 18302 348 1 1 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.502 -3.966 18302 349 1 1 . 1 1 62 62 ALA H H 62 7.920 7.920 7.218 0.702 18302 350 1 1 . 1 1 63 63 LYS N N 63 117.863 117.863 122.353 -4.490 18302 351 1 1 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.972 -0.816 18302 352 1 1 . 1 1 63 63 LYS C C 63 178.324 178.324 176.063 2.261 18302 353 1 1 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.164 4.723 18302 354 1 1 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.478 -0.699 18302 355 1 1 . 1 1 63 63 LYS H H 63 7.680 7.680 8.517 -0.837 18302 356 1 1 . 1 1 64 64 LEU N N 64 119.697 119.697 128.556 -8.859 18302 357 1 1 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.182 0.011 18302 358 1 1 . 1 1 64 64 LEU C C 64 178.459 178.459 178.397 0.062 18302 359 1 1 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.233 2.210 18302 360 1 1 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.201 -1.040 18302 361 1 1 . 1 1 64 64 LEU H H 64 7.895 7.895 7.888 0.007 18302 362 1 1 . 1 1 65 65 MET N N 65 117.184 117.184 118.086 -0.902 18302 363 1 1 . 1 1 65 65 MET HA H 65 4.472 4.472 4.252 0.220 18302 364 1 1 . 1 1 65 65 MET C C 65 177.053 177.053 176.183 0.870 18302 365 1 1 . 1 1 65 65 MET CA C 65 55.889 55.889 60.724 -4.835 18302 366 1 1 . 1 1 65 65 MET CB C 65 33.010 33.010 29.443 3.567 18302 367 1 1 . 1 1 65 65 MET H H 65 7.958 7.958 8.020 -0.062 18302 368 1 1 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.082 -0.232 18302 369 1 1 . 1 1 66 66 GLY C C 66 174.137 174.137 176.102 -1.965 18302 370 1 1 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.986 -2.396 18302 371 1 1 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.136 -0.303 18302 372 1 1 . 1 1 67 67 SER N N 67 115.622 115.622 113.926 1.696 18302 373 1 1 . 1 1 67 67 SER HA H 67 4.472 4.472 4.119 0.353 18302 374 1 1 . 1 1 67 67 SER C C 67 173.300 173.300 176.895 -3.595 18302 375 1 1 . 1 1 67 67 SER CA C 67 58.182 58.182 61.390 -3.208 18302 376 1 1 . 1 1 67 67 SER CB C 67 64.389 64.389 62.637 1.752 18302 377 1 1 . 1 1 67 67 SER H H 67 8.127 8.127 8.287 -0.160 18302 378 1 1 . 1 1 68 68 ALA N N 68 131.351 131.351 123.212 8.139 18302 379 1 1 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.962 0.238 18302 380 1 1 . 1 1 68 68 ALA C C 68 176.792 176.792 177.449 -0.657 18302 381 1 1 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.419 -1.302 18302 382 1 1 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.429 0.819 18302 383 1 1 . 1 1 68 68 ALA H H 68 7.984 7.984 7.638 0.346 18302 384 1 1 . 1 1 69 69 LEU N N 69 119.986 119.986 118.405 1.581 18302 385 1 1 . 1 1 69 69 LEU HA H 69 3.350 3.350 4.166 -0.816 18302 386 1 1 . 1 1 69 69 LEU C C 69 178.468 178.468 177.886 0.582 18302 387 1 1 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.358 0.561 18302 388 1 1 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.715 -0.715 18302 389 1 1 . 1 1 69 69 LEU H H 69 9.062 9.062 7.851 1.211 18302 390 1 1 . 1 1 70 70 THR N N 70 114.834 114.834 114.645 0.189 18302 391 1 1 . 1 1 70 70 THR HA H 70 4.100 4.100 4.107 -0.008 18302 392 1 1 . 1 1 70 70 THR C C 70 176.391 176.391 176.775 -0.384 18302 393 1 1 . 1 1 70 70 THR CA C 70 61.833 61.833 65.507 -3.674 18302 394 1 1 . 1 1 70 70 THR CB C 70 68.267 68.267 69.179 -0.912 18302 395 1 1 . 1 1 70 70 THR H H 70 7.710 7.710 7.767 -0.057 18302 396 1 1 . 1 1 71 71 MET N N 71 120.233 120.233 121.198 -0.965 18302 397 1 1 . 1 1 71 71 MET HA H 71 3.850 3.850 4.047 -0.197 18302 398 1 1 . 1 1 71 71 MET C C 71 178.145 178.145 177.224 0.921 18302 399 1 1 . 1 1 71 71 MET CA C 71 58.768 58.768 58.579 0.189 18302 400 1 1 . 1 1 71 71 MET CB C 71 31.233 31.233 32.136 -0.903 18302 401 1 1 . 1 1 71 71 MET H H 71 7.034 7.034 8.403 -1.369 18302 402 1 1 . 1 1 72 72 MET N N 72 118.621 118.621 113.709 4.912 18302 403 1 1 . 1 1 72 72 MET HA H 72 3.800 3.800 4.467 -0.667 18302 404 1 1 . 1 1 72 72 MET C C 72 178.930 178.930 176.738 2.192 18302 405 1 1 . 1 1 72 72 MET CA C 72 56.500 56.500 56.994 -0.494 18302 406 1 1 . 1 1 72 72 MET CB C 72 32.733 32.733 33.064 -0.331 18302 407 1 1 . 1 1 72 72 MET H H 72 7.839 7.839 7.498 0.341 18302 408 1 1 . 1 1 73 73 ALA N N 73 120.567 120.567 121.758 -1.191 18302 409 1 1 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.370 -0.235 18302 410 1 1 . 1 1 73 73 ALA C C 73 179.332 179.332 178.401 0.931 18302 411 1 1 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.124 1.956 18302 412 1 1 . 1 1 73 73 ALA CB C 73 18.453 18.453 19.087 -0.634 18302 413 1 1 . 1 1 73 73 ALA H H 73 8.240 8.240 8.091 0.149 18302 414 1 1 . 1 1 74 74 ARG N N 74 116.784 116.784 118.871 -2.087 18302 415 1 1 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.030 0.107 18302 416 1 1 . 1 1 74 74 ARG C C 74 177.511 177.511 177.087 0.424 18302 417 1 1 . 1 1 74 74 ARG CA C 74 57.596 57.596 58.402 -0.806 18302 418 1 1 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.482 -0.076 18302 419 1 1 . 1 1 74 74 ARG H H 74 7.382 7.382 8.081 -0.699 18302 420 1 1 . 1 1 75 75 LYS N N 75 118.548 118.548 116.747 1.801 18302 421 1 1 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.360 -0.054 18302 422 1 1 . 1 1 75 75 LYS C C 75 176.937 176.937 175.301 1.636 18302 423 1 1 . 1 1 75 75 LYS CA C 75 55.000 55.000 55.256 -0.256 18302 424 1 1 . 1 1 75 75 LYS CB C 75 32.750 32.750 34.776 -2.026 18302 425 1 1 . 1 1 75 75 LYS H H 75 7.732 7.732 7.888 -0.156 18302 426 1 1 . 1 1 76 76 MET N N 76 120.367 120.367 120.719 -0.352 18302 427 1 1 . 1 1 76 76 MET HA H 76 4.443 4.443 4.198 0.245 18302 428 1 1 . 1 1 76 76 MET C C 76 175.539 175.539 175.167 0.372 18302 429 1 1 . 1 1 76 76 MET CA C 76 55.500 55.500 55.502 -0.002 18302 430 1 1 . 1 1 76 76 MET CB C 76 32.733 32.733 31.320 1.413 18302 431 1 1 . 1 1 76 76 MET H H 76 7.863 7.863 8.457 -0.594 18302 432 1 2 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.350 0.266 18302 433 1 2 . 1 1 2 2 ASP C C 2 175.975 175.975 175.655 0.320 18302 434 1 2 . 1 1 2 2 ASP CA C 2 54.666 54.666 55.909 -1.243 18302 435 1 2 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.463 0.725 18302 436 1 2 . 1 1 3 3 GLN N N 3 119.995 119.995 120.853 -0.858 18302 437 1 2 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.460 -0.077 18302 438 1 2 . 1 1 3 3 GLN C C 3 175.927 175.927 175.746 0.181 18302 439 1 2 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.504 -2.851 18302 440 1 2 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.075 0.159 18302 441 1 2 . 1 1 3 3 GLN H H 3 8.414 8.414 8.369 0.045 18302 442 1 2 . 1 1 4 4 LEU N N 4 123.586 123.586 123.576 0.010 18302 443 1 2 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.023 0.647 18302 444 1 2 . 1 1 4 4 LEU C C 4 177.983 177.983 175.136 2.847 18302 445 1 2 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.312 -1.646 18302 446 1 2 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.299 1.233 18302 447 1 2 . 1 1 4 4 LEU H H 4 8.352 8.352 8.427 -0.075 18302 448 1 2 . 1 1 5 5 THR N N 5 113.292 113.292 110.558 2.734 18302 449 1 2 . 1 1 5 5 THR HA H 5 4.470 4.470 4.495 -0.025 18302 450 1 2 . 1 1 5 5 THR C C 5 175.729 175.729 174.311 1.418 18302 451 1 2 . 1 1 5 5 THR CA C 5 60.526 60.526 61.500 -0.974 18302 452 1 2 . 1 1 5 5 THR CB C 5 71.541 71.541 70.150 1.391 18302 453 1 2 . 1 1 5 5 THR H H 5 8.735 8.735 7.982 0.753 18302 454 1 2 . 1 1 6 6 GLU N N 6 120.507 120.507 122.311 -1.804 18302 455 1 2 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.966 0.025 18302 456 1 2 . 1 1 6 6 GLU C C 6 179.816 179.816 178.122 1.694 18302 457 1 2 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.563 -0.623 18302 458 1 2 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.643 -0.409 18302 459 1 2 . 1 1 6 6 GLU H H 6 9.060 9.060 8.743 0.317 18302 460 1 2 . 1 1 7 7 GLU N N 7 120.000 120.000 118.403 1.597 18302 461 1 2 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.978 0.107 18302 462 1 2 . 1 1 7 7 GLU C C 7 179.588 179.588 178.827 0.761 18302 463 1 2 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.640 0.300 18302 464 1 2 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.596 0.237 18302 465 1 2 . 1 1 7 7 GLU H H 7 8.770 8.770 8.729 0.041 18302 466 1 2 . 1 1 8 8 GLN N N 8 120.798 120.798 118.548 2.250 18302 467 1 2 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.117 -0.287 18302 468 1 2 . 1 1 8 8 GLN C C 8 178.179 178.179 178.956 -0.777 18302 469 1 2 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.916 -0.596 18302 470 1 2 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.227 1.006 18302 471 1 2 . 1 1 8 8 GLN H H 8 7.755 7.755 8.379 -0.624 18302 472 1 2 . 1 1 9 9 ILE N N 9 119.028 119.028 116.413 2.615 18302 473 1 2 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.860 -0.260 18302 474 1 2 . 1 1 9 9 ILE C C 9 178.147 178.147 178.152 -0.005 18302 475 1 2 . 1 1 9 9 ILE CA C 9 66.620 66.620 65.091 1.529 18302 476 1 2 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.087 0.566 18302 477 1 2 . 1 1 9 9 ILE H H 9 8.253 8.253 7.455 0.798 18302 478 1 2 . 1 1 10 10 ALA N N 10 120.587 120.587 122.589 -2.002 18302 479 1 2 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.883 0.257 18302 480 1 2 . 1 1 10 10 ALA C C 10 181.279 181.279 179.422 1.857 18302 481 1 2 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.201 0.051 18302 482 1 2 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.834 -0.334 18302 483 1 2 . 1 1 10 10 ALA H H 10 8.051 8.051 7.995 0.056 18302 484 1 2 . 1 1 11 11 GLU N N 11 120.436 120.436 120.063 0.373 18302 485 1 2 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.012 0.183 18302 486 1 2 . 1 1 11 11 GLU C C 11 180.542 180.542 178.584 1.958 18302 487 1 2 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.435 -0.082 18302 488 1 2 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.793 -0.559 18302 489 1 2 . 1 1 11 11 GLU H H 11 7.795 7.795 8.467 -0.672 18302 490 1 2 . 1 1 12 12 PHE N N 12 120.654 120.654 120.595 0.059 18302 491 1 2 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.461 0.589 18302 492 1 2 . 1 1 12 12 PHE C C 12 179.155 179.155 177.360 1.795 18302 493 1 2 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.408 -1.648 18302 494 1 2 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.904 -1.904 18302 495 1 2 . 1 1 12 12 PHE H H 12 8.541 8.541 8.525 0.016 18302 496 1 2 . 1 1 13 13 LYS N N 13 123.600 123.600 119.885 3.715 18302 497 1 2 . 1 1 13 13 LYS HA H 13 3.993 3.993 2.974 1.019 18302 498 1 2 . 1 1 13 13 LYS C C 13 179.523 179.523 178.575 0.948 18302 499 1 2 . 1 1 13 13 LYS CA C 13 59.940 59.940 58.986 0.954 18302 500 1 2 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.626 0.107 18302 501 1 2 . 1 1 13 13 LYS H H 13 9.279 9.279 7.443 1.836 18302 502 1 2 . 1 1 14 14 GLU N N 14 121.150 121.150 118.654 2.496 18302 503 1 2 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.892 0.229 18302 504 1 2 . 1 1 14 14 GLU C C 14 179.859 179.859 178.749 1.110 18302 505 1 2 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.066 0.288 18302 506 1 2 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.199 0.534 18302 507 1 2 . 1 1 14 14 GLU H H 14 8.036 8.036 8.092 -0.056 18302 508 1 2 . 1 1 15 15 ALA N N 15 122.010 122.010 121.812 0.198 18302 509 1 2 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.810 0.539 18302 510 1 2 . 1 1 15 15 ALA C C 15 178.785 178.785 179.368 -0.583 18302 511 1 2 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.861 0.390 18302 512 1 2 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.282 -0.282 18302 513 1 2 . 1 1 15 15 ALA H H 15 8.034 8.034 8.059 -0.025 18302 514 1 2 . 1 1 16 16 PHE N N 16 119.032 119.032 118.677 0.355 18302 515 1 2 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.882 -0.582 18302 516 1 2 . 1 1 16 16 PHE C C 16 178.534 178.534 176.949 1.585 18302 517 1 2 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.504 2.496 18302 518 1 2 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.399 1.601 18302 519 1 2 . 1 1 16 16 PHE H H 16 8.633 8.633 8.200 0.433 18302 520 1 2 . 1 1 17 17 SER N N 17 113.786 113.786 114.820 -1.034 18302 521 1 2 . 1 1 17 17 SER HA H 17 4.100 4.100 3.084 1.016 18302 522 1 2 . 1 1 17 17 SER C C 17 174.639 174.639 175.895 -1.256 18302 523 1 2 . 1 1 17 17 SER CA C 17 61.500 61.500 61.043 0.457 18302 524 1 2 . 1 1 17 17 SER CB C 17 63.500 63.500 62.828 0.672 18302 525 1 2 . 1 1 17 17 SER H H 17 8.215 8.215 7.559 0.656 18302 526 1 2 . 1 1 18 18 LEU N N 18 120.113 120.113 119.992 0.121 18302 527 1 2 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.793 0.087 18302 528 1 2 . 1 1 18 18 LEU C C 18 177.151 177.151 178.417 -1.266 18302 529 1 2 . 1 1 18 18 LEU CA C 18 56.500 56.500 56.952 -0.452 18302 530 1 2 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.731 -0.231 18302 531 1 2 . 1 1 18 18 LEU H H 18 7.417 7.417 7.109 0.308 18302 532 1 2 . 1 1 19 19 PHE N N 19 112.070 112.070 115.961 -3.891 18302 533 1 2 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.195 0.205 18302 534 1 2 . 1 1 19 19 PHE C C 19 175.699 175.699 176.607 -0.908 18302 535 1 2 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.213 -0.813 18302 536 1 2 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.991 2.909 18302 537 1 2 . 1 1 19 19 PHE H H 19 7.043 7.043 7.127 -0.084 18302 538 1 2 . 1 1 20 20 ASP N N 20 116.223 116.223 119.553 -3.330 18302 539 1 2 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.709 -0.109 18302 540 1 2 . 1 1 20 20 ASP C C 20 177.625 177.625 177.398 0.227 18302 541 1 2 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.544 -2.222 18302 542 1 2 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.864 -0.434 18302 543 1 2 . 1 1 20 20 ASP H H 20 7.484 7.484 7.922 -0.438 18302 544 1 2 . 1 1 21 21 LYS N N 21 124.544 124.544 123.631 0.913 18302 545 1 2 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.967 0.033 18302 546 1 2 . 1 1 21 21 LYS C C 21 178.513 178.513 177.741 0.772 18302 547 1 2 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.377 -0.677 18302 548 1 2 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.132 2.068 18302 549 1 2 . 1 1 21 21 LYS H H 21 7.601 7.601 8.440 -0.839 18302 550 1 2 . 1 1 22 22 ASP N N 22 114.320 114.320 114.667 -0.347 18302 551 1 2 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.474 0.160 18302 552 1 2 . 1 1 22 22 ASP C C 22 178.039 178.039 177.242 0.797 18302 553 1 2 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.060 -1.152 18302 554 1 2 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.880 0.136 18302 555 1 2 . 1 1 22 22 ASP H H 22 8.241 8.241 8.344 -0.103 18302 556 1 2 . 1 1 23 23 GLY N N 23 109.478 109.478 108.881 0.597 18302 557 1 2 . 1 1 23 23 GLY C C 23 175.427 175.427 175.030 0.397 18302 558 1 2 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.026 1.022 18302 559 1 2 . 1 1 23 23 GLY H H 23 7.680 7.680 7.724 -0.044 18302 560 1 2 . 1 1 24 24 ASP N N 24 121.007 121.007 120.131 0.876 18302 561 1 2 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.582 -0.082 18302 562 1 2 . 1 1 24 24 ASP C C 24 177.660 177.660 177.749 -0.089 18302 563 1 2 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.130 0.950 18302 564 1 2 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.278 -0.676 18302 565 1 2 . 1 1 24 24 ASP H H 24 8.523 8.523 8.242 0.281 18302 566 1 2 . 1 1 25 25 GLY N N 25 112.961 112.961 109.990 2.971 18302 567 1 2 . 1 1 25 25 GLY C C 25 174.198 174.198 173.648 0.550 18302 568 1 2 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.550 -0.260 18302 569 1 2 . 1 1 25 25 GLY H H 25 10.539 10.539 9.532 1.007 18302 570 1 2 . 1 1 26 26 THR N N 26 112.593 112.593 110.890 1.703 18302 571 1 2 . 1 1 26 26 THR HA H 26 5.560 5.560 5.042 0.518 18302 572 1 2 . 1 1 26 26 THR C C 26 173.991 173.991 173.053 0.938 18302 573 1 2 . 1 1 26 26 THR CA C 26 59.500 59.500 60.067 -0.567 18302 574 1 2 . 1 1 26 26 THR CB C 26 73.299 73.299 72.476 0.823 18302 575 1 2 . 1 1 26 26 THR H H 26 8.304 8.304 8.043 0.261 18302 576 1 2 . 1 1 27 27 ILE N N 27 126.868 126.868 122.135 4.733 18302 577 1 2 . 1 1 27 27 ILE HA H 27 4.750 4.750 5.053 -0.303 18302 578 1 2 . 1 1 27 27 ILE C C 27 176.338 176.338 175.807 0.531 18302 579 1 2 . 1 1 27 27 ILE CA C 27 61.112 61.112 59.985 1.127 18302 580 1 2 . 1 1 27 27 ILE CB C 27 40.000 40.000 41.018 -1.018 18302 581 1 2 . 1 1 27 27 ILE H H 27 9.988 9.988 8.234 1.754 18302 582 1 2 . 1 1 28 28 THR N N 28 116.237 116.237 121.356 -5.119 18302 583 1 2 . 1 1 28 28 THR HA H 28 4.850 4.850 5.012 -0.162 18302 584 1 2 . 1 1 28 28 THR C C 28 176.422 176.422 176.230 0.192 18302 585 1 2 . 1 1 28 28 THR CA C 28 59.000 59.000 60.542 -1.542 18302 586 1 2 . 1 1 28 28 THR CB C 28 72.713 72.713 71.445 1.268 18302 587 1 2 . 1 1 28 28 THR H H 28 8.233 8.233 8.615 -0.382 18302 588 1 2 . 1 1 29 29 THR N N 29 114.660 114.660 117.359 -2.699 18302 589 1 2 . 1 1 29 29 THR HA H 29 3.800 3.800 3.960 -0.160 18302 590 1 2 . 1 1 29 29 THR C C 29 177.772 177.772 176.218 1.554 18302 591 1 2 . 1 1 29 29 THR CA C 29 66.767 66.767 66.529 0.238 18302 592 1 2 . 1 1 29 29 THR CB C 29 68.611 68.611 68.568 0.043 18302 593 1 2 . 1 1 29 29 THR H H 29 9.316 9.316 8.968 0.348 18302 594 1 2 . 1 1 30 30 LYS N N 30 121.300 121.300 122.388 -1.088 18302 595 1 2 . 1 1 30 30 LYS HA H 30 4.128 4.128 3.990 0.138 18302 596 1 2 . 1 1 30 30 LYS C C 30 180.194 180.194 178.670 1.524 18302 597 1 2 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.215 -0.861 18302 598 1 2 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.749 0.415 18302 599 1 2 . 1 1 30 30 LYS H H 30 7.900 7.900 8.521 -0.621 18302 600 1 2 . 1 1 31 31 GLU N N 31 122.184 122.184 119.611 2.573 18302 601 1 2 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.028 -0.028 18302 602 1 2 . 1 1 31 31 GLU C C 31 178.964 178.964 178.805 0.159 18302 603 1 2 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.450 0.490 18302 604 1 2 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.424 0.396 18302 605 1 2 . 1 1 31 31 GLU H H 31 7.900 7.900 8.056 -0.156 18302 606 1 2 . 1 1 32 32 LEU N N 32 120.000 120.000 120.543 -0.543 18302 607 1 2 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.148 0.002 18302 608 1 2 . 1 1 32 32 LEU C C 32 179.190 179.190 178.763 0.427 18302 609 1 2 . 1 1 32 32 LEU CA C 32 58.182 58.182 57.965 0.217 18302 610 1 2 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.643 0.717 18302 611 1 2 . 1 1 32 32 LEU H H 32 8.600 8.600 8.195 0.405 18302 612 1 2 . 1 1 33 33 GLY N N 33 105.412 105.412 106.173 -0.761 18302 613 1 2 . 1 1 33 33 GLY C C 33 175.371 175.371 176.082 -0.711 18302 614 1 2 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.791 1.014 18302 615 1 2 . 1 1 33 33 GLY H H 33 8.730 8.730 8.691 0.039 18302 616 1 2 . 1 1 34 34 THR N N 34 118.762 118.762 119.399 -0.637 18302 617 1 2 . 1 1 34 34 THR HA H 34 3.950 3.950 4.027 -0.077 18302 618 1 2 . 1 1 34 34 THR C C 34 177.681 177.681 176.618 1.063 18302 619 1 2 . 1 1 34 34 THR CA C 34 66.767 66.767 67.591 -0.824 18302 620 1 2 . 1 1 34 34 THR CB C 34 69.197 69.197 68.650 0.547 18302 621 1 2 . 1 1 34 34 THR H H 34 8.104 8.104 8.155 -0.051 18302 622 1 2 . 1 1 35 35 VAL N N 35 122.943 122.943 122.266 0.677 18302 623 1 2 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.637 0.033 18302 624 1 2 . 1 1 35 35 VAL C C 35 179.691 179.691 178.434 1.257 18302 625 1 2 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.532 0.035 18302 626 1 2 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.695 0.138 18302 627 1 2 . 1 1 35 35 VAL H H 35 8.230 8.230 7.709 0.521 18302 628 1 2 . 1 1 36 36 MET N N 36 118.074 118.074 117.822 0.252 18302 629 1 2 . 1 1 36 36 MET HA H 36 4.124 4.124 4.234 -0.110 18302 630 1 2 . 1 1 36 36 MET C C 36 179.518 179.518 178.439 1.079 18302 631 1 2 . 1 1 36 36 MET CA C 36 58.400 58.400 57.275 1.125 18302 632 1 2 . 1 1 36 36 MET CB C 36 31.233 31.233 31.422 -0.190 18302 633 1 2 . 1 1 36 36 MET H H 36 8.746 8.746 8.521 0.225 18302 634 1 2 . 1 1 37 37 ARG N N 37 118.931 118.931 120.993 -2.062 18302 635 1 2 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.104 0.746 18302 636 1 2 . 1 1 37 37 ARG C C 37 181.608 181.608 179.829 1.779 18302 637 1 2 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.437 -0.083 18302 638 1 2 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.306 -0.486 18302 639 1 2 . 1 1 37 37 ARG H H 37 8.559 8.559 8.735 -0.176 18302 640 1 2 . 1 1 38 38 SER N N 38 119.164 119.164 116.511 2.653 18302 641 1 2 . 1 1 38 38 SER HA H 38 4.445 4.445 4.240 0.205 18302 642 1 2 . 1 1 38 38 SER C C 38 175.212 175.212 175.752 -0.540 18302 643 1 2 . 1 1 38 38 SER CA C 38 61.698 61.698 61.471 0.227 18302 644 1 2 . 1 1 38 38 SER CB C 38 62.733 62.733 62.936 -0.203 18302 645 1 2 . 1 1 38 38 SER H H 38 8.075 8.075 8.479 -0.404 18302 646 1 2 . 1 1 39 39 LEU N N 39 120.667 120.667 118.791 1.876 18302 647 1 2 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.435 -0.205 18302 648 1 2 . 1 1 39 39 LEU C C 39 177.740 177.740 177.181 0.559 18302 649 1 2 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.065 -0.762 18302 650 1 2 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.487 -0.713 18302 651 1 2 . 1 1 39 39 LEU H H 39 7.419 7.419 7.225 0.194 18302 652 1 2 . 1 1 40 40 GLY N N 40 107.175 107.175 106.595 0.580 18302 653 1 2 . 1 1 40 40 GLY C C 40 174.723 174.723 174.467 0.256 18302 654 1 2 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.679 0.821 18302 655 1 2 . 1 1 40 40 GLY H H 40 7.900 7.900 7.899 0.001 18302 656 1 2 . 1 1 41 41 GLN N N 41 117.918 117.918 120.219 -2.301 18302 657 1 2 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.339 -0.209 18302 658 1 2 . 1 1 41 41 GLN C C 41 174.428 174.428 175.721 -1.293 18302 659 1 2 . 1 1 41 41 GLN CA C 41 55.000 55.000 55.117 -0.117 18302 660 1 2 . 1 1 41 41 GLN CB C 41 29.820 29.820 29.702 0.118 18302 661 1 2 . 1 1 41 41 GLN H H 41 7.746 7.746 7.826 -0.080 18302 662 1 2 . 1 1 42 42 ASN N N 42 119.000 119.000 121.935 -2.935 18302 663 1 2 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.508 0.092 18302 664 1 2 . 1 1 42 42 ASN H H 42 8.250 8.250 8.694 -0.444 18302 665 1 2 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.342 0.858 18302 666 1 2 . 1 1 43 43 PRO C C 43 177.909 177.909 176.117 1.792 18302 667 1 2 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.249 -0.965 18302 668 1 2 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.301 -0.568 18302 669 1 2 . 1 1 44 44 THR N N 44 113.390 113.390 111.638 1.752 18302 670 1 2 . 1 1 44 44 THR HA H 44 4.450 4.450 4.158 0.292 18302 671 1 2 . 1 1 44 44 THR C C 44 175.483 175.483 175.370 0.113 18302 672 1 2 . 1 1 44 44 THR CA C 44 60.526 60.526 62.304 -1.778 18302 673 1 2 . 1 1 44 44 THR CB C 44 71.541 71.541 69.213 2.329 18302 674 1 2 . 1 1 44 44 THR H H 44 8.982 8.982 8.130 0.852 18302 675 1 2 . 1 1 45 45 GLU N N 45 120.632 120.632 125.800 -5.168 18302 676 1 2 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.149 -0.199 18302 677 1 2 . 1 1 45 45 GLU C C 45 179.348 179.348 178.153 1.195 18302 678 1 2 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.712 0.288 18302 679 1 2 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.531 0.202 18302 680 1 2 . 1 1 45 45 GLU H H 45 8.854 8.854 8.746 0.108 18302 681 1 2 . 1 1 46 46 THR N N 46 121.035 121.035 123.530 -2.495 18302 682 1 2 . 1 1 46 46 THR HA H 46 4.121 4.121 4.195 -0.074 18302 683 1 2 . 1 1 46 46 THR C C 46 175.463 175.463 177.012 -1.549 18302 684 1 2 . 1 1 46 46 THR CA C 46 62.324 62.324 65.060 -2.736 18302 685 1 2 . 1 1 46 46 THR CB C 46 70.088 70.088 67.638 2.450 18302 686 1 2 . 1 1 46 46 THR H H 46 8.295 8.295 8.428 -0.133 18302 687 1 2 . 1 1 47 47 GLY N N 47 111.232 111.232 107.320 3.912 18302 688 1 2 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.039 -0.102 18302 689 1 2 . 1 1 47 47 GLY C C 47 174.998 174.998 176.944 -1.946 18302 690 1 2 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.909 -1.988 18302 691 1 2 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.177 0.643 18302 692 1 2 . 1 1 47 47 GLY H H 47 8.720 8.720 8.313 0.407 18302 693 1 2 . 1 1 48 48 ALA N N 48 124.417 124.417 121.493 2.924 18302 694 1 2 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.990 0.292 18302 695 1 2 . 1 1 48 48 ALA C C 48 177.866 177.866 179.999 -2.133 18302 696 1 2 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.208 -1.383 18302 697 1 2 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.078 1.309 18302 698 1 2 . 1 1 48 48 ALA H H 48 8.365 8.365 7.414 0.951 18302 699 1 2 . 1 1 49 49 ALA N N 49 122.129 122.129 120.569 1.560 18302 700 1 2 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.925 0.321 18302 701 1 2 . 1 1 49 49 ALA C C 49 178.647 178.647 180.313 -1.666 18302 702 1 2 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.441 -2.271 18302 703 1 2 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.437 -2.288 18302 704 1 2 . 1 1 49 49 ALA H H 49 8.318 8.318 8.756 -0.438 18302 705 1 2 . 1 1 50 50 LEU N N 50 120.817 120.817 120.892 -0.075 18302 706 1 2 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.241 -0.116 18302 707 1 2 . 1 1 50 50 LEU C C 50 177.367 177.367 178.810 -1.443 18302 708 1 2 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.333 -1.607 18302 709 1 2 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.118 -0.018 18302 710 1 2 . 1 1 50 50 LEU H H 50 8.126 8.126 7.609 0.517 18302 711 1 2 . 1 1 51 51 SER N N 51 116.273 116.273 115.263 1.010 18302 712 1 2 . 1 1 51 51 SER HA H 51 4.057 4.057 4.189 -0.132 18302 713 1 2 . 1 1 51 51 SER C C 51 175.939 175.939 177.106 -1.167 18302 714 1 2 . 1 1 51 51 SER CA C 51 61.429 61.429 60.563 0.866 18302 715 1 2 . 1 1 51 51 SER CB C 51 28.648 28.648 32.318 -3.670 18302 716 1 2 . 1 1 51 51 SER H H 51 7.917 7.917 7.710 0.207 18302 717 1 2 . 1 1 52 52 TRP N N 52 123.132 123.132 120.406 2.726 18302 718 1 2 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.120 0.477 18302 719 1 2 . 1 1 52 52 TRP C C 52 178.377 178.377 178.046 0.331 18302 720 1 2 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.596 0.069 18302 721 1 2 . 1 1 52 52 TRP CB C 52 29.388 29.388 28.950 0.438 18302 722 1 2 . 1 1 52 52 TRP H H 52 8.732 8.732 8.956 -0.224 18302 723 1 2 . 1 1 53 53 GLN N N 53 117.115 117.115 117.745 -0.630 18302 724 1 2 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.186 -0.217 18302 725 1 2 . 1 1 53 53 GLN C C 53 177.779 177.779 177.462 0.317 18302 726 1 2 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.499 0.833 18302 727 1 2 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.226 -0.076 18302 728 1 2 . 1 1 53 53 GLN H H 53 8.480 8.480 7.771 0.709 18302 729 1 2 . 1 1 54 54 ALA N N 54 120.557 120.557 121.750 -1.193 18302 730 1 2 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.108 0.160 18302 731 1 2 . 1 1 54 54 ALA C C 54 181.023 181.023 179.090 1.933 18302 732 1 2 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.349 0.291 18302 733 1 2 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.329 -0.720 18302 734 1 2 . 1 1 54 54 ALA H H 54 8.003 8.003 7.160 0.843 18302 735 1 2 . 1 1 55 55 ALA N N 55 122.442 122.442 117.035 5.407 18302 736 1 2 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.168 -0.051 18302 737 1 2 . 1 1 55 55 ALA C C 55 179.069 179.069 178.235 0.834 18302 738 1 2 . 1 1 55 55 ALA CA C 55 55.478 55.478 53.097 2.381 18302 739 1 2 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.518 -0.283 18302 740 1 2 . 1 1 55 55 ALA H H 55 8.283 8.283 7.343 0.940 18302 741 1 2 . 1 1 56 56 ILE N N 56 119.035 119.035 122.412 -3.377 18302 742 1 2 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.961 -0.150 18302 743 1 2 . 1 1 56 56 ILE C C 56 177.968 177.968 176.639 1.329 18302 744 1 2 . 1 1 56 56 ILE CA C 56 65.950 65.950 63.034 2.916 18302 745 1 2 . 1 1 56 56 ILE CB C 56 38.315 38.315 37.757 0.558 18302 746 1 2 . 1 1 56 56 ILE H H 56 8.682 8.682 7.872 0.810 18302 747 1 2 . 1 1 57 57 ASP N N 57 119.160 119.160 126.302 -7.142 18302 748 1 2 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.368 0.032 18302 749 1 2 . 1 1 57 57 ASP C C 57 179.117 179.117 176.698 2.419 18302 750 1 2 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.564 -2.874 18302 751 1 2 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.049 -0.409 18302 752 1 2 . 1 1 57 57 ASP H H 57 8.393 8.393 8.847 -0.454 18302 753 1 2 . 1 1 58 58 ALA N N 58 122.077 122.077 118.085 3.992 18302 754 1 2 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.228 0.272 18302 755 1 2 . 1 1 58 58 ALA C C 58 180.605 180.605 178.422 2.183 18302 756 1 2 . 1 1 58 58 ALA CA C 58 54.968 54.968 50.965 4.003 18302 757 1 2 . 1 1 58 58 ALA CB C 58 18.534 18.534 18.255 0.279 18302 758 1 2 . 1 1 58 58 ALA H H 58 8.153 8.153 7.709 0.444 18302 759 1 2 . 1 1 59 59 ALA N N 59 123.120 123.120 122.029 1.091 18302 760 1 2 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.877 0.169 18302 761 1 2 . 1 1 59 59 ALA C C 59 180.385 180.385 177.849 2.536 18302 762 1 2 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.605 2.324 18302 763 1 2 . 1 1 59 59 ALA H H 59 8.807 8.807 7.597 1.210 18302 764 1 2 . 1 1 60 60 ARG N N 60 119.705 119.705 121.809 -2.104 18302 765 1 2 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.130 -0.142 18302 766 1 2 . 1 1 60 60 ARG C C 60 179.348 179.348 177.459 1.889 18302 767 1 2 . 1 1 60 60 ARG CA C 60 59.608 59.608 57.097 2.511 18302 768 1 2 . 1 1 60 60 ARG CB C 60 30.295 30.295 31.075 -0.780 18302 769 1 2 . 1 1 60 60 ARG H H 60 8.674 8.674 8.766 -0.092 18302 770 1 2 . 1 1 61 61 GLN N N 61 119.132 119.132 118.915 0.217 18302 771 1 2 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.002 0.094 18302 772 1 2 . 1 1 61 61 GLN C C 61 177.615 177.615 174.389 3.226 18302 773 1 2 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.959 2.271 18302 774 1 2 . 1 1 61 61 GLN H H 61 8.053 8.053 8.817 -0.764 18302 775 1 2 . 1 1 62 62 ALA N N 62 120.910 120.910 118.616 2.294 18302 776 1 2 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.240 -1.063 18302 777 1 2 . 1 1 62 62 ALA C C 62 179.311 179.311 175.553 3.758 18302 778 1 2 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.709 4.238 18302 779 1 2 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.170 -3.634 18302 780 1 2 . 1 1 62 62 ALA H H 62 7.920 7.920 7.346 0.574 18302 781 1 2 . 1 1 63 63 LYS N N 63 117.863 117.863 122.665 -4.802 18302 782 1 2 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.609 -0.453 18302 783 1 2 . 1 1 63 63 LYS C C 63 178.324 178.324 176.116 2.208 18302 784 1 2 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.657 4.230 18302 785 1 2 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.292 -0.512 18302 786 1 2 . 1 1 63 63 LYS H H 63 7.680 7.680 8.529 -0.849 18302 787 1 2 . 1 1 64 64 LEU N N 64 119.697 119.697 128.735 -9.038 18302 788 1 2 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.680 -0.487 18302 789 1 2 . 1 1 64 64 LEU C C 64 178.459 178.459 178.347 0.112 18302 790 1 2 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.318 2.126 18302 791 1 2 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.392 -1.231 18302 792 1 2 . 1 1 64 64 LEU H H 64 7.895 7.895 8.520 -0.625 18302 793 1 2 . 1 1 65 65 MET N N 65 117.184 117.184 119.765 -2.581 18302 794 1 2 . 1 1 65 65 MET HA H 65 4.472 4.472 4.297 0.175 18302 795 1 2 . 1 1 65 65 MET C C 65 177.053 177.053 175.966 1.087 18302 796 1 2 . 1 1 65 65 MET CA C 65 55.889 55.889 60.221 -4.332 18302 797 1 2 . 1 1 65 65 MET CB C 65 33.010 33.010 29.842 3.168 18302 798 1 2 . 1 1 65 65 MET H H 65 7.958 7.958 9.257 -1.299 18302 799 1 2 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.935 -0.085 18302 800 1 2 . 1 1 66 66 GLY C C 66 174.137 174.137 176.031 -1.894 18302 801 1 2 . 1 1 66 66 GLY CA C 66 45.590 45.590 48.023 -2.433 18302 802 1 2 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.894 -0.061 18302 803 1 2 . 1 1 67 67 SER N N 67 115.622 115.622 113.488 2.134 18302 804 1 2 . 1 1 67 67 SER HA H 67 4.472 4.472 4.099 0.373 18302 805 1 2 . 1 1 67 67 SER C C 67 173.300 173.300 176.707 -3.407 18302 806 1 2 . 1 1 67 67 SER CA C 67 58.182 58.182 61.570 -3.388 18302 807 1 2 . 1 1 67 67 SER CB C 67 64.389 64.389 62.278 2.111 18302 808 1 2 . 1 1 67 67 SER H H 67 8.127 8.127 8.465 -0.338 18302 809 1 2 . 1 1 68 68 ALA N N 68 131.351 131.351 123.238 8.113 18302 810 1 2 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.993 0.207 18302 811 1 2 . 1 1 68 68 ALA C C 68 176.792 176.792 177.698 -0.906 18302 812 1 2 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.287 -1.171 18302 813 1 2 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.339 0.909 18302 814 1 2 . 1 1 68 68 ALA H H 68 7.984 7.984 7.652 0.332 18302 815 1 2 . 1 1 69 69 LEU N N 69 119.986 119.986 118.674 1.312 18302 816 1 2 . 1 1 69 69 LEU HA H 69 3.350 3.350 4.023 -0.673 18302 817 1 2 . 1 1 69 69 LEU C C 69 178.468 178.468 178.085 0.383 18302 818 1 2 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.419 0.500 18302 819 1 2 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.447 -0.447 18302 820 1 2 . 1 1 69 69 LEU H H 69 9.062 9.062 7.627 1.435 18302 821 1 2 . 1 1 70 70 THR N N 70 114.834 114.834 115.068 -0.234 18302 822 1 2 . 1 1 70 70 THR HA H 70 4.100 4.100 4.027 0.073 18302 823 1 2 . 1 1 70 70 THR C C 70 176.391 176.391 176.704 -0.313 18302 824 1 2 . 1 1 70 70 THR CA C 70 61.833 61.833 65.939 -4.106 18302 825 1 2 . 1 1 70 70 THR CB C 70 68.267 68.267 69.149 -0.882 18302 826 1 2 . 1 1 70 70 THR H H 70 7.710 7.710 7.905 -0.195 18302 827 1 2 . 1 1 71 71 MET N N 71 120.233 120.233 121.883 -1.650 18302 828 1 2 . 1 1 71 71 MET HA H 71 3.850 3.850 4.048 -0.198 18302 829 1 2 . 1 1 71 71 MET C C 71 178.145 178.145 177.665 0.480 18302 830 1 2 . 1 1 71 71 MET CA C 71 58.768 58.768 58.551 0.217 18302 831 1 2 . 1 1 71 71 MET CB C 71 31.233 31.233 32.407 -1.174 18302 832 1 2 . 1 1 71 71 MET H H 71 7.034 7.034 8.510 -1.476 18302 833 1 2 . 1 1 72 72 MET N N 72 118.621 118.621 115.362 3.259 18302 834 1 2 . 1 1 72 72 MET HA H 72 3.800 3.800 4.420 -0.620 18302 835 1 2 . 1 1 72 72 MET C C 72 178.930 178.930 176.848 2.082 18302 836 1 2 . 1 1 72 72 MET CA C 72 56.500 56.500 57.348 -0.848 18302 837 1 2 . 1 1 72 72 MET CB C 72 32.733 32.733 32.776 -0.043 18302 838 1 2 . 1 1 72 72 MET H H 72 7.839 7.839 7.539 0.300 18302 839 1 2 . 1 1 73 73 ALA N N 73 120.567 120.567 121.334 -0.767 18302 840 1 2 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.291 -0.156 18302 841 1 2 . 1 1 73 73 ALA C C 73 179.332 179.332 177.319 2.013 18302 842 1 2 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.566 1.514 18302 843 1 2 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.335 0.118 18302 844 1 2 . 1 1 73 73 ALA H H 73 8.240 8.240 7.657 0.583 18302 845 1 2 . 1 1 74 74 ARG N N 74 116.784 116.784 117.852 -1.068 18302 846 1 2 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.395 -0.258 18302 847 1 2 . 1 1 74 74 ARG C C 74 177.511 177.511 177.307 0.204 18302 848 1 2 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.036 1.560 18302 849 1 2 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.148 0.258 18302 850 1 2 . 1 1 74 74 ARG H H 74 7.382 7.382 7.859 -0.477 18302 851 1 2 . 1 1 75 75 LYS N N 75 118.548 118.548 120.727 -2.179 18302 852 1 2 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.001 0.305 18302 853 1 2 . 1 1 75 75 LYS C C 75 176.937 176.937 177.127 -0.190 18302 854 1 2 . 1 1 75 75 LYS CA C 75 55.000 55.000 59.008 -4.008 18302 855 1 2 . 1 1 75 75 LYS CB C 75 32.750 32.750 32.483 0.267 18302 856 1 2 . 1 1 75 75 LYS H H 75 7.732 7.732 7.696 0.036 18302 857 1 2 . 1 1 76 76 MET N N 76 120.367 120.367 117.803 2.564 18302 858 1 2 . 1 1 76 76 MET HA H 76 4.443 4.443 4.473 -0.030 18302 859 1 2 . 1 1 76 76 MET C C 76 175.539 175.539 176.295 -0.756 18302 860 1 2 . 1 1 76 76 MET CA C 76 55.500 55.500 55.294 0.206 18302 861 1 2 . 1 1 76 76 MET CB C 76 32.733 32.733 33.176 -0.443 18302 862 1 2 . 1 1 76 76 MET H H 76 7.863 7.863 7.778 0.085 18302 863 1 3 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.850 -0.234 18302 864 1 3 . 1 1 2 2 ASP C C 2 175.975 175.975 175.385 0.590 18302 865 1 3 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.317 0.349 18302 866 1 3 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.787 0.401 18302 867 1 3 . 1 1 3 3 GLN N N 3 119.995 119.995 122.081 -2.086 18302 868 1 3 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.557 -0.174 18302 869 1 3 . 1 1 3 3 GLN C C 3 175.927 175.927 175.521 0.406 18302 870 1 3 . 1 1 3 3 GLN CA C 3 52.653 52.653 54.757 -2.104 18302 871 1 3 . 1 1 3 3 GLN CB C 3 29.234 29.234 30.855 -1.621 18302 872 1 3 . 1 1 3 3 GLN H H 3 8.414 8.414 8.626 -0.212 18302 873 1 3 . 1 1 4 4 LEU N N 4 123.586 123.586 122.383 1.203 18302 874 1 3 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.363 0.307 18302 875 1 3 . 1 1 4 4 LEU C C 4 177.983 177.983 176.202 1.781 18302 876 1 3 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.170 -1.504 18302 877 1 3 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.682 0.850 18302 878 1 3 . 1 1 4 4 LEU H H 4 8.352 8.352 8.319 0.033 18302 879 1 3 . 1 1 5 5 THR N N 5 113.292 113.292 112.703 0.589 18302 880 1 3 . 1 1 5 5 THR HA H 5 4.470 4.470 4.333 0.137 18302 881 1 3 . 1 1 5 5 THR C C 5 175.729 175.729 174.182 1.547 18302 882 1 3 . 1 1 5 5 THR CA C 5 60.526 60.526 61.369 -0.843 18302 883 1 3 . 1 1 5 5 THR CB C 5 71.541 71.541 69.874 1.667 18302 884 1 3 . 1 1 5 5 THR H H 5 8.735 8.735 7.944 0.791 18302 885 1 3 . 1 1 6 6 GLU N N 6 120.507 120.507 121.140 -0.633 18302 886 1 3 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.959 0.032 18302 887 1 3 . 1 1 6 6 GLU C C 6 179.816 179.816 178.068 1.748 18302 888 1 3 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.322 -0.382 18302 889 1 3 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.726 -0.492 18302 890 1 3 . 1 1 6 6 GLU H H 6 9.060 9.060 8.901 0.159 18302 891 1 3 . 1 1 7 7 GLU N N 7 120.000 120.000 118.169 1.831 18302 892 1 3 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.928 0.157 18302 893 1 3 . 1 1 7 7 GLU C C 7 179.588 179.588 178.885 0.703 18302 894 1 3 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.320 0.620 18302 895 1 3 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.436 0.398 18302 896 1 3 . 1 1 7 7 GLU H H 7 8.770 8.770 8.423 0.347 18302 897 1 3 . 1 1 8 8 GLN N N 8 120.798 120.798 119.227 1.571 18302 898 1 3 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.124 -0.294 18302 899 1 3 . 1 1 8 8 GLN C C 8 178.179 178.179 178.842 -0.663 18302 900 1 3 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.972 -0.652 18302 901 1 3 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.114 1.119 18302 902 1 3 . 1 1 8 8 GLN H H 8 7.755 7.755 8.384 -0.629 18302 903 1 3 . 1 1 9 9 ILE N N 9 119.028 119.028 116.692 2.336 18302 904 1 3 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.911 -0.311 18302 905 1 3 . 1 1 9 9 ILE C C 9 178.147 178.147 177.917 0.230 18302 906 1 3 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.948 1.672 18302 907 1 3 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.314 0.338 18302 908 1 3 . 1 1 9 9 ILE H H 9 8.253 8.253 7.545 0.708 18302 909 1 3 . 1 1 10 10 ALA N N 10 120.587 120.587 122.388 -1.801 18302 910 1 3 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.882 0.258 18302 911 1 3 . 1 1 10 10 ALA C C 10 181.279 181.279 179.456 1.823 18302 912 1 3 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.133 0.119 18302 913 1 3 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.851 -0.351 18302 914 1 3 . 1 1 10 10 ALA H H 10 8.051 8.051 7.972 0.079 18302 915 1 3 . 1 1 11 11 GLU N N 11 120.436 120.436 120.590 -0.154 18302 916 1 3 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.021 0.174 18302 917 1 3 . 1 1 11 11 GLU C C 11 180.542 180.542 178.725 1.817 18302 918 1 3 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.393 -0.039 18302 919 1 3 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.865 -0.631 18302 920 1 3 . 1 1 11 11 GLU H H 11 7.795 7.795 8.577 -0.782 18302 921 1 3 . 1 1 12 12 PHE N N 12 120.654 120.654 120.149 0.505 18302 922 1 3 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.464 0.586 18302 923 1 3 . 1 1 12 12 PHE C C 12 179.155 179.155 177.212 1.943 18302 924 1 3 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.562 -1.802 18302 925 1 3 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.951 -1.951 18302 926 1 3 . 1 1 12 12 PHE H H 12 8.541 8.541 8.607 -0.066 18302 927 1 3 . 1 1 13 13 LYS N N 13 123.600 123.600 120.089 3.511 18302 928 1 3 . 1 1 13 13 LYS HA H 13 3.993 3.993 2.940 1.053 18302 929 1 3 . 1 1 13 13 LYS C C 13 179.523 179.523 178.537 0.986 18302 930 1 3 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.186 0.754 18302 931 1 3 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.584 0.149 18302 932 1 3 . 1 1 13 13 LYS H H 13 9.279 9.279 7.500 1.779 18302 933 1 3 . 1 1 14 14 GLU N N 14 121.150 121.150 118.810 2.340 18302 934 1 3 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.888 0.233 18302 935 1 3 . 1 1 14 14 GLU C C 14 179.859 179.859 178.729 1.130 18302 936 1 3 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.100 0.254 18302 937 1 3 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.394 0.339 18302 938 1 3 . 1 1 14 14 GLU H H 14 8.036 8.036 7.841 0.195 18302 939 1 3 . 1 1 15 15 ALA N N 15 122.010 122.010 121.747 0.263 18302 940 1 3 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.789 0.560 18302 941 1 3 . 1 1 15 15 ALA C C 15 178.785 178.785 179.262 -0.477 18302 942 1 3 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.821 0.431 18302 943 1 3 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.379 -0.379 18302 944 1 3 . 1 1 15 15 ALA H H 15 8.034 8.034 7.756 0.278 18302 945 1 3 . 1 1 16 16 PHE N N 16 119.032 119.032 118.821 0.211 18302 946 1 3 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.930 -0.630 18302 947 1 3 . 1 1 16 16 PHE C C 16 178.534 178.534 176.931 1.603 18302 948 1 3 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.819 2.181 18302 949 1 3 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.403 1.597 18302 950 1 3 . 1 1 16 16 PHE H H 16 8.633 8.633 8.388 0.245 18302 951 1 3 . 1 1 17 17 SER N N 17 113.786 113.786 114.161 -0.375 18302 952 1 3 . 1 1 17 17 SER HA H 17 4.100 4.100 3.202 0.898 18302 953 1 3 . 1 1 17 17 SER C C 17 174.639 174.639 175.768 -1.129 18302 954 1 3 . 1 1 17 17 SER CA C 17 61.500 61.500 61.015 0.485 18302 955 1 3 . 1 1 17 17 SER CB C 17 63.500 63.500 62.595 0.905 18302 956 1 3 . 1 1 17 17 SER H H 17 8.215 8.215 7.483 0.732 18302 957 1 3 . 1 1 18 18 LEU N N 18 120.113 120.113 119.377 0.736 18302 958 1 3 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.792 0.088 18302 959 1 3 . 1 1 18 18 LEU C C 18 177.151 177.151 178.483 -1.332 18302 960 1 3 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.199 -0.699 18302 961 1 3 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.654 -0.154 18302 962 1 3 . 1 1 18 18 LEU H H 18 7.417 7.417 7.041 0.376 18302 963 1 3 . 1 1 19 19 PHE N N 19 112.070 112.070 117.421 -5.351 18302 964 1 3 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.170 0.230 18302 965 1 3 . 1 1 19 19 PHE C C 19 175.699 175.699 176.851 -1.152 18302 966 1 3 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.257 -0.857 18302 967 1 3 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.786 3.114 18302 968 1 3 . 1 1 19 19 PHE H H 19 7.043 7.043 7.300 -0.257 18302 969 1 3 . 1 1 20 20 ASP N N 20 116.223 116.223 119.377 -3.154 18302 970 1 3 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.650 -0.050 18302 971 1 3 . 1 1 20 20 ASP C C 20 177.625 177.625 177.388 0.237 18302 972 1 3 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.705 -2.382 18302 973 1 3 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.910 -0.480 18302 974 1 3 . 1 1 20 20 ASP H H 20 7.484 7.484 7.832 -0.348 18302 975 1 3 . 1 1 21 21 LYS N N 21 124.544 124.544 123.952 0.592 18302 976 1 3 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.949 0.051 18302 977 1 3 . 1 1 21 21 LYS C C 21 178.513 178.513 177.673 0.840 18302 978 1 3 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.358 -0.658 18302 979 1 3 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.320 1.880 18302 980 1 3 . 1 1 21 21 LYS H H 21 7.601 7.601 8.330 -0.729 18302 981 1 3 . 1 1 22 22 ASP N N 22 114.320 114.320 114.714 -0.394 18302 982 1 3 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.459 0.175 18302 983 1 3 . 1 1 22 22 ASP C C 22 178.039 178.039 177.624 0.415 18302 984 1 3 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.351 -1.443 18302 985 1 3 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.208 -0.192 18302 986 1 3 . 1 1 22 22 ASP H H 22 8.241 8.241 7.987 0.254 18302 987 1 3 . 1 1 23 23 GLY N N 23 109.478 109.478 108.417 1.061 18302 988 1 3 . 1 1 23 23 GLY C C 23 175.427 175.427 175.186 0.241 18302 989 1 3 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.992 1.056 18302 990 1 3 . 1 1 23 23 GLY H H 23 7.680 7.680 8.077 -0.397 18302 991 1 3 . 1 1 24 24 ASP N N 24 121.007 121.007 120.004 1.003 18302 992 1 3 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.603 -0.103 18302 993 1 3 . 1 1 24 24 ASP C C 24 177.660 177.660 177.765 -0.105 18302 994 1 3 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.293 0.787 18302 995 1 3 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.230 -0.628 18302 996 1 3 . 1 1 24 24 ASP H H 24 8.523 8.523 9.072 -0.549 18302 997 1 3 . 1 1 25 25 GLY N N 25 112.961 112.961 109.674 3.287 18302 998 1 3 . 1 1 25 25 GLY C C 25 174.198 174.198 173.900 0.298 18302 999 1 3 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.538 -0.248 18302 1000 1 3 . 1 1 25 25 GLY H H 25 10.539 10.539 9.290 1.249 18302 1001 1 3 . 1 1 26 26 THR N N 26 112.593 112.593 110.280 2.313 18302 1002 1 3 . 1 1 26 26 THR HA H 26 5.560 5.560 5.113 0.447 18302 1003 1 3 . 1 1 26 26 THR C C 26 173.991 173.991 172.744 1.247 18302 1004 1 3 . 1 1 26 26 THR CA C 26 59.500 59.500 59.643 -0.143 18302 1005 1 3 . 1 1 26 26 THR CB C 26 73.299 73.299 72.755 0.544 18302 1006 1 3 . 1 1 26 26 THR H H 26 8.304 8.304 8.829 -0.525 18302 1007 1 3 . 1 1 27 27 ILE N N 27 126.868 126.868 118.118 8.750 18302 1008 1 3 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.708 0.042 18302 1009 1 3 . 1 1 27 27 ILE C C 27 176.338 176.338 174.766 1.572 18302 1010 1 3 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.241 0.871 18302 1011 1 3 . 1 1 27 27 ILE CB C 27 40.000 40.000 42.126 -2.126 18302 1012 1 3 . 1 1 27 27 ILE H H 27 9.988 9.988 8.189 1.799 18302 1013 1 3 . 1 1 28 28 THR N N 28 116.237 116.237 116.632 -0.395 18302 1014 1 3 . 1 1 28 28 THR HA H 28 4.850 4.850 4.908 -0.058 18302 1015 1 3 . 1 1 28 28 THR C C 28 176.422 176.422 175.806 0.616 18302 1016 1 3 . 1 1 28 28 THR CA C 28 59.000 59.000 59.637 -0.637 18302 1017 1 3 . 1 1 28 28 THR CB C 28 72.713 72.713 70.993 1.720 18302 1018 1 3 . 1 1 28 28 THR H H 28 8.233 8.233 7.726 0.507 18302 1019 1 3 . 1 1 29 29 THR N N 29 114.660 114.660 116.275 -1.615 18302 1020 1 3 . 1 1 29 29 THR HA H 29 3.800 3.800 4.012 -0.212 18302 1021 1 3 . 1 1 29 29 THR C C 29 177.772 177.772 176.384 1.388 18302 1022 1 3 . 1 1 29 29 THR CA C 29 66.767 66.767 66.990 -0.223 18302 1023 1 3 . 1 1 29 29 THR CB C 29 68.611 68.611 68.432 0.179 18302 1024 1 3 . 1 1 29 29 THR H H 29 9.316 9.316 8.934 0.382 18302 1025 1 3 . 1 1 30 30 LYS N N 30 121.300 121.300 121.385 -0.085 18302 1026 1 3 . 1 1 30 30 LYS HA H 30 4.128 4.128 3.947 0.181 18302 1027 1 3 . 1 1 30 30 LYS C C 30 180.194 180.194 178.810 1.384 18302 1028 1 3 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.075 -0.721 18302 1029 1 3 . 1 1 30 30 LYS CB C 30 32.164 32.164 32.081 0.083 18302 1030 1 3 . 1 1 30 30 LYS H H 30 7.900 7.900 8.266 -0.366 18302 1031 1 3 . 1 1 31 31 GLU N N 31 122.184 122.184 119.337 2.847 18302 1032 1 3 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.053 -0.053 18302 1033 1 3 . 1 1 31 31 GLU C C 31 178.964 178.964 179.064 -0.100 18302 1034 1 3 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.465 0.475 18302 1035 1 3 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.358 0.462 18302 1036 1 3 . 1 1 31 31 GLU H H 31 7.900 7.900 8.068 -0.168 18302 1037 1 3 . 1 1 32 32 LEU N N 32 120.000 120.000 120.850 -0.850 18302 1038 1 3 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.136 0.014 18302 1039 1 3 . 1 1 32 32 LEU C C 32 179.190 179.190 178.515 0.675 18302 1040 1 3 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.124 0.058 18302 1041 1 3 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.587 0.773 18302 1042 1 3 . 1 1 32 32 LEU H H 32 8.600 8.600 8.307 0.293 18302 1043 1 3 . 1 1 33 33 GLY N N 33 105.412 105.412 105.896 -0.484 18302 1044 1 3 . 1 1 33 33 GLY C C 33 175.371 175.371 175.849 -0.478 18302 1045 1 3 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.751 1.055 18302 1046 1 3 . 1 1 33 33 GLY H H 33 8.730 8.730 8.741 -0.011 18302 1047 1 3 . 1 1 34 34 THR N N 34 118.762 118.762 119.514 -0.752 18302 1048 1 3 . 1 1 34 34 THR HA H 34 3.950 3.950 3.940 0.010 18302 1049 1 3 . 1 1 34 34 THR C C 34 177.681 177.681 176.440 1.241 18302 1050 1 3 . 1 1 34 34 THR CA C 34 66.767 66.767 67.290 -0.523 18302 1051 1 3 . 1 1 34 34 THR CB C 34 69.197 69.197 68.778 0.419 18302 1052 1 3 . 1 1 34 34 THR H H 34 8.104 8.104 7.943 0.161 18302 1053 1 3 . 1 1 35 35 VAL N N 35 122.943 122.943 121.592 1.351 18302 1054 1 3 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.677 -0.007 18302 1055 1 3 . 1 1 35 35 VAL C C 35 179.691 179.691 178.164 1.527 18302 1056 1 3 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.841 -0.273 18302 1057 1 3 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.352 0.481 18302 1058 1 3 . 1 1 35 35 VAL H H 35 8.230 8.230 7.652 0.578 18302 1059 1 3 . 1 1 36 36 MET N N 36 118.074 118.074 117.805 0.269 18302 1060 1 3 . 1 1 36 36 MET HA H 36 4.124 4.124 4.056 0.068 18302 1061 1 3 . 1 1 36 36 MET C C 36 179.518 179.518 178.291 1.227 18302 1062 1 3 . 1 1 36 36 MET CA C 36 58.400 58.400 59.610 -1.210 18302 1063 1 3 . 1 1 36 36 MET CB C 36 31.233 31.233 32.256 -1.023 18302 1064 1 3 . 1 1 36 36 MET H H 36 8.746 8.746 8.688 0.058 18302 1065 1 3 . 1 1 37 37 ARG N N 37 118.931 118.931 120.987 -2.056 18302 1066 1 3 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.106 0.744 18302 1067 1 3 . 1 1 37 37 ARG C C 37 181.608 181.608 179.324 2.284 18302 1068 1 3 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.602 -0.248 18302 1069 1 3 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.409 -0.589 18302 1070 1 3 . 1 1 37 37 ARG H H 37 8.559 8.559 8.691 -0.132 18302 1071 1 3 . 1 1 38 38 SER N N 38 119.164 119.164 117.016 2.148 18302 1072 1 3 . 1 1 38 38 SER HA H 38 4.445 4.445 4.177 0.268 18302 1073 1 3 . 1 1 38 38 SER C C 38 175.212 175.212 176.177 -0.965 18302 1074 1 3 . 1 1 38 38 SER CA C 38 61.698 61.698 61.746 -0.048 18302 1075 1 3 . 1 1 38 38 SER CB C 38 62.733 62.733 62.916 -0.183 18302 1076 1 3 . 1 1 38 38 SER H H 38 8.075 8.075 8.516 -0.441 18302 1077 1 3 . 1 1 39 39 LEU N N 39 120.667 120.667 119.208 1.459 18302 1078 1 3 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.261 -0.031 18302 1079 1 3 . 1 1 39 39 LEU C C 39 177.740 177.740 177.732 0.008 18302 1080 1 3 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.515 -1.212 18302 1081 1 3 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.471 -0.697 18302 1082 1 3 . 1 1 39 39 LEU H H 39 7.419 7.419 7.445 -0.026 18302 1083 1 3 . 1 1 40 40 GLY N N 40 107.175 107.175 106.210 0.965 18302 1084 1 3 . 1 1 40 40 GLY C C 40 174.723 174.723 173.719 1.004 18302 1085 1 3 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.492 1.008 18302 1086 1 3 . 1 1 40 40 GLY H H 40 7.900 7.900 8.082 -0.182 18302 1087 1 3 . 1 1 41 41 GLN N N 41 117.918 117.918 120.595 -2.677 18302 1088 1 3 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.300 -0.170 18302 1089 1 3 . 1 1 41 41 GLN C C 41 174.428 174.428 176.197 -1.769 18302 1090 1 3 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.409 0.591 18302 1091 1 3 . 1 1 41 41 GLN CB C 41 29.820 29.820 29.328 0.492 18302 1092 1 3 . 1 1 41 41 GLN H H 41 7.746 7.746 7.799 -0.053 18302 1093 1 3 . 1 1 42 42 ASN N N 42 119.000 119.000 127.365 -8.365 18302 1094 1 3 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.525 0.075 18302 1095 1 3 . 1 1 42 42 ASN H H 42 8.250 8.250 8.447 -0.198 18302 1096 1 3 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.257 0.943 18302 1097 1 3 . 1 1 43 43 PRO C C 43 177.909 177.909 176.051 1.858 18302 1098 1 3 . 1 1 43 43 PRO CA C 43 62.284 62.284 64.308 -2.024 18302 1099 1 3 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.072 0.661 18302 1100 1 3 . 1 1 44 44 THR N N 44 113.390 113.390 114.317 -0.927 18302 1101 1 3 . 1 1 44 44 THR HA H 44 4.450 4.450 4.401 0.049 18302 1102 1 3 . 1 1 44 44 THR C C 44 175.483 175.483 175.646 -0.163 18302 1103 1 3 . 1 1 44 44 THR CA C 44 60.526 60.526 61.936 -1.410 18302 1104 1 3 . 1 1 44 44 THR CB C 44 71.541 71.541 69.310 2.231 18302 1105 1 3 . 1 1 44 44 THR H H 44 8.982 8.982 8.472 0.510 18302 1106 1 3 . 1 1 45 45 GLU N N 45 120.632 120.632 124.658 -4.026 18302 1107 1 3 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.889 0.061 18302 1108 1 3 . 1 1 45 45 GLU C C 45 179.348 179.348 177.312 2.036 18302 1109 1 3 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.757 -0.757 18302 1110 1 3 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.459 0.274 18302 1111 1 3 . 1 1 45 45 GLU H H 45 8.854 8.854 8.787 0.067 18302 1112 1 3 . 1 1 46 46 THR N N 46 121.035 121.035 120.648 0.387 18302 1113 1 3 . 1 1 46 46 THR HA H 46 4.121 4.121 4.590 -0.469 18302 1114 1 3 . 1 1 46 46 THR C C 46 175.463 175.463 176.836 -1.373 18302 1115 1 3 . 1 1 46 46 THR CA C 46 62.324 62.324 64.373 -2.049 18302 1116 1 3 . 1 1 46 46 THR CB C 46 70.088 70.088 68.293 1.795 18302 1117 1 3 . 1 1 46 46 THR H H 46 8.295 8.295 8.265 0.030 18302 1118 1 3 . 1 1 47 47 GLY N N 47 111.232 111.232 109.172 2.060 18302 1119 1 3 . 1 1 47 47 GLY HA H 47 3.937 3.937 3.971 -0.034 18302 1120 1 3 . 1 1 47 47 GLY C C 47 174.998 174.998 177.099 -2.101 18302 1121 1 3 . 1 1 47 47 GLY CA C 47 45.921 45.921 48.117 -2.196 18302 1122 1 3 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.519 0.301 18302 1123 1 3 . 1 1 47 47 GLY H H 47 8.720 8.720 7.826 0.894 18302 1124 1 3 . 1 1 48 48 ALA N N 48 124.417 124.417 121.296 3.121 18302 1125 1 3 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.874 0.408 18302 1126 1 3 . 1 1 48 48 ALA C C 48 177.866 177.866 179.864 -1.998 18302 1127 1 3 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.996 -2.171 18302 1128 1 3 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.463 0.923 18302 1129 1 3 . 1 1 48 48 ALA H H 48 8.365 8.365 7.838 0.527 18302 1130 1 3 . 1 1 49 49 ALA N N 49 122.129 122.129 121.237 0.892 18302 1131 1 3 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.828 0.418 18302 1132 1 3 . 1 1 49 49 ALA C C 49 178.647 178.647 180.144 -1.497 18302 1133 1 3 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.562 -2.391 18302 1134 1 3 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.595 -2.446 18302 1135 1 3 . 1 1 49 49 ALA H H 49 8.318 8.318 7.718 0.600 18302 1136 1 3 . 1 1 50 50 LEU N N 50 120.817 120.817 120.692 0.125 18302 1137 1 3 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.222 -0.097 18302 1138 1 3 . 1 1 50 50 LEU C C 50 177.367 177.367 179.053 -1.686 18302 1139 1 3 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.316 -1.590 18302 1140 1 3 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.176 -0.076 18302 1141 1 3 . 1 1 50 50 LEU H H 50 8.126 8.126 7.859 0.267 18302 1142 1 3 . 1 1 51 51 SER N N 51 116.273 116.273 115.694 0.579 18302 1143 1 3 . 1 1 51 51 SER HA H 51 4.057 4.057 4.139 -0.082 18302 1144 1 3 . 1 1 51 51 SER C C 51 175.939 175.939 177.139 -1.200 18302 1145 1 3 . 1 1 51 51 SER CA C 51 61.429 61.429 61.034 0.395 18302 1146 1 3 . 1 1 51 51 SER CB C 51 28.648 28.648 32.388 -3.740 18302 1147 1 3 . 1 1 51 51 SER H H 51 7.917 7.917 8.293 -0.376 18302 1148 1 3 . 1 1 52 52 TRP N N 52 123.132 123.132 120.382 2.750 18302 1149 1 3 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.076 0.521 18302 1150 1 3 . 1 1 52 52 TRP C C 52 178.377 178.377 177.983 0.394 18302 1151 1 3 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.321 0.344 18302 1152 1 3 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.274 0.114 18302 1153 1 3 . 1 1 52 52 TRP H H 52 8.732 8.732 8.811 -0.079 18302 1154 1 3 . 1 1 53 53 GLN N N 53 117.115 117.115 117.839 -0.724 18302 1155 1 3 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.978 -0.009 18302 1156 1 3 . 1 1 53 53 GLN C C 53 177.779 177.779 178.510 -0.731 18302 1157 1 3 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.794 0.538 18302 1158 1 3 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.325 -0.175 18302 1159 1 3 . 1 1 53 53 GLN H H 53 8.480 8.480 7.671 0.809 18302 1160 1 3 . 1 1 54 54 ALA N N 54 120.557 120.557 122.814 -2.257 18302 1161 1 3 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.166 0.102 18302 1162 1 3 . 1 1 54 54 ALA C C 54 181.023 181.023 179.499 1.524 18302 1163 1 3 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.557 0.083 18302 1164 1 3 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.582 -0.973 18302 1165 1 3 . 1 1 54 54 ALA H H 54 8.003 8.003 7.421 0.582 18302 1166 1 3 . 1 1 55 55 ALA N N 55 122.442 122.442 117.716 4.726 18302 1167 1 3 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.310 -0.193 18302 1168 1 3 . 1 1 55 55 ALA C C 55 179.069 179.069 177.906 1.163 18302 1169 1 3 . 1 1 55 55 ALA CA C 55 55.478 55.478 52.052 3.426 18302 1170 1 3 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.578 -0.342 18302 1171 1 3 . 1 1 55 55 ALA H H 55 8.283 8.283 7.601 0.682 18302 1172 1 3 . 1 1 56 56 ILE N N 56 119.035 119.035 121.106 -2.071 18302 1173 1 3 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.915 -0.104 18302 1174 1 3 . 1 1 56 56 ILE C C 56 177.968 177.968 176.867 1.101 18302 1175 1 3 . 1 1 56 56 ILE CA C 56 65.950 65.950 63.969 1.981 18302 1176 1 3 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.725 -0.410 18302 1177 1 3 . 1 1 56 56 ILE H H 56 8.682 8.682 7.602 1.080 18302 1178 1 3 . 1 1 57 57 ASP N N 57 119.160 119.160 118.092 1.068 18302 1179 1 3 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.131 0.269 18302 1180 1 3 . 1 1 57 57 ASP C C 57 179.117 179.117 176.820 2.297 18302 1181 1 3 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.749 -3.059 18302 1182 1 3 . 1 1 57 57 ASP CB C 57 40.640 40.640 38.283 2.357 18302 1183 1 3 . 1 1 57 57 ASP H H 57 8.393 8.393 8.303 0.090 18302 1184 1 3 . 1 1 58 58 ALA N N 58 122.077 122.077 123.563 -1.486 18302 1185 1 3 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.255 0.245 18302 1186 1 3 . 1 1 58 58 ALA C C 58 180.605 180.605 178.898 1.707 18302 1187 1 3 . 1 1 58 58 ALA CA C 58 54.968 54.968 52.947 2.021 18302 1188 1 3 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.622 -1.088 18302 1189 1 3 . 1 1 58 58 ALA H H 58 8.153 8.153 8.334 -0.181 18302 1190 1 3 . 1 1 59 59 ALA N N 59 123.120 123.120 121.815 1.305 18302 1191 1 3 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.942 0.104 18302 1192 1 3 . 1 1 59 59 ALA C C 59 180.385 180.385 178.156 2.229 18302 1193 1 3 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.431 2.498 18302 1194 1 3 . 1 1 59 59 ALA H H 59 8.807 8.807 8.110 0.697 18302 1195 1 3 . 1 1 60 60 ARG N N 60 119.705 119.705 121.637 -1.932 18302 1196 1 3 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.274 -0.286 18302 1197 1 3 . 1 1 60 60 ARG C C 60 179.348 179.348 177.311 2.037 18302 1198 1 3 . 1 1 60 60 ARG CA C 60 59.608 59.608 55.688 3.920 18302 1199 1 3 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.263 0.032 18302 1200 1 3 . 1 1 60 60 ARG H H 60 8.674 8.674 8.078 0.596 18302 1201 1 3 . 1 1 61 61 GLN N N 61 119.132 119.132 119.767 -0.635 18302 1202 1 3 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.979 0.117 18302 1203 1 3 . 1 1 61 61 GLN C C 61 177.615 177.615 174.437 3.178 18302 1204 1 3 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.849 2.381 18302 1205 1 3 . 1 1 61 61 GLN H H 61 8.053 8.053 9.258 -1.205 18302 1206 1 3 . 1 1 62 62 ALA N N 62 120.910 120.910 118.874 2.036 18302 1207 1 3 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.254 -1.077 18302 1208 1 3 . 1 1 62 62 ALA C C 62 179.311 179.311 176.621 2.690 18302 1209 1 3 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.213 4.734 18302 1210 1 3 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.423 -3.887 18302 1211 1 3 . 1 1 62 62 ALA H H 62 7.920 7.920 8.555 -0.635 18302 1212 1 3 . 1 1 63 63 LYS N N 63 117.863 117.863 122.910 -5.047 18302 1213 1 3 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.935 -0.779 18302 1214 1 3 . 1 1 63 63 LYS C C 63 178.324 178.324 176.359 1.965 18302 1215 1 3 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.108 4.779 18302 1216 1 3 . 1 1 63 63 LYS CB C 63 31.780 31.780 31.700 0.080 18302 1217 1 3 . 1 1 63 63 LYS H H 63 7.680 7.680 8.787 -1.107 18302 1218 1 3 . 1 1 64 64 LEU N N 64 119.697 119.697 129.314 -9.617 18302 1219 1 3 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.613 -0.420 18302 1220 1 3 . 1 1 64 64 LEU C C 64 178.459 178.459 178.431 0.028 18302 1221 1 3 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.583 1.860 18302 1222 1 3 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.175 -1.014 18302 1223 1 3 . 1 1 64 64 LEU H H 64 7.895 7.895 8.408 -0.513 18302 1224 1 3 . 1 1 65 65 MET N N 65 117.184 117.184 119.693 -2.509 18302 1225 1 3 . 1 1 65 65 MET HA H 65 4.472 4.472 4.240 0.232 18302 1226 1 3 . 1 1 65 65 MET C C 65 177.053 177.053 175.999 1.054 18302 1227 1 3 . 1 1 65 65 MET CA C 65 55.889 55.889 60.341 -4.452 18302 1228 1 3 . 1 1 65 65 MET CB C 65 33.010 33.010 29.874 3.136 18302 1229 1 3 . 1 1 65 65 MET H H 65 7.958 7.958 9.244 -1.286 18302 1230 1 3 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.042 -0.192 18302 1231 1 3 . 1 1 66 66 GLY C C 66 174.137 174.137 176.164 -2.027 18302 1232 1 3 . 1 1 66 66 GLY CA C 66 45.590 45.590 48.102 -2.513 18302 1233 1 3 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.051 -0.218 18302 1234 1 3 . 1 1 67 67 SER N N 67 115.622 115.622 114.010 1.612 18302 1235 1 3 . 1 1 67 67 SER HA H 67 4.472 4.472 4.077 0.395 18302 1236 1 3 . 1 1 67 67 SER C C 67 173.300 173.300 176.835 -3.535 18302 1237 1 3 . 1 1 67 67 SER CA C 67 58.182 58.182 61.398 -3.216 18302 1238 1 3 . 1 1 67 67 SER CB C 67 64.389 64.389 62.612 1.776 18302 1239 1 3 . 1 1 67 67 SER H H 67 8.127 8.127 8.432 -0.305 18302 1240 1 3 . 1 1 68 68 ALA N N 68 131.351 131.351 122.764 8.587 18302 1241 1 3 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.931 0.269 18302 1242 1 3 . 1 1 68 68 ALA C C 68 176.792 176.792 177.216 -0.424 18302 1243 1 3 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.127 -1.011 18302 1244 1 3 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.368 0.880 18302 1245 1 3 . 1 1 68 68 ALA H H 68 7.984 7.984 7.566 0.418 18302 1246 1 3 . 1 1 69 69 LEU N N 69 119.986 119.986 118.469 1.517 18302 1247 1 3 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.841 -0.491 18302 1248 1 3 . 1 1 69 69 LEU C C 69 178.468 178.468 178.352 0.116 18302 1249 1 3 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.752 0.167 18302 1250 1 3 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.356 -0.356 18302 1251 1 3 . 1 1 69 69 LEU H H 69 9.062 9.062 7.588 1.474 18302 1252 1 3 . 1 1 70 70 THR N N 70 114.834 114.834 116.099 -1.265 18302 1253 1 3 . 1 1 70 70 THR HA H 70 4.100 4.100 4.028 0.072 18302 1254 1 3 . 1 1 70 70 THR C C 70 176.391 176.391 176.618 -0.227 18302 1255 1 3 . 1 1 70 70 THR CA C 70 61.833 61.833 66.149 -4.316 18302 1256 1 3 . 1 1 70 70 THR CB C 70 68.267 68.267 68.787 -0.520 18302 1257 1 3 . 1 1 70 70 THR H H 70 7.710 7.710 7.868 -0.158 18302 1258 1 3 . 1 1 71 71 MET N N 71 120.233 120.233 121.234 -1.001 18302 1259 1 3 . 1 1 71 71 MET HA H 71 3.850 3.850 4.006 -0.156 18302 1260 1 3 . 1 1 71 71 MET C C 71 178.145 178.145 177.185 0.960 18302 1261 1 3 . 1 1 71 71 MET CA C 71 58.768 58.768 58.376 0.392 18302 1262 1 3 . 1 1 71 71 MET CB C 71 31.233 31.233 32.364 -1.131 18302 1263 1 3 . 1 1 71 71 MET H H 71 7.034 7.034 7.998 -0.964 18302 1264 1 3 . 1 1 72 72 MET N N 72 118.621 118.621 114.639 3.982 18302 1265 1 3 . 1 1 72 72 MET HA H 72 3.800 3.800 4.375 -0.575 18302 1266 1 3 . 1 1 72 72 MET C C 72 178.930 178.930 177.028 1.902 18302 1267 1 3 . 1 1 72 72 MET CA C 72 56.500 56.500 56.521 -0.021 18302 1268 1 3 . 1 1 72 72 MET CB C 72 32.733 32.733 32.295 0.438 18302 1269 1 3 . 1 1 72 72 MET H H 72 7.839 7.839 7.647 0.192 18302 1270 1 3 . 1 1 73 73 ALA N N 73 120.567 120.567 121.524 -0.957 18302 1271 1 3 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.224 -0.089 18302 1272 1 3 . 1 1 73 73 ALA C C 73 179.332 179.332 178.926 0.406 18302 1273 1 3 . 1 1 73 73 ALA CA C 73 54.080 54.080 53.086 0.994 18302 1274 1 3 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.082 0.370 18302 1275 1 3 . 1 1 73 73 ALA H H 73 8.240 8.240 7.643 0.597 18302 1276 1 3 . 1 1 74 74 ARG N N 74 116.784 116.784 118.695 -1.911 18302 1277 1 3 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.086 0.051 18302 1278 1 3 . 1 1 74 74 ARG C C 74 177.511 177.511 176.983 0.528 18302 1279 1 3 . 1 1 74 74 ARG CA C 74 57.596 57.596 57.556 0.040 18302 1280 1 3 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.434 -0.028 18302 1281 1 3 . 1 1 74 74 ARG H H 74 7.382 7.382 7.804 -0.422 18302 1282 1 3 . 1 1 75 75 LYS N N 75 118.548 118.548 116.112 2.436 18302 1283 1 3 . 1 1 75 75 LYS HA H 75 4.306 4.306 3.935 0.371 18302 1284 1 3 . 1 1 75 75 LYS C C 75 176.937 176.937 176.284 0.653 18302 1285 1 3 . 1 1 75 75 LYS CA C 75 55.000 55.000 57.464 -2.464 18302 1286 1 3 . 1 1 75 75 LYS CB C 75 32.750 32.750 31.721 1.029 18302 1287 1 3 . 1 1 75 75 LYS H H 75 7.732 7.732 7.995 -0.263 18302 1288 1 3 . 1 1 76 76 MET N N 76 120.367 120.367 119.114 1.253 18302 1289 1 3 . 1 1 76 76 MET HA H 76 4.443 4.443 4.510 -0.067 18302 1290 1 3 . 1 1 76 76 MET C C 76 175.539 175.539 175.856 -0.317 18302 1291 1 3 . 1 1 76 76 MET CA C 76 55.500 55.500 56.628 -1.128 18302 1292 1 3 . 1 1 76 76 MET CB C 76 32.733 32.733 32.561 0.172 18302 1293 1 3 . 1 1 76 76 MET H H 76 7.863 7.863 8.431 -0.568 18302 1294 1 4 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.672 -0.056 18302 1295 1 4 . 1 1 2 2 ASP C C 2 175.975 175.975 175.987 -0.012 18302 1296 1 4 . 1 1 2 2 ASP CA C 2 54.666 54.666 53.967 0.699 18302 1297 1 4 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.973 0.215 18302 1298 1 4 . 1 1 3 3 GLN N N 3 119.995 119.995 117.681 2.314 18302 1299 1 4 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.409 -0.026 18302 1300 1 4 . 1 1 3 3 GLN C C 3 175.927 175.927 174.678 1.249 18302 1301 1 4 . 1 1 3 3 GLN CA C 3 52.653 52.653 54.458 -1.805 18302 1302 1 4 . 1 1 3 3 GLN CB C 3 29.234 29.234 30.091 -0.857 18302 1303 1 4 . 1 1 3 3 GLN H H 3 8.414 8.414 7.712 0.702 18302 1304 1 4 . 1 1 4 4 LEU N N 4 123.586 123.586 121.377 2.209 18302 1305 1 4 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.063 0.607 18302 1306 1 4 . 1 1 4 4 LEU C C 4 177.983 177.983 175.346 2.637 18302 1307 1 4 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.284 -0.618 18302 1308 1 4 . 1 1 4 4 LEU CB C 4 43.532 43.532 41.596 1.936 18302 1309 1 4 . 1 1 4 4 LEU H H 4 8.352 8.352 8.450 -0.098 18302 1310 1 4 . 1 1 5 5 THR N N 5 113.292 113.292 117.626 -4.334 18302 1311 1 4 . 1 1 5 5 THR HA H 5 4.470 4.470 4.382 0.088 18302 1312 1 4 . 1 1 5 5 THR C C 5 175.729 175.729 175.511 0.218 18302 1313 1 4 . 1 1 5 5 THR CA C 5 60.526 60.526 61.536 -1.010 18302 1314 1 4 . 1 1 5 5 THR CB C 5 71.541 71.541 70.036 1.505 18302 1315 1 4 . 1 1 5 5 THR H H 5 8.735 8.735 7.854 0.881 18302 1316 1 4 . 1 1 6 6 GLU N N 6 120.507 120.507 120.678 -0.171 18302 1317 1 4 . 1 1 6 6 GLU HA H 6 3.991 3.991 4.002 -0.011 18302 1318 1 4 . 1 1 6 6 GLU C C 6 179.816 179.816 178.503 1.313 18302 1319 1 4 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.089 -0.149 18302 1320 1 4 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.739 -0.505 18302 1321 1 4 . 1 1 6 6 GLU H H 6 9.060 9.060 8.824 0.236 18302 1322 1 4 . 1 1 7 7 GLU N N 7 120.000 120.000 119.106 0.894 18302 1323 1 4 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.935 0.150 18302 1324 1 4 . 1 1 7 7 GLU C C 7 179.588 179.588 178.823 0.765 18302 1325 1 4 . 1 1 7 7 GLU CA C 7 59.940 59.940 60.391 -0.451 18302 1326 1 4 . 1 1 7 7 GLU CB C 7 28.833 28.833 29.052 -0.219 18302 1327 1 4 . 1 1 7 7 GLU H H 7 8.770 8.770 8.634 0.136 18302 1328 1 4 . 1 1 8 8 GLN N N 8 120.798 120.798 117.719 3.079 18302 1329 1 4 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.132 -0.302 18302 1330 1 4 . 1 1 8 8 GLN C C 8 178.179 178.179 178.805 -0.626 18302 1331 1 4 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.027 -0.707 18302 1332 1 4 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.326 0.907 18302 1333 1 4 . 1 1 8 8 GLN H H 8 7.755 7.755 8.437 -0.681 18302 1334 1 4 . 1 1 9 9 ILE N N 9 119.028 119.028 116.507 2.521 18302 1335 1 4 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.952 -0.352 18302 1336 1 4 . 1 1 9 9 ILE C C 9 178.147 178.147 177.859 0.288 18302 1337 1 4 . 1 1 9 9 ILE CA C 9 66.620 66.620 65.058 1.562 18302 1338 1 4 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.180 0.472 18302 1339 1 4 . 1 1 9 9 ILE H H 9 8.253 8.253 7.524 0.729 18302 1340 1 4 . 1 1 10 10 ALA N N 10 120.587 120.587 122.538 -1.951 18302 1341 1 4 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.908 0.232 18302 1342 1 4 . 1 1 10 10 ALA C C 10 181.279 181.279 179.550 1.729 18302 1343 1 4 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.233 0.018 18302 1344 1 4 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.825 -0.325 18302 1345 1 4 . 1 1 10 10 ALA H H 10 8.051 8.051 8.478 -0.427 18302 1346 1 4 . 1 1 11 11 GLU N N 11 120.436 120.436 120.061 0.375 18302 1347 1 4 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.087 0.108 18302 1348 1 4 . 1 1 11 11 GLU C C 11 180.542 180.542 178.663 1.879 18302 1349 1 4 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.385 -0.031 18302 1350 1 4 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.866 -0.632 18302 1351 1 4 . 1 1 11 11 GLU H H 11 7.795 7.795 8.497 -0.702 18302 1352 1 4 . 1 1 12 12 PHE N N 12 120.654 120.654 120.098 0.556 18302 1353 1 4 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.549 0.501 18302 1354 1 4 . 1 1 12 12 PHE C C 12 179.155 179.155 177.343 1.812 18302 1355 1 4 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.916 -2.156 18302 1356 1 4 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.862 -1.863 18302 1357 1 4 . 1 1 12 12 PHE H H 12 8.541 8.541 8.700 -0.159 18302 1358 1 4 . 1 1 13 13 LYS N N 13 123.600 123.600 119.909 3.691 18302 1359 1 4 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.065 0.928 18302 1360 1 4 . 1 1 13 13 LYS C C 13 179.523 179.523 178.732 0.791 18302 1361 1 4 . 1 1 13 13 LYS CA C 13 59.940 59.940 58.759 1.181 18302 1362 1 4 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.493 0.240 18302 1363 1 4 . 1 1 13 13 LYS H H 13 9.279 9.279 7.755 1.524 18302 1364 1 4 . 1 1 14 14 GLU N N 14 121.150 121.150 118.703 2.447 18302 1365 1 4 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.963 0.158 18302 1366 1 4 . 1 1 14 14 GLU C C 14 179.859 179.859 178.841 1.018 18302 1367 1 4 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.216 0.138 18302 1368 1 4 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.288 0.445 18302 1369 1 4 . 1 1 14 14 GLU H H 14 8.036 8.036 7.945 0.091 18302 1370 1 4 . 1 1 15 15 ALA N N 15 122.010 122.010 122.154 -0.144 18302 1371 1 4 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.882 0.467 18302 1372 1 4 . 1 1 15 15 ALA C C 15 178.785 178.785 179.431 -0.646 18302 1373 1 4 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.999 0.253 18302 1374 1 4 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.397 -0.397 18302 1375 1 4 . 1 1 15 15 ALA H H 15 8.034 8.034 7.957 0.077 18302 1376 1 4 . 1 1 16 16 PHE N N 16 119.032 119.032 118.880 0.152 18302 1377 1 4 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.851 -0.551 18302 1378 1 4 . 1 1 16 16 PHE C C 16 178.534 178.534 177.179 1.355 18302 1379 1 4 . 1 1 16 16 PHE CA C 16 62.000 62.000 60.969 1.031 18302 1380 1 4 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.865 1.135 18302 1381 1 4 . 1 1 16 16 PHE H H 16 8.633 8.633 8.583 0.050 18302 1382 1 4 . 1 1 17 17 SER N N 17 113.786 113.786 114.437 -0.651 18302 1383 1 4 . 1 1 17 17 SER HA H 17 4.100 4.100 3.586 0.514 18302 1384 1 4 . 1 1 17 17 SER C C 17 174.639 174.639 176.074 -1.435 18302 1385 1 4 . 1 1 17 17 SER CA C 17 61.500 61.500 60.891 0.609 18302 1386 1 4 . 1 1 17 17 SER CB C 17 63.500 63.500 62.938 0.562 18302 1387 1 4 . 1 1 17 17 SER H H 17 8.215 8.215 8.101 0.114 18302 1388 1 4 . 1 1 18 18 LEU N N 18 120.113 120.113 119.606 0.507 18302 1389 1 4 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.754 0.126 18302 1390 1 4 . 1 1 18 18 LEU C C 18 177.151 177.151 178.700 -1.549 18302 1391 1 4 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.583 -1.083 18302 1392 1 4 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.560 -0.060 18302 1393 1 4 . 1 1 18 18 LEU H H 18 7.417 7.417 7.521 -0.104 18302 1394 1 4 . 1 1 19 19 PHE N N 19 112.070 112.070 117.576 -5.506 18302 1395 1 4 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.124 0.276 18302 1396 1 4 . 1 1 19 19 PHE C C 19 175.699 175.699 176.893 -1.194 18302 1397 1 4 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.794 -1.394 18302 1398 1 4 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.758 3.142 18302 1399 1 4 . 1 1 19 19 PHE H H 19 7.043 7.043 7.478 -0.435 18302 1400 1 4 . 1 1 20 20 ASP N N 20 116.223 116.223 119.481 -3.258 18302 1401 1 4 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.722 -0.122 18302 1402 1 4 . 1 1 20 20 ASP C C 20 177.625 177.625 177.264 0.361 18302 1403 1 4 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.082 -1.760 18302 1404 1 4 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.305 0.125 18302 1405 1 4 . 1 1 20 20 ASP H H 20 7.484 7.484 7.683 -0.199 18302 1406 1 4 . 1 1 21 21 LYS N N 21 124.544 124.544 122.523 2.021 18302 1407 1 4 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.916 0.084 18302 1408 1 4 . 1 1 21 21 LYS C C 21 178.513 178.513 177.749 0.764 18302 1409 1 4 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.303 -0.603 18302 1410 1 4 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.940 2.260 18302 1411 1 4 . 1 1 21 21 LYS H H 21 7.601 7.601 8.563 -0.963 18302 1412 1 4 . 1 1 22 22 ASP N N 22 114.320 114.320 115.134 -0.814 18302 1413 1 4 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.454 0.180 18302 1414 1 4 . 1 1 22 22 ASP C C 22 178.039 178.039 177.639 0.400 18302 1415 1 4 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.085 -1.177 18302 1416 1 4 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.855 0.161 18302 1417 1 4 . 1 1 22 22 ASP H H 22 8.241 8.241 8.204 0.037 18302 1418 1 4 . 1 1 23 23 GLY N N 23 109.478 109.478 109.185 0.293 18302 1419 1 4 . 1 1 23 23 GLY C C 23 175.427 175.427 174.855 0.572 18302 1420 1 4 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.910 1.137 18302 1421 1 4 . 1 1 23 23 GLY H H 23 7.680 7.680 8.126 -0.446 18302 1422 1 4 . 1 1 24 24 ASP N N 24 121.007 121.007 120.136 0.871 18302 1423 1 4 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.582 -0.082 18302 1424 1 4 . 1 1 24 24 ASP C C 24 177.660 177.660 177.738 -0.078 18302 1425 1 4 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.261 0.819 18302 1426 1 4 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.226 -0.624 18302 1427 1 4 . 1 1 24 24 ASP H H 24 8.523 8.523 8.459 0.064 18302 1428 1 4 . 1 1 25 25 GLY N N 25 112.961 112.961 109.514 3.447 18302 1429 1 4 . 1 1 25 25 GLY C C 25 174.198 174.198 173.664 0.534 18302 1430 1 4 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.547 -0.257 18302 1431 1 4 . 1 1 25 25 GLY H H 25 10.539 10.539 9.080 1.459 18302 1432 1 4 . 1 1 26 26 THR N N 26 112.593 112.593 109.657 2.936 18302 1433 1 4 . 1 1 26 26 THR HA H 26 5.560 5.560 4.740 0.820 18302 1434 1 4 . 1 1 26 26 THR C C 26 173.991 173.991 172.455 1.536 18302 1435 1 4 . 1 1 26 26 THR CA C 26 59.500 59.500 59.483 0.017 18302 1436 1 4 . 1 1 26 26 THR CB C 26 73.299 73.299 72.526 0.773 18302 1437 1 4 . 1 1 26 26 THR H H 26 8.304 8.304 8.598 -0.294 18302 1438 1 4 . 1 1 27 27 ILE N N 27 126.868 126.868 120.375 6.493 18302 1439 1 4 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.943 -0.193 18302 1440 1 4 . 1 1 27 27 ILE C C 27 176.338 176.338 175.570 0.768 18302 1441 1 4 . 1 1 27 27 ILE CA C 27 61.112 61.112 59.474 1.638 18302 1442 1 4 . 1 1 27 27 ILE CB C 27 40.000 40.000 41.691 -1.691 18302 1443 1 4 . 1 1 27 27 ILE H H 27 9.988 9.988 8.029 1.959 18302 1444 1 4 . 1 1 28 28 THR N N 28 116.237 116.237 120.607 -4.370 18302 1445 1 4 . 1 1 28 28 THR HA H 28 4.850 4.850 4.955 -0.105 18302 1446 1 4 . 1 1 28 28 THR C C 28 176.422 176.422 176.153 0.269 18302 1447 1 4 . 1 1 28 28 THR CA C 28 59.000 59.000 60.481 -1.481 18302 1448 1 4 . 1 1 28 28 THR CB C 28 72.713 72.713 71.995 0.718 18302 1449 1 4 . 1 1 28 28 THR H H 28 8.233 8.233 8.304 -0.071 18302 1450 1 4 . 1 1 29 29 THR N N 29 114.660 114.660 117.385 -2.725 18302 1451 1 4 . 1 1 29 29 THR HA H 29 3.800 3.800 3.913 -0.113 18302 1452 1 4 . 1 1 29 29 THR C C 29 177.772 177.772 176.382 1.390 18302 1453 1 4 . 1 1 29 29 THR CA C 29 66.767 66.767 66.368 0.399 18302 1454 1 4 . 1 1 29 29 THR CB C 29 68.611 68.611 68.474 0.137 18302 1455 1 4 . 1 1 29 29 THR H H 29 9.316 9.316 8.990 0.326 18302 1456 1 4 . 1 1 30 30 LYS N N 30 121.300 121.300 122.326 -1.026 18302 1457 1 4 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.136 -0.008 18302 1458 1 4 . 1 1 30 30 LYS C C 30 180.194 180.194 178.976 1.218 18302 1459 1 4 . 1 1 30 30 LYS CA C 30 59.354 59.354 59.874 -0.520 18302 1460 1 4 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.855 0.309 18302 1461 1 4 . 1 1 30 30 LYS H H 30 7.900 7.900 8.348 -0.448 18302 1462 1 4 . 1 1 31 31 GLU N N 31 122.184 122.184 119.724 2.460 18302 1463 1 4 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.021 -0.021 18302 1464 1 4 . 1 1 31 31 GLU C C 31 178.964 178.964 178.964 0.000 18302 1465 1 4 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.751 0.189 18302 1466 1 4 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.350 0.470 18302 1467 1 4 . 1 1 31 31 GLU H H 31 7.900 7.900 8.273 -0.373 18302 1468 1 4 . 1 1 32 32 LEU N N 32 120.000 120.000 120.493 -0.493 18302 1469 1 4 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.195 -0.045 18302 1470 1 4 . 1 1 32 32 LEU C C 32 179.190 179.190 178.791 0.399 18302 1471 1 4 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.005 0.177 18302 1472 1 4 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.622 0.738 18302 1473 1 4 . 1 1 32 32 LEU H H 32 8.600 8.600 8.242 0.358 18302 1474 1 4 . 1 1 33 33 GLY N N 33 105.412 105.412 105.953 -0.541 18302 1475 1 4 . 1 1 33 33 GLY C C 33 175.371 175.371 175.846 -0.475 18302 1476 1 4 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.726 1.080 18302 1477 1 4 . 1 1 33 33 GLY H H 33 8.730 8.730 8.633 0.097 18302 1478 1 4 . 1 1 34 34 THR N N 34 118.762 118.762 119.472 -0.710 18302 1479 1 4 . 1 1 34 34 THR HA H 34 3.950 3.950 3.941 0.009 18302 1480 1 4 . 1 1 34 34 THR C C 34 177.681 177.681 176.428 1.253 18302 1481 1 4 . 1 1 34 34 THR CA C 34 66.767 66.767 67.118 -0.351 18302 1482 1 4 . 1 1 34 34 THR CB C 34 69.197 69.197 68.740 0.457 18302 1483 1 4 . 1 1 34 34 THR H H 34 8.104 8.104 8.092 0.012 18302 1484 1 4 . 1 1 35 35 VAL N N 35 122.943 122.943 122.280 0.663 18302 1485 1 4 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.801 -0.131 18302 1486 1 4 . 1 1 35 35 VAL C C 35 179.691 179.691 178.573 1.118 18302 1487 1 4 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.615 -0.048 18302 1488 1 4 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.248 0.585 18302 1489 1 4 . 1 1 35 35 VAL H H 35 8.230 8.230 7.709 0.521 18302 1490 1 4 . 1 1 36 36 MET N N 36 118.074 118.074 118.226 -0.152 18302 1491 1 4 . 1 1 36 36 MET HA H 36 4.124 4.124 4.101 0.023 18302 1492 1 4 . 1 1 36 36 MET C C 36 179.518 179.518 178.338 1.180 18302 1493 1 4 . 1 1 36 36 MET CA C 36 58.400 58.400 59.651 -1.251 18302 1494 1 4 . 1 1 36 36 MET CB C 36 31.233 31.233 32.342 -1.109 18302 1495 1 4 . 1 1 36 36 MET H H 36 8.746 8.746 8.438 0.308 18302 1496 1 4 . 1 1 37 37 ARG N N 37 118.931 118.931 120.266 -1.335 18302 1497 1 4 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.091 0.759 18302 1498 1 4 . 1 1 37 37 ARG C C 37 181.608 181.608 179.377 2.231 18302 1499 1 4 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.457 -0.103 18302 1500 1 4 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.560 -0.740 18302 1501 1 4 . 1 1 37 37 ARG H H 37 8.559 8.559 8.594 -0.035 18302 1502 1 4 . 1 1 38 38 SER N N 38 119.164 119.164 117.146 2.018 18302 1503 1 4 . 1 1 38 38 SER HA H 38 4.445 4.445 4.220 0.225 18302 1504 1 4 . 1 1 38 38 SER C C 38 175.212 175.212 175.858 -0.646 18302 1505 1 4 . 1 1 38 38 SER CA C 38 61.698 61.698 61.353 0.345 18302 1506 1 4 . 1 1 38 38 SER CB C 38 62.733 62.733 62.684 0.049 18302 1507 1 4 . 1 1 38 38 SER H H 38 8.075 8.075 8.553 -0.478 18302 1508 1 4 . 1 1 39 39 LEU N N 39 120.667 120.667 120.347 0.320 18302 1509 1 4 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.404 -0.174 18302 1510 1 4 . 1 1 39 39 LEU C C 39 177.740 177.740 177.603 0.137 18302 1511 1 4 . 1 1 39 39 LEU CA C 39 54.303 54.303 54.969 -0.666 18302 1512 1 4 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.112 -0.338 18302 1513 1 4 . 1 1 39 39 LEU H H 39 7.419 7.419 7.277 0.142 18302 1514 1 4 . 1 1 40 40 GLY N N 40 107.175 107.175 106.558 0.617 18302 1515 1 4 . 1 1 40 40 GLY C C 40 174.723 174.723 174.181 0.542 18302 1516 1 4 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.640 0.860 18302 1517 1 4 . 1 1 40 40 GLY H H 40 7.900 7.900 8.078 -0.178 18302 1518 1 4 . 1 1 41 41 GLN N N 41 117.918 117.918 119.887 -1.969 18302 1519 1 4 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.302 -0.172 18302 1520 1 4 . 1 1 41 41 GLN C C 41 174.428 174.428 176.342 -1.914 18302 1521 1 4 . 1 1 41 41 GLN CA C 41 55.000 55.000 55.280 -0.280 18302 1522 1 4 . 1 1 41 41 GLN CB C 41 29.820 29.820 29.387 0.433 18302 1523 1 4 . 1 1 41 41 GLN H H 41 7.746 7.746 7.681 0.065 18302 1524 1 4 . 1 1 42 42 ASN N N 42 119.000 119.000 123.542 -4.542 18302 1525 1 4 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.580 0.020 18302 1526 1 4 . 1 1 42 42 ASN H H 42 8.250 8.250 8.647 -0.397 18302 1527 1 4 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.376 0.824 18302 1528 1 4 . 1 1 43 43 PRO C C 43 177.909 177.909 176.037 1.872 18302 1529 1 4 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.798 -1.514 18302 1530 1 4 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.933 -0.200 18302 1531 1 4 . 1 1 44 44 THR N N 44 113.390 113.390 118.734 -5.344 18302 1532 1 4 . 1 1 44 44 THR HA H 44 4.450 4.450 4.435 0.015 18302 1533 1 4 . 1 1 44 44 THR C C 44 175.483 175.483 175.106 0.377 18302 1534 1 4 . 1 1 44 44 THR CA C 44 60.526 60.526 62.470 -1.944 18302 1535 1 4 . 1 1 44 44 THR CB C 44 71.541 71.541 69.016 2.525 18302 1536 1 4 . 1 1 44 44 THR H H 44 8.982 8.982 8.268 0.714 18302 1537 1 4 . 1 1 45 45 GLU N N 45 120.632 120.632 124.143 -3.511 18302 1538 1 4 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.019 -0.069 18302 1539 1 4 . 1 1 45 45 GLU C C 45 179.348 179.348 176.905 2.443 18302 1540 1 4 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.334 -0.334 18302 1541 1 4 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.566 0.167 18302 1542 1 4 . 1 1 45 45 GLU H H 45 8.854 8.854 8.668 0.186 18302 1543 1 4 . 1 1 46 46 THR N N 46 121.035 121.035 121.080 -0.045 18302 1544 1 4 . 1 1 46 46 THR HA H 46 4.121 4.121 4.556 -0.435 18302 1545 1 4 . 1 1 46 46 THR C C 46 175.463 175.463 176.951 -1.488 18302 1546 1 4 . 1 1 46 46 THR CA C 46 62.324 62.324 64.598 -2.274 18302 1547 1 4 . 1 1 46 46 THR CB C 46 70.088 70.088 68.270 1.817 18302 1548 1 4 . 1 1 46 46 THR H H 46 8.295 8.295 8.308 -0.013 18302 1549 1 4 . 1 1 47 47 GLY N N 47 111.232 111.232 108.208 3.024 18302 1550 1 4 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.039 -0.102 18302 1551 1 4 . 1 1 47 47 GLY C C 47 174.998 174.998 177.466 -2.468 18302 1552 1 4 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.860 -1.939 18302 1553 1 4 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.231 0.589 18302 1554 1 4 . 1 1 47 47 GLY H H 47 8.720 8.720 7.595 1.125 18302 1555 1 4 . 1 1 48 48 ALA N N 48 124.417 124.417 121.545 2.872 18302 1556 1 4 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.978 0.304 18302 1557 1 4 . 1 1 48 48 ALA C C 48 177.866 177.866 179.801 -1.935 18302 1558 1 4 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.191 -1.366 18302 1559 1 4 . 1 1 48 48 ALA CB C 48 19.387 19.387 17.824 1.563 18302 1560 1 4 . 1 1 48 48 ALA H H 48 8.365 8.365 7.699 0.666 18302 1561 1 4 . 1 1 49 49 ALA N N 49 122.129 122.129 121.439 0.690 18302 1562 1 4 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.825 0.421 18302 1563 1 4 . 1 1 49 49 ALA C C 49 178.647 178.647 180.042 -1.395 18302 1564 1 4 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.663 -2.492 18302 1565 1 4 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.548 -2.399 18302 1566 1 4 . 1 1 49 49 ALA H H 49 8.318 8.318 7.848 0.470 18302 1567 1 4 . 1 1 50 50 LEU N N 50 120.817 120.817 120.706 0.111 18302 1568 1 4 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.179 -0.054 18302 1569 1 4 . 1 1 50 50 LEU C C 50 177.367 177.367 179.041 -1.674 18302 1570 1 4 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.318 -1.591 18302 1571 1 4 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.109 -0.009 18302 1572 1 4 . 1 1 50 50 LEU H H 50 8.126 8.126 7.645 0.481 18302 1573 1 4 . 1 1 51 51 SER N N 51 116.273 116.273 115.331 0.942 18302 1574 1 4 . 1 1 51 51 SER HA H 51 4.057 4.057 4.068 -0.011 18302 1575 1 4 . 1 1 51 51 SER C C 51 175.939 175.939 177.023 -1.084 18302 1576 1 4 . 1 1 51 51 SER CA C 51 61.429 61.429 62.555 -1.126 18302 1577 1 4 . 1 1 51 51 SER CB C 51 28.648 28.648 32.969 -4.321 18302 1578 1 4 . 1 1 51 51 SER H H 51 7.917 7.917 7.786 0.131 18302 1579 1 4 . 1 1 52 52 TRP N N 52 123.132 123.132 120.603 2.529 18302 1580 1 4 . 1 1 52 52 TRP HA H 52 4.597 4.597 3.983 0.614 18302 1581 1 4 . 1 1 52 52 TRP C C 52 178.377 178.377 177.854 0.523 18302 1582 1 4 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.930 -0.265 18302 1583 1 4 . 1 1 52 52 TRP CB C 52 29.388 29.388 28.963 0.425 18302 1584 1 4 . 1 1 52 52 TRP H H 52 8.732 8.732 8.887 -0.155 18302 1585 1 4 . 1 1 53 53 GLN N N 53 117.115 117.115 118.018 -0.903 18302 1586 1 4 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.946 0.023 18302 1587 1 4 . 1 1 53 53 GLN C C 53 177.779 177.779 177.425 0.354 18302 1588 1 4 . 1 1 53 53 GLN CA C 53 59.332 59.332 59.217 0.115 18302 1589 1 4 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.571 -0.421 18302 1590 1 4 . 1 1 53 53 GLN H H 53 8.480 8.480 7.990 0.490 18302 1591 1 4 . 1 1 54 54 ALA N N 54 120.557 120.557 120.521 0.036 18302 1592 1 4 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.246 0.022 18302 1593 1 4 . 1 1 54 54 ALA C C 54 181.023 181.023 178.796 2.227 18302 1594 1 4 . 1 1 54 54 ALA CA C 54 54.640 54.640 53.326 1.314 18302 1595 1 4 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.732 -1.123 18302 1596 1 4 . 1 1 54 54 ALA H H 54 8.003 8.003 7.327 0.676 18302 1597 1 4 . 1 1 55 55 ALA N N 55 122.442 122.442 121.326 1.116 18302 1598 1 4 . 1 1 55 55 ALA HA H 55 4.117 4.117 3.988 0.129 18302 1599 1 4 . 1 1 55 55 ALA C C 55 179.069 179.069 177.959 1.110 18302 1600 1 4 . 1 1 55 55 ALA CA C 55 55.478 55.478 55.058 0.420 18302 1601 1 4 . 1 1 55 55 ALA CB C 55 18.235 18.235 19.290 -1.055 18302 1602 1 4 . 1 1 55 55 ALA H H 55 8.283 8.283 7.810 0.473 18302 1603 1 4 . 1 1 56 56 ILE N N 56 119.035 119.035 119.997 -0.962 18302 1604 1 4 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.874 -0.063 18302 1605 1 4 . 1 1 56 56 ILE C C 56 177.968 177.968 176.789 1.179 18302 1606 1 4 . 1 1 56 56 ILE CA C 56 65.950 65.950 62.890 3.060 18302 1607 1 4 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.828 -0.513 18302 1608 1 4 . 1 1 56 56 ILE H H 56 8.682 8.682 7.658 1.024 18302 1609 1 4 . 1 1 57 57 ASP N N 57 119.160 119.160 126.819 -7.659 18302 1610 1 4 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.484 -0.084 18302 1611 1 4 . 1 1 57 57 ASP C C 57 179.117 179.117 177.088 2.029 18302 1612 1 4 . 1 1 57 57 ASP CA C 57 53.690 53.690 55.963 -2.273 18302 1613 1 4 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.206 -0.567 18302 1614 1 4 . 1 1 57 57 ASP H H 57 8.393 8.393 8.973 -0.580 18302 1615 1 4 . 1 1 58 58 ALA N N 58 122.077 122.077 118.304 3.773 18302 1616 1 4 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.404 0.096 18302 1617 1 4 . 1 1 58 58 ALA C C 58 180.605 180.605 177.849 2.756 18302 1618 1 4 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.817 3.151 18302 1619 1 4 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.721 -1.187 18302 1620 1 4 . 1 1 58 58 ALA H H 58 8.153 8.153 7.824 0.329 18302 1621 1 4 . 1 1 59 59 ALA N N 59 123.120 123.120 122.259 0.861 18302 1622 1 4 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.938 0.108 18302 1623 1 4 . 1 1 59 59 ALA C C 59 180.385 180.385 177.809 2.576 18302 1624 1 4 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.747 2.182 18302 1625 1 4 . 1 1 59 59 ALA H H 59 8.807 8.807 8.221 0.586 18302 1626 1 4 . 1 1 60 60 ARG N N 60 119.705 119.705 120.493 -0.788 18302 1627 1 4 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.212 -0.224 18302 1628 1 4 . 1 1 60 60 ARG C C 60 179.348 179.348 177.447 1.901 18302 1629 1 4 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.714 2.894 18302 1630 1 4 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.577 -0.282 18302 1631 1 4 . 1 1 60 60 ARG H H 60 8.674 8.674 8.913 -0.239 18302 1632 1 4 . 1 1 61 61 GLN N N 61 119.132 119.132 117.735 1.397 18302 1633 1 4 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.962 0.134 18302 1634 1 4 . 1 1 61 61 GLN C C 61 177.615 177.615 174.616 2.999 18302 1635 1 4 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.813 2.417 18302 1636 1 4 . 1 1 61 61 GLN H H 61 8.053 8.053 8.641 -0.588 18302 1637 1 4 . 1 1 62 62 ALA N N 62 120.910 120.910 118.243 2.667 18302 1638 1 4 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.361 -1.184 18302 1639 1 4 . 1 1 62 62 ALA C C 62 179.311 179.311 175.939 3.372 18302 1640 1 4 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.173 4.774 18302 1641 1 4 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.402 -3.866 18302 1642 1 4 . 1 1 62 62 ALA H H 62 7.920 7.920 8.601 -0.681 18302 1643 1 4 . 1 1 63 63 LYS N N 63 117.863 117.863 121.934 -4.071 18302 1644 1 4 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.553 -0.397 18302 1645 1 4 . 1 1 63 63 LYS C C 63 178.324 178.324 175.862 2.462 18302 1646 1 4 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.356 4.531 18302 1647 1 4 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.339 -0.559 18302 1648 1 4 . 1 1 63 63 LYS H H 63 7.680 7.680 8.515 -0.835 18302 1649 1 4 . 1 1 64 64 LEU N N 64 119.697 119.697 128.486 -8.789 18302 1650 1 4 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.175 0.018 18302 1651 1 4 . 1 1 64 64 LEU C C 64 178.459 178.459 178.374 0.085 18302 1652 1 4 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.269 2.174 18302 1653 1 4 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.042 -0.881 18302 1654 1 4 . 1 1 64 64 LEU H H 64 7.895 7.895 8.437 -0.542 18302 1655 1 4 . 1 1 65 65 MET N N 65 117.184 117.184 118.124 -0.940 18302 1656 1 4 . 1 1 65 65 MET HA H 65 4.472 4.472 4.428 0.044 18302 1657 1 4 . 1 1 65 65 MET C C 65 177.053 177.053 176.212 0.841 18302 1658 1 4 . 1 1 65 65 MET CA C 65 55.889 55.889 60.749 -4.861 18302 1659 1 4 . 1 1 65 65 MET CB C 65 33.010 33.010 29.524 3.486 18302 1660 1 4 . 1 1 65 65 MET H H 65 7.958 7.958 8.148 -0.190 18302 1661 1 4 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.111 -0.261 18302 1662 1 4 . 1 1 66 66 GLY C C 66 174.137 174.137 176.189 -2.052 18302 1663 1 4 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.916 -2.326 18302 1664 1 4 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.932 -0.099 18302 1665 1 4 . 1 1 67 67 SER N N 67 115.622 115.622 113.462 2.160 18302 1666 1 4 . 1 1 67 67 SER HA H 67 4.472 4.472 4.151 0.321 18302 1667 1 4 . 1 1 67 67 SER C C 67 173.300 173.300 176.878 -3.578 18302 1668 1 4 . 1 1 67 67 SER CA C 67 58.182 58.182 61.327 -3.145 18302 1669 1 4 . 1 1 67 67 SER CB C 67 64.389 64.389 62.345 2.044 18302 1670 1 4 . 1 1 67 67 SER H H 67 8.127 8.127 8.497 -0.370 18302 1671 1 4 . 1 1 68 68 ALA N N 68 131.351 131.351 123.280 8.071 18302 1672 1 4 . 1 1 68 68 ALA HA H 68 4.200 4.200 4.001 0.199 18302 1673 1 4 . 1 1 68 68 ALA C C 68 176.792 176.792 177.595 -0.803 18302 1674 1 4 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.195 -1.079 18302 1675 1 4 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.385 0.863 18302 1676 1 4 . 1 1 68 68 ALA H H 68 7.984 7.984 7.576 0.408 18302 1677 1 4 . 1 1 69 69 LEU N N 69 119.986 119.986 118.931 1.055 18302 1678 1 4 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.999 -0.649 18302 1679 1 4 . 1 1 69 69 LEU C C 69 178.468 178.468 178.598 -0.130 18302 1680 1 4 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.937 -0.018 18302 1681 1 4 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.535 -0.535 18302 1682 1 4 . 1 1 69 69 LEU H H 69 9.062 9.062 8.078 0.984 18302 1683 1 4 . 1 1 70 70 THR N N 70 114.834 114.834 116.105 -1.271 18302 1684 1 4 . 1 1 70 70 THR HA H 70 4.100 4.100 4.019 0.081 18302 1685 1 4 . 1 1 70 70 THR C C 70 176.391 176.391 176.347 0.044 18302 1686 1 4 . 1 1 70 70 THR CA C 70 61.833 61.833 66.249 -4.416 18302 1687 1 4 . 1 1 70 70 THR CB C 70 68.267 68.267 68.963 -0.696 18302 1688 1 4 . 1 1 70 70 THR H H 70 7.710 7.710 7.798 -0.088 18302 1689 1 4 . 1 1 71 71 MET N N 71 120.233 120.233 120.267 -0.034 18302 1690 1 4 . 1 1 71 71 MET HA H 71 3.850 3.850 4.036 -0.186 18302 1691 1 4 . 1 1 71 71 MET C C 71 178.145 178.145 177.194 0.951 18302 1692 1 4 . 1 1 71 71 MET CA C 71 58.768 58.768 58.320 0.448 18302 1693 1 4 . 1 1 71 71 MET CB C 71 31.233 31.233 32.551 -1.318 18302 1694 1 4 . 1 1 71 71 MET H H 71 7.034 7.034 7.980 -0.946 18302 1695 1 4 . 1 1 72 72 MET N N 72 118.621 118.621 114.010 4.611 18302 1696 1 4 . 1 1 72 72 MET HA H 72 3.800 3.800 4.410 -0.610 18302 1697 1 4 . 1 1 72 72 MET C C 72 178.930 178.930 177.867 1.063 18302 1698 1 4 . 1 1 72 72 MET CA C 72 56.500 56.500 56.447 0.053 18302 1699 1 4 . 1 1 72 72 MET CB C 72 32.733 32.733 32.404 0.329 18302 1700 1 4 . 1 1 72 72 MET H H 72 7.839 7.839 7.633 0.206 18302 1701 1 4 . 1 1 73 73 ALA N N 73 120.567 120.567 124.250 -3.683 18302 1702 1 4 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.320 -0.185 18302 1703 1 4 . 1 1 73 73 ALA C C 73 179.332 179.332 179.241 0.091 18302 1704 1 4 . 1 1 73 73 ALA CA C 73 54.080 54.080 54.429 -0.349 18302 1705 1 4 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.468 -0.015 18302 1706 1 4 . 1 1 73 73 ALA H H 73 8.240 8.240 7.769 0.471 18302 1707 1 4 . 1 1 74 74 ARG N N 74 116.784 116.784 116.525 0.259 18302 1708 1 4 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.114 0.023 18302 1709 1 4 . 1 1 74 74 ARG C C 74 177.511 177.511 176.713 0.798 18302 1710 1 4 . 1 1 74 74 ARG CA C 74 57.596 57.596 55.779 1.817 18302 1711 1 4 . 1 1 74 74 ARG CB C 74 30.406 30.406 29.126 1.280 18302 1712 1 4 . 1 1 74 74 ARG H H 74 7.382 7.382 7.488 -0.106 18302 1713 1 4 . 1 1 75 75 LYS N N 75 118.548 118.548 121.347 -2.799 18302 1714 1 4 . 1 1 75 75 LYS HA H 75 4.306 4.306 3.963 0.343 18302 1715 1 4 . 1 1 75 75 LYS C C 75 176.937 176.937 176.884 0.053 18302 1716 1 4 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.887 -1.887 18302 1717 1 4 . 1 1 75 75 LYS CB C 75 32.750 32.750 33.468 -0.718 18302 1718 1 4 . 1 1 75 75 LYS H H 75 7.732 7.732 7.517 0.215 18302 1719 1 4 . 1 1 76 76 MET N N 76 120.367 120.367 119.426 0.941 18302 1720 1 4 . 1 1 76 76 MET HA H 76 4.443 4.443 4.291 0.152 18302 1721 1 4 . 1 1 76 76 MET C C 76 175.539 175.539 176.150 -0.611 18302 1722 1 4 . 1 1 76 76 MET CA C 76 55.500 55.500 56.851 -1.351 18302 1723 1 4 . 1 1 76 76 MET CB C 76 32.733 32.733 32.619 0.114 18302 1724 1 4 . 1 1 76 76 MET H H 76 7.863 7.863 8.332 -0.469 18302 1725 1 5 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.886 -0.270 18302 1726 1 5 . 1 1 2 2 ASP C C 2 175.975 175.975 174.987 0.988 18302 1727 1 5 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.328 0.338 18302 1728 1 5 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.326 0.862 18302 1729 1 5 . 1 1 3 3 GLN N N 3 119.995 119.995 123.031 -3.036 18302 1730 1 5 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.391 -0.008 18302 1731 1 5 . 1 1 3 3 GLN C C 3 175.927 175.927 174.829 1.098 18302 1732 1 5 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.626 -2.973 18302 1733 1 5 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.940 -0.706 18302 1734 1 5 . 1 1 3 3 GLN H H 3 8.414 8.414 8.320 0.094 18302 1735 1 5 . 1 1 4 4 LEU N N 4 123.586 123.586 120.958 2.628 18302 1736 1 5 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.017 0.653 18302 1737 1 5 . 1 1 4 4 LEU C C 4 177.983 177.983 174.981 3.002 18302 1738 1 5 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.916 -1.250 18302 1739 1 5 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.341 1.191 18302 1740 1 5 . 1 1 4 4 LEU H H 4 8.352 8.352 8.530 -0.178 18302 1741 1 5 . 1 1 5 5 THR N N 5 113.292 113.292 111.210 2.082 18302 1742 1 5 . 1 1 5 5 THR HA H 5 4.470 4.470 4.500 -0.029 18302 1743 1 5 . 1 1 5 5 THR C C 5 175.729 175.729 174.208 1.521 18302 1744 1 5 . 1 1 5 5 THR CA C 5 60.526 60.526 61.462 -0.936 18302 1745 1 5 . 1 1 5 5 THR CB C 5 71.541 71.541 70.776 0.765 18302 1746 1 5 . 1 1 5 5 THR H H 5 8.735 8.735 7.942 0.793 18302 1747 1 5 . 1 1 6 6 GLU N N 6 120.507 120.507 122.835 -2.328 18302 1748 1 5 . 1 1 6 6 GLU HA H 6 3.991 3.991 4.011 -0.020 18302 1749 1 5 . 1 1 6 6 GLU C C 6 179.816 179.816 178.197 1.619 18302 1750 1 5 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.179 -0.239 18302 1751 1 5 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.609 -0.375 18302 1752 1 5 . 1 1 6 6 GLU H H 6 9.060 9.060 8.760 0.300 18302 1753 1 5 . 1 1 7 7 GLU N N 7 120.000 120.000 118.029 1.971 18302 1754 1 5 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.854 0.231 18302 1755 1 5 . 1 1 7 7 GLU C C 7 179.588 179.588 178.521 1.067 18302 1756 1 5 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.710 0.230 18302 1757 1 5 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.285 0.548 18302 1758 1 5 . 1 1 7 7 GLU H H 7 8.770 8.770 8.655 0.115 18302 1759 1 5 . 1 1 8 8 GLN N N 8 120.798 120.798 118.317 2.481 18302 1760 1 5 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.100 -0.270 18302 1761 1 5 . 1 1 8 8 GLN C C 8 178.179 178.179 178.787 -0.608 18302 1762 1 5 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.894 -0.574 18302 1763 1 5 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.136 1.097 18302 1764 1 5 . 1 1 8 8 GLN H H 8 7.755 7.755 8.470 -0.715 18302 1765 1 5 . 1 1 9 9 ILE N N 9 119.028 119.028 115.906 3.122 18302 1766 1 5 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.971 -0.371 18302 1767 1 5 . 1 1 9 9 ILE C C 9 178.147 178.147 177.794 0.353 18302 1768 1 5 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.894 1.726 18302 1769 1 5 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.135 0.517 18302 1770 1 5 . 1 1 9 9 ILE H H 9 8.253 8.253 7.493 0.760 18302 1771 1 5 . 1 1 10 10 ALA N N 10 120.587 120.587 123.181 -2.594 18302 1772 1 5 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.827 0.313 18302 1773 1 5 . 1 1 10 10 ALA C C 10 181.279 181.279 179.662 1.617 18302 1774 1 5 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.524 -0.272 18302 1775 1 5 . 1 1 10 10 ALA CB C 10 17.500 17.500 18.183 -0.683 18302 1776 1 5 . 1 1 10 10 ALA H H 10 8.051 8.051 7.890 0.161 18302 1777 1 5 . 1 1 11 11 GLU N N 11 120.436 120.436 119.335 1.101 18302 1778 1 5 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.082 0.113 18302 1779 1 5 . 1 1 11 11 GLU C C 11 180.542 180.542 179.118 1.424 18302 1780 1 5 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.327 0.027 18302 1781 1 5 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.291 -0.057 18302 1782 1 5 . 1 1 11 11 GLU H H 11 7.795 7.795 8.604 -0.809 18302 1783 1 5 . 1 1 12 12 PHE N N 12 120.654 120.654 120.663 -0.009 18302 1784 1 5 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.411 0.639 18302 1785 1 5 . 1 1 12 12 PHE C C 12 179.155 179.155 177.249 1.906 18302 1786 1 5 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.888 -2.128 18302 1787 1 5 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.743 -1.743 18302 1788 1 5 . 1 1 12 12 PHE H H 12 8.541 8.541 8.447 0.094 18302 1789 1 5 . 1 1 13 13 LYS N N 13 123.600 123.600 119.868 3.732 18302 1790 1 5 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.255 0.738 18302 1791 1 5 . 1 1 13 13 LYS C C 13 179.523 179.523 178.763 0.760 18302 1792 1 5 . 1 1 13 13 LYS CA C 13 59.940 59.940 58.987 0.953 18302 1793 1 5 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.692 0.041 18302 1794 1 5 . 1 1 13 13 LYS H H 13 9.279 9.279 7.585 1.694 18302 1795 1 5 . 1 1 14 14 GLU N N 14 121.150 121.150 119.413 1.737 18302 1796 1 5 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.971 0.150 18302 1797 1 5 . 1 1 14 14 GLU C C 14 179.859 179.859 178.750 1.109 18302 1798 1 5 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.302 0.052 18302 1799 1 5 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.491 0.242 18302 1800 1 5 . 1 1 14 14 GLU H H 14 8.036 8.036 8.217 -0.181 18302 1801 1 5 . 1 1 15 15 ALA N N 15 122.010 122.010 121.786 0.224 18302 1802 1 5 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.843 0.506 18302 1803 1 5 . 1 1 15 15 ALA C C 15 178.785 178.785 179.200 -0.415 18302 1804 1 5 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.947 0.305 18302 1805 1 5 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.366 -0.365 18302 1806 1 5 . 1 1 15 15 ALA H H 15 8.034 8.034 8.290 -0.256 18302 1807 1 5 . 1 1 16 16 PHE N N 16 119.032 119.032 118.300 0.732 18302 1808 1 5 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.786 -0.486 18302 1809 1 5 . 1 1 16 16 PHE C C 16 178.534 178.534 176.964 1.570 18302 1810 1 5 . 1 1 16 16 PHE CA C 16 62.000 62.000 60.736 1.264 18302 1811 1 5 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.709 1.291 18302 1812 1 5 . 1 1 16 16 PHE H H 16 8.633 8.633 8.215 0.418 18302 1813 1 5 . 1 1 17 17 SER N N 17 113.786 113.786 114.655 -0.869 18302 1814 1 5 . 1 1 17 17 SER HA H 17 4.100 4.100 3.514 0.586 18302 1815 1 5 . 1 1 17 17 SER C C 17 174.639 174.639 175.533 -0.894 18302 1816 1 5 . 1 1 17 17 SER CA C 17 61.500 61.500 62.198 -0.698 18302 1817 1 5 . 1 1 17 17 SER CB C 17 63.500 63.500 62.982 0.518 18302 1818 1 5 . 1 1 17 17 SER H H 17 8.215 8.215 8.007 0.208 18302 1819 1 5 . 1 1 18 18 LEU N N 18 120.113 120.113 119.252 0.861 18302 1820 1 5 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.786 0.094 18302 1821 1 5 . 1 1 18 18 LEU C C 18 177.151 177.151 178.351 -1.200 18302 1822 1 5 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.303 -0.803 18302 1823 1 5 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.620 -0.120 18302 1824 1 5 . 1 1 18 18 LEU H H 18 7.417 7.417 7.200 0.217 18302 1825 1 5 . 1 1 19 19 PHE N N 19 112.070 112.070 117.300 -5.230 18302 1826 1 5 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.165 0.235 18302 1827 1 5 . 1 1 19 19 PHE C C 19 175.699 175.699 176.995 -1.296 18302 1828 1 5 . 1 1 19 19 PHE CA C 19 58.400 58.400 58.967 -0.567 18302 1829 1 5 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.688 3.212 18302 1830 1 5 . 1 1 19 19 PHE H H 19 7.043 7.043 7.156 -0.113 18302 1831 1 5 . 1 1 20 20 ASP N N 20 116.223 116.223 119.632 -3.409 18302 1832 1 5 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.413 0.187 18302 1833 1 5 . 1 1 20 20 ASP C C 20 177.625 177.625 177.646 -0.021 18302 1834 1 5 . 1 1 20 20 ASP CA C 20 52.322 52.322 53.740 -1.418 18302 1835 1 5 . 1 1 20 20 ASP CB C 20 39.430 39.430 38.673 0.757 18302 1836 1 5 . 1 1 20 20 ASP H H 20 7.484 7.484 7.926 -0.442 18302 1837 1 5 . 1 1 21 21 LYS N N 21 124.544 124.544 123.334 1.210 18302 1838 1 5 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.920 0.080 18302 1839 1 5 . 1 1 21 21 LYS C C 21 178.513 178.513 177.956 0.557 18302 1840 1 5 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.367 -0.667 18302 1841 1 5 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.929 2.271 18302 1842 1 5 . 1 1 21 21 LYS H H 21 7.601 7.601 8.722 -1.121 18302 1843 1 5 . 1 1 22 22 ASP N N 22 114.320 114.320 117.006 -2.686 18302 1844 1 5 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.452 0.182 18302 1845 1 5 . 1 1 22 22 ASP C C 22 178.039 178.039 177.365 0.674 18302 1846 1 5 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.849 -1.941 18302 1847 1 5 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.489 -0.473 18302 1848 1 5 . 1 1 22 22 ASP H H 22 8.241 8.241 8.449 -0.208 18302 1849 1 5 . 1 1 23 23 GLY N N 23 109.478 109.478 108.303 1.175 18302 1850 1 5 . 1 1 23 23 GLY C C 23 175.427 175.427 174.755 0.672 18302 1851 1 5 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.162 0.886 18302 1852 1 5 . 1 1 23 23 GLY H H 23 7.680 7.680 8.139 -0.459 18302 1853 1 5 . 1 1 24 24 ASP N N 24 121.007 121.007 119.833 1.174 18302 1854 1 5 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.572 -0.072 18302 1855 1 5 . 1 1 24 24 ASP C C 24 177.660 177.660 177.697 -0.037 18302 1856 1 5 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.484 0.596 18302 1857 1 5 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.581 -0.979 18302 1858 1 5 . 1 1 24 24 ASP H H 24 8.523 8.523 8.033 0.490 18302 1859 1 5 . 1 1 25 25 GLY N N 25 112.961 112.961 109.142 3.819 18302 1860 1 5 . 1 1 25 25 GLY C C 25 174.198 174.198 173.491 0.707 18302 1861 1 5 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.224 0.066 18302 1862 1 5 . 1 1 25 25 GLY H H 25 10.539 10.539 9.005 1.534 18302 1863 1 5 . 1 1 26 26 THR N N 26 112.593 112.593 111.606 0.987 18302 1864 1 5 . 1 1 26 26 THR HA H 26 5.560 5.560 5.142 0.418 18302 1865 1 5 . 1 1 26 26 THR C C 26 173.991 173.991 173.228 0.763 18302 1866 1 5 . 1 1 26 26 THR CA C 26 59.500 59.500 60.024 -0.524 18302 1867 1 5 . 1 1 26 26 THR CB C 26 73.299 73.299 72.520 0.779 18302 1868 1 5 . 1 1 26 26 THR H H 26 8.304 8.304 8.612 -0.308 18302 1869 1 5 . 1 1 27 27 ILE N N 27 126.868 126.868 123.649 3.219 18302 1870 1 5 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.590 0.160 18302 1871 1 5 . 1 1 27 27 ILE C C 27 176.338 176.338 175.588 0.750 18302 1872 1 5 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.608 0.504 18302 1873 1 5 . 1 1 27 27 ILE CB C 27 40.000 40.000 39.414 0.586 18302 1874 1 5 . 1 1 27 27 ILE H H 27 9.988 9.988 8.631 1.357 18302 1875 1 5 . 1 1 28 28 THR N N 28 116.237 116.237 122.525 -6.288 18302 1876 1 5 . 1 1 28 28 THR HA H 28 4.850 4.850 4.955 -0.105 18302 1877 1 5 . 1 1 28 28 THR C C 28 176.422 176.422 175.993 0.429 18302 1878 1 5 . 1 1 28 28 THR CA C 28 59.000 59.000 60.912 -1.912 18302 1879 1 5 . 1 1 28 28 THR CB C 28 72.713 72.713 70.908 1.805 18302 1880 1 5 . 1 1 28 28 THR H H 28 8.233 8.233 9.332 -1.099 18302 1881 1 5 . 1 1 29 29 THR N N 29 114.660 114.660 117.026 -2.366 18302 1882 1 5 . 1 1 29 29 THR HA H 29 3.800 3.800 3.937 -0.137 18302 1883 1 5 . 1 1 29 29 THR C C 29 177.772 177.772 176.245 1.527 18302 1884 1 5 . 1 1 29 29 THR CA C 29 66.767 66.767 66.435 0.332 18302 1885 1 5 . 1 1 29 29 THR CB C 29 68.611 68.611 68.786 -0.175 18302 1886 1 5 . 1 1 29 29 THR H H 29 9.316 9.316 8.962 0.354 18302 1887 1 5 . 1 1 30 30 LYS N N 30 121.300 121.300 121.635 -0.335 18302 1888 1 5 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.030 0.098 18302 1889 1 5 . 1 1 30 30 LYS C C 30 180.194 180.194 178.617 1.577 18302 1890 1 5 . 1 1 30 30 LYS CA C 30 59.354 59.354 59.916 -0.562 18302 1891 1 5 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.743 0.421 18302 1892 1 5 . 1 1 30 30 LYS H H 30 7.900 7.900 8.535 -0.635 18302 1893 1 5 . 1 1 31 31 GLU N N 31 122.184 122.184 120.019 2.165 18302 1894 1 5 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.028 -0.028 18302 1895 1 5 . 1 1 31 31 GLU C C 31 178.964 178.964 178.924 0.040 18302 1896 1 5 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.530 0.410 18302 1897 1 5 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.344 0.476 18302 1898 1 5 . 1 1 31 31 GLU H H 31 7.900 7.900 8.070 -0.170 18302 1899 1 5 . 1 1 32 32 LEU N N 32 120.000 120.000 118.787 1.213 18302 1900 1 5 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.217 -0.067 18302 1901 1 5 . 1 1 32 32 LEU C C 32 179.190 179.190 178.954 0.236 18302 1902 1 5 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.027 0.155 18302 1903 1 5 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.678 0.682 18302 1904 1 5 . 1 1 32 32 LEU H H 32 8.600 8.600 8.233 0.367 18302 1905 1 5 . 1 1 33 33 GLY N N 33 105.412 105.412 106.917 -1.505 18302 1906 1 5 . 1 1 33 33 GLY C C 33 175.371 175.371 175.888 -0.517 18302 1907 1 5 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.451 1.355 18302 1908 1 5 . 1 1 33 33 GLY H H 33 8.730 8.730 8.312 0.418 18302 1909 1 5 . 1 1 34 34 THR N N 34 118.762 118.762 119.497 -0.735 18302 1910 1 5 . 1 1 34 34 THR HA H 34 3.950 3.950 3.962 -0.012 18302 1911 1 5 . 1 1 34 34 THR C C 34 177.681 177.681 176.697 0.984 18302 1912 1 5 . 1 1 34 34 THR CA C 34 66.767 66.767 67.271 -0.504 18302 1913 1 5 . 1 1 34 34 THR CB C 34 69.197 69.197 68.598 0.599 18302 1914 1 5 . 1 1 34 34 THR H H 34 8.104 8.104 7.841 0.263 18302 1915 1 5 . 1 1 35 35 VAL N N 35 122.943 122.943 121.833 1.110 18302 1916 1 5 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.631 0.039 18302 1917 1 5 . 1 1 35 35 VAL C C 35 179.691 179.691 178.311 1.380 18302 1918 1 5 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.409 0.158 18302 1919 1 5 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.599 0.234 18302 1920 1 5 . 1 1 35 35 VAL H H 35 8.230 8.230 7.587 0.643 18302 1921 1 5 . 1 1 36 36 MET N N 36 118.074 118.074 117.518 0.556 18302 1922 1 5 . 1 1 36 36 MET HA H 36 4.124 4.124 4.217 -0.093 18302 1923 1 5 . 1 1 36 36 MET C C 36 179.518 179.518 178.538 0.980 18302 1924 1 5 . 1 1 36 36 MET CA C 36 58.400 58.400 57.614 0.786 18302 1925 1 5 . 1 1 36 36 MET CB C 36 31.233 31.233 31.190 0.043 18302 1926 1 5 . 1 1 36 36 MET H H 36 8.746 8.746 7.718 1.028 18302 1927 1 5 . 1 1 37 37 ARG N N 37 118.931 118.931 121.046 -2.115 18302 1928 1 5 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.199 0.651 18302 1929 1 5 . 1 1 37 37 ARG C C 37 181.608 181.608 179.555 2.053 18302 1930 1 5 . 1 1 37 37 ARG CA C 37 59.354 59.354 58.251 1.103 18302 1931 1 5 . 1 1 37 37 ARG CB C 37 29.820 29.820 29.699 0.121 18302 1932 1 5 . 1 1 37 37 ARG H H 37 8.559 8.559 7.968 0.591 18302 1933 1 5 . 1 1 38 38 SER N N 38 119.164 119.164 116.470 2.694 18302 1934 1 5 . 1 1 38 38 SER HA H 38 4.445 4.445 4.235 0.210 18302 1935 1 5 . 1 1 38 38 SER C C 38 175.212 175.212 176.325 -1.113 18302 1936 1 5 . 1 1 38 38 SER CA C 38 61.698 61.698 61.527 0.171 18302 1937 1 5 . 1 1 38 38 SER CB C 38 62.733 62.733 62.642 0.091 18302 1938 1 5 . 1 1 38 38 SER H H 38 8.075 8.075 8.367 -0.292 18302 1939 1 5 . 1 1 39 39 LEU N N 39 120.667 120.667 119.073 1.594 18302 1940 1 5 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.342 -0.112 18302 1941 1 5 . 1 1 39 39 LEU C C 39 177.740 177.740 177.362 0.378 18302 1942 1 5 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.456 -1.153 18302 1943 1 5 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.632 -0.858 18302 1944 1 5 . 1 1 39 39 LEU H H 39 7.419 7.419 7.414 0.005 18302 1945 1 5 . 1 1 40 40 GLY N N 40 107.175 107.175 106.601 0.574 18302 1946 1 5 . 1 1 40 40 GLY C C 40 174.723 174.723 173.930 0.793 18302 1947 1 5 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.552 0.948 18302 1948 1 5 . 1 1 40 40 GLY H H 40 7.900 7.900 8.067 -0.167 18302 1949 1 5 . 1 1 41 41 GLN N N 41 117.918 117.918 119.877 -1.959 18302 1950 1 5 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.302 -0.172 18302 1951 1 5 . 1 1 41 41 GLN C C 41 174.428 174.428 176.208 -1.780 18302 1952 1 5 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.684 0.316 18302 1953 1 5 . 1 1 41 41 GLN CB C 41 29.820 29.820 29.494 0.326 18302 1954 1 5 . 1 1 41 41 GLN H H 41 7.746 7.746 7.754 -0.008 18302 1955 1 5 . 1 1 42 42 ASN N N 42 119.000 119.000 125.642 -6.642 18302 1956 1 5 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.542 0.058 18302 1957 1 5 . 1 1 42 42 ASN H H 42 8.250 8.250 8.604 -0.354 18302 1958 1 5 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.364 0.836 18302 1959 1 5 . 1 1 43 43 PRO C C 43 177.909 177.909 176.487 1.422 18302 1960 1 5 . 1 1 43 43 PRO CA C 43 62.284 62.284 64.425 -2.141 18302 1961 1 5 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.114 -0.381 18302 1962 1 5 . 1 1 44 44 THR N N 44 113.390 113.390 115.746 -2.356 18302 1963 1 5 . 1 1 44 44 THR HA H 44 4.450 4.450 4.390 0.060 18302 1964 1 5 . 1 1 44 44 THR C C 44 175.483 175.483 175.145 0.338 18302 1965 1 5 . 1 1 44 44 THR CA C 44 60.526 60.526 62.797 -2.271 18302 1966 1 5 . 1 1 44 44 THR CB C 44 71.541 71.541 68.605 2.936 18302 1967 1 5 . 1 1 44 44 THR H H 44 8.982 8.982 7.945 1.037 18302 1968 1 5 . 1 1 45 45 GLU N N 45 120.632 120.632 120.864 -0.232 18302 1969 1 5 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.014 -0.064 18302 1970 1 5 . 1 1 45 45 GLU C C 45 179.348 179.348 177.750 1.598 18302 1971 1 5 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.783 0.217 18302 1972 1 5 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.189 0.544 18302 1973 1 5 . 1 1 45 45 GLU H H 45 8.854 8.854 8.697 0.157 18302 1974 1 5 . 1 1 46 46 THR N N 46 121.035 121.035 121.740 -0.705 18302 1975 1 5 . 1 1 46 46 THR HA H 46 4.121 4.121 4.229 -0.108 18302 1976 1 5 . 1 1 46 46 THR C C 46 175.463 175.463 176.808 -1.345 18302 1977 1 5 . 1 1 46 46 THR CA C 46 62.324 62.324 64.596 -2.272 18302 1978 1 5 . 1 1 46 46 THR CB C 46 70.088 70.088 68.001 2.087 18302 1979 1 5 . 1 1 46 46 THR H H 46 8.295 8.295 8.219 0.076 18302 1980 1 5 . 1 1 47 47 GLY N N 47 111.232 111.232 108.525 2.707 18302 1981 1 5 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.081 -0.144 18302 1982 1 5 . 1 1 47 47 GLY C C 47 174.998 174.998 177.142 -2.144 18302 1983 1 5 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.708 -1.787 18302 1984 1 5 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.401 0.419 18302 1985 1 5 . 1 1 47 47 GLY H H 47 8.720 8.720 7.583 1.137 18302 1986 1 5 . 1 1 48 48 ALA N N 48 124.417 124.417 121.317 3.100 18302 1987 1 5 . 1 1 48 48 ALA HA H 48 4.282 4.282 4.042 0.240 18302 1988 1 5 . 1 1 48 48 ALA C C 48 177.866 177.866 179.868 -2.002 18302 1989 1 5 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.428 -1.603 18302 1990 1 5 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.483 0.904 18302 1991 1 5 . 1 1 48 48 ALA H H 48 8.365 8.365 7.650 0.715 18302 1992 1 5 . 1 1 49 49 ALA N N 49 122.129 122.129 121.193 0.936 18302 1993 1 5 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.829 0.417 18302 1994 1 5 . 1 1 49 49 ALA C C 49 178.647 178.647 180.105 -1.458 18302 1995 1 5 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.545 -2.374 18302 1996 1 5 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.560 -2.411 18302 1997 1 5 . 1 1 49 49 ALA H H 49 8.318 8.318 7.729 0.589 18302 1998 1 5 . 1 1 50 50 LEU N N 50 120.817 120.817 120.791 0.026 18302 1999 1 5 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.130 -0.005 18302 2000 1 5 . 1 1 50 50 LEU C C 50 177.367 177.367 178.953 -1.586 18302 2001 1 5 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.839 -2.113 18302 2002 1 5 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.099 0.001 18302 2003 1 5 . 1 1 50 50 LEU H H 50 8.126 8.126 7.613 0.513 18302 2004 1 5 . 1 1 51 51 SER N N 51 116.273 116.273 115.008 1.265 18302 2005 1 5 . 1 1 51 51 SER HA H 51 4.057 4.057 3.980 0.077 18302 2006 1 5 . 1 1 51 51 SER C C 51 175.939 175.939 176.908 -0.969 18302 2007 1 5 . 1 1 51 51 SER CA C 51 61.429 61.429 62.967 -1.538 18302 2008 1 5 . 1 1 51 51 SER CB C 51 28.648 28.648 32.831 -4.183 18302 2009 1 5 . 1 1 51 51 SER H H 51 7.917 7.917 7.559 0.358 18302 2010 1 5 . 1 1 52 52 TRP N N 52 123.132 123.132 120.968 2.164 18302 2011 1 5 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.036 0.561 18302 2012 1 5 . 1 1 52 52 TRP C C 52 178.377 178.377 178.487 -0.110 18302 2013 1 5 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.901 -0.236 18302 2014 1 5 . 1 1 52 52 TRP CB C 52 29.388 29.388 28.918 0.470 18302 2015 1 5 . 1 1 52 52 TRP H H 52 8.732 8.732 8.387 0.345 18302 2016 1 5 . 1 1 53 53 GLN N N 53 117.115 117.115 117.964 -0.849 18302 2017 1 5 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.968 0.001 18302 2018 1 5 . 1 1 53 53 GLN C C 53 177.779 177.779 177.277 0.502 18302 2019 1 5 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.981 0.351 18302 2020 1 5 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.760 -0.610 18302 2021 1 5 . 1 1 53 53 GLN H H 53 8.480 8.480 8.142 0.338 18302 2022 1 5 . 1 1 54 54 ALA N N 54 120.557 120.557 120.680 -0.123 18302 2023 1 5 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.254 0.014 18302 2024 1 5 . 1 1 54 54 ALA C C 54 181.023 181.023 178.548 2.475 18302 2025 1 5 . 1 1 54 54 ALA CA C 54 54.640 54.640 53.135 1.505 18302 2026 1 5 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.866 -1.257 18302 2027 1 5 . 1 1 54 54 ALA H H 54 8.003 8.003 7.189 0.814 18302 2028 1 5 . 1 1 55 55 ALA N N 55 122.442 122.442 121.326 1.116 18302 2029 1 5 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.009 0.108 18302 2030 1 5 . 1 1 55 55 ALA C C 55 179.069 179.069 177.754 1.315 18302 2031 1 5 . 1 1 55 55 ALA CA C 55 55.478 55.478 54.651 0.827 18302 2032 1 5 . 1 1 55 55 ALA CB C 55 18.235 18.235 19.215 -0.980 18302 2033 1 5 . 1 1 55 55 ALA H H 55 8.283 8.283 8.253 0.030 18302 2034 1 5 . 1 1 56 56 ILE N N 56 119.035 119.035 119.715 -0.680 18302 2035 1 5 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.865 -0.054 18302 2036 1 5 . 1 1 56 56 ILE C C 56 177.968 177.968 176.643 1.325 18302 2037 1 5 . 1 1 56 56 ILE CA C 56 65.950 65.950 62.837 3.113 18302 2038 1 5 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.812 -0.498 18302 2039 1 5 . 1 1 56 56 ILE H H 56 8.682 8.682 7.677 1.005 18302 2040 1 5 . 1 1 57 57 ASP N N 57 119.160 119.160 126.678 -7.518 18302 2041 1 5 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.451 -0.051 18302 2042 1 5 . 1 1 57 57 ASP C C 57 179.117 179.117 176.960 2.157 18302 2043 1 5 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.113 -2.423 18302 2044 1 5 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.269 -0.629 18302 2045 1 5 . 1 1 57 57 ASP H H 57 8.393 8.393 8.933 -0.540 18302 2046 1 5 . 1 1 58 58 ALA N N 58 122.077 122.077 118.083 3.994 18302 2047 1 5 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.445 0.055 18302 2048 1 5 . 1 1 58 58 ALA C C 58 180.605 180.605 177.344 3.261 18302 2049 1 5 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.781 3.187 18302 2050 1 5 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.383 -0.849 18302 2051 1 5 . 1 1 58 58 ALA H H 58 8.153 8.153 7.937 0.216 18302 2052 1 5 . 1 1 59 59 ALA N N 59 123.120 123.120 121.391 1.729 18302 2053 1 5 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.969 0.077 18302 2054 1 5 . 1 1 59 59 ALA C C 59 180.385 180.385 177.907 2.478 18302 2055 1 5 . 1 1 59 59 ALA CA C 59 54.929 54.929 53.218 1.711 18302 2056 1 5 . 1 1 59 59 ALA H H 59 8.807 8.807 7.551 1.256 18302 2057 1 5 . 1 1 60 60 ARG N N 60 119.705 119.705 120.180 -0.475 18302 2058 1 5 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.075 -0.087 18302 2059 1 5 . 1 1 60 60 ARG C C 60 179.348 179.348 177.255 2.093 18302 2060 1 5 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.687 2.921 18302 2061 1 5 . 1 1 60 60 ARG CB C 60 30.295 30.295 31.027 -0.732 18302 2062 1 5 . 1 1 60 60 ARG H H 60 8.674 8.674 8.558 0.116 18302 2063 1 5 . 1 1 61 61 GLN N N 61 119.132 119.132 118.261 0.871 18302 2064 1 5 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.053 0.043 18302 2065 1 5 . 1 1 61 61 GLN C C 61 177.615 177.615 174.176 3.439 18302 2066 1 5 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.624 2.606 18302 2067 1 5 . 1 1 61 61 GLN H H 61 8.053 8.053 9.217 -1.164 18302 2068 1 5 . 1 1 62 62 ALA N N 62 120.910 120.910 119.018 1.892 18302 2069 1 5 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.215 -1.038 18302 2070 1 5 . 1 1 62 62 ALA C C 62 179.311 179.311 175.709 3.602 18302 2071 1 5 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.097 4.849 18302 2072 1 5 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.471 -3.935 18302 2073 1 5 . 1 1 62 62 ALA H H 62 7.920 7.920 7.731 0.189 18302 2074 1 5 . 1 1 63 63 LYS N N 63 117.863 117.863 120.728 -2.865 18302 2075 1 5 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.537 -0.381 18302 2076 1 5 . 1 1 63 63 LYS C C 63 178.324 178.324 175.537 2.787 18302 2077 1 5 . 1 1 63 63 LYS CA C 63 57.887 57.887 55.412 2.475 18302 2078 1 5 . 1 1 63 63 LYS CB C 63 31.780 31.780 35.384 -3.604 18302 2079 1 5 . 1 1 63 63 LYS H H 63 7.680 7.680 8.468 -0.788 18302 2080 1 5 . 1 1 64 64 LEU N N 64 119.697 119.697 126.698 -7.001 18302 2081 1 5 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.639 -0.446 18302 2082 1 5 . 1 1 64 64 LEU C C 64 178.459 178.459 178.146 0.313 18302 2083 1 5 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.048 2.394 18302 2084 1 5 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.309 -1.149 18302 2085 1 5 . 1 1 64 64 LEU H H 64 7.895 7.895 8.451 -0.556 18302 2086 1 5 . 1 1 65 65 MET N N 65 117.184 117.184 120.193 -3.009 18302 2087 1 5 . 1 1 65 65 MET HA H 65 4.472 4.472 4.257 0.215 18302 2088 1 5 . 1 1 65 65 MET C C 65 177.053 177.053 175.958 1.095 18302 2089 1 5 . 1 1 65 65 MET CA C 65 55.889 55.889 61.451 -5.562 18302 2090 1 5 . 1 1 65 65 MET CB C 65 33.010 33.010 30.027 2.983 18302 2091 1 5 . 1 1 65 65 MET H H 65 7.958 7.958 9.134 -1.176 18302 2092 1 5 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.064 -0.214 18302 2093 1 5 . 1 1 66 66 GLY C C 66 174.137 174.137 176.115 -1.978 18302 2094 1 5 . 1 1 66 66 GLY CA C 66 45.590 45.590 48.026 -2.436 18302 2095 1 5 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.884 -0.050 18302 2096 1 5 . 1 1 67 67 SER N N 67 115.622 115.622 113.365 2.257 18302 2097 1 5 . 1 1 67 67 SER HA H 67 4.472 4.472 4.150 0.322 18302 2098 1 5 . 1 1 67 67 SER C C 67 173.300 173.300 176.852 -3.552 18302 2099 1 5 . 1 1 67 67 SER CA C 67 58.182 58.182 61.359 -3.177 18302 2100 1 5 . 1 1 67 67 SER CB C 67 64.389 64.389 62.366 2.023 18302 2101 1 5 . 1 1 67 67 SER H H 67 8.127 8.127 8.545 -0.418 18302 2102 1 5 . 1 1 68 68 ALA N N 68 131.351 131.351 123.110 8.241 18302 2103 1 5 . 1 1 68 68 ALA HA H 68 4.200 4.200 4.029 0.171 18302 2104 1 5 . 1 1 68 68 ALA C C 68 176.792 176.792 177.637 -0.845 18302 2105 1 5 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.230 -1.113 18302 2106 1 5 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.403 0.845 18302 2107 1 5 . 1 1 68 68 ALA H H 68 7.984 7.984 7.620 0.364 18302 2108 1 5 . 1 1 69 69 LEU N N 69 119.986 119.986 118.269 1.717 18302 2109 1 5 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.895 -0.545 18302 2110 1 5 . 1 1 69 69 LEU C C 69 178.468 178.468 178.019 0.449 18302 2111 1 5 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.636 0.283 18302 2112 1 5 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.136 -0.137 18302 2113 1 5 . 1 1 69 69 LEU H H 69 9.062 9.062 7.693 1.369 18302 2114 1 5 . 1 1 70 70 THR N N 70 114.834 114.834 115.104 -0.270 18302 2115 1 5 . 1 1 70 70 THR HA H 70 4.100 4.100 4.072 0.028 18302 2116 1 5 . 1 1 70 70 THR C C 70 176.391 176.391 176.587 -0.196 18302 2117 1 5 . 1 1 70 70 THR CA C 70 61.833 61.833 65.955 -4.122 18302 2118 1 5 . 1 1 70 70 THR CB C 70 68.267 68.267 68.921 -0.654 18302 2119 1 5 . 1 1 70 70 THR H H 70 7.710 7.710 7.675 0.035 18302 2120 1 5 . 1 1 71 71 MET N N 71 120.233 120.233 121.749 -1.516 18302 2121 1 5 . 1 1 71 71 MET HA H 71 3.850 3.850 4.007 -0.157 18302 2122 1 5 . 1 1 71 71 MET C C 71 178.145 178.145 177.615 0.530 18302 2123 1 5 . 1 1 71 71 MET CA C 71 58.768 58.768 58.468 0.300 18302 2124 1 5 . 1 1 71 71 MET CB C 71 31.233 31.233 32.258 -1.025 18302 2125 1 5 . 1 1 71 71 MET H H 71 7.034 7.034 8.034 -1.000 18302 2126 1 5 . 1 1 72 72 MET N N 72 118.621 118.621 116.188 2.433 18302 2127 1 5 . 1 1 72 72 MET HA H 72 3.800 3.800 4.435 -0.635 18302 2128 1 5 . 1 1 72 72 MET C C 72 178.930 178.930 176.903 2.027 18302 2129 1 5 . 1 1 72 72 MET CA C 72 56.500 56.500 56.741 -0.241 18302 2130 1 5 . 1 1 72 72 MET CB C 72 32.733 32.733 32.462 0.271 18302 2131 1 5 . 1 1 72 72 MET H H 72 7.839 7.839 7.600 0.239 18302 2132 1 5 . 1 1 73 73 ALA N N 73 120.567 120.567 121.704 -1.137 18302 2133 1 5 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.404 -0.269 18302 2134 1 5 . 1 1 73 73 ALA C C 73 179.332 179.332 177.563 1.769 18302 2135 1 5 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.271 1.809 18302 2136 1 5 . 1 1 73 73 ALA CB C 73 18.453 18.453 17.769 0.684 18302 2137 1 5 . 1 1 73 73 ALA H H 73 8.240 8.240 8.339 -0.099 18302 2138 1 5 . 1 1 74 74 ARG N N 74 116.784 116.784 117.538 -0.754 18302 2139 1 5 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.267 -0.130 18302 2140 1 5 . 1 1 74 74 ARG C C 74 177.511 177.511 175.635 1.876 18302 2141 1 5 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.245 1.351 18302 2142 1 5 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.380 0.026 18302 2143 1 5 . 1 1 74 74 ARG H H 74 7.382 7.382 8.172 -0.790 18302 2144 1 5 . 1 1 75 75 LYS N N 75 118.548 118.548 117.980 0.568 18302 2145 1 5 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.570 -0.264 18302 2146 1 5 . 1 1 75 75 LYS C C 75 176.937 176.937 175.551 1.386 18302 2147 1 5 . 1 1 75 75 LYS CA C 75 55.000 55.000 55.631 -0.631 18302 2148 1 5 . 1 1 75 75 LYS CB C 75 32.750 32.750 34.474 -1.724 18302 2149 1 5 . 1 1 75 75 LYS H H 75 7.732 7.732 7.355 0.377 18302 2150 1 5 . 1 1 76 76 MET N N 76 120.367 120.367 119.195 1.172 18302 2151 1 5 . 1 1 76 76 MET HA H 76 4.443 4.443 4.600 -0.157 18302 2152 1 5 . 1 1 76 76 MET C C 76 175.539 175.539 176.375 -0.836 18302 2153 1 5 . 1 1 76 76 MET CA C 76 55.500 55.500 56.112 -0.612 18302 2154 1 5 . 1 1 76 76 MET CB C 76 32.733 32.733 33.506 -0.773 18302 2155 1 5 . 1 1 76 76 MET H H 76 7.863 7.863 8.713 -0.850 18302 2156 1 6 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.601 0.015 18302 2157 1 6 . 1 1 2 2 ASP C C 2 175.975 175.975 175.880 0.095 18302 2158 1 6 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.324 0.342 18302 2159 1 6 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.595 0.593 18302 2160 1 6 . 1 1 3 3 GLN N N 3 119.995 119.995 118.204 1.791 18302 2161 1 6 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.527 -0.144 18302 2162 1 6 . 1 1 3 3 GLN C C 3 175.927 175.927 174.627 1.300 18302 2163 1 6 . 1 1 3 3 GLN CA C 3 52.653 52.653 54.719 -2.066 18302 2164 1 6 . 1 1 3 3 GLN CB C 3 29.234 29.234 31.221 -1.987 18302 2165 1 6 . 1 1 3 3 GLN H H 3 8.414 8.414 7.712 0.702 18302 2166 1 6 . 1 1 4 4 LEU N N 4 123.586 123.586 121.554 2.032 18302 2167 1 6 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.469 0.201 18302 2168 1 6 . 1 1 4 4 LEU C C 4 177.983 177.983 175.933 2.050 18302 2169 1 6 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.348 -0.682 18302 2170 1 6 . 1 1 4 4 LEU CB C 4 43.532 43.532 43.264 0.268 18302 2171 1 6 . 1 1 4 4 LEU H H 4 8.352 8.352 8.388 -0.036 18302 2172 1 6 . 1 1 5 5 THR N N 5 113.292 113.292 114.840 -1.548 18302 2173 1 6 . 1 1 5 5 THR HA H 5 4.470 4.470 4.350 0.120 18302 2174 1 6 . 1 1 5 5 THR C C 5 175.729 175.729 174.263 1.466 18302 2175 1 6 . 1 1 5 5 THR CA C 5 60.526 60.526 61.704 -1.178 18302 2176 1 6 . 1 1 5 5 THR CB C 5 71.541 71.541 70.258 1.283 18302 2177 1 6 . 1 1 5 5 THR H H 5 8.735 8.735 8.042 0.693 18302 2178 1 6 . 1 1 6 6 GLU N N 6 120.507 120.507 122.001 -1.494 18302 2179 1 6 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.966 0.025 18302 2180 1 6 . 1 1 6 6 GLU C C 6 179.816 179.816 177.612 2.204 18302 2181 1 6 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.737 -0.797 18302 2182 1 6 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.734 -0.500 18302 2183 1 6 . 1 1 6 6 GLU H H 6 9.060 9.060 8.775 0.285 18302 2184 1 6 . 1 1 7 7 GLU N N 7 120.000 120.000 118.902 1.098 18302 2185 1 6 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.898 0.187 18302 2186 1 6 . 1 1 7 7 GLU C C 7 179.588 179.588 178.807 0.781 18302 2187 1 6 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.804 0.136 18302 2188 1 6 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.869 -0.036 18302 2189 1 6 . 1 1 7 7 GLU H H 7 8.770 8.770 8.713 0.057 18302 2190 1 6 . 1 1 8 8 GLN N N 8 120.798 120.798 118.382 2.416 18302 2191 1 6 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.089 -0.259 18302 2192 1 6 . 1 1 8 8 GLN C C 8 178.179 178.179 178.407 -0.228 18302 2193 1 6 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.221 -0.901 18302 2194 1 6 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.129 1.104 18302 2195 1 6 . 1 1 8 8 GLN H H 8 7.755 7.755 8.416 -0.661 18302 2196 1 6 . 1 1 9 9 ILE N N 9 119.028 119.028 116.488 2.540 18302 2197 1 6 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.975 -0.375 18302 2198 1 6 . 1 1 9 9 ILE C C 9 178.147 178.147 177.900 0.247 18302 2199 1 6 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.938 1.683 18302 2200 1 6 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.373 0.279 18302 2201 1 6 . 1 1 9 9 ILE H H 9 8.253 8.253 7.522 0.731 18302 2202 1 6 . 1 1 10 10 ALA N N 10 120.587 120.587 122.343 -1.756 18302 2203 1 6 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.899 0.241 18302 2204 1 6 . 1 1 10 10 ALA C C 10 181.279 181.279 179.498 1.781 18302 2205 1 6 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.092 0.160 18302 2206 1 6 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.899 -0.400 18302 2207 1 6 . 1 1 10 10 ALA H H 10 8.051 8.051 7.898 0.153 18302 2208 1 6 . 1 1 11 11 GLU N N 11 120.436 120.436 120.768 -0.332 18302 2209 1 6 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.098 0.097 18302 2210 1 6 . 1 1 11 11 GLU C C 11 180.542 180.542 178.538 2.004 18302 2211 1 6 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.412 -0.058 18302 2212 1 6 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.536 -0.302 18302 2213 1 6 . 1 1 11 11 GLU H H 11 7.795 7.795 8.571 -0.776 18302 2214 1 6 . 1 1 12 12 PHE N N 12 120.654 120.654 119.618 1.036 18302 2215 1 6 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.531 0.519 18302 2216 1 6 . 1 1 12 12 PHE C C 12 179.155 179.155 177.449 1.706 18302 2217 1 6 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.667 -1.907 18302 2218 1 6 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.804 -1.804 18302 2219 1 6 . 1 1 12 12 PHE H H 12 8.541 8.541 8.323 0.218 18302 2220 1 6 . 1 1 13 13 LYS N N 13 123.600 123.600 120.169 3.431 18302 2221 1 6 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.293 0.700 18302 2222 1 6 . 1 1 13 13 LYS C C 13 179.523 179.523 178.729 0.794 18302 2223 1 6 . 1 1 13 13 LYS CA C 13 59.940 59.940 58.917 1.023 18302 2224 1 6 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.420 0.313 18302 2225 1 6 . 1 1 13 13 LYS H H 13 9.279 9.279 7.266 2.013 18302 2226 1 6 . 1 1 14 14 GLU N N 14 121.150 121.150 118.821 2.329 18302 2227 1 6 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.867 0.254 18302 2228 1 6 . 1 1 14 14 GLU C C 14 179.859 179.859 178.804 1.055 18302 2229 1 6 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.307 0.047 18302 2230 1 6 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.401 0.332 18302 2231 1 6 . 1 1 14 14 GLU H H 14 8.036 8.036 8.029 0.007 18302 2232 1 6 . 1 1 15 15 ALA N N 15 122.010 122.010 121.848 0.162 18302 2233 1 6 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.897 0.452 18302 2234 1 6 . 1 1 15 15 ALA C C 15 178.785 178.785 179.387 -0.602 18302 2235 1 6 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.959 0.293 18302 2236 1 6 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.434 -0.434 18302 2237 1 6 . 1 1 15 15 ALA H H 15 8.034 8.034 7.864 0.170 18302 2238 1 6 . 1 1 16 16 PHE N N 16 119.032 119.032 118.574 0.458 18302 2239 1 6 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.973 -0.673 18302 2240 1 6 . 1 1 16 16 PHE C C 16 178.534 178.534 177.172 1.362 18302 2241 1 6 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.470 2.530 18302 2242 1 6 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.596 1.404 18302 2243 1 6 . 1 1 16 16 PHE H H 16 8.633 8.633 8.575 0.058 18302 2244 1 6 . 1 1 17 17 SER N N 17 113.786 113.786 114.762 -0.976 18302 2245 1 6 . 1 1 17 17 SER HA H 17 4.100 4.100 3.217 0.883 18302 2246 1 6 . 1 1 17 17 SER C C 17 174.639 174.639 175.535 -0.896 18302 2247 1 6 . 1 1 17 17 SER CA C 17 61.500 61.500 61.676 -0.176 18302 2248 1 6 . 1 1 17 17 SER CB C 17 63.500 63.500 62.862 0.638 18302 2249 1 6 . 1 1 17 17 SER H H 17 8.215 8.215 7.816 0.399 18302 2250 1 6 . 1 1 18 18 LEU N N 18 120.113 120.113 119.827 0.286 18302 2251 1 6 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.788 0.092 18302 2252 1 6 . 1 1 18 18 LEU C C 18 177.151 177.151 178.319 -1.168 18302 2253 1 6 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.227 -0.728 18302 2254 1 6 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.663 -0.163 18302 2255 1 6 . 1 1 18 18 LEU H H 18 7.417 7.417 7.234 0.183 18302 2256 1 6 . 1 1 19 19 PHE N N 19 112.070 112.070 117.188 -5.118 18302 2257 1 6 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.204 0.196 18302 2258 1 6 . 1 1 19 19 PHE C C 19 175.699 175.699 177.048 -1.349 18302 2259 1 6 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.718 -1.318 18302 2260 1 6 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.923 2.977 18302 2261 1 6 . 1 1 19 19 PHE H H 19 7.043 7.043 7.410 -0.367 18302 2262 1 6 . 1 1 20 20 ASP N N 20 116.223 116.223 119.282 -3.059 18302 2263 1 6 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.823 -0.223 18302 2264 1 6 . 1 1 20 20 ASP C C 20 177.625 177.625 177.310 0.315 18302 2265 1 6 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.063 -1.741 18302 2266 1 6 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.641 -0.211 18302 2267 1 6 . 1 1 20 20 ASP H H 20 7.484 7.484 7.918 -0.434 18302 2268 1 6 . 1 1 21 21 LYS N N 21 124.544 124.544 123.197 1.347 18302 2269 1 6 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.958 0.042 18302 2270 1 6 . 1 1 21 21 LYS C C 21 178.513 178.513 177.483 1.030 18302 2271 1 6 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.298 -0.598 18302 2272 1 6 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.105 2.095 18302 2273 1 6 . 1 1 21 21 LYS H H 21 7.601 7.601 8.478 -0.877 18302 2274 1 6 . 1 1 22 22 ASP N N 22 114.320 114.320 114.312 0.008 18302 2275 1 6 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.458 0.176 18302 2276 1 6 . 1 1 22 22 ASP C C 22 178.039 178.039 177.298 0.741 18302 2277 1 6 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.192 -1.284 18302 2278 1 6 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.975 0.041 18302 2279 1 6 . 1 1 22 22 ASP H H 22 8.241 8.241 7.958 0.283 18302 2280 1 6 . 1 1 23 23 GLY N N 23 109.478 109.478 108.976 0.502 18302 2281 1 6 . 1 1 23 23 GLY C C 23 175.427 175.427 175.028 0.399 18302 2282 1 6 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.031 1.017 18302 2283 1 6 . 1 1 23 23 GLY H H 23 7.680 7.680 7.729 -0.049 18302 2284 1 6 . 1 1 24 24 ASP N N 24 121.007 121.007 120.325 0.682 18302 2285 1 6 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.594 -0.094 18302 2286 1 6 . 1 1 24 24 ASP C C 24 177.660 177.660 177.758 -0.098 18302 2287 1 6 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.155 0.925 18302 2288 1 6 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.301 -0.699 18302 2289 1 6 . 1 1 24 24 ASP H H 24 8.523 8.523 8.279 0.244 18302 2290 1 6 . 1 1 25 25 GLY N N 25 112.961 112.961 109.572 3.389 18302 2291 1 6 . 1 1 25 25 GLY C C 25 174.198 174.198 173.746 0.452 18302 2292 1 6 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.632 -0.341 18302 2293 1 6 . 1 1 25 25 GLY H H 25 10.539 10.539 9.454 1.085 18302 2294 1 6 . 1 1 26 26 THR N N 26 112.593 112.593 110.019 2.574 18302 2295 1 6 . 1 1 26 26 THR HA H 26 5.560 5.560 4.828 0.732 18302 2296 1 6 . 1 1 26 26 THR C C 26 173.991 173.991 172.821 1.170 18302 2297 1 6 . 1 1 26 26 THR CA C 26 59.500 59.500 59.633 -0.133 18302 2298 1 6 . 1 1 26 26 THR CB C 26 73.299 73.299 72.588 0.711 18302 2299 1 6 . 1 1 26 26 THR H H 26 8.304 8.304 8.820 -0.516 18302 2300 1 6 . 1 1 27 27 ILE N N 27 126.868 126.868 121.669 5.199 18302 2301 1 6 . 1 1 27 27 ILE HA H 27 4.750 4.750 5.132 -0.382 18302 2302 1 6 . 1 1 27 27 ILE C C 27 176.338 176.338 175.791 0.547 18302 2303 1 6 . 1 1 27 27 ILE CA C 27 61.112 61.112 59.835 1.277 18302 2304 1 6 . 1 1 27 27 ILE CB C 27 40.000 40.000 41.370 -1.370 18302 2305 1 6 . 1 1 27 27 ILE H H 27 9.988 9.988 8.076 1.912 18302 2306 1 6 . 1 1 28 28 THR N N 28 116.237 116.237 119.896 -3.659 18302 2307 1 6 . 1 1 28 28 THR HA H 28 4.850 4.850 5.017 -0.167 18302 2308 1 6 . 1 1 28 28 THR C C 28 176.422 176.422 176.062 0.360 18302 2309 1 6 . 1 1 28 28 THR CA C 28 59.000 59.000 60.475 -1.475 18302 2310 1 6 . 1 1 28 28 THR CB C 28 72.713 72.713 71.709 1.004 18302 2311 1 6 . 1 1 28 28 THR H H 28 8.233 8.233 8.350 -0.117 18302 2312 1 6 . 1 1 29 29 THR N N 29 114.660 114.660 116.088 -1.428 18302 2313 1 6 . 1 1 29 29 THR HA H 29 3.800 3.800 3.899 -0.099 18302 2314 1 6 . 1 1 29 29 THR C C 29 177.772 177.772 176.626 1.146 18302 2315 1 6 . 1 1 29 29 THR CA C 29 66.767 66.767 67.179 -0.412 18302 2316 1 6 . 1 1 29 29 THR CB C 29 68.611 68.611 68.621 -0.010 18302 2317 1 6 . 1 1 29 29 THR H H 29 9.316 9.316 8.953 0.363 18302 2318 1 6 . 1 1 30 30 LYS N N 30 121.300 121.300 121.060 0.240 18302 2319 1 6 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.026 0.102 18302 2320 1 6 . 1 1 30 30 LYS C C 30 180.194 180.194 179.000 1.194 18302 2321 1 6 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.236 -0.882 18302 2322 1 6 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.823 0.341 18302 2323 1 6 . 1 1 30 30 LYS H H 30 7.900 7.900 8.445 -0.545 18302 2324 1 6 . 1 1 31 31 GLU N N 31 122.184 122.184 119.636 2.548 18302 2325 1 6 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.055 -0.055 18302 2326 1 6 . 1 1 31 31 GLU C C 31 178.964 178.964 179.086 -0.122 18302 2327 1 6 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.770 0.170 18302 2328 1 6 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.409 0.411 18302 2329 1 6 . 1 1 31 31 GLU H H 31 7.900 7.900 8.328 -0.428 18302 2330 1 6 . 1 1 32 32 LEU N N 32 120.000 120.000 120.592 -0.592 18302 2331 1 6 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.227 -0.077 18302 2332 1 6 . 1 1 32 32 LEU C C 32 179.190 179.190 178.823 0.367 18302 2333 1 6 . 1 1 32 32 LEU CA C 32 58.182 58.182 57.959 0.223 18302 2334 1 6 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.621 0.739 18302 2335 1 6 . 1 1 32 32 LEU H H 32 8.600 8.600 8.276 0.324 18302 2336 1 6 . 1 1 33 33 GLY N N 33 105.412 105.412 106.060 -0.648 18302 2337 1 6 . 1 1 33 33 GLY C C 33 175.371 175.371 176.111 -0.740 18302 2338 1 6 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.775 1.031 18302 2339 1 6 . 1 1 33 33 GLY H H 33 8.730 8.730 8.781 -0.051 18302 2340 1 6 . 1 1 34 34 THR N N 34 118.762 118.762 119.443 -0.681 18302 2341 1 6 . 1 1 34 34 THR HA H 34 3.950 3.950 3.961 -0.011 18302 2342 1 6 . 1 1 34 34 THR C C 34 177.681 177.681 176.780 0.901 18302 2343 1 6 . 1 1 34 34 THR CA C 34 66.767 66.767 67.186 -0.419 18302 2344 1 6 . 1 1 34 34 THR CB C 34 69.197 69.197 68.474 0.723 18302 2345 1 6 . 1 1 34 34 THR H H 34 8.104 8.104 8.185 -0.081 18302 2346 1 6 . 1 1 35 35 VAL N N 35 122.943 122.943 122.089 0.854 18302 2347 1 6 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.623 0.047 18302 2348 1 6 . 1 1 35 35 VAL C C 35 179.691 179.691 178.265 1.426 18302 2349 1 6 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.495 0.072 18302 2350 1 6 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.576 0.257 18302 2351 1 6 . 1 1 35 35 VAL H H 35 8.230 8.230 7.651 0.579 18302 2352 1 6 . 1 1 36 36 MET N N 36 118.074 118.074 117.737 0.337 18302 2353 1 6 . 1 1 36 36 MET HA H 36 4.124 4.124 4.086 0.038 18302 2354 1 6 . 1 1 36 36 MET C C 36 179.518 179.518 178.086 1.432 18302 2355 1 6 . 1 1 36 36 MET CA C 36 58.400 58.400 59.313 -0.913 18302 2356 1 6 . 1 1 36 36 MET CB C 36 31.233 31.233 32.197 -0.963 18302 2357 1 6 . 1 1 36 36 MET H H 36 8.746 8.746 8.385 0.361 18302 2358 1 6 . 1 1 37 37 ARG N N 37 118.931 118.931 120.746 -1.815 18302 2359 1 6 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.187 0.663 18302 2360 1 6 . 1 1 37 37 ARG C C 37 181.608 181.608 179.425 2.183 18302 2361 1 6 . 1 1 37 37 ARG CA C 37 59.354 59.354 58.272 1.082 18302 2362 1 6 . 1 1 37 37 ARG CB C 37 29.820 29.820 29.729 0.091 18302 2363 1 6 . 1 1 37 37 ARG H H 37 8.559 8.559 8.332 0.227 18302 2364 1 6 . 1 1 38 38 SER N N 38 119.164 119.164 115.743 3.421 18302 2365 1 6 . 1 1 38 38 SER HA H 38 4.445 4.445 4.274 0.171 18302 2366 1 6 . 1 1 38 38 SER C C 38 175.212 175.212 176.017 -0.805 18302 2367 1 6 . 1 1 38 38 SER CA C 38 61.698 61.698 61.246 0.452 18302 2368 1 6 . 1 1 38 38 SER CB C 38 62.733 62.733 62.895 -0.162 18302 2369 1 6 . 1 1 38 38 SER H H 38 8.075 8.075 8.313 -0.238 18302 2370 1 6 . 1 1 39 39 LEU N N 39 120.667 120.667 119.795 0.872 18302 2371 1 6 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.410 -0.180 18302 2372 1 6 . 1 1 39 39 LEU C C 39 177.740 177.740 177.554 0.186 18302 2373 1 6 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.238 -0.935 18302 2374 1 6 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.654 -0.880 18302 2375 1 6 . 1 1 39 39 LEU H H 39 7.419 7.419 7.436 -0.017 18302 2376 1 6 . 1 1 40 40 GLY N N 40 107.175 107.175 106.986 0.189 18302 2377 1 6 . 1 1 40 40 GLY C C 40 174.723 174.723 173.503 1.220 18302 2378 1 6 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.892 0.608 18302 2379 1 6 . 1 1 40 40 GLY H H 40 7.900 7.900 8.021 -0.121 18302 2380 1 6 . 1 1 41 41 GLN N N 41 117.918 117.918 120.147 -2.229 18302 2381 1 6 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.581 -0.451 18302 2382 1 6 . 1 1 41 41 GLN C C 41 174.428 174.428 175.118 -0.690 18302 2383 1 6 . 1 1 41 41 GLN CA C 41 55.000 55.000 53.462 1.538 18302 2384 1 6 . 1 1 41 41 GLN CB C 41 29.820 29.820 31.593 -1.773 18302 2385 1 6 . 1 1 41 41 GLN H H 41 7.746 7.746 7.512 0.234 18302 2386 1 6 . 1 1 42 42 ASN N N 42 119.000 119.000 123.774 -4.774 18302 2387 1 6 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.577 0.023 18302 2388 1 6 . 1 1 42 42 ASN H H 42 8.250 8.250 8.824 -0.574 18302 2389 1 6 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.493 0.707 18302 2390 1 6 . 1 1 43 43 PRO C C 43 177.909 177.909 176.269 1.640 18302 2391 1 6 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.269 -0.985 18302 2392 1 6 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.294 -0.561 18302 2393 1 6 . 1 1 44 44 THR N N 44 113.390 113.390 112.908 0.482 18302 2394 1 6 . 1 1 44 44 THR HA H 44 4.450 4.450 4.167 0.283 18302 2395 1 6 . 1 1 44 44 THR C C 44 175.483 175.483 175.382 0.101 18302 2396 1 6 . 1 1 44 44 THR CA C 44 60.526 60.526 62.763 -2.237 18302 2397 1 6 . 1 1 44 44 THR CB C 44 71.541 71.541 69.286 2.255 18302 2398 1 6 . 1 1 44 44 THR H H 44 8.982 8.982 8.065 0.917 18302 2399 1 6 . 1 1 45 45 GLU N N 45 120.632 120.632 127.078 -6.446 18302 2400 1 6 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.959 -0.009 18302 2401 1 6 . 1 1 45 45 GLU C C 45 179.348 179.348 178.455 0.893 18302 2402 1 6 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.834 0.166 18302 2403 1 6 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.432 0.301 18302 2404 1 6 . 1 1 45 45 GLU H H 45 8.854 8.854 8.668 0.186 18302 2405 1 6 . 1 1 46 46 THR N N 46 121.035 121.035 123.655 -2.620 18302 2406 1 6 . 1 1 46 46 THR HA H 46 4.121 4.121 4.164 -0.043 18302 2407 1 6 . 1 1 46 46 THR C C 46 175.463 175.463 177.136 -1.673 18302 2408 1 6 . 1 1 46 46 THR CA C 46 62.324 62.324 65.204 -2.880 18302 2409 1 6 . 1 1 46 46 THR CB C 46 70.088 70.088 67.454 2.634 18302 2410 1 6 . 1 1 46 46 THR H H 46 8.295 8.295 8.451 -0.156 18302 2411 1 6 . 1 1 47 47 GLY N N 47 111.232 111.232 106.880 4.352 18302 2412 1 6 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.099 -0.162 18302 2413 1 6 . 1 1 47 47 GLY C C 47 174.998 174.998 177.384 -2.386 18302 2414 1 6 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.823 -1.902 18302 2415 1 6 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.265 0.555 18302 2416 1 6 . 1 1 47 47 GLY H H 47 8.720 8.720 8.205 0.515 18302 2417 1 6 . 1 1 48 48 ALA N N 48 124.417 124.417 122.003 2.414 18302 2418 1 6 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.910 0.372 18302 2419 1 6 . 1 1 48 48 ALA C C 48 177.866 177.866 179.868 -2.002 18302 2420 1 6 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.724 -1.899 18302 2421 1 6 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.536 0.851 18302 2422 1 6 . 1 1 48 48 ALA H H 48 8.365 8.365 7.482 0.883 18302 2423 1 6 . 1 1 49 49 ALA N N 49 122.129 122.129 120.623 1.506 18302 2424 1 6 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.846 0.400 18302 2425 1 6 . 1 1 49 49 ALA C C 49 178.647 178.647 180.153 -1.506 18302 2426 1 6 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.443 -2.272 18302 2427 1 6 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.516 -2.367 18302 2428 1 6 . 1 1 49 49 ALA H H 49 8.318 8.318 8.837 -0.519 18302 2429 1 6 . 1 1 50 50 LEU N N 50 120.817 120.817 120.958 -0.141 18302 2430 1 6 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.227 -0.102 18302 2431 1 6 . 1 1 50 50 LEU C C 50 177.367 177.367 178.865 -1.498 18302 2432 1 6 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.631 -1.905 18302 2433 1 6 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.170 -0.070 18302 2434 1 6 . 1 1 50 50 LEU H H 50 8.126 8.126 7.590 0.536 18302 2435 1 6 . 1 1 51 51 SER N N 51 116.273 116.273 115.710 0.563 18302 2436 1 6 . 1 1 51 51 SER HA H 51 4.057 4.057 4.189 -0.132 18302 2437 1 6 . 1 1 51 51 SER C C 51 175.939 175.939 177.201 -1.262 18302 2438 1 6 . 1 1 51 51 SER CA C 51 61.429 61.429 60.785 0.644 18302 2439 1 6 . 1 1 51 51 SER CB C 51 28.648 28.648 32.388 -3.740 18302 2440 1 6 . 1 1 51 51 SER H H 51 7.917 7.917 7.870 0.047 18302 2441 1 6 . 1 1 52 52 TRP N N 52 123.132 123.132 119.189 3.943 18302 2442 1 6 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.180 0.417 18302 2443 1 6 . 1 1 52 52 TRP C C 52 178.377 178.377 177.973 0.404 18302 2444 1 6 . 1 1 52 52 TRP CA C 52 61.665 61.665 60.796 0.869 18302 2445 1 6 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.277 0.111 18302 2446 1 6 . 1 1 52 52 TRP H H 52 8.732 8.732 8.593 0.139 18302 2447 1 6 . 1 1 53 53 GLN N N 53 117.115 117.115 117.758 -0.643 18302 2448 1 6 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.100 -0.131 18302 2449 1 6 . 1 1 53 53 GLN C C 53 177.779 177.779 178.142 -0.363 18302 2450 1 6 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.161 1.171 18302 2451 1 6 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.933 -0.783 18302 2452 1 6 . 1 1 53 53 GLN H H 53 8.480 8.480 7.671 0.809 18302 2453 1 6 . 1 1 54 54 ALA N N 54 120.557 120.557 122.937 -2.380 18302 2454 1 6 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.100 0.168 18302 2455 1 6 . 1 1 54 54 ALA C C 54 181.023 181.023 178.695 2.328 18302 2456 1 6 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.224 0.416 18302 2457 1 6 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.339 -0.730 18302 2458 1 6 . 1 1 54 54 ALA H H 54 8.003 8.003 7.776 0.227 18302 2459 1 6 . 1 1 55 55 ALA N N 55 122.442 122.442 115.874 6.568 18302 2460 1 6 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.493 -0.376 18302 2461 1 6 . 1 1 55 55 ALA C C 55 179.069 179.069 176.403 2.666 18302 2462 1 6 . 1 1 55 55 ALA CA C 55 55.478 55.478 50.669 4.809 18302 2463 1 6 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.252 -0.017 18302 2464 1 6 . 1 1 55 55 ALA H H 55 8.283 8.283 7.459 0.824 18302 2465 1 6 . 1 1 56 56 ILE N N 56 119.035 119.035 121.799 -2.764 18302 2466 1 6 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.144 -0.333 18302 2467 1 6 . 1 1 56 56 ILE C C 56 177.968 177.968 176.006 1.962 18302 2468 1 6 . 1 1 56 56 ILE CA C 56 65.950 65.950 61.392 4.559 18302 2469 1 6 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.782 -0.467 18302 2470 1 6 . 1 1 56 56 ILE H H 56 8.682 8.682 7.133 1.549 18302 2471 1 6 . 1 1 57 57 ASP N N 57 119.160 119.160 126.772 -7.612 18302 2472 1 6 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.401 -0.001 18302 2473 1 6 . 1 1 57 57 ASP C C 57 179.117 179.117 177.246 1.871 18302 2474 1 6 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.057 -2.367 18302 2475 1 6 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.816 -0.176 18302 2476 1 6 . 1 1 57 57 ASP H H 57 8.393 8.393 8.789 -0.396 18302 2477 1 6 . 1 1 58 58 ALA N N 58 122.077 122.077 119.853 2.224 18302 2478 1 6 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.337 0.163 18302 2479 1 6 . 1 1 58 58 ALA C C 58 180.605 180.605 178.399 2.206 18302 2480 1 6 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.925 3.043 18302 2481 1 6 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.287 -0.753 18302 2482 1 6 . 1 1 58 58 ALA H H 58 8.153 8.153 8.083 0.070 18302 2483 1 6 . 1 1 59 59 ALA N N 59 123.120 123.120 121.511 1.609 18302 2484 1 6 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.869 0.177 18302 2485 1 6 . 1 1 59 59 ALA C C 59 180.385 180.385 178.142 2.243 18302 2486 1 6 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.550 2.378 18302 2487 1 6 . 1 1 59 59 ALA H H 59 8.807 8.807 8.280 0.527 18302 2488 1 6 . 1 1 60 60 ARG N N 60 119.705 119.705 120.986 -1.281 18302 2489 1 6 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.275 -0.287 18302 2490 1 6 . 1 1 60 60 ARG C C 60 179.348 179.348 177.004 2.344 18302 2491 1 6 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.371 3.237 18302 2492 1 6 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.610 -0.315 18302 2493 1 6 . 1 1 60 60 ARG H H 60 8.674 8.674 8.504 0.170 18302 2494 1 6 . 1 1 61 61 GLN N N 61 119.132 119.132 118.907 0.225 18302 2495 1 6 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.944 0.152 18302 2496 1 6 . 1 1 61 61 GLN C C 61 177.615 177.615 174.634 2.981 18302 2497 1 6 . 1 1 61 61 GLN CA C 61 58.230 58.230 56.037 2.193 18302 2498 1 6 . 1 1 61 61 GLN H H 61 8.053 8.053 8.999 -0.946 18302 2499 1 6 . 1 1 62 62 ALA N N 62 120.910 120.910 119.059 1.851 18302 2500 1 6 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.292 -1.115 18302 2501 1 6 . 1 1 62 62 ALA C C 62 179.311 179.311 176.447 2.864 18302 2502 1 6 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.448 4.499 18302 2503 1 6 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.223 -3.687 18302 2504 1 6 . 1 1 62 62 ALA H H 62 7.920 7.920 7.649 0.271 18302 2505 1 6 . 1 1 63 63 LYS N N 63 117.863 117.863 122.589 -4.726 18302 2506 1 6 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.474 -0.318 18302 2507 1 6 . 1 1 63 63 LYS C C 63 178.324 178.324 175.641 2.683 18302 2508 1 6 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.488 4.399 18302 2509 1 6 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.669 -0.889 18302 2510 1 6 . 1 1 63 63 LYS H H 63 7.680 7.680 8.354 -0.674 18302 2511 1 6 . 1 1 64 64 LEU N N 64 119.697 119.697 127.968 -8.271 18302 2512 1 6 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.081 0.112 18302 2513 1 6 . 1 1 64 64 LEU C C 64 178.459 178.459 178.192 0.267 18302 2514 1 6 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.438 2.005 18302 2515 1 6 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.637 -1.476 18302 2516 1 6 . 1 1 64 64 LEU H H 64 7.895 7.895 8.290 -0.395 18302 2517 1 6 . 1 1 65 65 MET N N 65 117.184 117.184 117.461 -0.277 18302 2518 1 6 . 1 1 65 65 MET HA H 65 4.472 4.472 4.280 0.192 18302 2519 1 6 . 1 1 65 65 MET C C 65 177.053 177.053 175.863 1.190 18302 2520 1 6 . 1 1 65 65 MET CA C 65 55.889 55.889 59.772 -3.883 18302 2521 1 6 . 1 1 65 65 MET CB C 65 33.010 33.010 29.395 3.615 18302 2522 1 6 . 1 1 65 65 MET H H 65 7.958 7.958 7.537 0.421 18302 2523 1 6 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.046 -0.196 18302 2524 1 6 . 1 1 66 66 GLY C C 66 174.137 174.137 176.144 -2.007 18302 2525 1 6 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.773 -2.183 18302 2526 1 6 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.030 -0.197 18302 2527 1 6 . 1 1 67 67 SER N N 67 115.622 115.622 113.392 2.230 18302 2528 1 6 . 1 1 67 67 SER HA H 67 4.472 4.472 4.114 0.358 18302 2529 1 6 . 1 1 67 67 SER C C 67 173.300 173.300 176.855 -3.555 18302 2530 1 6 . 1 1 67 67 SER CA C 67 58.182 58.182 61.322 -3.140 18302 2531 1 6 . 1 1 67 67 SER CB C 67 64.389 64.389 62.330 2.059 18302 2532 1 6 . 1 1 67 67 SER H H 67 8.127 8.127 8.509 -0.382 18302 2533 1 6 . 1 1 68 68 ALA N N 68 131.351 131.351 123.440 7.911 18302 2534 1 6 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.987 0.213 18302 2535 1 6 . 1 1 68 68 ALA C C 68 176.792 176.792 177.644 -0.852 18302 2536 1 6 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.197 -1.081 18302 2537 1 6 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.416 0.832 18302 2538 1 6 . 1 1 68 68 ALA H H 68 7.984 7.984 7.527 0.457 18302 2539 1 6 . 1 1 69 69 LEU N N 69 119.986 119.986 119.930 0.056 18302 2540 1 6 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.893 -0.543 18302 2541 1 6 . 1 1 69 69 LEU C C 69 178.468 178.468 178.638 -0.170 18302 2542 1 6 . 1 1 69 69 LEU CA C 69 57.919 57.919 58.097 -0.178 18302 2543 1 6 . 1 1 69 69 LEU CB C 69 41.000 41.000 40.560 0.440 18302 2544 1 6 . 1 1 69 69 LEU H H 69 9.062 9.062 7.793 1.269 18302 2545 1 6 . 1 1 70 70 THR N N 70 114.834 114.834 115.701 -0.867 18302 2546 1 6 . 1 1 70 70 THR HA H 70 4.100 4.100 3.969 0.131 18302 2547 1 6 . 1 1 70 70 THR C C 70 176.391 176.391 176.844 -0.453 18302 2548 1 6 . 1 1 70 70 THR CA C 70 61.833 61.833 66.386 -4.553 18302 2549 1 6 . 1 1 70 70 THR CB C 70 68.267 68.267 69.022 -0.755 18302 2550 1 6 . 1 1 70 70 THR H H 70 7.710 7.710 7.988 -0.278 18302 2551 1 6 . 1 1 71 71 MET N N 71 120.233 120.233 121.376 -1.143 18302 2552 1 6 . 1 1 71 71 MET HA H 71 3.850 3.850 3.975 -0.125 18302 2553 1 6 . 1 1 71 71 MET C C 71 178.145 178.145 177.663 0.482 18302 2554 1 6 . 1 1 71 71 MET CA C 71 58.768 58.768 58.509 0.259 18302 2555 1 6 . 1 1 71 71 MET CB C 71 31.233 31.233 32.368 -1.135 18302 2556 1 6 . 1 1 71 71 MET H H 71 7.034 7.034 8.076 -1.042 18302 2557 1 6 . 1 1 72 72 MET N N 72 118.621 118.621 115.883 2.738 18302 2558 1 6 . 1 1 72 72 MET HA H 72 3.800 3.800 4.394 -0.594 18302 2559 1 6 . 1 1 72 72 MET C C 72 178.930 178.930 177.050 1.880 18302 2560 1 6 . 1 1 72 72 MET CA C 72 56.500 56.500 56.536 -0.036 18302 2561 1 6 . 1 1 72 72 MET CB C 72 32.733 32.733 31.738 0.995 18302 2562 1 6 . 1 1 72 72 MET H H 72 7.839 7.839 7.796 0.043 18302 2563 1 6 . 1 1 73 73 ALA N N 73 120.567 120.567 122.912 -2.345 18302 2564 1 6 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.067 0.068 18302 2565 1 6 . 1 1 73 73 ALA C C 73 179.332 179.332 179.051 0.281 18302 2566 1 6 . 1 1 73 73 ALA CA C 73 54.080 54.080 54.166 -0.086 18302 2567 1 6 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.668 -0.215 18302 2568 1 6 . 1 1 73 73 ALA H H 73 8.240 8.240 7.934 0.306 18302 2569 1 6 . 1 1 74 74 ARG N N 74 116.784 116.784 118.310 -1.526 18302 2570 1 6 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.115 0.022 18302 2571 1 6 . 1 1 74 74 ARG C C 74 177.511 177.511 177.340 0.171 18302 2572 1 6 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.498 1.098 18302 2573 1 6 . 1 1 74 74 ARG CB C 74 30.406 30.406 29.860 0.546 18302 2574 1 6 . 1 1 74 74 ARG H H 74 7.382 7.382 7.604 -0.222 18302 2575 1 6 . 1 1 75 75 LYS N N 75 118.548 118.548 117.373 1.175 18302 2576 1 6 . 1 1 75 75 LYS HA H 75 4.306 4.306 3.896 0.410 18302 2577 1 6 . 1 1 75 75 LYS C C 75 176.937 176.937 176.392 0.545 18302 2578 1 6 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.592 -1.591 18302 2579 1 6 . 1 1 75 75 LYS CB C 75 32.750 32.750 31.371 1.379 18302 2580 1 6 . 1 1 75 75 LYS H H 75 7.732 7.732 8.225 -0.493 18302 2581 1 6 . 1 1 76 76 MET N N 76 120.367 120.367 117.853 2.514 18302 2582 1 6 . 1 1 76 76 MET HA H 76 4.443 4.443 4.211 0.232 18302 2583 1 6 . 1 1 76 76 MET C C 76 175.539 175.539 176.911 -1.372 18302 2584 1 6 . 1 1 76 76 MET CA C 76 55.500 55.500 58.139 -2.639 18302 2585 1 6 . 1 1 76 76 MET CB C 76 32.733 32.733 32.921 -0.188 18302 2586 1 6 . 1 1 76 76 MET H H 76 7.863 7.863 8.023 -0.160 18302 2587 1 7 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.669 -0.053 18302 2588 1 7 . 1 1 2 2 ASP C C 2 175.975 175.975 176.379 -0.404 18302 2589 1 7 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.028 0.638 18302 2590 1 7 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.633 -0.445 18302 2591 1 7 . 1 1 3 3 GLN N N 3 119.995 119.995 121.998 -2.003 18302 2592 1 7 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.244 0.139 18302 2593 1 7 . 1 1 3 3 GLN C C 3 175.927 175.927 175.662 0.265 18302 2594 1 7 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.427 -2.774 18302 2595 1 7 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.327 -0.093 18302 2596 1 7 . 1 1 3 3 GLN H H 3 8.414 8.414 8.228 0.186 18302 2597 1 7 . 1 1 4 4 LEU N N 4 123.586 123.586 121.426 2.160 18302 2598 1 7 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.269 0.401 18302 2599 1 7 . 1 1 4 4 LEU C C 4 177.983 177.983 176.937 1.046 18302 2600 1 7 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.255 -1.589 18302 2601 1 7 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.386 1.146 18302 2602 1 7 . 1 1 4 4 LEU H H 4 8.352 8.352 8.500 -0.148 18302 2603 1 7 . 1 1 5 5 THR N N 5 113.292 113.292 112.261 1.031 18302 2604 1 7 . 1 1 5 5 THR HA H 5 4.470 4.470 4.317 0.153 18302 2605 1 7 . 1 1 5 5 THR C C 5 175.729 175.729 174.258 1.471 18302 2606 1 7 . 1 1 5 5 THR CA C 5 60.526 60.526 61.458 -0.932 18302 2607 1 7 . 1 1 5 5 THR CB C 5 71.541 71.541 69.599 1.942 18302 2608 1 7 . 1 1 5 5 THR H H 5 8.735 8.735 7.929 0.806 18302 2609 1 7 . 1 1 6 6 GLU N N 6 120.507 120.507 121.369 -0.862 18302 2610 1 7 . 1 1 6 6 GLU HA H 6 3.991 3.991 4.005 -0.014 18302 2611 1 7 . 1 1 6 6 GLU C C 6 179.816 179.816 177.717 2.099 18302 2612 1 7 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.200 -0.260 18302 2613 1 7 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.718 -0.484 18302 2614 1 7 . 1 1 6 6 GLU H H 6 9.060 9.060 8.795 0.265 18302 2615 1 7 . 1 1 7 7 GLU N N 7 120.000 120.000 119.507 0.493 18302 2616 1 7 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.832 0.253 18302 2617 1 7 . 1 1 7 7 GLU C C 7 179.588 179.588 178.772 0.816 18302 2618 1 7 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.894 0.046 18302 2619 1 7 . 1 1 7 7 GLU CB C 7 28.833 28.833 29.174 -0.341 18302 2620 1 7 . 1 1 7 7 GLU H H 7 8.770 8.770 7.917 0.853 18302 2621 1 7 . 1 1 8 8 GLN N N 8 120.798 120.798 118.668 2.130 18302 2622 1 7 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.087 -0.257 18302 2623 1 7 . 1 1 8 8 GLN C C 8 178.179 178.179 178.998 -0.819 18302 2624 1 7 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.879 -0.559 18302 2625 1 7 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.088 1.145 18302 2626 1 7 . 1 1 8 8 GLN H H 8 7.755 7.755 8.262 -0.507 18302 2627 1 7 . 1 1 9 9 ILE N N 9 119.028 119.028 115.866 3.162 18302 2628 1 7 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.993 -0.393 18302 2629 1 7 . 1 1 9 9 ILE C C 9 178.147 178.147 177.898 0.249 18302 2630 1 7 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.970 1.650 18302 2631 1 7 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.185 0.467 18302 2632 1 7 . 1 1 9 9 ILE H H 9 8.253 8.253 7.569 0.684 18302 2633 1 7 . 1 1 10 10 ALA N N 10 120.587 120.587 122.484 -1.897 18302 2634 1 7 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.941 0.199 18302 2635 1 7 . 1 1 10 10 ALA C C 10 181.279 181.279 179.650 1.629 18302 2636 1 7 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.193 0.059 18302 2637 1 7 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.899 -0.399 18302 2638 1 7 . 1 1 10 10 ALA H H 10 8.051 8.051 8.359 -0.308 18302 2639 1 7 . 1 1 11 11 GLU N N 11 120.436 120.436 120.492 -0.056 18302 2640 1 7 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.155 0.040 18302 2641 1 7 . 1 1 11 11 GLU C C 11 180.542 180.542 178.550 1.992 18302 2642 1 7 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.329 0.025 18302 2643 1 7 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.640 -0.406 18302 2644 1 7 . 1 1 11 11 GLU H H 11 7.795 7.795 8.603 -0.808 18302 2645 1 7 . 1 1 12 12 PHE N N 12 120.654 120.654 120.784 -0.130 18302 2646 1 7 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.692 0.358 18302 2647 1 7 . 1 1 12 12 PHE C C 12 179.155 179.155 177.586 1.569 18302 2648 1 7 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.201 -1.441 18302 2649 1 7 . 1 1 12 12 PHE CB C 12 37.000 37.000 39.152 -2.152 18302 2650 1 7 . 1 1 12 12 PHE H H 12 8.541 8.541 8.439 0.102 18302 2651 1 7 . 1 1 13 13 LYS N N 13 123.600 123.600 120.168 3.432 18302 2652 1 7 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.250 0.743 18302 2653 1 7 . 1 1 13 13 LYS C C 13 179.523 179.523 178.588 0.935 18302 2654 1 7 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.223 0.717 18302 2655 1 7 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.692 0.042 18302 2656 1 7 . 1 1 13 13 LYS H H 13 9.279 9.279 7.648 1.631 18302 2657 1 7 . 1 1 14 14 GLU N N 14 121.150 121.150 119.073 2.077 18302 2658 1 7 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.944 0.177 18302 2659 1 7 . 1 1 14 14 GLU C C 14 179.859 179.859 178.799 1.060 18302 2660 1 7 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.295 0.059 18302 2661 1 7 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.414 0.319 18302 2662 1 7 . 1 1 14 14 GLU H H 14 8.036 8.036 7.932 0.104 18302 2663 1 7 . 1 1 15 15 ALA N N 15 122.010 122.010 121.712 0.298 18302 2664 1 7 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.927 0.422 18302 2665 1 7 . 1 1 15 15 ALA C C 15 178.785 178.785 179.342 -0.557 18302 2666 1 7 . 1 1 15 15 ALA CA C 15 55.252 55.252 55.015 0.237 18302 2667 1 7 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.461 -0.461 18302 2668 1 7 . 1 1 15 15 ALA H H 15 8.034 8.034 7.840 0.194 18302 2669 1 7 . 1 1 16 16 PHE N N 16 119.032 119.032 118.877 0.155 18302 2670 1 7 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.801 -0.501 18302 2671 1 7 . 1 1 16 16 PHE C C 16 178.534 178.534 177.132 1.402 18302 2672 1 7 . 1 1 16 16 PHE CA C 16 62.000 62.000 60.369 1.631 18302 2673 1 7 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.754 1.246 18302 2674 1 7 . 1 1 16 16 PHE H H 16 8.633 8.633 8.307 0.326 18302 2675 1 7 . 1 1 17 17 SER N N 17 113.786 113.786 115.104 -1.318 18302 2676 1 7 . 1 1 17 17 SER HA H 17 4.100 4.100 3.340 0.760 18302 2677 1 7 . 1 1 17 17 SER C C 17 174.639 174.639 176.241 -1.602 18302 2678 1 7 . 1 1 17 17 SER CA C 17 61.500 61.500 61.501 -0.001 18302 2679 1 7 . 1 1 17 17 SER CB C 17 63.500 63.500 62.959 0.541 18302 2680 1 7 . 1 1 17 17 SER H H 17 8.215 8.215 8.087 0.128 18302 2681 1 7 . 1 1 18 18 LEU N N 18 120.113 120.113 119.820 0.293 18302 2682 1 7 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.797 0.083 18302 2683 1 7 . 1 1 18 18 LEU C C 18 177.151 177.151 178.260 -1.109 18302 2684 1 7 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.135 -0.635 18302 2685 1 7 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.794 -0.294 18302 2686 1 7 . 1 1 18 18 LEU H H 18 7.417 7.417 7.270 0.147 18302 2687 1 7 . 1 1 19 19 PHE N N 19 112.070 112.070 115.174 -3.104 18302 2688 1 7 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.147 0.253 18302 2689 1 7 . 1 1 19 19 PHE C C 19 175.699 175.699 176.841 -1.142 18302 2690 1 7 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.363 -0.963 18302 2691 1 7 . 1 1 19 19 PHE CB C 19 41.900 41.900 39.028 2.872 18302 2692 1 7 . 1 1 19 19 PHE H H 19 7.043 7.043 6.992 0.051 18302 2693 1 7 . 1 1 20 20 ASP N N 20 116.223 116.223 119.740 -3.517 18302 2694 1 7 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.680 -0.080 18302 2695 1 7 . 1 1 20 20 ASP C C 20 177.625 177.625 177.013 0.612 18302 2696 1 7 . 1 1 20 20 ASP CA C 20 52.322 52.322 53.670 -1.348 18302 2697 1 7 . 1 1 20 20 ASP CB C 20 39.430 39.430 38.975 0.455 18302 2698 1 7 . 1 1 20 20 ASP H H 20 7.484 7.484 7.936 -0.452 18302 2699 1 7 . 1 1 21 21 LYS N N 21 124.544 124.544 121.810 2.734 18302 2700 1 7 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.883 0.117 18302 2701 1 7 . 1 1 21 21 LYS C C 21 178.513 178.513 177.840 0.673 18302 2702 1 7 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.425 -0.725 18302 2703 1 7 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.960 2.240 18302 2704 1 7 . 1 1 21 21 LYS H H 21 7.601 7.601 8.558 -0.957 18302 2705 1 7 . 1 1 22 22 ASP N N 22 114.320 114.320 115.082 -0.762 18302 2706 1 7 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.440 0.194 18302 2707 1 7 . 1 1 22 22 ASP C C 22 178.039 178.039 177.635 0.404 18302 2708 1 7 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.309 -1.401 18302 2709 1 7 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.970 0.046 18302 2710 1 7 . 1 1 22 22 ASP H H 22 8.241 8.241 8.216 0.025 18302 2711 1 7 . 1 1 23 23 GLY N N 23 109.478 109.478 109.321 0.157 18302 2712 1 7 . 1 1 23 23 GLY C C 23 175.427 175.427 174.896 0.531 18302 2713 1 7 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.045 1.003 18302 2714 1 7 . 1 1 23 23 GLY H H 23 7.680 7.680 8.136 -0.456 18302 2715 1 7 . 1 1 24 24 ASP N N 24 121.007 121.007 119.848 1.159 18302 2716 1 7 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.598 -0.098 18302 2717 1 7 . 1 1 24 24 ASP C C 24 177.660 177.660 177.704 -0.044 18302 2718 1 7 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.229 0.851 18302 2719 1 7 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.235 -0.633 18302 2720 1 7 . 1 1 24 24 ASP H H 24 8.523 8.523 8.407 0.116 18302 2721 1 7 . 1 1 25 25 GLY N N 25 112.961 112.961 108.928 4.033 18302 2722 1 7 . 1 1 25 25 GLY C C 25 174.198 174.198 173.537 0.661 18302 2723 1 7 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.457 -0.167 18302 2724 1 7 . 1 1 25 25 GLY H H 25 10.539 10.539 8.906 1.633 18302 2725 1 7 . 1 1 26 26 THR N N 26 112.593 112.593 110.633 1.960 18302 2726 1 7 . 1 1 26 26 THR HA H 26 5.560 5.560 4.842 0.718 18302 2727 1 7 . 1 1 26 26 THR C C 26 173.991 173.991 172.588 1.403 18302 2728 1 7 . 1 1 26 26 THR CA C 26 59.500 59.500 59.899 -0.399 18302 2729 1 7 . 1 1 26 26 THR CB C 26 73.299 73.299 72.271 1.028 18302 2730 1 7 . 1 1 26 26 THR H H 26 8.304 8.304 8.502 -0.198 18302 2731 1 7 . 1 1 27 27 ILE N N 27 126.868 126.868 122.205 4.663 18302 2732 1 7 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.785 -0.035 18302 2733 1 7 . 1 1 27 27 ILE C C 27 176.338 176.338 175.524 0.814 18302 2734 1 7 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.006 1.106 18302 2735 1 7 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.323 -0.323 18302 2736 1 7 . 1 1 27 27 ILE H H 27 9.988 9.988 8.257 1.731 18302 2737 1 7 . 1 1 28 28 THR N N 28 116.237 116.237 121.631 -5.394 18302 2738 1 7 . 1 1 28 28 THR HA H 28 4.850 4.850 4.976 -0.126 18302 2739 1 7 . 1 1 28 28 THR C C 28 176.422 176.422 176.153 0.269 18302 2740 1 7 . 1 1 28 28 THR CA C 28 59.000 59.000 60.834 -1.834 18302 2741 1 7 . 1 1 28 28 THR CB C 28 72.713 72.713 71.102 1.611 18302 2742 1 7 . 1 1 28 28 THR H H 28 8.233 8.233 8.641 -0.408 18302 2743 1 7 . 1 1 29 29 THR N N 29 114.660 114.660 117.379 -2.719 18302 2744 1 7 . 1 1 29 29 THR HA H 29 3.800 3.800 3.933 -0.133 18302 2745 1 7 . 1 1 29 29 THR C C 29 177.772 177.772 176.250 1.522 18302 2746 1 7 . 1 1 29 29 THR CA C 29 66.767 66.767 66.612 0.155 18302 2747 1 7 . 1 1 29 29 THR CB C 29 68.611 68.611 68.787 -0.176 18302 2748 1 7 . 1 1 29 29 THR H H 29 9.316 9.316 8.723 0.593 18302 2749 1 7 . 1 1 30 30 LYS N N 30 121.300 121.300 121.339 -0.039 18302 2750 1 7 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.026 0.102 18302 2751 1 7 . 1 1 30 30 LYS C C 30 180.194 180.194 178.958 1.236 18302 2752 1 7 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.297 -0.944 18302 2753 1 7 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.827 0.337 18302 2754 1 7 . 1 1 30 30 LYS H H 30 7.900 7.900 8.458 -0.558 18302 2755 1 7 . 1 1 31 31 GLU N N 31 122.184 122.184 119.616 2.568 18302 2756 1 7 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.023 -0.023 18302 2757 1 7 . 1 1 31 31 GLU C C 31 178.964 178.964 178.996 -0.032 18302 2758 1 7 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.762 0.178 18302 2759 1 7 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.330 0.490 18302 2760 1 7 . 1 1 31 31 GLU H H 31 7.900 7.900 8.200 -0.300 18302 2761 1 7 . 1 1 32 32 LEU N N 32 120.000 120.000 120.660 -0.660 18302 2762 1 7 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.147 0.003 18302 2763 1 7 . 1 1 32 32 LEU C C 32 179.190 179.190 178.766 0.424 18302 2764 1 7 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.015 0.167 18302 2765 1 7 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.640 0.720 18302 2766 1 7 . 1 1 32 32 LEU H H 32 8.600 8.600 8.301 0.299 18302 2767 1 7 . 1 1 33 33 GLY N N 33 105.412 105.412 106.017 -0.605 18302 2768 1 7 . 1 1 33 33 GLY C C 33 175.371 175.371 176.070 -0.699 18302 2769 1 7 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.761 1.045 18302 2770 1 7 . 1 1 33 33 GLY H H 33 8.730 8.730 8.680 0.050 18302 2771 1 7 . 1 1 34 34 THR N N 34 118.762 118.762 119.282 -0.520 18302 2772 1 7 . 1 1 34 34 THR HA H 34 3.950 3.950 4.003 -0.053 18302 2773 1 7 . 1 1 34 34 THR C C 34 177.681 177.681 176.515 1.166 18302 2774 1 7 . 1 1 34 34 THR CA C 34 66.767 66.767 67.414 -0.647 18302 2775 1 7 . 1 1 34 34 THR CB C 34 69.197 69.197 68.588 0.608 18302 2776 1 7 . 1 1 34 34 THR H H 34 8.104 8.104 7.978 0.126 18302 2777 1 7 . 1 1 35 35 VAL N N 35 122.943 122.943 122.127 0.816 18302 2778 1 7 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.700 -0.030 18302 2779 1 7 . 1 1 35 35 VAL C C 35 179.691 179.691 178.516 1.175 18302 2780 1 7 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.696 -0.129 18302 2781 1 7 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.228 0.605 18302 2782 1 7 . 1 1 35 35 VAL H H 35 8.230 8.230 7.769 0.461 18302 2783 1 7 . 1 1 36 36 MET N N 36 118.074 118.074 117.310 0.764 18302 2784 1 7 . 1 1 36 36 MET HA H 36 4.124 4.124 4.170 -0.046 18302 2785 1 7 . 1 1 36 36 MET C C 36 179.518 179.518 178.378 1.140 18302 2786 1 7 . 1 1 36 36 MET CA C 36 58.400 58.400 57.682 0.718 18302 2787 1 7 . 1 1 36 36 MET CB C 36 31.233 31.233 31.265 -0.032 18302 2788 1 7 . 1 1 36 36 MET H H 36 8.746 8.746 8.660 0.086 18302 2789 1 7 . 1 1 37 37 ARG N N 37 118.931 118.931 121.176 -2.245 18302 2790 1 7 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.200 0.650 18302 2791 1 7 . 1 1 37 37 ARG C C 37 181.608 181.608 179.443 2.165 18302 2792 1 7 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.096 0.258 18302 2793 1 7 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.039 -0.219 18302 2794 1 7 . 1 1 37 37 ARG H H 37 8.559 8.559 8.809 -0.250 18302 2795 1 7 . 1 1 38 38 SER N N 38 119.164 119.164 116.779 2.385 18302 2796 1 7 . 1 1 38 38 SER HA H 38 4.445 4.445 4.233 0.212 18302 2797 1 7 . 1 1 38 38 SER C C 38 175.212 175.212 176.004 -0.792 18302 2798 1 7 . 1 1 38 38 SER CA C 38 61.698 61.698 61.661 0.037 18302 2799 1 7 . 1 1 38 38 SER CB C 38 62.733 62.733 62.758 -0.025 18302 2800 1 7 . 1 1 38 38 SER H H 38 8.075 8.075 8.573 -0.498 18302 2801 1 7 . 1 1 39 39 LEU N N 39 120.667 120.667 118.675 1.992 18302 2802 1 7 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.424 -0.194 18302 2803 1 7 . 1 1 39 39 LEU C C 39 177.740 177.740 177.490 0.250 18302 2804 1 7 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.231 -0.928 18302 2805 1 7 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.703 -0.929 18302 2806 1 7 . 1 1 39 39 LEU H H 39 7.419 7.419 7.398 0.021 18302 2807 1 7 . 1 1 40 40 GLY N N 40 107.175 107.175 106.682 0.493 18302 2808 1 7 . 1 1 40 40 GLY C C 40 174.723 174.723 174.014 0.709 18302 2809 1 7 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.578 0.922 18302 2810 1 7 . 1 1 40 40 GLY H H 40 7.900 7.900 7.959 -0.059 18302 2811 1 7 . 1 1 41 41 GLN N N 41 117.918 117.918 120.182 -2.264 18302 2812 1 7 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.363 -0.233 18302 2813 1 7 . 1 1 41 41 GLN C C 41 174.428 174.428 176.172 -1.744 18302 2814 1 7 . 1 1 41 41 GLN CA C 41 55.000 55.000 55.175 -0.174 18302 2815 1 7 . 1 1 41 41 GLN CB C 41 29.820 29.820 29.972 -0.152 18302 2816 1 7 . 1 1 41 41 GLN H H 41 7.746 7.746 8.120 -0.374 18302 2817 1 7 . 1 1 42 42 ASN N N 42 119.000 119.000 123.196 -4.196 18302 2818 1 7 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.595 0.005 18302 2819 1 7 . 1 1 42 42 ASN H H 42 8.250 8.250 8.626 -0.376 18302 2820 1 7 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.432 0.768 18302 2821 1 7 . 1 1 43 43 PRO C C 43 177.909 177.909 176.389 1.520 18302 2822 1 7 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.053 -0.769 18302 2823 1 7 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.304 -0.571 18302 2824 1 7 . 1 1 44 44 THR N N 44 113.390 113.390 107.679 5.711 18302 2825 1 7 . 1 1 44 44 THR HA H 44 4.450 4.450 4.122 0.328 18302 2826 1 7 . 1 1 44 44 THR C C 44 175.483 175.483 174.563 0.920 18302 2827 1 7 . 1 1 44 44 THR CA C 44 60.526 60.526 62.138 -1.612 18302 2828 1 7 . 1 1 44 44 THR CB C 44 71.541 71.541 68.978 2.563 18302 2829 1 7 . 1 1 44 44 THR H H 44 8.982 8.982 7.993 0.989 18302 2830 1 7 . 1 1 45 45 GLU N N 45 120.632 120.632 126.304 -5.672 18302 2831 1 7 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.137 -0.187 18302 2832 1 7 . 1 1 45 45 GLU C C 45 179.348 179.348 178.150 1.198 18302 2833 1 7 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.095 0.905 18302 2834 1 7 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.617 0.116 18302 2835 1 7 . 1 1 45 45 GLU H H 45 8.854 8.854 8.713 0.141 18302 2836 1 7 . 1 1 46 46 THR N N 46 121.035 121.035 122.419 -1.384 18302 2837 1 7 . 1 1 46 46 THR HA H 46 4.121 4.121 4.271 -0.150 18302 2838 1 7 . 1 1 46 46 THR C C 46 175.463 175.463 176.702 -1.239 18302 2839 1 7 . 1 1 46 46 THR CA C 46 62.324 62.324 64.916 -2.592 18302 2840 1 7 . 1 1 46 46 THR CB C 46 70.088 70.088 67.626 2.462 18302 2841 1 7 . 1 1 46 46 THR H H 46 8.295 8.295 8.427 -0.132 18302 2842 1 7 . 1 1 47 47 GLY N N 47 111.232 111.232 106.719 4.513 18302 2843 1 7 . 1 1 47 47 GLY HA H 47 3.937 3.937 3.966 -0.029 18302 2844 1 7 . 1 1 47 47 GLY C C 47 174.998 174.998 177.272 -2.274 18302 2845 1 7 . 1 1 47 47 GLY CA C 47 45.921 45.921 48.151 -2.230 18302 2846 1 7 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.221 0.599 18302 2847 1 7 . 1 1 47 47 GLY H H 47 8.720 8.720 8.390 0.330 18302 2848 1 7 . 1 1 48 48 ALA N N 48 124.417 124.417 121.871 2.546 18302 2849 1 7 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.963 0.319 18302 2850 1 7 . 1 1 48 48 ALA C C 48 177.866 177.866 179.770 -1.904 18302 2851 1 7 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.259 -1.434 18302 2852 1 7 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.480 0.907 18302 2853 1 7 . 1 1 48 48 ALA H H 48 8.365 8.365 8.174 0.191 18302 2854 1 7 . 1 1 49 49 ALA N N 49 122.129 122.129 119.642 2.487 18302 2855 1 7 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.891 0.355 18302 2856 1 7 . 1 1 49 49 ALA C C 49 178.647 178.647 179.891 -1.244 18302 2857 1 7 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.227 -2.055 18302 2858 1 7 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.547 -2.398 18302 2859 1 7 . 1 1 49 49 ALA H H 49 8.318 8.318 7.990 0.328 18302 2860 1 7 . 1 1 50 50 LEU N N 50 120.817 120.817 121.235 -0.418 18302 2861 1 7 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.228 -0.103 18302 2862 1 7 . 1 1 50 50 LEU C C 50 177.367 177.367 178.609 -1.242 18302 2863 1 7 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.308 -1.582 18302 2864 1 7 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.026 0.074 18302 2865 1 7 . 1 1 50 50 LEU H H 50 8.126 8.126 7.367 0.759 18302 2866 1 7 . 1 1 51 51 SER N N 51 116.273 116.273 115.225 1.048 18302 2867 1 7 . 1 1 51 51 SER HA H 51 4.057 4.057 4.147 -0.090 18302 2868 1 7 . 1 1 51 51 SER C C 51 175.939 175.939 177.313 -1.374 18302 2869 1 7 . 1 1 51 51 SER CA C 51 61.429 61.429 61.109 0.320 18302 2870 1 7 . 1 1 51 51 SER CB C 51 28.648 28.648 32.161 -3.514 18302 2871 1 7 . 1 1 51 51 SER H H 51 7.917 7.917 7.802 0.115 18302 2872 1 7 . 1 1 52 52 TRP N N 52 123.132 123.132 119.848 3.284 18302 2873 1 7 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.069 0.528 18302 2874 1 7 . 1 1 52 52 TRP C C 52 178.377 178.377 178.020 0.357 18302 2875 1 7 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.056 0.609 18302 2876 1 7 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.187 0.201 18302 2877 1 7 . 1 1 52 52 TRP H H 52 8.732 8.732 8.410 0.322 18302 2878 1 7 . 1 1 53 53 GLN N N 53 117.115 117.115 118.486 -1.371 18302 2879 1 7 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.096 -0.127 18302 2880 1 7 . 1 1 53 53 GLN C C 53 177.779 177.779 178.637 -0.858 18302 2881 1 7 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.651 0.681 18302 2882 1 7 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.249 -0.099 18302 2883 1 7 . 1 1 53 53 GLN H H 53 8.480 8.480 7.684 0.796 18302 2884 1 7 . 1 1 54 54 ALA N N 54 120.557 120.557 121.166 -0.609 18302 2885 1 7 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.162 0.106 18302 2886 1 7 . 1 1 54 54 ALA C C 54 181.023 181.023 178.612 2.411 18302 2887 1 7 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.162 0.478 18302 2888 1 7 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.308 -0.699 18302 2889 1 7 . 1 1 54 54 ALA H H 54 8.003 8.003 7.483 0.520 18302 2890 1 7 . 1 1 55 55 ALA N N 55 122.442 122.442 115.017 7.425 18302 2891 1 7 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.449 -0.332 18302 2892 1 7 . 1 1 55 55 ALA C C 55 179.069 179.069 176.818 2.251 18302 2893 1 7 . 1 1 55 55 ALA CA C 55 55.478 55.478 51.207 4.271 18302 2894 1 7 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.876 -0.641 18302 2895 1 7 . 1 1 55 55 ALA H H 55 8.283 8.283 7.092 1.191 18302 2896 1 7 . 1 1 56 56 ILE N N 56 119.035 119.035 120.642 -1.607 18302 2897 1 7 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.190 -0.379 18302 2898 1 7 . 1 1 56 56 ILE C C 56 177.968 177.968 175.645 2.323 18302 2899 1 7 . 1 1 56 56 ILE CA C 56 65.950 65.950 60.306 5.644 18302 2900 1 7 . 1 1 56 56 ILE CB C 56 38.315 38.315 37.425 0.890 18302 2901 1 7 . 1 1 56 56 ILE H H 56 8.682 8.682 7.387 1.295 18302 2902 1 7 . 1 1 57 57 ASP N N 57 119.160 119.160 126.514 -7.354 18302 2903 1 7 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.392 0.008 18302 2904 1 7 . 1 1 57 57 ASP C C 57 179.117 179.117 177.065 2.052 18302 2905 1 7 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.611 -2.921 18302 2906 1 7 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.877 -0.237 18302 2907 1 7 . 1 1 57 57 ASP H H 57 8.393 8.393 8.670 -0.277 18302 2908 1 7 . 1 1 58 58 ALA N N 58 122.077 122.077 120.024 2.053 18302 2909 1 7 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.247 0.253 18302 2910 1 7 . 1 1 58 58 ALA C C 58 180.605 180.605 177.872 2.733 18302 2911 1 7 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.185 3.783 18302 2912 1 7 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.259 -0.725 18302 2913 1 7 . 1 1 58 58 ALA H H 58 8.153 8.153 8.025 0.128 18302 2914 1 7 . 1 1 59 59 ALA N N 59 123.120 123.120 121.843 1.277 18302 2915 1 7 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.941 0.105 18302 2916 1 7 . 1 1 59 59 ALA C C 59 180.385 180.385 177.929 2.456 18302 2917 1 7 . 1 1 59 59 ALA CA C 59 54.929 54.929 53.051 1.878 18302 2918 1 7 . 1 1 59 59 ALA H H 59 8.807 8.807 8.250 0.557 18302 2919 1 7 . 1 1 60 60 ARG N N 60 119.705 119.705 118.949 0.756 18302 2920 1 7 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.233 -0.245 18302 2921 1 7 . 1 1 60 60 ARG C C 60 179.348 179.348 176.951 2.397 18302 2922 1 7 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.178 3.430 18302 2923 1 7 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.161 0.134 18302 2924 1 7 . 1 1 60 60 ARG H H 60 8.674 8.674 8.220 0.454 18302 2925 1 7 . 1 1 61 61 GLN N N 61 119.132 119.132 117.328 1.804 18302 2926 1 7 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.094 0.002 18302 2927 1 7 . 1 1 61 61 GLN C C 61 177.615 177.615 174.392 3.223 18302 2928 1 7 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.911 2.318 18302 2929 1 7 . 1 1 61 61 GLN H H 61 8.053 8.053 8.375 -0.322 18302 2930 1 7 . 1 1 62 62 ALA N N 62 120.910 120.910 118.351 2.559 18302 2931 1 7 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.189 -1.012 18302 2932 1 7 . 1 1 62 62 ALA C C 62 179.311 179.311 176.034 3.277 18302 2933 1 7 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.449 4.498 18302 2934 1 7 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.183 -3.647 18302 2935 1 7 . 1 1 62 62 ALA H H 62 7.920 7.920 7.280 0.640 18302 2936 1 7 . 1 1 63 63 LYS N N 63 117.863 117.863 121.815 -3.952 18302 2937 1 7 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.525 -0.369 18302 2938 1 7 . 1 1 63 63 LYS C C 63 178.324 178.324 175.750 2.574 18302 2939 1 7 . 1 1 63 63 LYS CA C 63 57.887 57.887 55.532 2.355 18302 2940 1 7 . 1 1 63 63 LYS CB C 63 31.780 31.780 34.967 -3.187 18302 2941 1 7 . 1 1 63 63 LYS H H 63 7.680 7.680 8.564 -0.884 18302 2942 1 7 . 1 1 64 64 LEU N N 64 119.697 119.697 126.989 -7.292 18302 2943 1 7 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.573 -0.380 18302 2944 1 7 . 1 1 64 64 LEU C C 64 178.459 178.459 178.087 0.372 18302 2945 1 7 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.254 2.189 18302 2946 1 7 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.131 -0.970 18302 2947 1 7 . 1 1 64 64 LEU H H 64 7.895 7.895 8.484 -0.589 18302 2948 1 7 . 1 1 65 65 MET N N 65 117.184 117.184 120.319 -3.135 18302 2949 1 7 . 1 1 65 65 MET HA H 65 4.472 4.472 4.197 0.275 18302 2950 1 7 . 1 1 65 65 MET C C 65 177.053 177.053 176.071 0.982 18302 2951 1 7 . 1 1 65 65 MET CA C 65 55.889 55.889 61.666 -5.777 18302 2952 1 7 . 1 1 65 65 MET CB C 65 33.010 33.010 30.165 2.845 18302 2953 1 7 . 1 1 65 65 MET H H 65 7.958 7.958 9.186 -1.228 18302 2954 1 7 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.062 -0.212 18302 2955 1 7 . 1 1 66 66 GLY C C 66 174.137 174.137 176.029 -1.892 18302 2956 1 7 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.927 -2.337 18302 2957 1 7 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.853 -0.020 18302 2958 1 7 . 1 1 67 67 SER N N 67 115.622 115.622 113.579 2.043 18302 2959 1 7 . 1 1 67 67 SER HA H 67 4.472 4.472 4.140 0.332 18302 2960 1 7 . 1 1 67 67 SER C C 67 173.300 173.300 176.828 -3.528 18302 2961 1 7 . 1 1 67 67 SER CA C 67 58.182 58.182 61.358 -3.176 18302 2962 1 7 . 1 1 67 67 SER CB C 67 64.389 64.389 62.355 2.034 18302 2963 1 7 . 1 1 67 67 SER H H 67 8.127 8.127 8.488 -0.361 18302 2964 1 7 . 1 1 68 68 ALA N N 68 131.351 131.351 123.046 8.305 18302 2965 1 7 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.987 0.213 18302 2966 1 7 . 1 1 68 68 ALA C C 68 176.792 176.792 177.666 -0.874 18302 2967 1 7 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.263 -1.147 18302 2968 1 7 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.369 0.878 18302 2969 1 7 . 1 1 68 68 ALA H H 68 7.984 7.984 7.650 0.334 18302 2970 1 7 . 1 1 69 69 LEU N N 69 119.986 119.986 118.486 1.500 18302 2971 1 7 . 1 1 69 69 LEU HA H 69 3.350 3.350 4.084 -0.734 18302 2972 1 7 . 1 1 69 69 LEU C C 69 178.468 178.468 177.729 0.739 18302 2973 1 7 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.429 0.490 18302 2974 1 7 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.486 -0.485 18302 2975 1 7 . 1 1 69 69 LEU H H 69 9.062 9.062 7.574 1.488 18302 2976 1 7 . 1 1 70 70 THR N N 70 114.834 114.834 114.589 0.245 18302 2977 1 7 . 1 1 70 70 THR HA H 70 4.100 4.100 4.069 0.031 18302 2978 1 7 . 1 1 70 70 THR C C 70 176.391 176.391 176.681 -0.290 18302 2979 1 7 . 1 1 70 70 THR CA C 70 61.833 61.833 65.607 -3.774 18302 2980 1 7 . 1 1 70 70 THR CB C 70 68.267 68.267 69.276 -1.009 18302 2981 1 7 . 1 1 70 70 THR H H 70 7.710 7.710 7.605 0.105 18302 2982 1 7 . 1 1 71 71 MET N N 71 120.233 120.233 120.861 -0.628 18302 2983 1 7 . 1 1 71 71 MET HA H 71 3.850 3.850 3.930 -0.080 18302 2984 1 7 . 1 1 71 71 MET C C 71 178.145 178.145 177.119 1.026 18302 2985 1 7 . 1 1 71 71 MET CA C 71 58.768 58.768 58.930 -0.162 18302 2986 1 7 . 1 1 71 71 MET CB C 71 31.233 31.233 31.999 -0.766 18302 2987 1 7 . 1 1 71 71 MET H H 71 7.034 7.034 8.114 -1.080 18302 2988 1 7 . 1 1 72 72 MET N N 72 118.621 118.621 114.650 3.971 18302 2989 1 7 . 1 1 72 72 MET HA H 72 3.800 3.800 4.263 -0.463 18302 2990 1 7 . 1 1 72 72 MET C C 72 178.930 178.930 176.401 2.529 18302 2991 1 7 . 1 1 72 72 MET CA C 72 56.500 56.500 57.239 -0.738 18302 2992 1 7 . 1 1 72 72 MET CB C 72 32.733 32.733 32.366 0.367 18302 2993 1 7 . 1 1 72 72 MET H H 72 7.839 7.839 7.519 0.320 18302 2994 1 7 . 1 1 73 73 ALA N N 73 120.567 120.567 123.204 -2.637 18302 2995 1 7 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.203 -0.068 18302 2996 1 7 . 1 1 73 73 ALA C C 73 179.332 179.332 179.387 -0.055 18302 2997 1 7 . 1 1 73 73 ALA CA C 73 54.080 54.080 53.771 0.309 18302 2998 1 7 . 1 1 73 73 ALA CB C 73 18.453 18.453 19.316 -0.863 18302 2999 1 7 . 1 1 73 73 ALA H H 73 8.240 8.240 8.075 0.165 18302 3000 1 7 . 1 1 74 74 ARG N N 74 116.784 116.784 118.119 -1.335 18302 3001 1 7 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.039 0.098 18302 3002 1 7 . 1 1 74 74 ARG C C 74 177.511 177.511 177.241 0.270 18302 3003 1 7 . 1 1 74 74 ARG CA C 74 57.596 57.596 57.424 0.172 18302 3004 1 7 . 1 1 74 74 ARG CB C 74 30.406 30.406 29.963 0.443 18302 3005 1 7 . 1 1 74 74 ARG H H 74 7.382 7.382 7.900 -0.518 18302 3006 1 7 . 1 1 75 75 LYS N N 75 118.548 118.548 117.054 1.494 18302 3007 1 7 . 1 1 75 75 LYS HA H 75 4.306 4.306 3.780 0.526 18302 3008 1 7 . 1 1 75 75 LYS C C 75 176.937 176.937 176.335 0.602 18302 3009 1 7 . 1 1 75 75 LYS CA C 75 55.000 55.000 58.805 -3.805 18302 3010 1 7 . 1 1 75 75 LYS CB C 75 32.750 32.750 31.070 1.680 18302 3011 1 7 . 1 1 75 75 LYS H H 75 7.732 7.732 7.708 0.024 18302 3012 1 7 . 1 1 76 76 MET N N 76 120.367 120.367 119.831 0.536 18302 3013 1 7 . 1 1 76 76 MET HA H 76 4.443 4.443 4.494 -0.051 18302 3014 1 7 . 1 1 76 76 MET C C 76 175.539 175.539 176.113 -0.574 18302 3015 1 7 . 1 1 76 76 MET CA C 76 55.500 55.500 56.158 -0.658 18302 3016 1 7 . 1 1 76 76 MET CB C 76 32.733 32.733 33.415 -0.682 18302 3017 1 7 . 1 1 76 76 MET H H 76 7.863 7.863 8.258 -0.395 18302 3018 1 8 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.539 0.077 18302 3019 1 8 . 1 1 2 2 ASP C C 2 175.975 175.975 176.137 -0.162 18302 3020 1 8 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.953 -0.287 18302 3021 1 8 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.969 0.219 18302 3022 1 8 . 1 1 3 3 GLN N N 3 119.995 119.995 117.867 2.128 18302 3023 1 8 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.460 -0.077 18302 3024 1 8 . 1 1 3 3 GLN C C 3 175.927 175.927 175.075 0.852 18302 3025 1 8 . 1 1 3 3 GLN CA C 3 52.653 52.653 54.633 -1.980 18302 3026 1 8 . 1 1 3 3 GLN CB C 3 29.234 29.234 32.303 -3.070 18302 3027 1 8 . 1 1 3 3 GLN H H 3 8.414 8.414 7.671 0.743 18302 3028 1 8 . 1 1 4 4 LEU N N 4 123.586 123.586 120.567 3.019 18302 3029 1 8 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.419 0.251 18302 3030 1 8 . 1 1 4 4 LEU C C 4 177.983 177.983 177.020 0.963 18302 3031 1 8 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.163 -1.497 18302 3032 1 8 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.016 1.516 18302 3033 1 8 . 1 1 4 4 LEU H H 4 8.352 8.352 8.544 -0.192 18302 3034 1 8 . 1 1 5 5 THR N N 5 113.292 113.292 110.973 2.319 18302 3035 1 8 . 1 1 5 5 THR HA H 5 4.470 4.470 4.469 0.001 18302 3036 1 8 . 1 1 5 5 THR C C 5 175.729 175.729 174.427 1.302 18302 3037 1 8 . 1 1 5 5 THR CA C 5 60.526 60.526 61.550 -1.024 18302 3038 1 8 . 1 1 5 5 THR CB C 5 71.541 71.541 70.986 0.555 18302 3039 1 8 . 1 1 5 5 THR H H 5 8.735 8.735 7.846 0.889 18302 3040 1 8 . 1 1 6 6 GLU N N 6 120.507 120.507 123.222 -2.715 18302 3041 1 8 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.926 0.065 18302 3042 1 8 . 1 1 6 6 GLU C C 6 179.816 179.816 178.057 1.759 18302 3043 1 8 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.979 -1.039 18302 3044 1 8 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.634 -0.400 18302 3045 1 8 . 1 1 6 6 GLU H H 6 9.060 9.060 8.786 0.274 18302 3046 1 8 . 1 1 7 7 GLU N N 7 120.000 120.000 118.259 1.741 18302 3047 1 8 . 1 1 7 7 GLU HA H 7 4.085 4.085 4.006 0.079 18302 3048 1 8 . 1 1 7 7 GLU C C 7 179.588 179.588 178.910 0.678 18302 3049 1 8 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.741 0.199 18302 3050 1 8 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.650 0.183 18302 3051 1 8 . 1 1 7 7 GLU H H 7 8.770 8.770 8.791 -0.021 18302 3052 1 8 . 1 1 8 8 GLN N N 8 120.798 120.798 118.949 1.849 18302 3053 1 8 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.100 -0.270 18302 3054 1 8 . 1 1 8 8 GLN C C 8 178.179 178.179 178.946 -0.767 18302 3055 1 8 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.906 -0.586 18302 3056 1 8 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.597 0.636 18302 3057 1 8 . 1 1 8 8 GLN H H 8 7.755 7.755 8.259 -0.504 18302 3058 1 8 . 1 1 9 9 ILE N N 9 119.028 119.028 116.559 2.469 18302 3059 1 8 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.952 -0.352 18302 3060 1 8 . 1 1 9 9 ILE C C 9 178.147 178.147 178.154 -0.007 18302 3061 1 8 . 1 1 9 9 ILE CA C 9 66.620 66.620 65.059 1.560 18302 3062 1 8 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.365 0.287 18302 3063 1 8 . 1 1 9 9 ILE H H 9 8.253 8.253 7.862 0.391 18302 3064 1 8 . 1 1 10 10 ALA N N 10 120.587 120.587 122.832 -2.245 18302 3065 1 8 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.879 0.261 18302 3066 1 8 . 1 1 10 10 ALA C C 10 181.279 181.279 179.264 2.015 18302 3067 1 8 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.294 -0.042 18302 3068 1 8 . 1 1 10 10 ALA CB C 10 17.500 17.500 18.132 -0.632 18302 3069 1 8 . 1 1 10 10 ALA H H 10 8.051 8.051 8.329 -0.278 18302 3070 1 8 . 1 1 11 11 GLU N N 11 120.436 120.436 120.251 0.185 18302 3071 1 8 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.036 0.159 18302 3072 1 8 . 1 1 11 11 GLU C C 11 180.542 180.542 178.582 1.960 18302 3073 1 8 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.466 -0.112 18302 3074 1 8 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.855 -0.621 18302 3075 1 8 . 1 1 11 11 GLU H H 11 7.795 7.795 8.542 -0.747 18302 3076 1 8 . 1 1 12 12 PHE N N 12 120.654 120.654 120.248 0.406 18302 3077 1 8 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.132 0.918 18302 3078 1 8 . 1 1 12 12 PHE C C 12 179.155 179.155 177.476 1.679 18302 3079 1 8 . 1 1 12 12 PHE CA C 12 58.760 58.760 61.106 -2.346 18302 3080 1 8 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.922 -1.922 18302 3081 1 8 . 1 1 12 12 PHE H H 12 8.541 8.541 8.712 -0.171 18302 3082 1 8 . 1 1 13 13 LYS N N 13 123.600 123.600 119.903 3.697 18302 3083 1 8 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.197 0.796 18302 3084 1 8 . 1 1 13 13 LYS C C 13 179.523 179.523 178.661 0.862 18302 3085 1 8 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.067 0.873 18302 3086 1 8 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.742 -0.009 18302 3087 1 8 . 1 1 13 13 LYS H H 13 9.279 9.279 7.595 1.684 18302 3088 1 8 . 1 1 14 14 GLU N N 14 121.150 121.150 118.724 2.426 18302 3089 1 8 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.920 0.201 18302 3090 1 8 . 1 1 14 14 GLU C C 14 179.859 179.859 178.773 1.086 18302 3091 1 8 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.006 0.348 18302 3092 1 8 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.276 0.457 18302 3093 1 8 . 1 1 14 14 GLU H H 14 8.036 8.036 8.174 -0.138 18302 3094 1 8 . 1 1 15 15 ALA N N 15 122.010 122.010 121.545 0.465 18302 3095 1 8 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.568 0.781 18302 3096 1 8 . 1 1 15 15 ALA C C 15 178.785 178.785 179.124 -0.339 18302 3097 1 8 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.620 0.631 18302 3098 1 8 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.110 -0.110 18302 3099 1 8 . 1 1 15 15 ALA H H 15 8.034 8.034 8.127 -0.093 18302 3100 1 8 . 1 1 16 16 PHE N N 16 119.032 119.032 119.132 -0.100 18302 3101 1 8 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.979 -0.679 18302 3102 1 8 . 1 1 16 16 PHE C C 16 178.534 178.534 176.985 1.549 18302 3103 1 8 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.775 2.225 18302 3104 1 8 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.550 1.450 18302 3105 1 8 . 1 1 16 16 PHE H H 16 8.633 8.633 8.037 0.596 18302 3106 1 8 . 1 1 17 17 SER N N 17 113.786 113.786 113.692 0.094 18302 3107 1 8 . 1 1 17 17 SER HA H 17 4.100 4.100 3.264 0.836 18302 3108 1 8 . 1 1 17 17 SER C C 17 174.639 174.639 175.790 -1.151 18302 3109 1 8 . 1 1 17 17 SER CA C 17 61.500 61.500 60.167 1.333 18302 3110 1 8 . 1 1 17 17 SER CB C 17 63.500 63.500 62.650 0.850 18302 3111 1 8 . 1 1 17 17 SER H H 17 8.215 8.215 7.380 0.835 18302 3112 1 8 . 1 1 18 18 LEU N N 18 120.113 120.113 119.885 0.228 18302 3113 1 8 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.800 0.080 18302 3114 1 8 . 1 1 18 18 LEU C C 18 177.151 177.151 178.344 -1.193 18302 3115 1 8 . 1 1 18 18 LEU CA C 18 56.500 56.500 56.986 -0.486 18302 3116 1 8 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.787 -0.287 18302 3117 1 8 . 1 1 18 18 LEU H H 18 7.417 7.417 7.012 0.405 18302 3118 1 8 . 1 1 19 19 PHE N N 19 112.070 112.070 115.580 -3.510 18302 3119 1 8 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.211 0.189 18302 3120 1 8 . 1 1 19 19 PHE C C 19 175.699 175.699 176.544 -0.845 18302 3121 1 8 . 1 1 19 19 PHE CA C 19 58.400 58.400 58.018 0.382 18302 3122 1 8 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.764 3.136 18302 3123 1 8 . 1 1 19 19 PHE H H 19 7.043 7.043 6.997 0.046 18302 3124 1 8 . 1 1 20 20 ASP N N 20 116.223 116.223 120.152 -3.929 18302 3125 1 8 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.507 0.093 18302 3126 1 8 . 1 1 20 20 ASP C C 20 177.625 177.625 177.141 0.484 18302 3127 1 8 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.656 -2.334 18302 3128 1 8 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.730 -0.300 18302 3129 1 8 . 1 1 20 20 ASP H H 20 7.484 7.484 7.631 -0.147 18302 3130 1 8 . 1 1 21 21 LYS N N 21 124.544 124.544 123.912 0.632 18302 3131 1 8 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.970 0.029 18302 3132 1 8 . 1 1 21 21 LYS C C 21 178.513 178.513 178.029 0.484 18302 3133 1 8 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.388 -0.688 18302 3134 1 8 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.289 1.911 18302 3135 1 8 . 1 1 21 21 LYS H H 21 7.601 7.601 8.400 -0.799 18302 3136 1 8 . 1 1 22 22 ASP N N 22 114.320 114.320 116.216 -1.896 18302 3137 1 8 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.475 0.159 18302 3138 1 8 . 1 1 22 22 ASP C C 22 178.039 178.039 177.136 0.903 18302 3139 1 8 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.777 -1.869 18302 3140 1 8 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.779 -0.763 18302 3141 1 8 . 1 1 22 22 ASP H H 22 8.241 8.241 7.927 0.314 18302 3142 1 8 . 1 1 23 23 GLY N N 23 109.478 109.478 108.566 0.912 18302 3143 1 8 . 1 1 23 23 GLY C C 23 175.427 175.427 174.659 0.768 18302 3144 1 8 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.970 1.078 18302 3145 1 8 . 1 1 23 23 GLY H H 23 7.680 7.680 7.802 -0.122 18302 3146 1 8 . 1 1 24 24 ASP N N 24 121.007 121.007 120.201 0.806 18302 3147 1 8 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.595 -0.095 18302 3148 1 8 . 1 1 24 24 ASP C C 24 177.660 177.660 177.699 -0.039 18302 3149 1 8 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.178 0.902 18302 3150 1 8 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.558 -0.956 18302 3151 1 8 . 1 1 24 24 ASP H H 24 8.523 8.523 8.068 0.455 18302 3152 1 8 . 1 1 25 25 GLY N N 25 112.961 112.961 109.667 3.294 18302 3153 1 8 . 1 1 25 25 GLY C C 25 174.198 174.198 173.347 0.851 18302 3154 1 8 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.386 -0.097 18302 3155 1 8 . 1 1 25 25 GLY H H 25 10.539 10.539 9.380 1.159 18302 3156 1 8 . 1 1 26 26 THR N N 26 112.593 112.593 110.396 2.197 18302 3157 1 8 . 1 1 26 26 THR HA H 26 5.560 5.560 4.886 0.674 18302 3158 1 8 . 1 1 26 26 THR C C 26 173.991 173.991 173.084 0.907 18302 3159 1 8 . 1 1 26 26 THR CA C 26 59.500 59.500 59.795 -0.295 18302 3160 1 8 . 1 1 26 26 THR CB C 26 73.299 73.299 72.395 0.904 18302 3161 1 8 . 1 1 26 26 THR H H 26 8.304 8.304 8.493 -0.189 18302 3162 1 8 . 1 1 27 27 ILE N N 27 126.868 126.868 122.426 4.442 18302 3163 1 8 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.889 -0.139 18302 3164 1 8 . 1 1 27 27 ILE C C 27 176.338 176.338 175.494 0.844 18302 3165 1 8 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.323 0.789 18302 3166 1 8 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.802 -0.802 18302 3167 1 8 . 1 1 27 27 ILE H H 27 9.988 9.988 8.305 1.683 18302 3168 1 8 . 1 1 28 28 THR N N 28 116.237 116.237 119.094 -2.857 18302 3169 1 8 . 1 1 28 28 THR HA H 28 4.850 4.850 4.903 -0.053 18302 3170 1 8 . 1 1 28 28 THR C C 28 176.422 176.422 175.635 0.787 18302 3171 1 8 . 1 1 28 28 THR CA C 28 59.000 59.000 60.768 -1.768 18302 3172 1 8 . 1 1 28 28 THR CB C 28 72.713 72.713 71.965 0.748 18302 3173 1 8 . 1 1 28 28 THR H H 28 8.233 8.233 8.166 0.067 18302 3174 1 8 . 1 1 29 29 THR N N 29 114.660 114.660 117.444 -2.784 18302 3175 1 8 . 1 1 29 29 THR HA H 29 3.800 3.800 3.927 -0.127 18302 3176 1 8 . 1 1 29 29 THR C C 29 177.772 177.772 176.178 1.594 18302 3177 1 8 . 1 1 29 29 THR CA C 29 66.767 66.767 66.124 0.643 18302 3178 1 8 . 1 1 29 29 THR CB C 29 68.611 68.611 68.495 0.116 18302 3179 1 8 . 1 1 29 29 THR H H 29 9.316 9.316 8.988 0.328 18302 3180 1 8 . 1 1 30 30 LYS N N 30 121.300 121.300 122.233 -0.933 18302 3181 1 8 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.083 0.045 18302 3182 1 8 . 1 1 30 30 LYS C C 30 180.194 180.194 178.822 1.372 18302 3183 1 8 . 1 1 30 30 LYS CA C 30 59.354 59.354 59.987 -0.633 18302 3184 1 8 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.746 0.418 18302 3185 1 8 . 1 1 30 30 LYS H H 30 7.900 7.900 8.440 -0.540 18302 3186 1 8 . 1 1 31 31 GLU N N 31 122.184 122.184 119.996 2.188 18302 3187 1 8 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.035 -0.035 18302 3188 1 8 . 1 1 31 31 GLU C C 31 178.964 178.964 178.969 -0.005 18302 3189 1 8 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.408 0.532 18302 3190 1 8 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.324 0.496 18302 3191 1 8 . 1 1 31 31 GLU H H 31 7.900 7.900 8.031 -0.131 18302 3192 1 8 . 1 1 32 32 LEU N N 32 120.000 120.000 120.511 -0.511 18302 3193 1 8 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.063 0.087 18302 3194 1 8 . 1 1 32 32 LEU C C 32 179.190 179.190 178.475 0.715 18302 3195 1 8 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.048 0.134 18302 3196 1 8 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.581 0.779 18302 3197 1 8 . 1 1 32 32 LEU H H 32 8.600 8.600 8.417 0.183 18302 3198 1 8 . 1 1 33 33 GLY N N 33 105.412 105.412 105.836 -0.424 18302 3199 1 8 . 1 1 33 33 GLY C C 33 175.371 175.371 175.790 -0.419 18302 3200 1 8 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.695 1.111 18302 3201 1 8 . 1 1 33 33 GLY H H 33 8.730 8.730 8.494 0.236 18302 3202 1 8 . 1 1 34 34 THR N N 34 118.762 118.762 119.520 -0.758 18302 3203 1 8 . 1 1 34 34 THR HA H 34 3.950 3.950 3.928 0.022 18302 3204 1 8 . 1 1 34 34 THR C C 34 177.681 177.681 176.329 1.352 18302 3205 1 8 . 1 1 34 34 THR CA C 34 66.767 66.767 67.256 -0.489 18302 3206 1 8 . 1 1 34 34 THR CB C 34 69.197 69.197 68.755 0.441 18302 3207 1 8 . 1 1 34 34 THR H H 34 8.104 8.104 7.852 0.252 18302 3208 1 8 . 1 1 35 35 VAL N N 35 122.943 122.943 121.569 1.374 18302 3209 1 8 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.688 -0.018 18302 3210 1 8 . 1 1 35 35 VAL C C 35 179.691 179.691 178.121 1.570 18302 3211 1 8 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.707 -0.140 18302 3212 1 8 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.331 0.502 18302 3213 1 8 . 1 1 35 35 VAL H H 35 8.230 8.230 7.544 0.686 18302 3214 1 8 . 1 1 36 36 MET N N 36 118.074 118.074 117.998 0.076 18302 3215 1 8 . 1 1 36 36 MET HA H 36 4.124 4.124 4.059 0.065 18302 3216 1 8 . 1 1 36 36 MET C C 36 179.518 179.518 178.382 1.136 18302 3217 1 8 . 1 1 36 36 MET CA C 36 58.400 58.400 59.568 -1.168 18302 3218 1 8 . 1 1 36 36 MET CB C 36 31.233 31.233 32.327 -1.094 18302 3219 1 8 . 1 1 36 36 MET H H 36 8.746 8.746 8.578 0.168 18302 3220 1 8 . 1 1 37 37 ARG N N 37 118.931 118.931 119.615 -0.684 18302 3221 1 8 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.072 0.778 18302 3222 1 8 . 1 1 37 37 ARG C C 37 181.608 181.608 179.161 2.447 18302 3223 1 8 . 1 1 37 37 ARG CA C 37 59.354 59.354 58.686 0.668 18302 3224 1 8 . 1 1 37 37 ARG CB C 37 29.820 29.820 29.907 -0.087 18302 3225 1 8 . 1 1 37 37 ARG H H 37 8.559 8.559 8.589 -0.030 18302 3226 1 8 . 1 1 38 38 SER N N 38 119.164 119.164 115.641 3.523 18302 3227 1 8 . 1 1 38 38 SER HA H 38 4.445 4.445 4.227 0.218 18302 3228 1 8 . 1 1 38 38 SER C C 38 175.212 175.212 176.013 -0.801 18302 3229 1 8 . 1 1 38 38 SER CA C 38 61.698 61.698 61.222 0.476 18302 3230 1 8 . 1 1 38 38 SER CB C 38 62.733 62.733 62.907 -0.174 18302 3231 1 8 . 1 1 38 38 SER H H 38 8.075 8.075 8.363 -0.288 18302 3232 1 8 . 1 1 39 39 LEU N N 39 120.667 120.667 119.835 0.832 18302 3233 1 8 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.375 -0.145 18302 3234 1 8 . 1 1 39 39 LEU C C 39 177.740 177.740 177.536 0.204 18302 3235 1 8 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.188 -0.885 18302 3236 1 8 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.596 -0.822 18302 3237 1 8 . 1 1 39 39 LEU H H 39 7.419 7.419 7.442 -0.023 18302 3238 1 8 . 1 1 40 40 GLY N N 40 107.175 107.175 107.920 -0.745 18302 3239 1 8 . 1 1 40 40 GLY C C 40 174.723 174.723 174.594 0.129 18302 3240 1 8 . 1 1 40 40 GLY CA C 40 45.500 45.500 46.025 -0.525 18302 3241 1 8 . 1 1 40 40 GLY H H 40 7.900 7.900 8.231 -0.331 18302 3242 1 8 . 1 1 41 41 GLN N N 41 117.918 117.918 119.365 -1.447 18302 3243 1 8 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.272 -0.142 18302 3244 1 8 . 1 1 41 41 GLN C C 41 174.428 174.428 175.969 -1.541 18302 3245 1 8 . 1 1 41 41 GLN CA C 41 55.000 55.000 56.671 -1.671 18302 3246 1 8 . 1 1 41 41 GLN CB C 41 29.820 29.820 30.480 -0.660 18302 3247 1 8 . 1 1 41 41 GLN H H 41 7.746 7.746 8.001 -0.255 18302 3248 1 8 . 1 1 42 42 ASN N N 42 119.000 119.000 117.801 1.199 18302 3249 1 8 . 1 1 42 42 ASN HA H 42 4.600 4.600 5.106 -0.506 18302 3250 1 8 . 1 1 42 42 ASN H H 42 8.250 8.250 7.696 0.554 18302 3251 1 8 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.371 0.829 18302 3252 1 8 . 1 1 43 43 PRO C C 43 177.909 177.909 177.412 0.497 18302 3253 1 8 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.576 -1.292 18302 3254 1 8 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.296 -0.563 18302 3255 1 8 . 1 1 44 44 THR N N 44 113.390 113.390 114.760 -1.370 18302 3256 1 8 . 1 1 44 44 THR HA H 44 4.450 4.450 4.215 0.235 18302 3257 1 8 . 1 1 44 44 THR C C 44 175.483 175.483 175.457 0.026 18302 3258 1 8 . 1 1 44 44 THR CA C 44 60.526 60.526 61.494 -0.968 18302 3259 1 8 . 1 1 44 44 THR CB C 44 71.541 71.541 67.959 3.583 18302 3260 1 8 . 1 1 44 44 THR H H 44 8.982 8.982 7.942 1.040 18302 3261 1 8 . 1 1 45 45 GLU N N 45 120.632 120.632 127.046 -6.414 18302 3262 1 8 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.900 0.050 18302 3263 1 8 . 1 1 45 45 GLU C C 45 179.348 179.348 177.040 2.308 18302 3264 1 8 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.931 0.069 18302 3265 1 8 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.679 0.054 18302 3266 1 8 . 1 1 45 45 GLU H H 45 8.854 8.854 8.987 -0.133 18302 3267 1 8 . 1 1 46 46 THR N N 46 121.035 121.035 121.626 -0.591 18302 3268 1 8 . 1 1 46 46 THR HA H 46 4.121 4.121 4.397 -0.276 18302 3269 1 8 . 1 1 46 46 THR C C 46 175.463 175.463 176.616 -1.153 18302 3270 1 8 . 1 1 46 46 THR CA C 46 62.324 62.324 64.564 -2.240 18302 3271 1 8 . 1 1 46 46 THR CB C 46 70.088 70.088 68.158 1.930 18302 3272 1 8 . 1 1 46 46 THR H H 46 8.295 8.295 7.858 0.437 18302 3273 1 8 . 1 1 47 47 GLY N N 47 111.232 111.232 108.585 2.647 18302 3274 1 8 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.023 -0.086 18302 3275 1 8 . 1 1 47 47 GLY C C 47 174.998 174.998 177.025 -2.027 18302 3276 1 8 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.923 -2.002 18302 3277 1 8 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.306 0.514 18302 3278 1 8 . 1 1 47 47 GLY H H 47 8.720 8.720 7.495 1.225 18302 3279 1 8 . 1 1 48 48 ALA N N 48 124.417 124.417 121.048 3.369 18302 3280 1 8 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.991 0.291 18302 3281 1 8 . 1 1 48 48 ALA C C 48 177.866 177.866 179.839 -1.973 18302 3282 1 8 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.168 -1.343 18302 3283 1 8 . 1 1 48 48 ALA CB C 48 19.387 19.387 17.856 1.531 18302 3284 1 8 . 1 1 48 48 ALA H H 48 8.365 8.365 7.416 0.949 18302 3285 1 8 . 1 1 49 49 ALA N N 49 122.129 122.129 121.569 0.560 18302 3286 1 8 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.818 0.428 18302 3287 1 8 . 1 1 49 49 ALA C C 49 178.647 178.647 180.049 -1.402 18302 3288 1 8 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.680 -2.509 18302 3289 1 8 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.542 -2.393 18302 3290 1 8 . 1 1 49 49 ALA H H 49 8.318 8.318 7.838 0.480 18302 3291 1 8 . 1 1 50 50 LEU N N 50 120.817 120.817 120.502 0.315 18302 3292 1 8 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.149 -0.024 18302 3293 1 8 . 1 1 50 50 LEU C C 50 177.367 177.367 179.023 -1.656 18302 3294 1 8 . 1 1 50 50 LEU CA C 50 55.726 55.726 58.005 -2.279 18302 3295 1 8 . 1 1 50 50 LEU CB C 50 42.100 42.100 41.937 0.163 18302 3296 1 8 . 1 1 50 50 LEU H H 50 8.126 8.126 7.915 0.211 18302 3297 1 8 . 1 1 51 51 SER N N 51 116.273 116.273 115.186 1.087 18302 3298 1 8 . 1 1 51 51 SER HA H 51 4.057 4.057 4.181 -0.124 18302 3299 1 8 . 1 1 51 51 SER C C 51 175.939 175.939 177.342 -1.403 18302 3300 1 8 . 1 1 51 51 SER CA C 51 61.429 61.429 61.114 0.316 18302 3301 1 8 . 1 1 51 51 SER CB C 51 28.648 28.648 32.198 -3.550 18302 3302 1 8 . 1 1 51 51 SER H H 51 7.917 7.917 7.297 0.620 18302 3303 1 8 . 1 1 52 52 TRP N N 52 123.132 123.132 120.636 2.496 18302 3304 1 8 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.144 0.453 18302 3305 1 8 . 1 1 52 52 TRP C C 52 178.377 178.377 177.784 0.593 18302 3306 1 8 . 1 1 52 52 TRP CA C 52 61.665 61.665 60.631 1.034 18302 3307 1 8 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.153 0.235 18302 3308 1 8 . 1 1 52 52 TRP H H 52 8.732 8.732 8.712 0.020 18302 3309 1 8 . 1 1 53 53 GLN N N 53 117.115 117.115 117.309 -0.194 18302 3310 1 8 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.108 -0.139 18302 3311 1 8 . 1 1 53 53 GLN C C 53 177.779 177.779 178.137 -0.358 18302 3312 1 8 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.144 1.188 18302 3313 1 8 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.867 -0.717 18302 3314 1 8 . 1 1 53 53 GLN H H 53 8.480 8.480 7.847 0.633 18302 3315 1 8 . 1 1 54 54 ALA N N 54 120.557 120.557 123.126 -2.569 18302 3316 1 8 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.090 0.178 18302 3317 1 8 . 1 1 54 54 ALA C C 54 181.023 181.023 178.696 2.327 18302 3318 1 8 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.453 0.187 18302 3319 1 8 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.346 -0.737 18302 3320 1 8 . 1 1 54 54 ALA H H 54 8.003 8.003 7.937 0.066 18302 3321 1 8 . 1 1 55 55 ALA N N 55 122.442 122.442 115.630 6.812 18302 3322 1 8 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.461 -0.344 18302 3323 1 8 . 1 1 55 55 ALA C C 55 179.069 179.069 176.636 2.433 18302 3324 1 8 . 1 1 55 55 ALA CA C 55 55.478 55.478 50.739 4.739 18302 3325 1 8 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.131 0.104 18302 3326 1 8 . 1 1 55 55 ALA H H 55 8.283 8.283 7.563 0.720 18302 3327 1 8 . 1 1 56 56 ILE N N 56 119.035 119.035 121.646 -2.611 18302 3328 1 8 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.170 -0.359 18302 3329 1 8 . 1 1 56 56 ILE C C 56 177.968 177.968 175.891 2.077 18302 3330 1 8 . 1 1 56 56 ILE CA C 56 65.950 65.950 61.028 4.923 18302 3331 1 8 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.231 0.084 18302 3332 1 8 . 1 1 56 56 ILE H H 56 8.682 8.682 7.185 1.497 18302 3333 1 8 . 1 1 57 57 ASP N N 57 119.160 119.160 126.607 -7.447 18302 3334 1 8 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.513 -0.113 18302 3335 1 8 . 1 1 57 57 ASP C C 57 179.117 179.117 177.236 1.881 18302 3336 1 8 . 1 1 57 57 ASP CA C 57 53.690 53.690 55.784 -2.094 18302 3337 1 8 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.255 -0.615 18302 3338 1 8 . 1 1 57 57 ASP H H 57 8.393 8.393 8.726 -0.333 18302 3339 1 8 . 1 1 58 58 ALA N N 58 122.077 122.077 120.154 1.923 18302 3340 1 8 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.358 0.142 18302 3341 1 8 . 1 1 58 58 ALA C C 58 180.605 180.605 178.500 2.105 18302 3342 1 8 . 1 1 58 58 ALA CA C 58 54.968 54.968 52.223 2.745 18302 3343 1 8 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.455 -0.921 18302 3344 1 8 . 1 1 58 58 ALA H H 58 8.153 8.153 8.136 0.017 18302 3345 1 8 . 1 1 59 59 ALA N N 59 123.120 123.120 121.211 1.909 18302 3346 1 8 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.931 0.115 18302 3347 1 8 . 1 1 59 59 ALA C C 59 180.385 180.385 177.767 2.618 18302 3348 1 8 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.392 2.537 18302 3349 1 8 . 1 1 59 59 ALA H H 59 8.807 8.807 8.537 0.270 18302 3350 1 8 . 1 1 60 60 ARG N N 60 119.705 119.705 121.748 -2.043 18302 3351 1 8 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.334 -0.346 18302 3352 1 8 . 1 1 60 60 ARG C C 60 179.348 179.348 177.303 2.045 18302 3353 1 8 . 1 1 60 60 ARG CA C 60 59.608 59.608 55.716 3.892 18302 3354 1 8 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.944 -0.649 18302 3355 1 8 . 1 1 60 60 ARG H H 60 8.674 8.674 8.015 0.659 18302 3356 1 8 . 1 1 61 61 GLN N N 61 119.132 119.132 119.029 0.103 18302 3357 1 8 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.015 0.081 18302 3358 1 8 . 1 1 61 61 GLN C C 61 177.615 177.615 174.268 3.347 18302 3359 1 8 . 1 1 61 61 GLN CA C 61 58.230 58.230 56.561 1.669 18302 3360 1 8 . 1 1 61 61 GLN H H 61 8.053 8.053 9.379 -1.326 18302 3361 1 8 . 1 1 62 62 ALA N N 62 120.910 120.910 117.671 3.239 18302 3362 1 8 . 1 1 62 62 ALA HA H 62 4.177 4.177 4.846 -0.669 18302 3363 1 8 . 1 1 62 62 ALA C C 62 179.311 179.311 176.487 2.824 18302 3364 1 8 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.385 4.562 18302 3365 1 8 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.772 -4.236 18302 3366 1 8 . 1 1 62 62 ALA H H 62 7.920 7.920 7.011 0.909 18302 3367 1 8 . 1 1 63 63 LYS N N 63 117.863 117.863 122.620 -4.757 18302 3368 1 8 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.539 -0.383 18302 3369 1 8 . 1 1 63 63 LYS C C 63 178.324 178.324 176.088 2.236 18302 3370 1 8 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.664 4.223 18302 3371 1 8 . 1 1 63 63 LYS CB C 63 31.780 31.780 31.666 0.114 18302 3372 1 8 . 1 1 63 63 LYS H H 63 7.680 7.680 8.438 -0.758 18302 3373 1 8 . 1 1 64 64 LEU N N 64 119.697 119.697 129.296 -9.599 18302 3374 1 8 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.461 -0.268 18302 3375 1 8 . 1 1 64 64 LEU C C 64 178.459 178.459 178.409 0.050 18302 3376 1 8 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.921 1.522 18302 3377 1 8 . 1 1 64 64 LEU CB C 64 42.161 42.161 42.970 -0.809 18302 3378 1 8 . 1 1 64 64 LEU H H 64 7.895 7.895 8.387 -0.492 18302 3379 1 8 . 1 1 65 65 MET N N 65 117.184 117.184 119.300 -2.116 18302 3380 1 8 . 1 1 65 65 MET HA H 65 4.472 4.472 4.311 0.161 18302 3381 1 8 . 1 1 65 65 MET C C 65 177.053 177.053 175.840 1.213 18302 3382 1 8 . 1 1 65 65 MET CA C 65 55.889 55.889 61.179 -5.290 18302 3383 1 8 . 1 1 65 65 MET CB C 65 33.010 33.010 30.308 2.702 18302 3384 1 8 . 1 1 65 65 MET H H 65 7.958 7.958 8.958 -1.000 18302 3385 1 8 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.173 -0.323 18302 3386 1 8 . 1 1 66 66 GLY C C 66 174.137 174.137 176.190 -2.053 18302 3387 1 8 . 1 1 66 66 GLY CA C 66 45.590 45.590 48.010 -2.420 18302 3388 1 8 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.907 -0.074 18302 3389 1 8 . 1 1 67 67 SER N N 67 115.622 115.622 113.354 2.268 18302 3390 1 8 . 1 1 67 67 SER HA H 67 4.472 4.472 4.128 0.344 18302 3391 1 8 . 1 1 67 67 SER C C 67 173.300 173.300 176.920 -3.620 18302 3392 1 8 . 1 1 67 67 SER CA C 67 58.182 58.182 61.549 -3.367 18302 3393 1 8 . 1 1 67 67 SER CB C 67 64.389 64.389 62.238 2.151 18302 3394 1 8 . 1 1 67 67 SER H H 67 8.127 8.127 8.902 -0.775 18302 3395 1 8 . 1 1 68 68 ALA N N 68 131.351 131.351 122.671 8.680 18302 3396 1 8 . 1 1 68 68 ALA HA H 68 4.200 4.200 4.075 0.125 18302 3397 1 8 . 1 1 68 68 ALA C C 68 176.792 176.792 177.311 -0.519 18302 3398 1 8 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.193 -1.077 18302 3399 1 8 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.172 1.076 18302 3400 1 8 . 1 1 68 68 ALA H H 68 7.984 7.984 7.445 0.539 18302 3401 1 8 . 1 1 69 69 LEU N N 69 119.986 119.986 119.680 0.306 18302 3402 1 8 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.853 -0.503 18302 3403 1 8 . 1 1 69 69 LEU C C 69 178.468 178.468 178.623 -0.155 18302 3404 1 8 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.459 0.460 18302 3405 1 8 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.347 -0.347 18302 3406 1 8 . 1 1 69 69 LEU H H 69 9.062 9.062 7.520 1.542 18302 3407 1 8 . 1 1 70 70 THR N N 70 114.834 114.834 115.202 -0.368 18302 3408 1 8 . 1 1 70 70 THR HA H 70 4.100 4.100 3.786 0.314 18302 3409 1 8 . 1 1 70 70 THR C C 70 176.391 176.391 176.675 -0.284 18302 3410 1 8 . 1 1 70 70 THR CA C 70 61.833 61.833 66.499 -4.666 18302 3411 1 8 . 1 1 70 70 THR CB C 70 68.267 68.267 68.896 -0.629 18302 3412 1 8 . 1 1 70 70 THR H H 70 7.710 7.710 8.520 -0.810 18302 3413 1 8 . 1 1 71 71 MET N N 71 120.233 120.233 119.228 1.005 18302 3414 1 8 . 1 1 71 71 MET HA H 71 3.850 3.850 3.898 -0.048 18302 3415 1 8 . 1 1 71 71 MET C C 71 178.145 178.145 178.079 0.066 18302 3416 1 8 . 1 1 71 71 MET CA C 71 58.768 58.768 58.483 0.285 18302 3417 1 8 . 1 1 71 71 MET CB C 71 31.233 31.233 31.931 -0.698 18302 3418 1 8 . 1 1 71 71 MET H H 71 7.034 7.034 7.515 -0.481 18302 3419 1 8 . 1 1 72 72 MET N N 72 118.621 118.621 115.289 3.332 18302 3420 1 8 . 1 1 72 72 MET HA H 72 3.800 3.800 4.174 -0.374 18302 3421 1 8 . 1 1 72 72 MET C C 72 178.930 178.930 176.685 2.245 18302 3422 1 8 . 1 1 72 72 MET CA C 72 56.500 56.500 57.691 -1.191 18302 3423 1 8 . 1 1 72 72 MET CB C 72 32.733 32.733 32.264 0.469 18302 3424 1 8 . 1 1 72 72 MET H H 72 7.839 7.839 7.497 0.342 18302 3425 1 8 . 1 1 73 73 ALA N N 73 120.567 120.567 121.932 -1.365 18302 3426 1 8 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.548 -0.413 18302 3427 1 8 . 1 1 73 73 ALA C C 73 179.332 179.332 176.777 2.555 18302 3428 1 8 . 1 1 73 73 ALA CA C 73 54.080 54.080 51.381 2.699 18302 3429 1 8 . 1 1 73 73 ALA CB C 73 18.453 18.453 19.403 -0.950 18302 3430 1 8 . 1 1 73 73 ALA H H 73 8.240 8.240 7.822 0.418 18302 3431 1 8 . 1 1 74 74 ARG N N 74 116.784 116.784 119.447 -2.663 18302 3432 1 8 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.366 -0.229 18302 3433 1 8 . 1 1 74 74 ARG C C 74 177.511 177.511 176.475 1.036 18302 3434 1 8 . 1 1 74 74 ARG CA C 74 57.596 57.596 55.615 1.981 18302 3435 1 8 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.529 -0.123 18302 3436 1 8 . 1 1 74 74 ARG H H 74 7.382 7.382 8.128 -0.746 18302 3437 1 8 . 1 1 75 75 LYS N N 75 118.548 118.548 118.725 -0.177 18302 3438 1 8 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.026 0.280 18302 3439 1 8 . 1 1 75 75 LYS C C 75 176.937 176.937 178.230 -1.293 18302 3440 1 8 . 1 1 75 75 LYS CA C 75 55.000 55.000 58.546 -3.546 18302 3441 1 8 . 1 1 75 75 LYS CB C 75 32.750 32.750 31.922 0.829 18302 3442 1 8 . 1 1 75 75 LYS H H 75 7.732 7.732 8.208 -0.476 18302 3443 1 8 . 1 1 76 76 MET N N 76 120.367 120.367 117.724 2.643 18302 3444 1 8 . 1 1 76 76 MET HA H 76 4.443 4.443 4.296 0.147 18302 3445 1 8 . 1 1 76 76 MET C C 76 175.539 175.539 176.737 -1.198 18302 3446 1 8 . 1 1 76 76 MET CA C 76 55.500 55.500 57.623 -2.123 18302 3447 1 8 . 1 1 76 76 MET CB C 76 32.733 32.733 33.065 -0.332 18302 3448 1 8 . 1 1 76 76 MET H H 76 7.863 7.863 8.094 -0.231 18302 3449 1 9 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.686 -0.070 18302 3450 1 9 . 1 1 2 2 ASP C C 2 175.975 175.975 176.392 -0.417 18302 3451 1 9 . 1 1 2 2 ASP CA C 2 54.666 54.666 53.729 0.937 18302 3452 1 9 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.020 0.168 18302 3453 1 9 . 1 1 3 3 GLN N N 3 119.995 119.995 122.366 -2.371 18302 3454 1 9 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.351 0.032 18302 3455 1 9 . 1 1 3 3 GLN C C 3 175.927 175.927 176.639 -0.712 18302 3456 1 9 . 1 1 3 3 GLN CA C 3 52.653 52.653 56.133 -3.479 18302 3457 1 9 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.411 -0.177 18302 3458 1 9 . 1 1 3 3 GLN H H 3 8.414 8.414 8.393 0.021 18302 3459 1 9 . 1 1 4 4 LEU N N 4 123.586 123.586 118.674 4.912 18302 3460 1 9 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.009 0.661 18302 3461 1 9 . 1 1 4 4 LEU C C 4 177.983 177.983 175.972 2.011 18302 3462 1 9 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.845 -1.179 18302 3463 1 9 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.333 1.199 18302 3464 1 9 . 1 1 4 4 LEU H H 4 8.352 8.352 8.398 -0.046 18302 3465 1 9 . 1 1 5 5 THR N N 5 113.292 113.292 111.638 1.654 18302 3466 1 9 . 1 1 5 5 THR HA H 5 4.470 4.470 4.462 0.008 18302 3467 1 9 . 1 1 5 5 THR C C 5 175.729 175.729 173.939 1.790 18302 3468 1 9 . 1 1 5 5 THR CA C 5 60.526 60.526 61.200 -0.674 18302 3469 1 9 . 1 1 5 5 THR CB C 5 71.541 71.541 69.467 2.074 18302 3470 1 9 . 1 1 5 5 THR H H 5 8.735 8.735 7.913 0.822 18302 3471 1 9 . 1 1 6 6 GLU N N 6 120.507 120.507 121.953 -1.446 18302 3472 1 9 . 1 1 6 6 GLU HA H 6 3.991 3.991 4.042 -0.051 18302 3473 1 9 . 1 1 6 6 GLU C C 6 179.816 179.816 177.759 2.057 18302 3474 1 9 . 1 1 6 6 GLU CA C 6 59.940 59.940 59.783 0.157 18302 3475 1 9 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.691 -0.457 18302 3476 1 9 . 1 1 6 6 GLU H H 6 9.060 9.060 8.812 0.248 18302 3477 1 9 . 1 1 7 7 GLU N N 7 120.000 120.000 119.177 0.823 18302 3478 1 9 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.841 0.244 18302 3479 1 9 . 1 1 7 7 GLU C C 7 179.588 179.588 178.630 0.958 18302 3480 1 9 . 1 1 7 7 GLU CA C 7 59.940 59.940 60.065 -0.125 18302 3481 1 9 . 1 1 7 7 GLU CB C 7 28.833 28.833 29.374 -0.541 18302 3482 1 9 . 1 1 7 7 GLU H H 7 8.770 8.770 8.421 0.349 18302 3483 1 9 . 1 1 8 8 GLN N N 8 120.798 120.798 118.240 2.558 18302 3484 1 9 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.088 -0.258 18302 3485 1 9 . 1 1 8 8 GLN C C 8 178.179 178.179 178.629 -0.450 18302 3486 1 9 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.127 -0.807 18302 3487 1 9 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.219 1.014 18302 3488 1 9 . 1 1 8 8 GLN H H 8 7.755 7.755 8.482 -0.727 18302 3489 1 9 . 1 1 9 9 ILE N N 9 119.028 119.028 116.743 2.285 18302 3490 1 9 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.895 -0.295 18302 3491 1 9 . 1 1 9 9 ILE C C 9 178.147 178.147 178.110 0.037 18302 3492 1 9 . 1 1 9 9 ILE CA C 9 66.620 66.620 65.099 1.521 18302 3493 1 9 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.327 0.325 18302 3494 1 9 . 1 1 9 9 ILE H H 9 8.253 8.253 7.461 0.792 18302 3495 1 9 . 1 1 10 10 ALA N N 10 120.587 120.587 122.594 -2.007 18302 3496 1 9 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.825 0.315 18302 3497 1 9 . 1 1 10 10 ALA C C 10 181.279 181.279 179.122 2.157 18302 3498 1 9 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.292 -0.040 18302 3499 1 9 . 1 1 10 10 ALA CB C 10 17.500 17.500 18.178 -0.678 18302 3500 1 9 . 1 1 10 10 ALA H H 10 8.051 8.051 7.969 0.082 18302 3501 1 9 . 1 1 11 11 GLU N N 11 120.436 120.436 120.517 -0.081 18302 3502 1 9 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.018 0.177 18302 3503 1 9 . 1 1 11 11 GLU C C 11 180.542 180.542 178.695 1.847 18302 3504 1 9 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.350 0.004 18302 3505 1 9 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.852 -0.618 18302 3506 1 9 . 1 1 11 11 GLU H H 11 7.795 7.795 8.611 -0.816 18302 3507 1 9 . 1 1 12 12 PHE N N 12 120.654 120.654 119.883 0.771 18302 3508 1 9 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.353 0.697 18302 3509 1 9 . 1 1 12 12 PHE C C 12 179.155 179.155 177.345 1.810 18302 3510 1 9 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.499 -1.739 18302 3511 1 9 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.735 -1.735 18302 3512 1 9 . 1 1 12 12 PHE H H 12 8.541 8.541 8.486 0.055 18302 3513 1 9 . 1 1 13 13 LYS N N 13 123.600 123.600 119.910 3.690 18302 3514 1 9 . 1 1 13 13 LYS HA H 13 3.993 3.993 2.926 1.067 18302 3515 1 9 . 1 1 13 13 LYS C C 13 179.523 179.523 178.399 1.124 18302 3516 1 9 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.048 0.892 18302 3517 1 9 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.575 0.158 18302 3518 1 9 . 1 1 13 13 LYS H H 13 9.279 9.279 7.426 1.853 18302 3519 1 9 . 1 1 14 14 GLU N N 14 121.150 121.150 119.092 2.058 18302 3520 1 9 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.809 0.312 18302 3521 1 9 . 1 1 14 14 GLU C C 14 179.859 179.859 178.801 1.058 18302 3522 1 9 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.310 0.044 18302 3523 1 9 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.446 0.287 18302 3524 1 9 . 1 1 14 14 GLU H H 14 8.036 8.036 7.911 0.125 18302 3525 1 9 . 1 1 15 15 ALA N N 15 122.010 122.010 121.674 0.336 18302 3526 1 9 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.835 0.514 18302 3527 1 9 . 1 1 15 15 ALA C C 15 178.785 178.785 179.282 -0.497 18302 3528 1 9 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.838 0.414 18302 3529 1 9 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.420 -0.420 18302 3530 1 9 . 1 1 15 15 ALA H H 15 8.034 8.034 7.731 0.303 18302 3531 1 9 . 1 1 16 16 PHE N N 16 119.032 119.032 118.678 0.354 18302 3532 1 9 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.846 -0.546 18302 3533 1 9 . 1 1 16 16 PHE C C 16 178.534 178.534 177.015 1.519 18302 3534 1 9 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.742 2.258 18302 3535 1 9 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.420 1.580 18302 3536 1 9 . 1 1 16 16 PHE H H 16 8.633 8.633 8.398 0.235 18302 3537 1 9 . 1 1 17 17 SER N N 17 113.786 113.786 114.284 -0.498 18302 3538 1 9 . 1 1 17 17 SER HA H 17 4.100 4.100 3.137 0.963 18302 3539 1 9 . 1 1 17 17 SER C C 17 174.639 174.639 175.811 -1.172 18302 3540 1 9 . 1 1 17 17 SER CA C 17 61.500 61.500 60.673 0.827 18302 3541 1 9 . 1 1 17 17 SER CB C 17 63.500 63.500 62.836 0.664 18302 3542 1 9 . 1 1 17 17 SER H H 17 8.215 8.215 7.726 0.489 18302 3543 1 9 . 1 1 18 18 LEU N N 18 120.113 120.113 119.747 0.366 18302 3544 1 9 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.768 0.112 18302 3545 1 9 . 1 1 18 18 LEU C C 18 177.151 177.151 178.475 -1.324 18302 3546 1 9 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.190 -0.690 18302 3547 1 9 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.688 -0.188 18302 3548 1 9 . 1 1 18 18 LEU H H 18 7.417 7.417 7.105 0.312 18302 3549 1 9 . 1 1 19 19 PHE N N 19 112.070 112.070 116.719 -4.649 18302 3550 1 9 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.163 0.237 18302 3551 1 9 . 1 1 19 19 PHE C C 19 175.699 175.699 176.848 -1.149 18302 3552 1 9 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.193 -0.793 18302 3553 1 9 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.907 2.993 18302 3554 1 9 . 1 1 19 19 PHE H H 19 7.043 7.043 7.252 -0.209 18302 3555 1 9 . 1 1 20 20 ASP N N 20 116.223 116.223 119.841 -3.618 18302 3556 1 9 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.676 -0.076 18302 3557 1 9 . 1 1 20 20 ASP C C 20 177.625 177.625 177.393 0.232 18302 3558 1 9 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.674 -2.352 18302 3559 1 9 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.726 -0.296 18302 3560 1 9 . 1 1 20 20 ASP H H 20 7.484 7.484 7.880 -0.396 18302 3561 1 9 . 1 1 21 21 LYS N N 21 124.544 124.544 123.123 1.421 18302 3562 1 9 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.955 0.045 18302 3563 1 9 . 1 1 21 21 LYS C C 21 178.513 178.513 177.675 0.838 18302 3564 1 9 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.274 -0.574 18302 3565 1 9 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.064 2.136 18302 3566 1 9 . 1 1 21 21 LYS H H 21 7.601 7.601 8.640 -1.039 18302 3567 1 9 . 1 1 22 22 ASP N N 22 114.320 114.320 115.475 -1.155 18302 3568 1 9 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.466 0.168 18302 3569 1 9 . 1 1 22 22 ASP C C 22 178.039 178.039 177.708 0.331 18302 3570 1 9 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.310 -1.402 18302 3571 1 9 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.923 0.093 18302 3572 1 9 . 1 1 22 22 ASP H H 22 8.241 8.241 8.351 -0.110 18302 3573 1 9 . 1 1 23 23 GLY N N 23 109.478 109.478 109.306 0.172 18302 3574 1 9 . 1 1 23 23 GLY C C 23 175.427 175.427 174.875 0.552 18302 3575 1 9 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.969 1.079 18302 3576 1 9 . 1 1 23 23 GLY H H 23 7.680 7.680 8.276 -0.596 18302 3577 1 9 . 1 1 24 24 ASP N N 24 121.007 121.007 120.055 0.952 18302 3578 1 9 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.608 -0.108 18302 3579 1 9 . 1 1 24 24 ASP C C 24 177.660 177.660 177.737 -0.077 18302 3580 1 9 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.304 0.776 18302 3581 1 9 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.265 -0.663 18302 3582 1 9 . 1 1 24 24 ASP H H 24 8.523 8.523 8.423 0.100 18302 3583 1 9 . 1 1 25 25 GLY N N 25 112.961 112.961 109.353 3.608 18302 3584 1 9 . 1 1 25 25 GLY C C 25 174.198 174.198 173.874 0.324 18302 3585 1 9 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.487 -0.197 18302 3586 1 9 . 1 1 25 25 GLY H H 25 10.539 10.539 9.245 1.294 18302 3587 1 9 . 1 1 26 26 THR N N 26 112.593 112.593 110.253 2.340 18302 3588 1 9 . 1 1 26 26 THR HA H 26 5.560 5.560 5.318 0.242 18302 3589 1 9 . 1 1 26 26 THR C C 26 173.991 173.991 172.886 1.105 18302 3590 1 9 . 1 1 26 26 THR CA C 26 59.500 59.500 59.675 -0.175 18302 3591 1 9 . 1 1 26 26 THR CB C 26 73.299 73.299 72.752 0.547 18302 3592 1 9 . 1 1 26 26 THR H H 26 8.304 8.304 8.761 -0.457 18302 3593 1 9 . 1 1 27 27 ILE N N 27 126.868 126.868 121.093 5.775 18302 3594 1 9 . 1 1 27 27 ILE HA H 27 4.750 4.750 5.093 -0.343 18302 3595 1 9 . 1 1 27 27 ILE C C 27 176.338 176.338 175.785 0.553 18302 3596 1 9 . 1 1 27 27 ILE CA C 27 61.112 61.112 59.660 1.452 18302 3597 1 9 . 1 1 27 27 ILE CB C 27 40.000 40.000 41.513 -1.513 18302 3598 1 9 . 1 1 27 27 ILE H H 27 9.988 9.988 8.246 1.742 18302 3599 1 9 . 1 1 28 28 THR N N 28 116.237 116.237 120.131 -3.894 18302 3600 1 9 . 1 1 28 28 THR HA H 28 4.850 4.850 5.035 -0.185 18302 3601 1 9 . 1 1 28 28 THR C C 28 176.422 176.422 176.265 0.157 18302 3602 1 9 . 1 1 28 28 THR CA C 28 59.000 59.000 60.684 -1.684 18302 3603 1 9 . 1 1 28 28 THR CB C 28 72.713 72.713 71.987 0.726 18302 3604 1 9 . 1 1 28 28 THR H H 28 8.233 8.233 8.337 -0.104 18302 3605 1 9 . 1 1 29 29 THR N N 29 114.660 114.660 116.730 -2.070 18302 3606 1 9 . 1 1 29 29 THR HA H 29 3.800 3.800 3.921 -0.121 18302 3607 1 9 . 1 1 29 29 THR C C 29 177.772 177.772 176.486 1.286 18302 3608 1 9 . 1 1 29 29 THR CA C 29 66.767 66.767 66.699 0.068 18302 3609 1 9 . 1 1 29 29 THR CB C 29 68.611 68.611 68.561 0.050 18302 3610 1 9 . 1 1 29 29 THR H H 29 9.316 9.316 8.973 0.343 18302 3611 1 9 . 1 1 30 30 LYS N N 30 121.300 121.300 121.571 -0.271 18302 3612 1 9 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.113 0.015 18302 3613 1 9 . 1 1 30 30 LYS C C 30 180.194 180.194 178.899 1.295 18302 3614 1 9 . 1 1 30 30 LYS CA C 30 59.354 59.354 59.900 -0.546 18302 3615 1 9 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.864 0.300 18302 3616 1 9 . 1 1 30 30 LYS H H 30 7.900 7.900 8.377 -0.477 18302 3617 1 9 . 1 1 31 31 GLU N N 31 122.184 122.184 119.884 2.300 18302 3618 1 9 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.056 -0.056 18302 3619 1 9 . 1 1 31 31 GLU C C 31 178.964 178.964 179.053 -0.089 18302 3620 1 9 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.773 0.167 18302 3621 1 9 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.446 0.374 18302 3622 1 9 . 1 1 31 31 GLU H H 31 7.900 7.900 8.204 -0.304 18302 3623 1 9 . 1 1 32 32 LEU N N 32 120.000 120.000 120.430 -0.430 18302 3624 1 9 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.160 -0.010 18302 3625 1 9 . 1 1 32 32 LEU C C 32 179.190 179.190 178.748 0.442 18302 3626 1 9 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.026 0.156 18302 3627 1 9 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.616 0.744 18302 3628 1 9 . 1 1 32 32 LEU H H 32 8.600 8.600 8.260 0.340 18302 3629 1 9 . 1 1 33 33 GLY N N 33 105.412 105.412 105.772 -0.360 18302 3630 1 9 . 1 1 33 33 GLY C C 33 175.371 175.371 175.829 -0.458 18302 3631 1 9 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.853 0.952 18302 3632 1 9 . 1 1 33 33 GLY H H 33 8.730 8.730 8.495 0.235 18302 3633 1 9 . 1 1 34 34 THR N N 34 118.762 118.762 119.555 -0.793 18302 3634 1 9 . 1 1 34 34 THR HA H 34 3.950 3.950 3.985 -0.035 18302 3635 1 9 . 1 1 34 34 THR C C 34 177.681 177.681 176.524 1.157 18302 3636 1 9 . 1 1 34 34 THR CA C 34 66.767 66.767 67.963 -1.196 18302 3637 1 9 . 1 1 34 34 THR CB C 34 69.197 69.197 68.539 0.658 18302 3638 1 9 . 1 1 34 34 THR H H 34 8.104 8.104 7.863 0.241 18302 3639 1 9 . 1 1 35 35 VAL N N 35 122.943 122.943 121.794 1.149 18302 3640 1 9 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.602 0.068 18302 3641 1 9 . 1 1 35 35 VAL C C 35 179.691 179.691 178.069 1.622 18302 3642 1 9 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.560 0.007 18302 3643 1 9 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.673 0.160 18302 3644 1 9 . 1 1 35 35 VAL H H 35 8.230 8.230 7.540 0.690 18302 3645 1 9 . 1 1 36 36 MET N N 36 118.074 118.074 117.838 0.236 18302 3646 1 9 . 1 1 36 36 MET HA H 36 4.124 4.124 4.129 -0.005 18302 3647 1 9 . 1 1 36 36 MET C C 36 179.518 179.518 178.147 1.371 18302 3648 1 9 . 1 1 36 36 MET CA C 36 58.400 58.400 59.507 -1.107 18302 3649 1 9 . 1 1 36 36 MET CB C 36 31.233 31.233 32.547 -1.314 18302 3650 1 9 . 1 1 36 36 MET H H 36 8.746 8.746 8.447 0.299 18302 3651 1 9 . 1 1 37 37 ARG N N 37 118.931 118.931 120.948 -2.017 18302 3652 1 9 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.121 0.729 18302 3653 1 9 . 1 1 37 37 ARG C C 37 181.608 181.608 179.493 2.115 18302 3654 1 9 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.557 -0.203 18302 3655 1 9 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.372 -0.552 18302 3656 1 9 . 1 1 37 37 ARG H H 37 8.559 8.559 8.782 -0.223 18302 3657 1 9 . 1 1 38 38 SER N N 38 119.164 119.164 116.627 2.537 18302 3658 1 9 . 1 1 38 38 SER HA H 38 4.445 4.445 4.239 0.206 18302 3659 1 9 . 1 1 38 38 SER C C 38 175.212 175.212 175.962 -0.750 18302 3660 1 9 . 1 1 38 38 SER CA C 38 61.698 61.698 61.537 0.161 18302 3661 1 9 . 1 1 38 38 SER CB C 38 62.733 62.733 62.593 0.140 18302 3662 1 9 . 1 1 38 38 SER H H 38 8.075 8.075 8.532 -0.457 18302 3663 1 9 . 1 1 39 39 LEU N N 39 120.667 120.667 118.781 1.886 18302 3664 1 9 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.427 -0.197 18302 3665 1 9 . 1 1 39 39 LEU C C 39 177.740 177.740 177.450 0.290 18302 3666 1 9 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.209 -0.906 18302 3667 1 9 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.715 -0.941 18302 3668 1 9 . 1 1 39 39 LEU H H 39 7.419 7.419 7.422 -0.003 18302 3669 1 9 . 1 1 40 40 GLY N N 40 107.175 107.175 106.878 0.297 18302 3670 1 9 . 1 1 40 40 GLY C C 40 174.723 174.723 173.792 0.931 18302 3671 1 9 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.756 0.744 18302 3672 1 9 . 1 1 40 40 GLY H H 40 7.900 7.900 8.009 -0.109 18302 3673 1 9 . 1 1 41 41 GLN N N 41 117.918 117.918 119.860 -1.942 18302 3674 1 9 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.439 -0.309 18302 3675 1 9 . 1 1 41 41 GLN C C 41 174.428 174.428 175.085 -0.657 18302 3676 1 9 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.462 0.538 18302 3677 1 9 . 1 1 41 41 GLN CB C 41 29.820 29.820 31.036 -1.216 18302 3678 1 9 . 1 1 41 41 GLN H H 41 7.746 7.746 8.076 -0.330 18302 3679 1 9 . 1 1 42 42 ASN N N 42 119.000 119.000 120.756 -1.756 18302 3680 1 9 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.554 0.046 18302 3681 1 9 . 1 1 42 42 ASN H H 42 8.250 8.250 8.681 -0.431 18302 3682 1 9 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.513 0.687 18302 3683 1 9 . 1 1 43 43 PRO C C 43 177.909 177.909 177.002 0.907 18302 3684 1 9 . 1 1 43 43 PRO CA C 43 62.284 62.284 62.908 -0.624 18302 3685 1 9 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.668 0.066 18302 3686 1 9 . 1 1 44 44 THR N N 44 113.390 113.390 113.456 -0.066 18302 3687 1 9 . 1 1 44 44 THR HA H 44 4.450 4.450 4.162 0.288 18302 3688 1 9 . 1 1 44 44 THR C C 44 175.483 175.483 175.520 -0.037 18302 3689 1 9 . 1 1 44 44 THR CA C 44 60.526 60.526 61.819 -1.293 18302 3690 1 9 . 1 1 44 44 THR CB C 44 71.541 71.541 67.749 3.792 18302 3691 1 9 . 1 1 44 44 THR H H 44 8.982 8.982 7.783 1.199 18302 3692 1 9 . 1 1 45 45 GLU N N 45 120.632 120.632 126.765 -6.133 18302 3693 1 9 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.834 0.116 18302 3694 1 9 . 1 1 45 45 GLU C C 45 179.348 179.348 177.807 1.541 18302 3695 1 9 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.273 -0.273 18302 3696 1 9 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.560 0.173 18302 3697 1 9 . 1 1 45 45 GLU H H 45 8.854 8.854 8.509 0.345 18302 3698 1 9 . 1 1 46 46 THR N N 46 121.035 121.035 120.966 0.069 18302 3699 1 9 . 1 1 46 46 THR HA H 46 4.121 4.121 4.645 -0.524 18302 3700 1 9 . 1 1 46 46 THR C C 46 175.463 175.463 176.661 -1.198 18302 3701 1 9 . 1 1 46 46 THR CA C 46 62.324 62.324 64.114 -1.790 18302 3702 1 9 . 1 1 46 46 THR CB C 46 70.088 70.088 68.543 1.545 18302 3703 1 9 . 1 1 46 46 THR H H 46 8.295 8.295 8.196 0.099 18302 3704 1 9 . 1 1 47 47 GLY N N 47 111.232 111.232 109.271 1.961 18302 3705 1 9 . 1 1 47 47 GLY HA H 47 3.937 3.937 3.997 -0.060 18302 3706 1 9 . 1 1 47 47 GLY C C 47 174.998 174.998 177.064 -2.066 18302 3707 1 9 . 1 1 47 47 GLY CA C 47 45.921 45.921 48.093 -2.172 18302 3708 1 9 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.563 0.257 18302 3709 1 9 . 1 1 47 47 GLY H H 47 8.720 8.720 7.725 0.995 18302 3710 1 9 . 1 1 48 48 ALA N N 48 124.417 124.417 121.226 3.191 18302 3711 1 9 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.916 0.366 18302 3712 1 9 . 1 1 48 48 ALA C C 48 177.866 177.866 179.854 -1.988 18302 3713 1 9 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.900 -2.075 18302 3714 1 9 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.528 0.859 18302 3715 1 9 . 1 1 48 48 ALA H H 48 8.365 8.365 7.722 0.643 18302 3716 1 9 . 1 1 49 49 ALA N N 49 122.129 122.129 120.976 1.153 18302 3717 1 9 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.864 0.382 18302 3718 1 9 . 1 1 49 49 ALA C C 49 178.647 178.647 180.097 -1.450 18302 3719 1 9 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.498 -2.327 18302 3720 1 9 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.601 -2.452 18302 3721 1 9 . 1 1 49 49 ALA H H 49 8.318 8.318 7.708 0.610 18302 3722 1 9 . 1 1 50 50 LEU N N 50 120.817 120.817 120.663 0.154 18302 3723 1 9 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.200 -0.075 18302 3724 1 9 . 1 1 50 50 LEU C C 50 177.367 177.367 178.709 -1.342 18302 3725 1 9 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.376 -1.650 18302 3726 1 9 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.170 -0.070 18302 3727 1 9 . 1 1 50 50 LEU H H 50 8.126 8.126 7.762 0.364 18302 3728 1 9 . 1 1 51 51 SER N N 51 116.273 116.273 115.801 0.472 18302 3729 1 9 . 1 1 51 51 SER HA H 51 4.057 4.057 4.140 -0.083 18302 3730 1 9 . 1 1 51 51 SER C C 51 175.939 175.939 177.305 -1.366 18302 3731 1 9 . 1 1 51 51 SER CA C 51 61.429 61.429 61.211 0.218 18302 3732 1 9 . 1 1 51 51 SER CB C 51 28.648 28.648 32.284 -3.636 18302 3733 1 9 . 1 1 51 51 SER H H 51 7.917 7.917 8.245 -0.328 18302 3734 1 9 . 1 1 52 52 TRP N N 52 123.132 123.132 118.512 4.620 18302 3735 1 9 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.195 0.402 18302 3736 1 9 . 1 1 52 52 TRP C C 52 178.377 178.377 177.813 0.564 18302 3737 1 9 . 1 1 52 52 TRP CA C 52 61.665 61.665 60.760 0.905 18302 3738 1 9 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.249 0.139 18302 3739 1 9 . 1 1 52 52 TRP H H 52 8.732 8.732 8.640 0.092 18302 3740 1 9 . 1 1 53 53 GLN N N 53 117.115 117.115 118.036 -0.921 18302 3741 1 9 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.040 -0.071 18302 3742 1 9 . 1 1 53 53 GLN C C 53 177.779 177.779 177.897 -0.118 18302 3743 1 9 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.616 0.716 18302 3744 1 9 . 1 1 53 53 GLN CB C 53 28.150 28.150 29.070 -0.920 18302 3745 1 9 . 1 1 53 53 GLN H H 53 8.480 8.480 7.549 0.931 18302 3746 1 9 . 1 1 54 54 ALA N N 54 120.557 120.557 121.574 -1.017 18302 3747 1 9 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.151 0.117 18302 3748 1 9 . 1 1 54 54 ALA C C 54 181.023 181.023 178.706 2.317 18302 3749 1 9 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.008 0.632 18302 3750 1 9 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.375 -0.766 18302 3751 1 9 . 1 1 54 54 ALA H H 54 8.003 8.003 7.625 0.378 18302 3752 1 9 . 1 1 55 55 ALA N N 55 122.442 122.442 116.552 5.890 18302 3753 1 9 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.526 -0.409 18302 3754 1 9 . 1 1 55 55 ALA C C 55 179.069 179.069 176.560 2.509 18302 3755 1 9 . 1 1 55 55 ALA CA C 55 55.478 55.478 49.720 5.758 18302 3756 1 9 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.124 0.111 18302 3757 1 9 . 1 1 55 55 ALA H H 55 8.283 8.283 7.386 0.897 18302 3758 1 9 . 1 1 56 56 ILE N N 56 119.035 119.035 120.875 -1.840 18302 3759 1 9 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.153 -0.342 18302 3760 1 9 . 1 1 56 56 ILE C C 56 177.968 177.968 175.517 2.451 18302 3761 1 9 . 1 1 56 56 ILE CA C 56 65.950 65.950 61.002 4.948 18302 3762 1 9 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.863 -0.548 18302 3763 1 9 . 1 1 56 56 ILE H H 56 8.682 8.682 7.385 1.297 18302 3764 1 9 . 1 1 57 57 ASP N N 57 119.160 119.160 118.893 0.267 18302 3765 1 9 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.647 -0.247 18302 3766 1 9 . 1 1 57 57 ASP C C 57 179.117 179.117 175.759 3.358 18302 3767 1 9 . 1 1 57 57 ASP CA C 57 53.690 53.690 54.519 -0.829 18302 3768 1 9 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.245 -0.605 18302 3769 1 9 . 1 1 57 57 ASP H H 57 8.393 8.393 8.510 -0.117 18302 3770 1 9 . 1 1 58 58 ALA N N 58 122.077 122.077 122.638 -0.561 18302 3771 1 9 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.303 0.197 18302 3772 1 9 . 1 1 58 58 ALA C C 58 180.605 180.605 178.773 1.832 18302 3773 1 9 . 1 1 58 58 ALA CA C 58 54.968 54.968 52.339 2.629 18302 3774 1 9 . 1 1 58 58 ALA CB C 58 18.534 18.534 18.951 -0.417 18302 3775 1 9 . 1 1 58 58 ALA H H 58 8.153 8.153 8.337 -0.184 18302 3776 1 9 . 1 1 59 59 ALA N N 59 123.120 123.120 120.894 2.226 18302 3777 1 9 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.844 0.202 18302 3778 1 9 . 1 1 59 59 ALA C C 59 180.385 180.385 177.849 2.536 18302 3779 1 9 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.396 2.533 18302 3780 1 9 . 1 1 59 59 ALA H H 59 8.807 8.807 8.129 0.678 18302 3781 1 9 . 1 1 60 60 ARG N N 60 119.705 119.705 120.118 -0.413 18302 3782 1 9 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.214 -0.226 18302 3783 1 9 . 1 1 60 60 ARG C C 60 179.348 179.348 177.339 2.009 18302 3784 1 9 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.399 3.209 18302 3785 1 9 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.055 0.240 18302 3786 1 9 . 1 1 60 60 ARG H H 60 8.674 8.674 8.300 0.374 18302 3787 1 9 . 1 1 61 61 GLN N N 61 119.132 119.132 116.344 2.788 18302 3788 1 9 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.999 0.097 18302 3789 1 9 . 1 1 61 61 GLN C C 61 177.615 177.615 174.612 3.003 18302 3790 1 9 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.922 2.308 18302 3791 1 9 . 1 1 61 61 GLN H H 61 8.053 8.053 8.258 -0.205 18302 3792 1 9 . 1 1 62 62 ALA N N 62 120.910 120.910 117.467 3.443 18302 3793 1 9 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.242 -1.065 18302 3794 1 9 . 1 1 62 62 ALA C C 62 179.311 179.311 176.585 2.726 18302 3795 1 9 . 1 1 62 62 ALA CA C 62 53.947 53.947 48.747 5.200 18302 3796 1 9 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.466 -3.930 18302 3797 1 9 . 1 1 62 62 ALA H H 62 7.920 7.920 7.284 0.636 18302 3798 1 9 . 1 1 63 63 LYS N N 63 117.863 117.863 122.517 -4.654 18302 3799 1 9 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.985 -0.829 18302 3800 1 9 . 1 1 63 63 LYS C C 63 178.324 178.324 176.185 2.139 18302 3801 1 9 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.218 4.669 18302 3802 1 9 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.233 -0.452 18302 3803 1 9 . 1 1 63 63 LYS H H 63 7.680 7.680 8.693 -1.013 18302 3804 1 9 . 1 1 64 64 LEU N N 64 119.697 119.697 128.674 -8.977 18302 3805 1 9 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.752 -0.559 18302 3806 1 9 . 1 1 64 64 LEU C C 64 178.459 178.459 178.400 0.059 18302 3807 1 9 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.041 2.402 18302 3808 1 9 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.417 -1.256 18302 3809 1 9 . 1 1 64 64 LEU H H 64 7.895 7.895 8.800 -0.905 18302 3810 1 9 . 1 1 65 65 MET N N 65 117.184 117.184 119.880 -2.696 18302 3811 1 9 . 1 1 65 65 MET HA H 65 4.472 4.472 4.196 0.276 18302 3812 1 9 . 1 1 65 65 MET C C 65 177.053 177.053 175.892 1.161 18302 3813 1 9 . 1 1 65 65 MET CA C 65 55.889 55.889 60.787 -4.898 18302 3814 1 9 . 1 1 65 65 MET CB C 65 33.010 33.010 29.918 3.092 18302 3815 1 9 . 1 1 65 65 MET H H 65 7.958 7.958 9.289 -1.331 18302 3816 1 9 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.957 -0.107 18302 3817 1 9 . 1 1 66 66 GLY C C 66 174.137 174.137 176.098 -1.961 18302 3818 1 9 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.959 -2.369 18302 3819 1 9 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.084 -0.251 18302 3820 1 9 . 1 1 67 67 SER N N 67 115.622 115.622 114.044 1.578 18302 3821 1 9 . 1 1 67 67 SER HA H 67 4.472 4.472 4.037 0.435 18302 3822 1 9 . 1 1 67 67 SER C C 67 173.300 173.300 176.642 -3.342 18302 3823 1 9 . 1 1 67 67 SER CA C 67 58.182 58.182 61.665 -3.483 18302 3824 1 9 . 1 1 67 67 SER CB C 67 64.389 64.389 62.568 1.821 18302 3825 1 9 . 1 1 67 67 SER H H 67 8.127 8.127 8.373 -0.246 18302 3826 1 9 . 1 1 68 68 ALA N N 68 131.351 131.351 123.150 8.201 18302 3827 1 9 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.941 0.259 18302 3828 1 9 . 1 1 68 68 ALA C C 68 176.792 176.792 177.201 -0.409 18302 3829 1 9 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.289 -1.173 18302 3830 1 9 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.321 0.927 18302 3831 1 9 . 1 1 68 68 ALA H H 68 7.984 7.984 7.734 0.250 18302 3832 1 9 . 1 1 69 69 LEU N N 69 119.986 119.986 118.056 1.930 18302 3833 1 9 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.985 -0.635 18302 3834 1 9 . 1 1 69 69 LEU C C 69 178.468 178.468 177.665 0.803 18302 3835 1 9 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.166 0.753 18302 3836 1 9 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.620 -0.620 18302 3837 1 9 . 1 1 69 69 LEU H H 69 9.062 9.062 7.391 1.671 18302 3838 1 9 . 1 1 70 70 THR N N 70 114.834 114.834 113.939 0.895 18302 3839 1 9 . 1 1 70 70 THR HA H 70 4.100 4.100 4.179 -0.079 18302 3840 1 9 . 1 1 70 70 THR C C 70 176.391 176.391 176.612 -0.221 18302 3841 1 9 . 1 1 70 70 THR CA C 70 61.833 61.833 65.418 -3.586 18302 3842 1 9 . 1 1 70 70 THR CB C 70 68.267 68.267 69.666 -1.399 18302 3843 1 9 . 1 1 70 70 THR H H 70 7.710 7.710 7.639 0.071 18302 3844 1 9 . 1 1 71 71 MET N N 71 120.233 120.233 121.868 -1.635 18302 3845 1 9 . 1 1 71 71 MET HA H 71 3.850 3.850 4.036 -0.186 18302 3846 1 9 . 1 1 71 71 MET C C 71 178.145 178.145 178.242 -0.097 18302 3847 1 9 . 1 1 71 71 MET CA C 71 58.768 58.768 58.714 0.054 18302 3848 1 9 . 1 1 71 71 MET CB C 71 31.233 31.233 32.102 -0.869 18302 3849 1 9 . 1 1 71 71 MET H H 71 7.034 7.034 8.505 -1.471 18302 3850 1 9 . 1 1 72 72 MET N N 72 118.621 118.621 115.412 3.209 18302 3851 1 9 . 1 1 72 72 MET HA H 72 3.800 3.800 4.402 -0.602 18302 3852 1 9 . 1 1 72 72 MET C C 72 178.930 178.930 176.420 2.510 18302 3853 1 9 . 1 1 72 72 MET CA C 72 56.500 56.500 57.168 -0.668 18302 3854 1 9 . 1 1 72 72 MET CB C 72 32.733 32.733 32.732 0.001 18302 3855 1 9 . 1 1 72 72 MET H H 72 7.839 7.839 7.531 0.308 18302 3856 1 9 . 1 1 73 73 ALA N N 73 120.567 120.567 121.272 -0.705 18302 3857 1 9 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.511 -0.376 18302 3858 1 9 . 1 1 73 73 ALA C C 73 179.332 179.332 178.088 1.244 18302 3859 1 9 . 1 1 73 73 ALA CA C 73 54.080 54.080 51.563 2.517 18302 3860 1 9 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.674 -0.221 18302 3861 1 9 . 1 1 73 73 ALA H H 73 8.240 8.240 8.303 -0.063 18302 3862 1 9 . 1 1 74 74 ARG N N 74 116.784 116.784 118.837 -2.053 18302 3863 1 9 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.024 0.113 18302 3864 1 9 . 1 1 74 74 ARG C C 74 177.511 177.511 176.260 1.251 18302 3865 1 9 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.778 0.818 18302 3866 1 9 . 1 1 74 74 ARG CB C 74 30.406 30.406 29.603 0.803 18302 3867 1 9 . 1 1 74 74 ARG H H 74 7.382 7.382 8.025 -0.643 18302 3868 1 9 . 1 1 75 75 LYS N N 75 118.548 118.548 118.995 -0.447 18302 3869 1 9 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.207 0.099 18302 3870 1 9 . 1 1 75 75 LYS C C 75 176.937 176.937 176.513 0.424 18302 3871 1 9 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.281 -1.281 18302 3872 1 9 . 1 1 75 75 LYS CB C 75 32.750 32.750 33.021 -0.271 18302 3873 1 9 . 1 1 75 75 LYS H H 75 7.732 7.732 7.641 0.091 18302 3874 1 9 . 1 1 76 76 MET N N 76 120.367 120.367 119.444 0.923 18302 3875 1 9 . 1 1 76 76 MET HA H 76 4.443 4.443 4.478 -0.035 18302 3876 1 9 . 1 1 76 76 MET C C 76 175.539 175.539 176.373 -0.834 18302 3877 1 9 . 1 1 76 76 MET CA C 76 55.500 55.500 55.472 0.028 18302 3878 1 9 . 1 1 76 76 MET CB C 76 32.733 32.733 32.953 -0.220 18302 3879 1 9 . 1 1 76 76 MET H H 76 7.863 7.863 8.275 -0.412 18302 3880 1 10 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.848 -0.232 18302 3881 1 10 . 1 1 2 2 ASP C C 2 175.975 175.975 175.536 0.439 18302 3882 1 10 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.142 0.524 18302 3883 1 10 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.062 0.126 18302 3884 1 10 . 1 1 3 3 GLN N N 3 119.995 119.995 123.797 -3.802 18302 3885 1 10 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.457 -0.074 18302 3886 1 10 . 1 1 3 3 GLN C C 3 175.927 175.927 174.408 1.519 18302 3887 1 10 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.182 -2.529 18302 3888 1 10 . 1 1 3 3 GLN CB C 3 29.234 29.234 30.677 -1.443 18302 3889 1 10 . 1 1 3 3 GLN H H 3 8.414 8.414 8.395 0.019 18302 3890 1 10 . 1 1 4 4 LEU N N 4 123.586 123.586 122.730 0.856 18302 3891 1 10 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.487 0.183 18302 3892 1 10 . 1 1 4 4 LEU C C 4 177.983 177.983 176.566 1.417 18302 3893 1 10 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.151 -1.485 18302 3894 1 10 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.494 1.038 18302 3895 1 10 . 1 1 4 4 LEU H H 4 8.352 8.352 8.423 -0.071 18302 3896 1 10 . 1 1 5 5 THR N N 5 113.292 113.292 115.781 -2.489 18302 3897 1 10 . 1 1 5 5 THR HA H 5 4.470 4.470 4.341 0.129 18302 3898 1 10 . 1 1 5 5 THR C C 5 175.729 175.729 174.260 1.469 18302 3899 1 10 . 1 1 5 5 THR CA C 5 60.526 60.526 61.337 -0.811 18302 3900 1 10 . 1 1 5 5 THR CB C 5 71.541 71.541 70.051 1.490 18302 3901 1 10 . 1 1 5 5 THR H H 5 8.735 8.735 7.974 0.761 18302 3902 1 10 . 1 1 6 6 GLU N N 6 120.507 120.507 122.450 -1.943 18302 3903 1 10 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.969 0.022 18302 3904 1 10 . 1 1 6 6 GLU C C 6 179.816 179.816 177.687 2.129 18302 3905 1 10 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.425 -0.485 18302 3906 1 10 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.722 -0.488 18302 3907 1 10 . 1 1 6 6 GLU H H 6 9.060 9.060 8.850 0.210 18302 3908 1 10 . 1 1 7 7 GLU N N 7 120.000 120.000 119.454 0.546 18302 3909 1 10 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.812 0.273 18302 3910 1 10 . 1 1 7 7 GLU C C 7 179.588 179.588 178.531 1.057 18302 3911 1 10 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.920 0.020 18302 3912 1 10 . 1 1 7 7 GLU CB C 7 28.833 28.833 29.220 -0.387 18302 3913 1 10 . 1 1 7 7 GLU H H 7 8.770 8.770 8.352 0.418 18302 3914 1 10 . 1 1 8 8 GLN N N 8 120.798 120.798 119.343 1.455 18302 3915 1 10 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.046 -0.216 18302 3916 1 10 . 1 1 8 8 GLN C C 8 178.179 178.179 178.890 -0.711 18302 3917 1 10 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.019 -0.699 18302 3918 1 10 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.268 0.965 18302 3919 1 10 . 1 1 8 8 GLN H H 8 7.755 7.755 8.311 -0.556 18302 3920 1 10 . 1 1 9 9 ILE N N 9 119.028 119.028 116.671 2.357 18302 3921 1 10 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.921 -0.321 18302 3922 1 10 . 1 1 9 9 ILE C C 9 178.147 178.147 177.899 0.248 18302 3923 1 10 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.942 1.678 18302 3924 1 10 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.346 0.306 18302 3925 1 10 . 1 1 9 9 ILE H H 9 8.253 8.253 7.669 0.584 18302 3926 1 10 . 1 1 10 10 ALA N N 10 120.587 120.587 122.535 -1.948 18302 3927 1 10 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.884 0.256 18302 3928 1 10 . 1 1 10 10 ALA C C 10 181.279 181.279 179.446 1.833 18302 3929 1 10 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.177 0.075 18302 3930 1 10 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.823 -0.323 18302 3931 1 10 . 1 1 10 10 ALA H H 10 8.051 8.051 8.173 -0.122 18302 3932 1 10 . 1 1 11 11 GLU N N 11 120.436 120.436 120.541 -0.105 18302 3933 1 10 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.035 0.160 18302 3934 1 10 . 1 1 11 11 GLU C C 11 180.542 180.542 178.707 1.835 18302 3935 1 10 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.324 0.030 18302 3936 1 10 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.858 -0.624 18302 3937 1 10 . 1 1 11 11 GLU H H 11 7.795 7.795 8.573 -0.778 18302 3938 1 10 . 1 1 12 12 PHE N N 12 120.654 120.654 119.724 0.930 18302 3939 1 10 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.448 0.602 18302 3940 1 10 . 1 1 12 12 PHE C C 12 179.155 179.155 177.204 1.951 18302 3941 1 10 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.537 -1.777 18302 3942 1 10 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.671 -1.671 18302 3943 1 10 . 1 1 12 12 PHE H H 12 8.541 8.541 8.387 0.154 18302 3944 1 10 . 1 1 13 13 LYS N N 13 123.600 123.600 119.962 3.638 18302 3945 1 10 . 1 1 13 13 LYS HA H 13 3.993 3.993 2.966 1.027 18302 3946 1 10 . 1 1 13 13 LYS C C 13 179.523 179.523 178.407 1.116 18302 3947 1 10 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.095 0.845 18302 3948 1 10 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.608 0.125 18302 3949 1 10 . 1 1 13 13 LYS H H 13 9.279 9.279 7.478 1.801 18302 3950 1 10 . 1 1 14 14 GLU N N 14 121.150 121.150 119.100 2.050 18302 3951 1 10 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.807 0.314 18302 3952 1 10 . 1 1 14 14 GLU C C 14 179.859 179.859 178.812 1.047 18302 3953 1 10 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.321 0.033 18302 3954 1 10 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.454 0.279 18302 3955 1 10 . 1 1 14 14 GLU H H 14 8.036 8.036 7.998 0.038 18302 3956 1 10 . 1 1 15 15 ALA N N 15 122.010 122.010 121.730 0.280 18302 3957 1 10 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.836 0.513 18302 3958 1 10 . 1 1 15 15 ALA C C 15 178.785 178.785 179.294 -0.509 18302 3959 1 10 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.858 0.394 18302 3960 1 10 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.443 -0.443 18302 3961 1 10 . 1 1 15 15 ALA H H 15 8.034 8.034 7.800 0.234 18302 3962 1 10 . 1 1 16 16 PHE N N 16 119.032 119.032 118.738 0.294 18302 3963 1 10 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.823 -0.523 18302 3964 1 10 . 1 1 16 16 PHE C C 16 178.534 178.534 177.041 1.493 18302 3965 1 10 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.659 2.341 18302 3966 1 10 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.381 1.619 18302 3967 1 10 . 1 1 16 16 PHE H H 16 8.633 8.633 8.551 0.082 18302 3968 1 10 . 1 1 17 17 SER N N 17 113.786 113.786 113.958 -0.172 18302 3969 1 10 . 1 1 17 17 SER HA H 17 4.100 4.100 3.097 1.003 18302 3970 1 10 . 1 1 17 17 SER C C 17 174.639 174.639 175.780 -1.141 18302 3971 1 10 . 1 1 17 17 SER CA C 17 61.500 61.500 61.080 0.421 18302 3972 1 10 . 1 1 17 17 SER CB C 17 63.500 63.500 62.840 0.660 18302 3973 1 10 . 1 1 17 17 SER H H 17 8.215 8.215 7.687 0.528 18302 3974 1 10 . 1 1 18 18 LEU N N 18 120.113 120.113 119.731 0.382 18302 3975 1 10 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.754 0.126 18302 3976 1 10 . 1 1 18 18 LEU C C 18 177.151 177.151 178.530 -1.379 18302 3977 1 10 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.351 -0.851 18302 3978 1 10 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.576 -0.076 18302 3979 1 10 . 1 1 18 18 LEU H H 18 7.417 7.417 7.117 0.300 18302 3980 1 10 . 1 1 19 19 PHE N N 19 112.070 112.070 117.542 -5.472 18302 3981 1 10 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.184 0.216 18302 3982 1 10 . 1 1 19 19 PHE C C 19 175.699 175.699 176.969 -1.270 18302 3983 1 10 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.401 -1.001 18302 3984 1 10 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.785 3.115 18302 3985 1 10 . 1 1 19 19 PHE H H 19 7.043 7.043 7.392 -0.349 18302 3986 1 10 . 1 1 20 20 ASP N N 20 116.223 116.223 119.851 -3.628 18302 3987 1 10 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.478 0.122 18302 3988 1 10 . 1 1 20 20 ASP C C 20 177.625 177.625 177.006 0.619 18302 3989 1 10 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.324 -2.002 18302 3990 1 10 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.360 0.070 18302 3991 1 10 . 1 1 20 20 ASP H H 20 7.484 7.484 7.946 -0.462 18302 3992 1 10 . 1 1 21 21 LYS N N 21 124.544 124.544 123.063 1.481 18302 3993 1 10 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.980 0.020 18302 3994 1 10 . 1 1 21 21 LYS C C 21 178.513 178.513 178.293 0.220 18302 3995 1 10 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.165 -0.465 18302 3996 1 10 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.141 2.059 18302 3997 1 10 . 1 1 21 21 LYS H H 21 7.601 7.601 8.651 -1.050 18302 3998 1 10 . 1 1 22 22 ASP N N 22 114.320 114.320 116.973 -2.653 18302 3999 1 10 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.471 0.163 18302 4000 1 10 . 1 1 22 22 ASP C C 22 178.039 178.039 177.418 0.621 18302 4001 1 10 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.969 -2.061 18302 4002 1 10 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.665 -0.649 18302 4003 1 10 . 1 1 22 22 ASP H H 22 8.241 8.241 8.127 0.114 18302 4004 1 10 . 1 1 23 23 GLY N N 23 109.478 109.478 108.415 1.063 18302 4005 1 10 . 1 1 23 23 GLY C C 23 175.427 175.427 174.707 0.720 18302 4006 1 10 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.969 1.079 18302 4007 1 10 . 1 1 23 23 GLY H H 23 7.680 7.680 8.031 -0.351 18302 4008 1 10 . 1 1 24 24 ASP N N 24 121.007 121.007 120.046 0.961 18302 4009 1 10 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.632 -0.132 18302 4010 1 10 . 1 1 24 24 ASP C C 24 177.660 177.660 177.699 -0.039 18302 4011 1 10 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.146 0.934 18302 4012 1 10 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.279 -0.677 18302 4013 1 10 . 1 1 24 24 ASP H H 24 8.523 8.523 8.255 0.268 18302 4014 1 10 . 1 1 25 25 GLY N N 25 112.961 112.961 109.688 3.273 18302 4015 1 10 . 1 1 25 25 GLY C C 25 174.198 174.198 173.767 0.431 18302 4016 1 10 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.584 -0.293 18302 4017 1 10 . 1 1 25 25 GLY H H 25 10.539 10.539 9.182 1.357 18302 4018 1 10 . 1 1 26 26 THR N N 26 112.593 112.593 110.079 2.514 18302 4019 1 10 . 1 1 26 26 THR HA H 26 5.560 5.560 5.137 0.423 18302 4020 1 10 . 1 1 26 26 THR C C 26 173.991 173.991 173.037 0.954 18302 4021 1 10 . 1 1 26 26 THR CA C 26 59.500 59.500 59.680 -0.180 18302 4022 1 10 . 1 1 26 26 THR CB C 26 73.299 73.299 72.678 0.621 18302 4023 1 10 . 1 1 26 26 THR H H 26 8.304 8.304 8.645 -0.341 18302 4024 1 10 . 1 1 27 27 ILE N N 27 126.868 126.868 121.221 5.647 18302 4025 1 10 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.954 -0.204 18302 4026 1 10 . 1 1 27 27 ILE C C 27 176.338 176.338 175.545 0.793 18302 4027 1 10 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.058 1.054 18302 4028 1 10 . 1 1 27 27 ILE CB C 27 40.000 40.000 41.060 -1.060 18302 4029 1 10 . 1 1 27 27 ILE H H 27 9.988 9.988 8.246 1.742 18302 4030 1 10 . 1 1 28 28 THR N N 28 116.237 116.237 120.116 -3.879 18302 4031 1 10 . 1 1 28 28 THR HA H 28 4.850 4.850 5.100 -0.250 18302 4032 1 10 . 1 1 28 28 THR C C 28 176.422 176.422 176.080 0.342 18302 4033 1 10 . 1 1 28 28 THR CA C 28 59.000 59.000 60.435 -1.435 18302 4034 1 10 . 1 1 28 28 THR CB C 28 72.713 72.713 72.100 0.613 18302 4035 1 10 . 1 1 28 28 THR H H 28 8.233 8.233 8.917 -0.684 18302 4036 1 10 . 1 1 29 29 THR N N 29 114.660 114.660 117.786 -3.126 18302 4037 1 10 . 1 1 29 29 THR HA H 29 3.800 3.800 3.923 -0.123 18302 4038 1 10 . 1 1 29 29 THR C C 29 177.772 177.772 176.419 1.353 18302 4039 1 10 . 1 1 29 29 THR CA C 29 66.767 66.767 66.401 0.366 18302 4040 1 10 . 1 1 29 29 THR CB C 29 68.611 68.611 68.424 0.187 18302 4041 1 10 . 1 1 29 29 THR H H 29 9.316 9.316 9.034 0.282 18302 4042 1 10 . 1 1 30 30 LYS N N 30 121.300 121.300 122.292 -0.992 18302 4043 1 10 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.004 0.124 18302 4044 1 10 . 1 1 30 30 LYS C C 30 180.194 180.194 178.808 1.386 18302 4045 1 10 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.160 -0.806 18302 4046 1 10 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.725 0.439 18302 4047 1 10 . 1 1 30 30 LYS H H 30 7.900 7.900 8.580 -0.680 18302 4048 1 10 . 1 1 31 31 GLU N N 31 122.184 122.184 119.914 2.270 18302 4049 1 10 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.047 -0.047 18302 4050 1 10 . 1 1 31 31 GLU C C 31 178.964 178.964 179.010 -0.046 18302 4051 1 10 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.462 0.478 18302 4052 1 10 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.373 0.447 18302 4053 1 10 . 1 1 31 31 GLU H H 31 7.900 7.900 8.130 -0.230 18302 4054 1 10 . 1 1 32 32 LEU N N 32 120.000 120.000 120.478 -0.478 18302 4055 1 10 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.191 -0.041 18302 4056 1 10 . 1 1 32 32 LEU C C 32 179.190 179.190 178.804 0.386 18302 4057 1 10 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.024 0.158 18302 4058 1 10 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.620 0.740 18302 4059 1 10 . 1 1 32 32 LEU H H 32 8.600 8.600 8.416 0.184 18302 4060 1 10 . 1 1 33 33 GLY N N 33 105.412 105.412 106.046 -0.634 18302 4061 1 10 . 1 1 33 33 GLY C C 33 175.371 175.371 175.909 -0.538 18302 4062 1 10 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.880 0.926 18302 4063 1 10 . 1 1 33 33 GLY H H 33 8.730 8.730 8.797 -0.067 18302 4064 1 10 . 1 1 34 34 THR N N 34 118.762 118.762 119.400 -0.638 18302 4065 1 10 . 1 1 34 34 THR HA H 34 3.950 3.950 3.991 -0.041 18302 4066 1 10 . 1 1 34 34 THR C C 34 177.681 177.681 176.667 1.014 18302 4067 1 10 . 1 1 34 34 THR CA C 34 66.767 66.767 67.418 -0.651 18302 4068 1 10 . 1 1 34 34 THR CB C 34 69.197 69.197 68.556 0.641 18302 4069 1 10 . 1 1 34 34 THR H H 34 8.104 8.104 8.111 -0.007 18302 4070 1 10 . 1 1 35 35 VAL N N 35 122.943 122.943 122.816 0.127 18302 4071 1 10 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.850 -0.180 18302 4072 1 10 . 1 1 35 35 VAL C C 35 179.691 179.691 178.346 1.345 18302 4073 1 10 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.594 -0.027 18302 4074 1 10 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.579 0.254 18302 4075 1 10 . 1 1 35 35 VAL H H 35 8.230 8.230 7.579 0.651 18302 4076 1 10 . 1 1 36 36 MET N N 36 118.074 118.074 118.243 -0.169 18302 4077 1 10 . 1 1 36 36 MET HA H 36 4.124 4.124 4.080 0.043 18302 4078 1 10 . 1 1 36 36 MET C C 36 179.518 179.518 178.407 1.111 18302 4079 1 10 . 1 1 36 36 MET CA C 36 58.400 58.400 59.447 -1.047 18302 4080 1 10 . 1 1 36 36 MET CB C 36 31.233 31.233 32.358 -1.125 18302 4081 1 10 . 1 1 36 36 MET H H 36 8.746 8.746 8.527 0.219 18302 4082 1 10 . 1 1 37 37 ARG N N 37 118.931 118.931 120.761 -1.830 18302 4083 1 10 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.203 0.647 18302 4084 1 10 . 1 1 37 37 ARG C C 37 181.608 181.608 179.337 2.271 18302 4085 1 10 . 1 1 37 37 ARG CA C 37 59.354 59.354 58.258 1.096 18302 4086 1 10 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.004 -0.184 18302 4087 1 10 . 1 1 37 37 ARG H H 37 8.559 8.559 8.610 -0.051 18302 4088 1 10 . 1 1 38 38 SER N N 38 119.164 119.164 116.653 2.511 18302 4089 1 10 . 1 1 38 38 SER HA H 38 4.445 4.445 4.202 0.243 18302 4090 1 10 . 1 1 38 38 SER C C 38 175.212 175.212 176.145 -0.933 18302 4091 1 10 . 1 1 38 38 SER CA C 38 61.698 61.698 61.409 0.289 18302 4092 1 10 . 1 1 38 38 SER CB C 38 62.733 62.733 62.755 -0.022 18302 4093 1 10 . 1 1 38 38 SER H H 38 8.075 8.075 8.430 -0.355 18302 4094 1 10 . 1 1 39 39 LEU N N 39 120.667 120.667 120.166 0.501 18302 4095 1 10 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.397 -0.167 18302 4096 1 10 . 1 1 39 39 LEU C C 39 177.740 177.740 177.821 -0.081 18302 4097 1 10 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.249 -0.946 18302 4098 1 10 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.443 -0.669 18302 4099 1 10 . 1 1 39 39 LEU H H 39 7.419 7.419 7.511 -0.092 18302 4100 1 10 . 1 1 40 40 GLY N N 40 107.175 107.175 105.774 1.401 18302 4101 1 10 . 1 1 40 40 GLY C C 40 174.723 174.723 174.427 0.296 18302 4102 1 10 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.469 1.031 18302 4103 1 10 . 1 1 40 40 GLY H H 40 7.900 7.900 8.044 -0.144 18302 4104 1 10 . 1 1 41 41 GLN N N 41 117.918 117.918 120.407 -2.489 18302 4105 1 10 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.326 -0.196 18302 4106 1 10 . 1 1 41 41 GLN C C 41 174.428 174.428 176.153 -1.725 18302 4107 1 10 . 1 1 41 41 GLN CA C 41 55.000 55.000 55.084 -0.084 18302 4108 1 10 . 1 1 41 41 GLN CB C 41 29.820 29.820 29.110 0.710 18302 4109 1 10 . 1 1 41 41 GLN H H 41 7.746 7.746 7.947 -0.201 18302 4110 1 10 . 1 1 42 42 ASN N N 42 119.000 119.000 123.601 -4.601 18302 4111 1 10 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.571 0.029 18302 4112 1 10 . 1 1 42 42 ASN H H 42 8.250 8.250 8.514 -0.264 18302 4113 1 10 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.287 0.913 18302 4114 1 10 . 1 1 43 43 PRO C C 43 177.909 177.909 175.973 1.936 18302 4115 1 10 . 1 1 43 43 PRO CA C 43 62.284 62.284 64.273 -1.989 18302 4116 1 10 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.740 -0.007 18302 4117 1 10 . 1 1 44 44 THR N N 44 113.390 113.390 117.591 -4.201 18302 4118 1 10 . 1 1 44 44 THR HA H 44 4.450 4.450 4.378 0.072 18302 4119 1 10 . 1 1 44 44 THR C C 44 175.483 175.483 175.475 0.008 18302 4120 1 10 . 1 1 44 44 THR CA C 44 60.526 60.526 62.597 -2.071 18302 4121 1 10 . 1 1 44 44 THR CB C 44 71.541 71.541 68.417 3.124 18302 4122 1 10 . 1 1 44 44 THR H H 44 8.982 8.982 7.908 1.074 18302 4123 1 10 . 1 1 45 45 GLU N N 45 120.632 120.632 122.531 -1.899 18302 4124 1 10 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.007 -0.057 18302 4125 1 10 . 1 1 45 45 GLU C C 45 179.348 179.348 177.366 1.982 18302 4126 1 10 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.087 -0.087 18302 4127 1 10 . 1 1 45 45 GLU CB C 45 29.733 29.733 28.775 0.958 18302 4128 1 10 . 1 1 45 45 GLU H H 45 8.854 8.854 8.831 0.023 18302 4129 1 10 . 1 1 46 46 THR N N 46 121.035 121.035 121.287 -0.252 18302 4130 1 10 . 1 1 46 46 THR HA H 46 4.121 4.121 4.424 -0.303 18302 4131 1 10 . 1 1 46 46 THR C C 46 175.463 175.463 176.910 -1.447 18302 4132 1 10 . 1 1 46 46 THR CA C 46 62.324 62.324 64.542 -2.218 18302 4133 1 10 . 1 1 46 46 THR CB C 46 70.088 70.088 68.109 1.979 18302 4134 1 10 . 1 1 46 46 THR H H 46 8.295 8.295 8.268 0.027 18302 4135 1 10 . 1 1 47 47 GLY N N 47 111.232 111.232 108.686 2.546 18302 4136 1 10 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.068 -0.131 18302 4137 1 10 . 1 1 47 47 GLY C C 47 174.998 174.998 177.186 -2.188 18302 4138 1 10 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.707 -1.786 18302 4139 1 10 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.259 0.561 18302 4140 1 10 . 1 1 47 47 GLY H H 47 8.720 8.720 7.612 1.108 18302 4141 1 10 . 1 1 48 48 ALA N N 48 124.417 124.417 121.173 3.244 18302 4142 1 10 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.971 0.311 18302 4143 1 10 . 1 1 48 48 ALA C C 48 177.866 177.866 179.836 -1.970 18302 4144 1 10 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.418 -1.593 18302 4145 1 10 . 1 1 48 48 ALA CB C 48 19.387 19.387 17.893 1.494 18302 4146 1 10 . 1 1 48 48 ALA H H 48 8.365 8.365 7.684 0.681 18302 4147 1 10 . 1 1 49 49 ALA N N 49 122.129 122.129 121.576 0.553 18302 4148 1 10 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.844 0.402 18302 4149 1 10 . 1 1 49 49 ALA C C 49 178.647 178.647 180.111 -1.464 18302 4150 1 10 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.673 -2.502 18302 4151 1 10 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.557 -2.408 18302 4152 1 10 . 1 1 49 49 ALA H H 49 8.318 8.318 7.858 0.460 18302 4153 1 10 . 1 1 50 50 LEU N N 50 120.817 120.817 119.582 1.235 18302 4154 1 10 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.168 -0.043 18302 4155 1 10 . 1 1 50 50 LEU C C 50 177.367 177.367 178.457 -1.090 18302 4156 1 10 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.072 -1.346 18302 4157 1 10 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.201 -0.101 18302 4158 1 10 . 1 1 50 50 LEU H H 50 8.126 8.126 7.710 0.416 18302 4159 1 10 . 1 1 51 51 SER N N 51 116.273 116.273 114.734 1.539 18302 4160 1 10 . 1 1 51 51 SER HA H 51 4.057 4.057 4.144 -0.087 18302 4161 1 10 . 1 1 51 51 SER C C 51 175.939 175.939 176.752 -0.813 18302 4162 1 10 . 1 1 51 51 SER CA C 51 61.429 61.429 60.051 1.378 18302 4163 1 10 . 1 1 51 51 SER CB C 51 28.648 28.648 32.346 -3.697 18302 4164 1 10 . 1 1 51 51 SER H H 51 7.917 7.917 7.821 0.096 18302 4165 1 10 . 1 1 52 52 TRP N N 52 123.132 123.132 121.154 1.978 18302 4166 1 10 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.035 0.562 18302 4167 1 10 . 1 1 52 52 TRP C C 52 178.377 178.377 178.353 0.024 18302 4168 1 10 . 1 1 52 52 TRP CA C 52 61.665 61.665 62.038 -0.373 18302 4169 1 10 . 1 1 52 52 TRP CB C 52 29.388 29.388 28.997 0.392 18302 4170 1 10 . 1 1 52 52 TRP H H 52 8.732 8.732 8.896 -0.164 18302 4171 1 10 . 1 1 53 53 GLN N N 53 117.115 117.115 117.570 -0.455 18302 4172 1 10 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.999 -0.030 18302 4173 1 10 . 1 1 53 53 GLN C C 53 177.779 177.779 177.226 0.553 18302 4174 1 10 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.414 0.918 18302 4175 1 10 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.497 -0.346 18302 4176 1 10 . 1 1 53 53 GLN H H 53 8.480 8.480 7.818 0.662 18302 4177 1 10 . 1 1 54 54 ALA N N 54 120.557 120.557 122.070 -1.513 18302 4178 1 10 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.232 0.036 18302 4179 1 10 . 1 1 54 54 ALA C C 54 181.023 181.023 178.980 2.043 18302 4180 1 10 . 1 1 54 54 ALA CA C 54 54.640 54.640 53.548 1.092 18302 4181 1 10 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.729 -1.120 18302 4182 1 10 . 1 1 54 54 ALA H H 54 8.003 8.003 7.491 0.512 18302 4183 1 10 . 1 1 55 55 ALA N N 55 122.442 122.442 117.669 4.773 18302 4184 1 10 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.105 0.012 18302 4185 1 10 . 1 1 55 55 ALA C C 55 179.069 179.069 178.088 0.981 18302 4186 1 10 . 1 1 55 55 ALA CA C 55 55.478 55.478 53.502 1.976 18302 4187 1 10 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.774 -0.539 18302 4188 1 10 . 1 1 55 55 ALA H H 55 8.283 8.283 7.743 0.540 18302 4189 1 10 . 1 1 56 56 ILE N N 56 119.035 119.035 121.625 -2.590 18302 4190 1 10 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.910 -0.099 18302 4191 1 10 . 1 1 56 56 ILE C C 56 177.968 177.968 176.585 1.383 18302 4192 1 10 . 1 1 56 56 ILE CA C 56 65.950 65.950 62.314 3.636 18302 4193 1 10 . 1 1 56 56 ILE CB C 56 38.315 38.315 39.090 -0.775 18302 4194 1 10 . 1 1 56 56 ILE H H 56 8.682 8.682 7.563 1.119 18302 4195 1 10 . 1 1 57 57 ASP N N 57 119.160 119.160 127.437 -8.277 18302 4196 1 10 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.439 -0.039 18302 4197 1 10 . 1 1 57 57 ASP C C 57 179.117 179.117 177.540 1.577 18302 4198 1 10 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.215 -2.525 18302 4199 1 10 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.231 -0.591 18302 4200 1 10 . 1 1 57 57 ASP H H 57 8.393 8.393 8.961 -0.568 18302 4201 1 10 . 1 1 58 58 ALA N N 58 122.077 122.077 118.031 4.046 18302 4202 1 10 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.394 0.106 18302 4203 1 10 . 1 1 58 58 ALA C C 58 180.605 180.605 177.912 2.693 18302 4204 1 10 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.959 3.009 18302 4205 1 10 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.612 -1.078 18302 4206 1 10 . 1 1 58 58 ALA H H 58 8.153 8.153 7.886 0.267 18302 4207 1 10 . 1 1 59 59 ALA N N 59 123.120 123.120 122.355 0.765 18302 4208 1 10 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.952 0.094 18302 4209 1 10 . 1 1 59 59 ALA C C 59 180.385 180.385 177.678 2.707 18302 4210 1 10 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.880 2.049 18302 4211 1 10 . 1 1 59 59 ALA H H 59 8.807 8.807 8.567 0.240 18302 4212 1 10 . 1 1 60 60 ARG N N 60 119.705 119.705 121.944 -2.239 18302 4213 1 10 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.200 -0.212 18302 4214 1 10 . 1 1 60 60 ARG C C 60 179.348 179.348 177.264 2.084 18302 4215 1 10 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.297 3.311 18302 4216 1 10 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.798 -0.503 18302 4217 1 10 . 1 1 60 60 ARG H H 60 8.674 8.674 8.212 0.462 18302 4218 1 10 . 1 1 61 61 GLN N N 61 119.132 119.132 118.657 0.475 18302 4219 1 10 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.048 0.048 18302 4220 1 10 . 1 1 61 61 GLN C C 61 177.615 177.615 174.761 2.854 18302 4221 1 10 . 1 1 61 61 GLN CA C 61 58.230 58.230 56.289 1.941 18302 4222 1 10 . 1 1 61 61 GLN H H 61 8.053 8.053 8.945 -0.892 18302 4223 1 10 . 1 1 62 62 ALA N N 62 120.910 120.910 119.475 1.435 18302 4224 1 10 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.365 -1.188 18302 4225 1 10 . 1 1 62 62 ALA C C 62 179.311 179.311 175.820 3.491 18302 4226 1 10 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.636 4.311 18302 4227 1 10 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.209 -3.674 18302 4228 1 10 . 1 1 62 62 ALA H H 62 7.920 7.920 8.149 -0.229 18302 4229 1 10 . 1 1 63 63 LYS N N 63 117.863 117.863 122.866 -5.003 18302 4230 1 10 . 1 1 63 63 LYS HA H 63 4.156 4.156 5.084 -0.928 18302 4231 1 10 . 1 1 63 63 LYS C C 63 178.324 178.324 176.764 1.560 18302 4232 1 10 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.202 4.685 18302 4233 1 10 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.502 -0.722 18302 4234 1 10 . 1 1 63 63 LYS H H 63 7.680 7.680 8.487 -0.807 18302 4235 1 10 . 1 1 64 64 LEU N N 64 119.697 119.697 128.280 -8.583 18302 4236 1 10 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.666 -0.473 18302 4237 1 10 . 1 1 64 64 LEU C C 64 178.459 178.459 178.058 0.401 18302 4238 1 10 . 1 1 64 64 LEU CA C 64 56.443 56.443 53.774 2.669 18302 4239 1 10 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.067 -0.906 18302 4240 1 10 . 1 1 64 64 LEU H H 64 7.895 7.895 8.260 -0.365 18302 4241 1 10 . 1 1 65 65 MET N N 65 117.184 117.184 117.927 -0.743 18302 4242 1 10 . 1 1 65 65 MET HA H 65 4.472 4.472 4.166 0.306 18302 4243 1 10 . 1 1 65 65 MET C C 65 177.053 177.053 176.074 0.979 18302 4244 1 10 . 1 1 65 65 MET CA C 65 55.889 55.889 60.098 -4.209 18302 4245 1 10 . 1 1 65 65 MET CB C 65 33.010 33.010 29.830 3.180 18302 4246 1 10 . 1 1 65 65 MET H H 65 7.958 7.958 9.301 -1.343 18302 4247 1 10 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.988 -0.138 18302 4248 1 10 . 1 1 66 66 GLY C C 66 174.137 174.137 176.694 -2.557 18302 4249 1 10 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.886 -2.296 18302 4250 1 10 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.394 -0.561 18302 4251 1 10 . 1 1 67 67 SER N N 67 115.622 115.622 114.732 0.890 18302 4252 1 10 . 1 1 67 67 SER HA H 67 4.472 4.472 4.003 0.469 18302 4253 1 10 . 1 1 67 67 SER C C 67 173.300 173.300 176.757 -3.457 18302 4254 1 10 . 1 1 67 67 SER CA C 67 58.182 58.182 61.245 -3.063 18302 4255 1 10 . 1 1 67 67 SER CB C 67 64.389 64.389 62.849 1.540 18302 4256 1 10 . 1 1 67 67 SER H H 67 8.127 8.127 9.174 -1.047 18302 4257 1 10 . 1 1 68 68 ALA N N 68 131.351 131.351 122.848 8.503 18302 4258 1 10 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.947 0.253 18302 4259 1 10 . 1 1 68 68 ALA C C 68 176.792 176.792 177.243 -0.451 18302 4260 1 10 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.227 -1.111 18302 4261 1 10 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.363 0.885 18302 4262 1 10 . 1 1 68 68 ALA H H 68 7.984 7.984 7.620 0.364 18302 4263 1 10 . 1 1 69 69 LEU N N 69 119.986 119.986 118.872 1.114 18302 4264 1 10 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.799 -0.449 18302 4265 1 10 . 1 1 69 69 LEU C C 69 178.468 178.468 178.332 0.136 18302 4266 1 10 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.873 0.046 18302 4267 1 10 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.361 -0.361 18302 4268 1 10 . 1 1 69 69 LEU H H 69 9.062 9.062 7.755 1.307 18302 4269 1 10 . 1 1 70 70 THR N N 70 114.834 114.834 115.670 -0.836 18302 4270 1 10 . 1 1 70 70 THR HA H 70 4.100 4.100 3.973 0.127 18302 4271 1 10 . 1 1 70 70 THR C C 70 176.391 176.391 176.269 0.122 18302 4272 1 10 . 1 1 70 70 THR CA C 70 61.833 61.833 66.436 -4.603 18302 4273 1 10 . 1 1 70 70 THR CB C 70 68.267 68.267 69.085 -0.818 18302 4274 1 10 . 1 1 70 70 THR H H 70 7.710 7.710 7.589 0.121 18302 4275 1 10 . 1 1 71 71 MET N N 71 120.233 120.233 120.071 0.162 18302 4276 1 10 . 1 1 71 71 MET HA H 71 3.850 3.850 3.986 -0.136 18302 4277 1 10 . 1 1 71 71 MET C C 71 178.145 178.145 177.273 0.872 18302 4278 1 10 . 1 1 71 71 MET CA C 71 58.768 58.768 58.492 0.276 18302 4279 1 10 . 1 1 71 71 MET CB C 71 31.233 31.233 32.322 -1.089 18302 4280 1 10 . 1 1 71 71 MET H H 71 7.034 7.034 7.838 -0.804 18302 4281 1 10 . 1 1 72 72 MET N N 72 118.621 118.621 114.391 4.230 18302 4282 1 10 . 1 1 72 72 MET HA H 72 3.800 3.800 4.343 -0.543 18302 4283 1 10 . 1 1 72 72 MET C C 72 178.930 178.930 177.286 1.644 18302 4284 1 10 . 1 1 72 72 MET CA C 72 56.500 56.500 56.418 0.082 18302 4285 1 10 . 1 1 72 72 MET CB C 72 32.733 32.733 31.869 0.864 18302 4286 1 10 . 1 1 72 72 MET H H 72 7.839 7.839 7.835 0.004 18302 4287 1 10 . 1 1 73 73 ALA N N 73 120.567 120.567 123.921 -3.354 18302 4288 1 10 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.075 0.060 18302 4289 1 10 . 1 1 73 73 ALA C C 73 179.332 179.332 179.403 -0.071 18302 4290 1 10 . 1 1 73 73 ALA CA C 73 54.080 54.080 54.415 -0.335 18302 4291 1 10 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.750 -0.297 18302 4292 1 10 . 1 1 73 73 ALA H H 73 8.240 8.240 7.787 0.453 18302 4293 1 10 . 1 1 74 74 ARG N N 74 116.784 116.784 116.017 0.767 18302 4294 1 10 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.069 0.068 18302 4295 1 10 . 1 1 74 74 ARG C C 74 177.511 177.511 176.246 1.265 18302 4296 1 10 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.678 0.918 18302 4297 1 10 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.509 -0.103 18302 4298 1 10 . 1 1 74 74 ARG H H 74 7.382 7.382 7.776 -0.394 18302 4299 1 10 . 1 1 75 75 LYS N N 75 118.548 118.548 117.579 0.969 18302 4300 1 10 . 1 1 75 75 LYS HA H 75 4.306 4.306 3.930 0.376 18302 4301 1 10 . 1 1 75 75 LYS C C 75 176.937 176.937 175.701 1.236 18302 4302 1 10 . 1 1 75 75 LYS CA C 75 55.000 55.000 57.717 -2.717 18302 4303 1 10 . 1 1 75 75 LYS CB C 75 32.750 32.750 32.359 0.391 18302 4304 1 10 . 1 1 75 75 LYS H H 75 7.732 7.732 7.181 0.551 18302 4305 1 10 . 1 1 76 76 MET N N 76 120.367 120.367 121.153 -0.786 18302 4306 1 10 . 1 1 76 76 MET HA H 76 4.443 4.443 4.600 -0.157 18302 4307 1 10 . 1 1 76 76 MET C C 76 175.539 175.539 174.580 0.959 18302 4308 1 10 . 1 1 76 76 MET CA C 76 55.500 55.500 55.150 0.350 18302 4309 1 10 . 1 1 76 76 MET CB C 76 32.733 32.733 31.312 1.421 18302 4310 1 10 . 1 1 76 76 MET H H 76 7.863 7.863 8.554 -0.691 18302 4311 1 11 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.293 0.323 18302 4312 1 11 . 1 1 2 2 ASP C C 2 175.975 175.975 175.139 0.836 18302 4313 1 11 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.773 -0.107 18302 4314 1 11 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.118 1.070 18302 4315 1 11 . 1 1 3 3 GLN N N 3 119.995 119.995 119.303 0.692 18302 4316 1 11 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.634 -0.251 18302 4317 1 11 . 1 1 3 3 GLN C C 3 175.927 175.927 175.244 0.683 18302 4318 1 11 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.170 -2.517 18302 4319 1 11 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.828 -0.594 18302 4320 1 11 . 1 1 3 3 GLN H H 3 8.414 8.414 8.081 0.333 18302 4321 1 11 . 1 1 4 4 LEU N N 4 123.586 123.586 123.865 -0.279 18302 4322 1 11 . 1 1 4 4 LEU HA H 4 4.670 4.670 5.026 -0.356 18302 4323 1 11 . 1 1 4 4 LEU C C 4 177.983 177.983 176.212 1.771 18302 4324 1 11 . 1 1 4 4 LEU CA C 4 54.666 54.666 54.134 0.532 18302 4325 1 11 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.788 0.744 18302 4326 1 11 . 1 1 4 4 LEU H H 4 8.352 8.352 8.546 -0.194 18302 4327 1 11 . 1 1 5 5 THR N N 5 113.292 113.292 110.490 2.802 18302 4328 1 11 . 1 1 5 5 THR HA H 5 4.470 4.470 4.312 0.158 18302 4329 1 11 . 1 1 5 5 THR C C 5 175.729 175.729 174.020 1.709 18302 4330 1 11 . 1 1 5 5 THR CA C 5 60.526 60.526 61.306 -0.780 18302 4331 1 11 . 1 1 5 5 THR CB C 5 71.541 71.541 70.587 0.954 18302 4332 1 11 . 1 1 5 5 THR H H 5 8.735 8.735 7.864 0.871 18302 4333 1 11 . 1 1 6 6 GLU N N 6 120.507 120.507 121.417 -0.910 18302 4334 1 11 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.963 0.028 18302 4335 1 11 . 1 1 6 6 GLU C C 6 179.816 179.816 177.943 1.873 18302 4336 1 11 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.213 -0.273 18302 4337 1 11 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.677 -0.443 18302 4338 1 11 . 1 1 6 6 GLU H H 6 9.060 9.060 8.909 0.151 18302 4339 1 11 . 1 1 7 7 GLU N N 7 120.000 120.000 118.421 1.579 18302 4340 1 11 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.829 0.256 18302 4341 1 11 . 1 1 7 7 GLU C C 7 179.588 179.588 178.918 0.670 18302 4342 1 11 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.585 0.355 18302 4343 1 11 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.594 0.239 18302 4344 1 11 . 1 1 7 7 GLU H H 7 8.770 8.770 8.424 0.346 18302 4345 1 11 . 1 1 8 8 GLN N N 8 120.798 120.798 117.754 3.044 18302 4346 1 11 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.102 -0.272 18302 4347 1 11 . 1 1 8 8 GLN C C 8 178.179 178.179 178.761 -0.582 18302 4348 1 11 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.122 -0.802 18302 4349 1 11 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.158 1.075 18302 4350 1 11 . 1 1 8 8 GLN H H 8 7.755 7.755 8.353 -0.598 18302 4351 1 11 . 1 1 9 9 ILE N N 9 119.028 119.028 116.837 2.191 18302 4352 1 11 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.877 -0.277 18302 4353 1 11 . 1 1 9 9 ILE C C 9 178.147 178.147 178.113 0.034 18302 4354 1 11 . 1 1 9 9 ILE CA C 9 66.620 66.620 65.178 1.442 18302 4355 1 11 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.079 0.573 18302 4356 1 11 . 1 1 9 9 ILE H H 9 8.253 8.253 7.744 0.509 18302 4357 1 11 . 1 1 10 10 ALA N N 10 120.587 120.587 122.253 -1.666 18302 4358 1 11 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.926 0.214 18302 4359 1 11 . 1 1 10 10 ALA C C 10 181.279 181.279 179.562 1.717 18302 4360 1 11 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.221 0.031 18302 4361 1 11 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.861 -0.361 18302 4362 1 11 . 1 1 10 10 ALA H H 10 8.051 8.051 7.929 0.122 18302 4363 1 11 . 1 1 11 11 GLU N N 11 120.436 120.436 120.439 -0.003 18302 4364 1 11 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.093 0.102 18302 4365 1 11 . 1 1 11 11 GLU C C 11 180.542 180.542 178.765 1.777 18302 4366 1 11 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.348 0.006 18302 4367 1 11 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.616 -0.383 18302 4368 1 11 . 1 1 11 11 GLU H H 11 7.795 7.795 8.488 -0.693 18302 4369 1 11 . 1 1 12 12 PHE N N 12 120.654 120.654 120.020 0.634 18302 4370 1 11 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.332 0.718 18302 4371 1 11 . 1 1 12 12 PHE C C 12 179.155 179.155 177.209 1.946 18302 4372 1 11 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.496 -1.736 18302 4373 1 11 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.630 -1.631 18302 4374 1 11 . 1 1 12 12 PHE H H 12 8.541 8.541 8.563 -0.022 18302 4375 1 11 . 1 1 13 13 LYS N N 13 123.600 123.600 120.089 3.511 18302 4376 1 11 . 1 1 13 13 LYS HA H 13 3.993 3.993 2.858 1.135 18302 4377 1 11 . 1 1 13 13 LYS C C 13 179.523 179.523 178.429 1.094 18302 4378 1 11 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.100 0.840 18302 4379 1 11 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.513 0.220 18302 4380 1 11 . 1 1 13 13 LYS H H 13 9.279 9.279 7.426 1.853 18302 4381 1 11 . 1 1 14 14 GLU N N 14 121.150 121.150 118.737 2.413 18302 4382 1 11 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.868 0.253 18302 4383 1 11 . 1 1 14 14 GLU C C 14 179.859 179.859 178.761 1.098 18302 4384 1 11 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.183 0.171 18302 4385 1 11 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.329 0.404 18302 4386 1 11 . 1 1 14 14 GLU H H 14 8.036 8.036 7.823 0.213 18302 4387 1 11 . 1 1 15 15 ALA N N 15 122.010 122.010 122.127 -0.117 18302 4388 1 11 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.780 0.569 18302 4389 1 11 . 1 1 15 15 ALA C C 15 178.785 178.785 179.060 -0.275 18302 4390 1 11 . 1 1 15 15 ALA CA C 15 55.252 55.252 55.024 0.228 18302 4391 1 11 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.530 -0.530 18302 4392 1 11 . 1 1 15 15 ALA H H 15 8.034 8.034 7.663 0.371 18302 4393 1 11 . 1 1 16 16 PHE N N 16 119.032 119.032 118.561 0.471 18302 4394 1 11 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.942 -0.642 18302 4395 1 11 . 1 1 16 16 PHE C C 16 178.534 178.534 177.092 1.442 18302 4396 1 11 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.910 2.090 18302 4397 1 11 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.407 1.593 18302 4398 1 11 . 1 1 16 16 PHE H H 16 8.633 8.633 8.320 0.313 18302 4399 1 11 . 1 1 17 17 SER N N 17 113.786 113.786 114.488 -0.702 18302 4400 1 11 . 1 1 17 17 SER HA H 17 4.100 4.100 3.187 0.913 18302 4401 1 11 . 1 1 17 17 SER C C 17 174.639 174.639 175.476 -0.837 18302 4402 1 11 . 1 1 17 17 SER CA C 17 61.500 61.500 61.127 0.373 18302 4403 1 11 . 1 1 17 17 SER CB C 17 63.500 63.500 62.939 0.561 18302 4404 1 11 . 1 1 17 17 SER H H 17 8.215 8.215 7.799 0.416 18302 4405 1 11 . 1 1 18 18 LEU N N 18 120.113 120.113 119.621 0.492 18302 4406 1 11 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.802 0.078 18302 4407 1 11 . 1 1 18 18 LEU C C 18 177.151 177.151 178.251 -1.100 18302 4408 1 11 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.187 -0.687 18302 4409 1 11 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.668 -0.168 18302 4410 1 11 . 1 1 18 18 LEU H H 18 7.417 7.417 7.096 0.321 18302 4411 1 11 . 1 1 19 19 PHE N N 19 112.070 112.070 117.680 -5.610 18302 4412 1 11 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.184 0.216 18302 4413 1 11 . 1 1 19 19 PHE C C 19 175.699 175.699 176.843 -1.144 18302 4414 1 11 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.392 -0.992 18302 4415 1 11 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.875 3.025 18302 4416 1 11 . 1 1 19 19 PHE H H 19 7.043 7.043 7.274 -0.231 18302 4417 1 11 . 1 1 20 20 ASP N N 20 116.223 116.223 119.302 -3.079 18302 4418 1 11 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.579 0.021 18302 4419 1 11 . 1 1 20 20 ASP C C 20 177.625 177.625 177.293 0.332 18302 4420 1 11 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.755 -2.433 18302 4421 1 11 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.741 -0.311 18302 4422 1 11 . 1 1 20 20 ASP H H 20 7.484 7.484 7.847 -0.363 18302 4423 1 11 . 1 1 21 21 LYS N N 21 124.544 124.544 123.330 1.214 18302 4424 1 11 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.934 0.066 18302 4425 1 11 . 1 1 21 21 LYS C C 21 178.513 178.513 177.614 0.899 18302 4426 1 11 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.367 -0.667 18302 4427 1 11 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.263 1.937 18302 4428 1 11 . 1 1 21 21 LYS H H 21 7.601 7.601 8.380 -0.779 18302 4429 1 11 . 1 1 22 22 ASP N N 22 114.320 114.320 114.763 -0.443 18302 4430 1 11 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.476 0.158 18302 4431 1 11 . 1 1 22 22 ASP C C 22 178.039 178.039 177.630 0.409 18302 4432 1 11 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.268 -1.360 18302 4433 1 11 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.001 0.015 18302 4434 1 11 . 1 1 22 22 ASP H H 22 8.241 8.241 8.195 0.046 18302 4435 1 11 . 1 1 23 23 GLY N N 23 109.478 109.478 108.461 1.017 18302 4436 1 11 . 1 1 23 23 GLY C C 23 175.427 175.427 175.221 0.206 18302 4437 1 11 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.967 1.081 18302 4438 1 11 . 1 1 23 23 GLY H H 23 7.680 7.680 8.144 -0.464 18302 4439 1 11 . 1 1 24 24 ASP N N 24 121.007 121.007 119.406 1.601 18302 4440 1 11 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.584 -0.084 18302 4441 1 11 . 1 1 24 24 ASP C C 24 177.660 177.660 177.281 0.379 18302 4442 1 11 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.512 0.568 18302 4443 1 11 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.155 -0.553 18302 4444 1 11 . 1 1 24 24 ASP H H 24 8.523 8.523 9.138 -0.615 18302 4445 1 11 . 1 1 25 25 GLY N N 25 112.961 112.961 109.934 3.027 18302 4446 1 11 . 1 1 25 25 GLY C C 25 174.198 174.198 174.125 0.073 18302 4447 1 11 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.545 -0.255 18302 4448 1 11 . 1 1 25 25 GLY H H 25 10.539 10.539 9.047 1.492 18302 4449 1 11 . 1 1 26 26 THR N N 26 112.593 112.593 111.604 0.989 18302 4450 1 11 . 1 1 26 26 THR HA H 26 5.560 5.560 5.083 0.477 18302 4451 1 11 . 1 1 26 26 THR C C 26 173.991 173.991 173.002 0.989 18302 4452 1 11 . 1 1 26 26 THR CA C 26 59.500 59.500 60.106 -0.606 18302 4453 1 11 . 1 1 26 26 THR CB C 26 73.299 73.299 72.451 0.848 18302 4454 1 11 . 1 1 26 26 THR H H 26 8.304 8.304 8.630 -0.326 18302 4455 1 11 . 1 1 27 27 ILE N N 27 126.868 126.868 120.773 6.095 18302 4456 1 11 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.602 0.148 18302 4457 1 11 . 1 1 27 27 ILE C C 27 176.338 176.338 175.136 1.202 18302 4458 1 11 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.447 0.665 18302 4459 1 11 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.352 -0.352 18302 4460 1 11 . 1 1 27 27 ILE H H 27 9.988 9.988 8.327 1.661 18302 4461 1 11 . 1 1 28 28 THR N N 28 116.237 116.237 119.024 -2.787 18302 4462 1 11 . 1 1 28 28 THR HA H 28 4.850 4.850 4.973 -0.123 18302 4463 1 11 . 1 1 28 28 THR C C 28 176.422 176.422 175.846 0.576 18302 4464 1 11 . 1 1 28 28 THR CA C 28 59.000 59.000 58.720 0.280 18302 4465 1 11 . 1 1 28 28 THR CB C 28 72.713 72.713 70.545 2.168 18302 4466 1 11 . 1 1 28 28 THR H H 28 8.233 8.233 8.932 -0.699 18302 4467 1 11 . 1 1 29 29 THR N N 29 114.660 114.660 115.729 -1.069 18302 4468 1 11 . 1 1 29 29 THR HA H 29 3.800 3.800 4.021 -0.221 18302 4469 1 11 . 1 1 29 29 THR C C 29 177.772 177.772 176.453 1.319 18302 4470 1 11 . 1 1 29 29 THR CA C 29 66.767 66.767 67.033 -0.266 18302 4471 1 11 . 1 1 29 29 THR CB C 29 68.611 68.611 68.735 -0.124 18302 4472 1 11 . 1 1 29 29 THR H H 29 9.316 9.316 8.844 0.472 18302 4473 1 11 . 1 1 30 30 LYS N N 30 121.300 121.300 121.193 0.107 18302 4474 1 11 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.020 0.108 18302 4475 1 11 . 1 1 30 30 LYS C C 30 180.194 180.194 178.843 1.351 18302 4476 1 11 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.146 -0.792 18302 4477 1 11 . 1 1 30 30 LYS CB C 30 32.164 32.164 32.118 0.046 18302 4478 1 11 . 1 1 30 30 LYS H H 30 7.900 7.900 8.491 -0.591 18302 4479 1 11 . 1 1 31 31 GLU N N 31 122.184 122.184 119.792 2.392 18302 4480 1 11 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.016 -0.016 18302 4481 1 11 . 1 1 31 31 GLU C C 31 178.964 178.964 179.102 -0.138 18302 4482 1 11 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.458 0.482 18302 4483 1 11 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.326 0.494 18302 4484 1 11 . 1 1 31 31 GLU H H 31 7.900 7.900 8.233 -0.333 18302 4485 1 11 . 1 1 32 32 LEU N N 32 120.000 120.000 120.727 -0.727 18302 4486 1 11 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.170 -0.020 18302 4487 1 11 . 1 1 32 32 LEU C C 32 179.190 179.190 178.451 0.739 18302 4488 1 11 . 1 1 32 32 LEU CA C 32 58.182 58.182 57.982 0.200 18302 4489 1 11 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.625 0.735 18302 4490 1 11 . 1 1 32 32 LEU H H 32 8.600 8.600 8.099 0.501 18302 4491 1 11 . 1 1 33 33 GLY N N 33 105.412 105.412 106.321 -0.909 18302 4492 1 11 . 1 1 33 33 GLY C C 33 175.371 175.371 175.887 -0.516 18302 4493 1 11 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.886 0.920 18302 4494 1 11 . 1 1 33 33 GLY H H 33 8.730 8.730 8.826 -0.096 18302 4495 1 11 . 1 1 34 34 THR N N 34 118.762 118.762 119.388 -0.626 18302 4496 1 11 . 1 1 34 34 THR HA H 34 3.950 3.950 3.992 -0.042 18302 4497 1 11 . 1 1 34 34 THR C C 34 177.681 177.681 176.630 1.051 18302 4498 1 11 . 1 1 34 34 THR CA C 34 66.767 66.767 67.624 -0.857 18302 4499 1 11 . 1 1 34 34 THR CB C 34 69.197 69.197 68.496 0.701 18302 4500 1 11 . 1 1 34 34 THR H H 34 8.104 8.104 8.239 -0.135 18302 4501 1 11 . 1 1 35 35 VAL N N 35 122.943 122.943 121.798 1.145 18302 4502 1 11 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.707 -0.037 18302 4503 1 11 . 1 1 35 35 VAL C C 35 179.691 179.691 177.974 1.717 18302 4504 1 11 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.802 -0.235 18302 4505 1 11 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.539 0.294 18302 4506 1 11 . 1 1 35 35 VAL H H 35 8.230 8.230 7.533 0.697 18302 4507 1 11 . 1 1 36 36 MET N N 36 118.074 118.074 118.297 -0.223 18302 4508 1 11 . 1 1 36 36 MET HA H 36 4.124 4.124 4.078 0.046 18302 4509 1 11 . 1 1 36 36 MET C C 36 179.518 179.518 178.362 1.156 18302 4510 1 11 . 1 1 36 36 MET CA C 36 58.400 58.400 59.680 -1.280 18302 4511 1 11 . 1 1 36 36 MET CB C 36 31.233 31.233 32.433 -1.200 18302 4512 1 11 . 1 1 36 36 MET H H 36 8.746 8.746 8.513 0.233 18302 4513 1 11 . 1 1 37 37 ARG N N 37 118.931 118.931 120.781 -1.850 18302 4514 1 11 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.187 0.663 18302 4515 1 11 . 1 1 37 37 ARG C C 37 181.608 181.608 179.456 2.152 18302 4516 1 11 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.464 -0.110 18302 4517 1 11 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.447 -0.627 18302 4518 1 11 . 1 1 37 37 ARG H H 37 8.559 8.559 8.775 -0.216 18302 4519 1 11 . 1 1 38 38 SER N N 38 119.164 119.164 117.170 1.994 18302 4520 1 11 . 1 1 38 38 SER HA H 38 4.445 4.445 4.203 0.242 18302 4521 1 11 . 1 1 38 38 SER C C 38 175.212 175.212 175.924 -0.712 18302 4522 1 11 . 1 1 38 38 SER CA C 38 61.698 61.698 61.821 -0.123 18302 4523 1 11 . 1 1 38 38 SER CB C 38 62.733 62.733 62.731 0.002 18302 4524 1 11 . 1 1 38 38 SER H H 38 8.075 8.075 8.619 -0.544 18302 4525 1 11 . 1 1 39 39 LEU N N 39 120.667 120.667 118.701 1.966 18302 4526 1 11 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.430 -0.200 18302 4527 1 11 . 1 1 39 39 LEU C C 39 177.740 177.740 177.537 0.203 18302 4528 1 11 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.151 -0.848 18302 4529 1 11 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.612 -0.838 18302 4530 1 11 . 1 1 39 39 LEU H H 39 7.419 7.419 7.516 -0.097 18302 4531 1 11 . 1 1 40 40 GLY N N 40 107.175 107.175 106.839 0.336 18302 4532 1 11 . 1 1 40 40 GLY C C 40 174.723 174.723 173.675 1.048 18302 4533 1 11 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.725 0.775 18302 4534 1 11 . 1 1 40 40 GLY H H 40 7.900 7.900 8.037 -0.137 18302 4535 1 11 . 1 1 41 41 GLN N N 41 117.918 117.918 119.478 -1.560 18302 4536 1 11 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.472 -0.342 18302 4537 1 11 . 1 1 41 41 GLN C C 41 174.428 174.428 175.163 -0.735 18302 4538 1 11 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.321 0.680 18302 4539 1 11 . 1 1 41 41 GLN CB C 41 29.820 29.820 31.247 -1.427 18302 4540 1 11 . 1 1 41 41 GLN H H 41 7.746 7.746 8.348 -0.602 18302 4541 1 11 . 1 1 42 42 ASN N N 42 119.000 119.000 120.166 -1.166 18302 4542 1 11 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.552 0.048 18302 4543 1 11 . 1 1 42 42 ASN H H 42 8.250 8.250 8.694 -0.444 18302 4544 1 11 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.375 0.825 18302 4545 1 11 . 1 1 43 43 PRO C C 43 177.909 177.909 177.047 0.862 18302 4546 1 11 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.547 -1.263 18302 4547 1 11 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.120 -0.387 18302 4548 1 11 . 1 1 44 44 THR N N 44 113.390 113.390 113.752 -0.362 18302 4549 1 11 . 1 1 44 44 THR HA H 44 4.450 4.450 4.229 0.221 18302 4550 1 11 . 1 1 44 44 THR C C 44 175.483 175.483 176.016 -0.533 18302 4551 1 11 . 1 1 44 44 THR CA C 44 60.526 60.526 61.517 -0.991 18302 4552 1 11 . 1 1 44 44 THR CB C 44 71.541 71.541 69.926 1.615 18302 4553 1 11 . 1 1 44 44 THR H H 44 8.982 8.982 7.524 1.458 18302 4554 1 11 . 1 1 45 45 GLU N N 45 120.632 120.632 129.233 -8.601 18302 4555 1 11 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.062 -0.112 18302 4556 1 11 . 1 1 45 45 GLU C C 45 179.348 179.348 178.176 1.172 18302 4557 1 11 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.327 -0.327 18302 4558 1 11 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.580 0.153 18302 4559 1 11 . 1 1 45 45 GLU H H 45 8.854 8.854 8.932 -0.078 18302 4560 1 11 . 1 1 46 46 THR N N 46 121.035 121.035 122.500 -1.465 18302 4561 1 11 . 1 1 46 46 THR HA H 46 4.121 4.121 4.267 -0.146 18302 4562 1 11 . 1 1 46 46 THR C C 46 175.463 175.463 177.293 -1.830 18302 4563 1 11 . 1 1 46 46 THR CA C 46 62.324 62.324 65.073 -2.749 18302 4564 1 11 . 1 1 46 46 THR CB C 46 70.088 70.088 67.943 2.145 18302 4565 1 11 . 1 1 46 46 THR H H 46 8.295 8.295 8.396 -0.101 18302 4566 1 11 . 1 1 47 47 GLY N N 47 111.232 111.232 106.742 4.490 18302 4567 1 11 . 1 1 47 47 GLY HA H 47 3.937 3.937 3.960 -0.023 18302 4568 1 11 . 1 1 47 47 GLY C C 47 174.998 174.998 177.342 -2.344 18302 4569 1 11 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.817 -1.896 18302 4570 1 11 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.523 0.297 18302 4571 1 11 . 1 1 47 47 GLY H H 47 8.720 8.720 7.511 1.209 18302 4572 1 11 . 1 1 48 48 ALA N N 48 124.417 124.417 121.954 2.463 18302 4573 1 11 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.966 0.316 18302 4574 1 11 . 1 1 48 48 ALA C C 48 177.866 177.866 179.830 -1.964 18302 4575 1 11 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.574 -1.749 18302 4576 1 11 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.473 0.914 18302 4577 1 11 . 1 1 48 48 ALA H H 48 8.365 8.365 7.527 0.838 18302 4578 1 11 . 1 1 49 49 ALA N N 49 122.129 122.129 119.895 2.234 18302 4579 1 11 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.873 0.373 18302 4580 1 11 . 1 1 49 49 ALA C C 49 178.647 178.647 179.931 -1.284 18302 4581 1 11 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.385 -2.214 18302 4582 1 11 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.561 -2.412 18302 4583 1 11 . 1 1 49 49 ALA H H 49 8.318 8.318 8.602 -0.284 18302 4584 1 11 . 1 1 50 50 LEU N N 50 120.817 120.817 121.219 -0.402 18302 4585 1 11 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.162 -0.037 18302 4586 1 11 . 1 1 50 50 LEU C C 50 177.367 177.367 178.660 -1.293 18302 4587 1 11 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.573 -1.847 18302 4588 1 11 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.381 -0.281 18302 4589 1 11 . 1 1 50 50 LEU H H 50 8.126 8.126 7.757 0.369 18302 4590 1 11 . 1 1 51 51 SER N N 51 116.273 116.273 116.006 0.267 18302 4591 1 11 . 1 1 51 51 SER HA H 51 4.057 4.057 4.087 -0.029 18302 4592 1 11 . 1 1 51 51 SER C C 51 175.939 175.939 177.223 -1.284 18302 4593 1 11 . 1 1 51 51 SER CA C 51 61.429 61.429 62.560 -1.131 18302 4594 1 11 . 1 1 51 51 SER CB C 51 28.648 28.648 32.887 -4.239 18302 4595 1 11 . 1 1 51 51 SER H H 51 7.917 7.917 8.065 -0.148 18302 4596 1 11 . 1 1 52 52 TRP N N 52 123.132 123.132 117.849 5.283 18302 4597 1 11 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.196 0.401 18302 4598 1 11 . 1 1 52 52 TRP C C 52 178.377 178.377 177.688 0.689 18302 4599 1 11 . 1 1 52 52 TRP CA C 52 61.665 61.665 60.566 1.099 18302 4600 1 11 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.317 0.071 18302 4601 1 11 . 1 1 52 52 TRP H H 52 8.732 8.732 8.556 0.176 18302 4602 1 11 . 1 1 53 53 GLN N N 53 117.115 117.115 117.723 -0.608 18302 4603 1 11 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.100 -0.131 18302 4604 1 11 . 1 1 53 53 GLN C C 53 177.779 177.779 178.126 -0.347 18302 4605 1 11 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.259 1.073 18302 4606 1 11 . 1 1 53 53 GLN CB C 53 28.150 28.150 29.011 -0.861 18302 4607 1 11 . 1 1 53 53 GLN H H 53 8.480 8.480 7.723 0.757 18302 4608 1 11 . 1 1 54 54 ALA N N 54 120.557 120.557 122.992 -2.435 18302 4609 1 11 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.120 0.148 18302 4610 1 11 . 1 1 54 54 ALA C C 54 181.023 181.023 179.053 1.970 18302 4611 1 11 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.299 0.341 18302 4612 1 11 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.279 -0.670 18302 4613 1 11 . 1 1 54 54 ALA H H 54 8.003 8.003 7.864 0.139 18302 4614 1 11 . 1 1 55 55 ALA N N 55 122.442 122.442 116.790 5.652 18302 4615 1 11 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.528 -0.411 18302 4616 1 11 . 1 1 55 55 ALA C C 55 179.069 179.069 177.020 2.049 18302 4617 1 11 . 1 1 55 55 ALA CA C 55 55.478 55.478 50.520 4.958 18302 4618 1 11 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.514 -0.279 18302 4619 1 11 . 1 1 55 55 ALA H H 55 8.283 8.283 7.612 0.671 18302 4620 1 11 . 1 1 56 56 ILE N N 56 119.035 119.035 121.793 -2.758 18302 4621 1 11 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.118 -0.307 18302 4622 1 11 . 1 1 56 56 ILE C C 56 177.968 177.968 175.691 2.277 18302 4623 1 11 . 1 1 56 56 ILE CA C 56 65.950 65.950 61.766 4.184 18302 4624 1 11 . 1 1 56 56 ILE CB C 56 38.315 38.315 39.244 -0.929 18302 4625 1 11 . 1 1 56 56 ILE H H 56 8.682 8.682 7.314 1.368 18302 4626 1 11 . 1 1 57 57 ASP N N 57 119.160 119.160 118.440 0.720 18302 4627 1 11 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.618 -0.218 18302 4628 1 11 . 1 1 57 57 ASP C C 57 179.117 179.117 175.617 3.500 18302 4629 1 11 . 1 1 57 57 ASP CA C 57 53.690 53.690 54.399 -0.709 18302 4630 1 11 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.835 -0.195 18302 4631 1 11 . 1 1 57 57 ASP H H 57 8.393 8.393 8.382 0.011 18302 4632 1 11 . 1 1 58 58 ALA N N 58 122.077 122.077 123.439 -1.362 18302 4633 1 11 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.277 0.223 18302 4634 1 11 . 1 1 58 58 ALA C C 58 180.605 180.605 178.617 1.988 18302 4635 1 11 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.856 3.112 18302 4636 1 11 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.295 -0.761 18302 4637 1 11 . 1 1 58 58 ALA H H 58 8.153 8.153 8.263 -0.110 18302 4638 1 11 . 1 1 59 59 ALA N N 59 123.120 123.120 120.581 2.539 18302 4639 1 11 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.878 0.168 18302 4640 1 11 . 1 1 59 59 ALA C C 59 180.385 180.385 177.833 2.552 18302 4641 1 11 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.210 2.719 18302 4642 1 11 . 1 1 59 59 ALA H H 59 8.807 8.807 8.210 0.597 18302 4643 1 11 . 1 1 60 60 ARG N N 60 119.705 119.705 122.487 -2.782 18302 4644 1 11 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.182 -0.194 18302 4645 1 11 . 1 1 60 60 ARG C C 60 179.348 179.348 177.278 2.070 18302 4646 1 11 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.629 2.979 18302 4647 1 11 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.691 -0.396 18302 4648 1 11 . 1 1 60 60 ARG H H 60 8.674 8.674 8.340 0.334 18302 4649 1 11 . 1 1 61 61 GLN N N 61 119.132 119.132 119.976 -0.844 18302 4650 1 11 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.023 0.073 18302 4651 1 11 . 1 1 61 61 GLN C C 61 177.615 177.615 174.261 3.354 18302 4652 1 11 . 1 1 61 61 GLN CA C 61 58.230 58.230 56.536 1.694 18302 4653 1 11 . 1 1 61 61 GLN H H 61 8.053 8.053 9.206 -1.153 18302 4654 1 11 . 1 1 62 62 ALA N N 62 120.910 120.910 118.557 2.353 18302 4655 1 11 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.221 -1.044 18302 4656 1 11 . 1 1 62 62 ALA C C 62 179.311 179.311 176.738 2.573 18302 4657 1 11 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.287 4.660 18302 4658 1 11 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.612 -4.076 18302 4659 1 11 . 1 1 62 62 ALA H H 62 7.920 7.920 7.078 0.842 18302 4660 1 11 . 1 1 63 63 LYS N N 63 117.863 117.863 123.055 -5.192 18302 4661 1 11 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.949 -0.793 18302 4662 1 11 . 1 1 63 63 LYS C C 63 178.324 178.324 176.181 2.143 18302 4663 1 11 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.465 4.422 18302 4664 1 11 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.115 -0.335 18302 4665 1 11 . 1 1 63 63 LYS H H 63 7.680 7.680 8.661 -0.981 18302 4666 1 11 . 1 1 64 64 LEU N N 64 119.697 119.697 128.978 -9.281 18302 4667 1 11 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.740 -0.547 18302 4668 1 11 . 1 1 64 64 LEU C C 64 178.459 178.459 178.355 0.104 18302 4669 1 11 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.121 2.322 18302 4670 1 11 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.496 -1.335 18302 4671 1 11 . 1 1 64 64 LEU H H 64 7.895 7.895 8.124 -0.229 18302 4672 1 11 . 1 1 65 65 MET N N 65 117.184 117.184 119.837 -2.653 18302 4673 1 11 . 1 1 65 65 MET HA H 65 4.472 4.472 4.326 0.146 18302 4674 1 11 . 1 1 65 65 MET C C 65 177.053 177.053 175.910 1.143 18302 4675 1 11 . 1 1 65 65 MET CA C 65 55.889 55.889 60.874 -4.985 18302 4676 1 11 . 1 1 65 65 MET CB C 65 33.010 33.010 30.033 2.977 18302 4677 1 11 . 1 1 65 65 MET H H 65 7.958 7.958 9.279 -1.321 18302 4678 1 11 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.958 -0.108 18302 4679 1 11 . 1 1 66 66 GLY C C 66 174.137 174.137 176.161 -2.024 18302 4680 1 11 . 1 1 66 66 GLY CA C 66 45.590 45.590 48.065 -2.475 18302 4681 1 11 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.042 -0.209 18302 4682 1 11 . 1 1 67 67 SER N N 67 115.622 115.622 114.074 1.548 18302 4683 1 11 . 1 1 67 67 SER HA H 67 4.472 4.472 4.033 0.439 18302 4684 1 11 . 1 1 67 67 SER C C 67 173.300 173.300 176.604 -3.304 18302 4685 1 11 . 1 1 67 67 SER CA C 67 58.182 58.182 61.670 -3.488 18302 4686 1 11 . 1 1 67 67 SER CB C 67 64.389 64.389 62.586 1.804 18302 4687 1 11 . 1 1 67 67 SER H H 67 8.127 8.127 8.384 -0.257 18302 4688 1 11 . 1 1 68 68 ALA N N 68 131.351 131.351 123.123 8.228 18302 4689 1 11 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.925 0.275 18302 4690 1 11 . 1 1 68 68 ALA C C 68 176.792 176.792 177.430 -0.638 18302 4691 1 11 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.150 -1.034 18302 4692 1 11 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.352 0.896 18302 4693 1 11 . 1 1 68 68 ALA H H 68 7.984 7.984 7.629 0.355 18302 4694 1 11 . 1 1 69 69 LEU N N 69 119.986 119.986 119.230 0.756 18302 4695 1 11 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.773 -0.423 18302 4696 1 11 . 1 1 69 69 LEU C C 69 178.468 178.468 178.380 0.088 18302 4697 1 11 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.844 0.075 18302 4698 1 11 . 1 1 69 69 LEU CB C 69 41.000 41.000 40.676 0.324 18302 4699 1 11 . 1 1 69 69 LEU H H 69 9.062 9.062 7.322 1.740 18302 4700 1 11 . 1 1 70 70 THR N N 70 114.834 114.834 114.822 0.012 18302 4701 1 11 . 1 1 70 70 THR HA H 70 4.100 4.100 4.073 0.027 18302 4702 1 11 . 1 1 70 70 THR C C 70 176.391 176.391 176.819 -0.428 18302 4703 1 11 . 1 1 70 70 THR CA C 70 61.833 61.833 65.867 -4.034 18302 4704 1 11 . 1 1 70 70 THR CB C 70 68.267 68.267 69.211 -0.944 18302 4705 1 11 . 1 1 70 70 THR H H 70 7.710 7.710 7.945 -0.235 18302 4706 1 11 . 1 1 71 71 MET N N 71 120.233 120.233 121.709 -1.476 18302 4707 1 11 . 1 1 71 71 MET HA H 71 3.850 3.850 3.996 -0.146 18302 4708 1 11 . 1 1 71 71 MET C C 71 178.145 178.145 177.949 0.196 18302 4709 1 11 . 1 1 71 71 MET CA C 71 58.768 58.768 58.524 0.244 18302 4710 1 11 . 1 1 71 71 MET CB C 71 31.233 31.233 32.170 -0.938 18302 4711 1 11 . 1 1 71 71 MET H H 71 7.034 7.034 8.196 -1.162 18302 4712 1 11 . 1 1 72 72 MET N N 72 118.621 118.621 116.112 2.509 18302 4713 1 11 . 1 1 72 72 MET HA H 72 3.800 3.800 4.352 -0.552 18302 4714 1 11 . 1 1 72 72 MET C C 72 178.930 178.930 176.839 2.091 18302 4715 1 11 . 1 1 72 72 MET CA C 72 56.500 56.500 56.827 -0.327 18302 4716 1 11 . 1 1 72 72 MET CB C 72 32.733 32.733 32.380 0.353 18302 4717 1 11 . 1 1 72 72 MET H H 72 7.839 7.839 7.480 0.359 18302 4718 1 11 . 1 1 73 73 ALA N N 73 120.567 120.567 121.593 -1.026 18302 4719 1 11 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.450 -0.315 18302 4720 1 11 . 1 1 73 73 ALA C C 73 179.332 179.332 177.628 1.704 18302 4721 1 11 . 1 1 73 73 ALA CA C 73 54.080 54.080 51.827 2.253 18302 4722 1 11 . 1 1 73 73 ALA CB C 73 18.453 18.453 17.888 0.565 18302 4723 1 11 . 1 1 73 73 ALA H H 73 8.240 8.240 8.145 0.095 18302 4724 1 11 . 1 1 74 74 ARG N N 74 116.784 116.784 118.371 -1.587 18302 4725 1 11 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.311 -0.174 18302 4726 1 11 . 1 1 74 74 ARG C C 74 177.511 177.511 177.413 0.098 18302 4727 1 11 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.283 1.313 18302 4728 1 11 . 1 1 74 74 ARG CB C 74 30.406 30.406 29.904 0.502 18302 4729 1 11 . 1 1 74 74 ARG H H 74 7.382 7.382 8.141 -0.759 18302 4730 1 11 . 1 1 75 75 LYS N N 75 118.548 118.548 120.799 -2.251 18302 4731 1 11 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.042 0.264 18302 4732 1 11 . 1 1 75 75 LYS C C 75 176.937 176.937 176.756 0.181 18302 4733 1 11 . 1 1 75 75 LYS CA C 75 55.000 55.000 57.682 -2.682 18302 4734 1 11 . 1 1 75 75 LYS CB C 75 32.750 32.750 32.611 0.139 18302 4735 1 11 . 1 1 75 75 LYS H H 75 7.732 7.732 7.891 -0.159 18302 4736 1 11 . 1 1 76 76 MET N N 76 120.367 120.367 117.417 2.950 18302 4737 1 11 . 1 1 76 76 MET HA H 76 4.443 4.443 4.245 0.198 18302 4738 1 11 . 1 1 76 76 MET C C 76 175.539 175.539 175.805 -0.266 18302 4739 1 11 . 1 1 76 76 MET CA C 76 55.500 55.500 55.529 -0.029 18302 4740 1 11 . 1 1 76 76 MET CB C 76 32.733 32.733 31.683 1.050 18302 4741 1 11 . 1 1 76 76 MET H H 76 7.863 7.863 8.230 -0.367 18302 4742 1 12 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.667 -0.051 18302 4743 1 12 . 1 1 2 2 ASP C C 2 175.975 175.975 176.265 -0.290 18302 4744 1 12 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.392 0.273 18302 4745 1 12 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.085 0.103 18302 4746 1 12 . 1 1 3 3 GLN N N 3 119.995 119.995 119.008 0.987 18302 4747 1 12 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.346 0.037 18302 4748 1 12 . 1 1 3 3 GLN C C 3 175.927 175.927 176.005 -0.078 18302 4749 1 12 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.235 -2.582 18302 4750 1 12 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.736 -0.502 18302 4751 1 12 . 1 1 3 3 GLN H H 3 8.414 8.414 7.585 0.829 18302 4752 1 12 . 1 1 4 4 LEU N N 4 123.586 123.586 122.435 1.151 18302 4753 1 12 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.261 0.409 18302 4754 1 12 . 1 1 4 4 LEU C C 4 177.983 177.983 176.930 1.053 18302 4755 1 12 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.196 -1.530 18302 4756 1 12 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.742 0.790 18302 4757 1 12 . 1 1 4 4 LEU H H 4 8.352 8.352 8.399 -0.047 18302 4758 1 12 . 1 1 5 5 THR N N 5 113.292 113.292 112.622 0.670 18302 4759 1 12 . 1 1 5 5 THR HA H 5 4.470 4.470 4.322 0.148 18302 4760 1 12 . 1 1 5 5 THR C C 5 175.729 175.729 174.386 1.343 18302 4761 1 12 . 1 1 5 5 THR CA C 5 60.526 60.526 61.715 -1.189 18302 4762 1 12 . 1 1 5 5 THR CB C 5 71.541 71.541 69.856 1.685 18302 4763 1 12 . 1 1 5 5 THR H H 5 8.735 8.735 7.935 0.800 18302 4764 1 12 . 1 1 6 6 GLU N N 6 120.507 120.507 121.872 -1.365 18302 4765 1 12 . 1 1 6 6 GLU HA H 6 3.991 3.991 4.072 -0.081 18302 4766 1 12 . 1 1 6 6 GLU C C 6 179.816 179.816 177.661 2.155 18302 4767 1 12 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.176 -0.236 18302 4768 1 12 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.739 -0.505 18302 4769 1 12 . 1 1 6 6 GLU H H 6 9.060 9.060 8.779 0.281 18302 4770 1 12 . 1 1 7 7 GLU N N 7 120.000 120.000 119.522 0.478 18302 4771 1 12 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.859 0.226 18302 4772 1 12 . 1 1 7 7 GLU C C 7 179.588 179.588 178.739 0.849 18302 4773 1 12 . 1 1 7 7 GLU CA C 7 59.940 59.940 60.104 -0.164 18302 4774 1 12 . 1 1 7 7 GLU CB C 7 28.833 28.833 29.382 -0.549 18302 4775 1 12 . 1 1 7 7 GLU H H 7 8.770 8.770 8.322 0.448 18302 4776 1 12 . 1 1 8 8 GLN N N 8 120.798 120.798 118.184 2.614 18302 4777 1 12 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.108 -0.278 18302 4778 1 12 . 1 1 8 8 GLN C C 8 178.179 178.179 178.375 -0.196 18302 4779 1 12 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.847 -0.527 18302 4780 1 12 . 1 1 8 8 GLN CB C 8 29.233 29.233 27.971 1.262 18302 4781 1 12 . 1 1 8 8 GLN H H 8 7.755 7.755 8.450 -0.695 18302 4782 1 12 . 1 1 9 9 ILE N N 9 119.028 119.028 116.613 2.415 18302 4783 1 12 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.941 -0.341 18302 4784 1 12 . 1 1 9 9 ILE C C 9 178.147 178.147 177.850 0.297 18302 4785 1 12 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.871 1.749 18302 4786 1 12 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.368 0.284 18302 4787 1 12 . 1 1 9 9 ILE H H 9 8.253 8.253 7.441 0.812 18302 4788 1 12 . 1 1 10 10 ALA N N 10 120.587 120.587 122.779 -2.192 18302 4789 1 12 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.865 0.275 18302 4790 1 12 . 1 1 10 10 ALA C C 10 181.279 181.279 179.399 1.880 18302 4791 1 12 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.208 0.044 18302 4792 1 12 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.878 -0.378 18302 4793 1 12 . 1 1 10 10 ALA H H 10 8.051 8.051 7.962 0.089 18302 4794 1 12 . 1 1 11 11 GLU N N 11 120.436 120.436 120.002 0.434 18302 4795 1 12 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.004 0.191 18302 4796 1 12 . 1 1 11 11 GLU C C 11 180.542 180.542 178.482 2.060 18302 4797 1 12 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.419 -0.065 18302 4798 1 12 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.500 -0.266 18302 4799 1 12 . 1 1 11 11 GLU H H 11 7.795 7.795 8.609 -0.814 18302 4800 1 12 . 1 1 12 12 PHE N N 12 120.654 120.654 119.687 0.967 18302 4801 1 12 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.396 0.654 18302 4802 1 12 . 1 1 12 12 PHE C C 12 179.155 179.155 177.197 1.958 18302 4803 1 12 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.342 -1.582 18302 4804 1 12 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.867 -1.867 18302 4805 1 12 . 1 1 12 12 PHE H H 12 8.541 8.541 8.226 0.315 18302 4806 1 12 . 1 1 13 13 LYS N N 13 123.600 123.600 120.099 3.501 18302 4807 1 12 . 1 1 13 13 LYS HA H 13 3.993 3.993 2.847 1.146 18302 4808 1 12 . 1 1 13 13 LYS C C 13 179.523 179.523 178.509 1.014 18302 4809 1 12 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.384 0.556 18302 4810 1 12 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.740 -0.007 18302 4811 1 12 . 1 1 13 13 LYS H H 13 9.279 9.279 7.220 2.059 18302 4812 1 12 . 1 1 14 14 GLU N N 14 121.150 121.150 118.321 2.829 18302 4813 1 12 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.885 0.236 18302 4814 1 12 . 1 1 14 14 GLU C C 14 179.859 179.859 178.788 1.071 18302 4815 1 12 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.077 0.277 18302 4816 1 12 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.115 0.618 18302 4817 1 12 . 1 1 14 14 GLU H H 14 8.036 8.036 8.039 -0.003 18302 4818 1 12 . 1 1 15 15 ALA N N 15 122.010 122.010 121.851 0.159 18302 4819 1 12 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.872 0.477 18302 4820 1 12 . 1 1 15 15 ALA C C 15 178.785 178.785 179.472 -0.687 18302 4821 1 12 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.874 0.378 18302 4822 1 12 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.352 -0.352 18302 4823 1 12 . 1 1 15 15 ALA H H 15 8.034 8.034 7.848 0.186 18302 4824 1 12 . 1 1 16 16 PHE N N 16 119.032 119.032 119.161 -0.129 18302 4825 1 12 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.833 -0.533 18302 4826 1 12 . 1 1 16 16 PHE C C 16 178.534 178.534 177.064 1.470 18302 4827 1 12 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.829 2.171 18302 4828 1 12 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.357 1.643 18302 4829 1 12 . 1 1 16 16 PHE H H 16 8.633 8.633 8.481 0.152 18302 4830 1 12 . 1 1 17 17 SER N N 17 113.786 113.786 114.716 -0.930 18302 4831 1 12 . 1 1 17 17 SER HA H 17 4.100 4.100 3.141 0.959 18302 4832 1 12 . 1 1 17 17 SER C C 17 174.639 174.639 176.069 -1.430 18302 4833 1 12 . 1 1 17 17 SER CA C 17 61.500 61.500 60.910 0.590 18302 4834 1 12 . 1 1 17 17 SER CB C 17 63.500 63.500 62.685 0.815 18302 4835 1 12 . 1 1 17 17 SER H H 17 8.215 8.215 7.790 0.425 18302 4836 1 12 . 1 1 18 18 LEU N N 18 120.113 120.113 119.250 0.863 18302 4837 1 12 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.762 0.118 18302 4838 1 12 . 1 1 18 18 LEU C C 18 177.151 177.151 178.791 -1.640 18302 4839 1 12 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.358 -0.858 18302 4840 1 12 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.658 -0.158 18302 4841 1 12 . 1 1 18 18 LEU H H 18 7.417 7.417 7.206 0.211 18302 4842 1 12 . 1 1 19 19 PHE N N 19 112.070 112.070 117.306 -5.236 18302 4843 1 12 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.203 0.197 18302 4844 1 12 . 1 1 19 19 PHE C C 19 175.699 175.699 177.114 -1.415 18302 4845 1 12 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.510 -1.110 18302 4846 1 12 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.874 3.026 18302 4847 1 12 . 1 1 19 19 PHE H H 19 7.043 7.043 7.269 -0.226 18302 4848 1 12 . 1 1 20 20 ASP N N 20 116.223 116.223 118.862 -2.639 18302 4849 1 12 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.767 -0.167 18302 4850 1 12 . 1 1 20 20 ASP C C 20 177.625 177.625 177.817 -0.192 18302 4851 1 12 . 1 1 20 20 ASP CA C 20 52.322 52.322 53.912 -1.590 18302 4852 1 12 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.302 0.128 18302 4853 1 12 . 1 1 20 20 ASP H H 20 7.484 7.484 7.964 -0.480 18302 4854 1 12 . 1 1 21 21 LYS N N 21 124.544 124.544 123.766 0.778 18302 4855 1 12 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.954 0.046 18302 4856 1 12 . 1 1 21 21 LYS C C 21 178.513 178.513 178.013 0.500 18302 4857 1 12 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.425 -0.725 18302 4858 1 12 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.979 2.221 18302 4859 1 12 . 1 1 21 21 LYS H H 21 7.601 7.601 8.777 -1.176 18302 4860 1 12 . 1 1 22 22 ASP N N 22 114.320 114.320 116.869 -2.549 18302 4861 1 12 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.479 0.155 18302 4862 1 12 . 1 1 22 22 ASP C C 22 178.039 178.039 177.274 0.765 18302 4863 1 12 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.946 -2.038 18302 4864 1 12 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.556 -0.540 18302 4865 1 12 . 1 1 22 22 ASP H H 22 8.241 8.241 8.535 -0.294 18302 4866 1 12 . 1 1 23 23 GLY N N 23 109.478 109.478 108.291 1.187 18302 4867 1 12 . 1 1 23 23 GLY C C 23 175.427 175.427 174.753 0.674 18302 4868 1 12 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.082 0.966 18302 4869 1 12 . 1 1 23 23 GLY H H 23 7.680 7.680 7.964 -0.284 18302 4870 1 12 . 1 1 24 24 ASP N N 24 121.007 121.007 120.109 0.898 18302 4871 1 12 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.575 -0.075 18302 4872 1 12 . 1 1 24 24 ASP C C 24 177.660 177.660 177.749 -0.089 18302 4873 1 12 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.230 0.850 18302 4874 1 12 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.421 -0.819 18302 4875 1 12 . 1 1 24 24 ASP H H 24 8.523 8.523 8.152 0.371 18302 4876 1 12 . 1 1 25 25 GLY N N 25 112.961 112.961 109.196 3.765 18302 4877 1 12 . 1 1 25 25 GLY C C 25 174.198 174.198 173.729 0.469 18302 4878 1 12 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.457 -0.167 18302 4879 1 12 . 1 1 25 25 GLY H H 25 10.539 10.539 9.327 1.212 18302 4880 1 12 . 1 1 26 26 THR N N 26 112.593 112.593 110.898 1.695 18302 4881 1 12 . 1 1 26 26 THR HA H 26 5.560 5.560 5.359 0.201 18302 4882 1 12 . 1 1 26 26 THR C C 26 173.991 173.991 173.016 0.975 18302 4883 1 12 . 1 1 26 26 THR CA C 26 59.500 59.500 59.950 -0.450 18302 4884 1 12 . 1 1 26 26 THR CB C 26 73.299 73.299 72.671 0.629 18302 4885 1 12 . 1 1 26 26 THR H H 26 8.304 8.304 8.788 -0.484 18302 4886 1 12 . 1 1 27 27 ILE N N 27 126.868 126.868 121.543 5.325 18302 4887 1 12 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.963 -0.213 18302 4888 1 12 . 1 1 27 27 ILE C C 27 176.338 176.338 175.770 0.568 18302 4889 1 12 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.151 0.961 18302 4890 1 12 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.522 -0.522 18302 4891 1 12 . 1 1 27 27 ILE H H 27 9.988 9.988 8.332 1.656 18302 4892 1 12 . 1 1 28 28 THR N N 28 116.237 116.237 122.178 -5.941 18302 4893 1 12 . 1 1 28 28 THR HA H 28 4.850 4.850 5.053 -0.203 18302 4894 1 12 . 1 1 28 28 THR C C 28 176.422 176.422 176.383 0.039 18302 4895 1 12 . 1 1 28 28 THR CA C 28 59.000 59.000 60.649 -1.649 18302 4896 1 12 . 1 1 28 28 THR CB C 28 72.713 72.713 71.744 0.969 18302 4897 1 12 . 1 1 28 28 THR H H 28 8.233 8.233 9.313 -1.080 18302 4898 1 12 . 1 1 29 29 THR N N 29 114.660 114.660 116.830 -2.170 18302 4899 1 12 . 1 1 29 29 THR HA H 29 3.800 3.800 3.944 -0.144 18302 4900 1 12 . 1 1 29 29 THR C C 29 177.772 177.772 176.245 1.527 18302 4901 1 12 . 1 1 29 29 THR CA C 29 66.767 66.767 66.495 0.272 18302 4902 1 12 . 1 1 29 29 THR CB C 29 68.611 68.611 68.487 0.124 18302 4903 1 12 . 1 1 29 29 THR H H 29 9.316 9.316 9.112 0.204 18302 4904 1 12 . 1 1 30 30 LYS N N 30 121.300 121.300 122.394 -1.094 18302 4905 1 12 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.009 0.119 18302 4906 1 12 . 1 1 30 30 LYS C C 30 180.194 180.194 179.027 1.167 18302 4907 1 12 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.133 -0.779 18302 4908 1 12 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.736 0.428 18302 4909 1 12 . 1 1 30 30 LYS H H 30 7.900 7.900 8.455 -0.555 18302 4910 1 12 . 1 1 31 31 GLU N N 31 122.184 122.184 119.996 2.188 18302 4911 1 12 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.036 -0.036 18302 4912 1 12 . 1 1 31 31 GLU C C 31 178.964 178.964 179.047 -0.083 18302 4913 1 12 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.538 0.402 18302 4914 1 12 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.380 0.440 18302 4915 1 12 . 1 1 31 31 GLU H H 31 7.900 7.900 8.167 -0.267 18302 4916 1 12 . 1 1 32 32 LEU N N 32 120.000 120.000 120.010 -0.010 18302 4917 1 12 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.208 -0.058 18302 4918 1 12 . 1 1 32 32 LEU C C 32 179.190 179.190 178.832 0.358 18302 4919 1 12 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.173 0.009 18302 4920 1 12 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.842 0.518 18302 4921 1 12 . 1 1 32 32 LEU H H 32 8.600 8.600 8.312 0.288 18302 4922 1 12 . 1 1 33 33 GLY N N 33 105.412 105.412 106.605 -1.193 18302 4923 1 12 . 1 1 33 33 GLY C C 33 175.371 175.371 175.796 -0.425 18302 4924 1 12 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.799 1.007 18302 4925 1 12 . 1 1 33 33 GLY H H 33 8.730 8.730 8.695 0.035 18302 4926 1 12 . 1 1 34 34 THR N N 34 118.762 118.762 119.323 -0.561 18302 4927 1 12 . 1 1 34 34 THR HA H 34 3.950 3.950 3.985 -0.035 18302 4928 1 12 . 1 1 34 34 THR C C 34 177.681 177.681 176.484 1.197 18302 4929 1 12 . 1 1 34 34 THR CA C 34 66.767 66.767 67.858 -1.091 18302 4930 1 12 . 1 1 34 34 THR CB C 34 69.197 69.197 68.564 0.633 18302 4931 1 12 . 1 1 34 34 THR H H 34 8.104 8.104 8.168 -0.064 18302 4932 1 12 . 1 1 35 35 VAL N N 35 122.943 122.943 121.716 1.227 18302 4933 1 12 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.710 -0.040 18302 4934 1 12 . 1 1 35 35 VAL C C 35 179.691 179.691 178.126 1.565 18302 4935 1 12 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.649 -0.082 18302 4936 1 12 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.346 0.486 18302 4937 1 12 . 1 1 35 35 VAL H H 35 8.230 8.230 7.671 0.559 18302 4938 1 12 . 1 1 36 36 MET N N 36 118.074 118.074 117.590 0.484 18302 4939 1 12 . 1 1 36 36 MET HA H 36 4.124 4.124 4.218 -0.094 18302 4940 1 12 . 1 1 36 36 MET C C 36 179.518 179.518 178.605 0.913 18302 4941 1 12 . 1 1 36 36 MET CA C 36 58.400 58.400 57.774 0.626 18302 4942 1 12 . 1 1 36 36 MET CB C 36 31.233 31.233 31.384 -0.151 18302 4943 1 12 . 1 1 36 36 MET H H 36 8.746 8.746 8.465 0.281 18302 4944 1 12 . 1 1 37 37 ARG N N 37 118.931 118.931 120.717 -1.786 18302 4945 1 12 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.125 0.725 18302 4946 1 12 . 1 1 37 37 ARG C C 37 181.608 181.608 179.348 2.260 18302 4947 1 12 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.456 -0.102 18302 4948 1 12 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.302 -0.482 18302 4949 1 12 . 1 1 37 37 ARG H H 37 8.559 8.559 8.557 0.002 18302 4950 1 12 . 1 1 38 38 SER N N 38 119.164 119.164 116.572 2.592 18302 4951 1 12 . 1 1 38 38 SER HA H 38 4.445 4.445 4.259 0.186 18302 4952 1 12 . 1 1 38 38 SER C C 38 175.212 175.212 175.681 -0.469 18302 4953 1 12 . 1 1 38 38 SER CA C 38 61.698 61.698 61.103 0.595 18302 4954 1 12 . 1 1 38 38 SER CB C 38 62.733 62.733 62.845 -0.112 18302 4955 1 12 . 1 1 38 38 SER H H 38 8.075 8.075 8.475 -0.400 18302 4956 1 12 . 1 1 39 39 LEU N N 39 120.667 120.667 119.869 0.798 18302 4957 1 12 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.394 -0.164 18302 4958 1 12 . 1 1 39 39 LEU C C 39 177.740 177.740 177.265 0.475 18302 4959 1 12 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.055 -0.752 18302 4960 1 12 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.287 -0.513 18302 4961 1 12 . 1 1 39 39 LEU H H 39 7.419 7.419 7.229 0.190 18302 4962 1 12 . 1 1 40 40 GLY N N 40 107.175 107.175 106.331 0.844 18302 4963 1 12 . 1 1 40 40 GLY C C 40 174.723 174.723 174.266 0.457 18302 4964 1 12 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.561 0.939 18302 4965 1 12 . 1 1 40 40 GLY H H 40 7.900 7.900 8.235 -0.335 18302 4966 1 12 . 1 1 41 41 GLN N N 41 117.918 117.918 120.361 -2.443 18302 4967 1 12 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.323 -0.193 18302 4968 1 12 . 1 1 41 41 GLN C C 41 174.428 174.428 176.378 -1.950 18302 4969 1 12 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.458 0.542 18302 4970 1 12 . 1 1 41 41 GLN CB C 41 29.820 29.820 28.878 0.942 18302 4971 1 12 . 1 1 41 41 GLN H H 41 7.746 7.746 7.705 0.041 18302 4972 1 12 . 1 1 42 42 ASN N N 42 119.000 119.000 125.193 -6.193 18302 4973 1 12 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.568 0.032 18302 4974 1 12 . 1 1 42 42 ASN H H 42 8.250 8.250 8.644 -0.394 18302 4975 1 12 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.308 0.892 18302 4976 1 12 . 1 1 43 43 PRO C C 43 177.909 177.909 176.066 1.843 18302 4977 1 12 . 1 1 43 43 PRO CA C 43 62.284 62.284 64.511 -2.227 18302 4978 1 12 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.586 0.147 18302 4979 1 12 . 1 1 44 44 THR N N 44 113.390 113.390 118.144 -4.754 18302 4980 1 12 . 1 1 44 44 THR HA H 44 4.450 4.450 4.429 0.021 18302 4981 1 12 . 1 1 44 44 THR C C 44 175.483 175.483 175.249 0.234 18302 4982 1 12 . 1 1 44 44 THR CA C 44 60.526 60.526 62.461 -1.935 18302 4983 1 12 . 1 1 44 44 THR CB C 44 71.541 71.541 68.946 2.595 18302 4984 1 12 . 1 1 44 44 THR H H 44 8.982 8.982 8.558 0.424 18302 4985 1 12 . 1 1 45 45 GLU N N 45 120.632 120.632 122.330 -1.698 18302 4986 1 12 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.948 0.002 18302 4987 1 12 . 1 1 45 45 GLU C C 45 179.348 179.348 177.286 2.062 18302 4988 1 12 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.167 -0.167 18302 4989 1 12 . 1 1 45 45 GLU CB C 45 29.733 29.733 28.729 1.004 18302 4990 1 12 . 1 1 45 45 GLU H H 45 8.854 8.854 8.834 0.020 18302 4991 1 12 . 1 1 46 46 THR N N 46 121.035 121.035 122.050 -1.015 18302 4992 1 12 . 1 1 46 46 THR HA H 46 4.121 4.121 4.539 -0.418 18302 4993 1 12 . 1 1 46 46 THR C C 46 175.463 175.463 176.894 -1.431 18302 4994 1 12 . 1 1 46 46 THR CA C 46 62.324 62.324 64.402 -2.078 18302 4995 1 12 . 1 1 46 46 THR CB C 46 70.088 70.088 68.244 1.844 18302 4996 1 12 . 1 1 46 46 THR H H 46 8.295 8.295 8.282 0.013 18302 4997 1 12 . 1 1 47 47 GLY N N 47 111.232 111.232 108.829 2.403 18302 4998 1 12 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.080 -0.143 18302 4999 1 12 . 1 1 47 47 GLY C C 47 174.998 174.998 177.325 -2.327 18302 5000 1 12 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.868 -1.947 18302 5001 1 12 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.426 0.394 18302 5002 1 12 . 1 1 47 47 GLY H H 47 8.720 8.720 7.656 1.064 18302 5003 1 12 . 1 1 48 48 ALA N N 48 124.417 124.417 121.324 3.093 18302 5004 1 12 . 1 1 48 48 ALA HA H 48 4.282 4.282 4.008 0.274 18302 5005 1 12 . 1 1 48 48 ALA C C 48 177.866 177.866 179.847 -1.981 18302 5006 1 12 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.133 -1.308 18302 5007 1 12 . 1 1 48 48 ALA CB C 48 19.387 19.387 17.894 1.493 18302 5008 1 12 . 1 1 48 48 ALA H H 48 8.365 8.365 7.673 0.692 18302 5009 1 12 . 1 1 49 49 ALA N N 49 122.129 122.129 121.578 0.551 18302 5010 1 12 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.843 0.403 18302 5011 1 12 . 1 1 49 49 ALA C C 49 178.647 178.647 180.185 -1.538 18302 5012 1 12 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.524 -2.353 18302 5013 1 12 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.538 -2.389 18302 5014 1 12 . 1 1 49 49 ALA H H 49 8.318 8.318 7.805 0.513 18302 5015 1 12 . 1 1 50 50 LEU N N 50 120.817 120.817 120.358 0.459 18302 5016 1 12 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.153 -0.028 18302 5017 1 12 . 1 1 50 50 LEU C C 50 177.367 177.367 178.772 -1.405 18302 5018 1 12 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.884 -2.158 18302 5019 1 12 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.061 0.039 18302 5020 1 12 . 1 1 50 50 LEU H H 50 8.126 8.126 7.952 0.174 18302 5021 1 12 . 1 1 51 51 SER N N 51 116.273 116.273 114.368 1.905 18302 5022 1 12 . 1 1 51 51 SER HA H 51 4.057 4.057 4.140 -0.083 18302 5023 1 12 . 1 1 51 51 SER C C 51 175.939 175.939 177.101 -1.162 18302 5024 1 12 . 1 1 51 51 SER CA C 51 61.429 61.429 60.966 0.463 18302 5025 1 12 . 1 1 51 51 SER CB C 51 28.648 28.648 32.357 -3.709 18302 5026 1 12 . 1 1 51 51 SER H H 51 7.917 7.917 7.291 0.626 18302 5027 1 12 . 1 1 52 52 TRP N N 52 123.132 123.132 120.059 3.073 18302 5028 1 12 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.130 0.467 18302 5029 1 12 . 1 1 52 52 TRP C C 52 178.377 178.377 177.708 0.669 18302 5030 1 12 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.157 0.508 18302 5031 1 12 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.193 0.195 18302 5032 1 12 . 1 1 52 52 TRP H H 52 8.732 8.732 8.552 0.180 18302 5033 1 12 . 1 1 53 53 GLN N N 53 117.115 117.115 115.762 1.353 18302 5034 1 12 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.023 -0.054 18302 5035 1 12 . 1 1 53 53 GLN C C 53 177.779 177.779 176.572 1.207 18302 5036 1 12 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.339 0.994 18302 5037 1 12 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.824 -0.674 18302 5038 1 12 . 1 1 53 53 GLN H H 53 8.480 8.480 7.783 0.697 18302 5039 1 12 . 1 1 54 54 ALA N N 54 120.557 120.557 121.081 -0.524 18302 5040 1 12 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.270 -0.002 18302 5041 1 12 . 1 1 54 54 ALA C C 54 181.023 181.023 179.515 1.508 18302 5042 1 12 . 1 1 54 54 ALA CA C 54 54.640 54.640 53.891 0.749 18302 5043 1 12 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.865 -1.256 18302 5044 1 12 . 1 1 54 54 ALA H H 54 8.003 8.003 7.428 0.575 18302 5045 1 12 . 1 1 55 55 ALA N N 55 122.442 122.442 118.252 4.190 18302 5046 1 12 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.209 -0.092 18302 5047 1 12 . 1 1 55 55 ALA C C 55 179.069 179.069 176.161 2.908 18302 5048 1 12 . 1 1 55 55 ALA CA C 55 55.478 55.478 51.832 3.646 18302 5049 1 12 . 1 1 55 55 ALA CB C 55 18.235 18.235 17.129 1.106 18302 5050 1 12 . 1 1 55 55 ALA H H 55 8.283 8.283 7.722 0.561 18302 5051 1 12 . 1 1 56 56 ILE N N 56 119.035 119.035 121.181 -2.146 18302 5052 1 12 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.227 -0.416 18302 5053 1 12 . 1 1 56 56 ILE C C 56 177.968 177.968 176.084 1.884 18302 5054 1 12 . 1 1 56 56 ILE CA C 56 65.950 65.950 60.609 5.341 18302 5055 1 12 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.944 -0.629 18302 5056 1 12 . 1 1 56 56 ILE H H 56 8.682 8.682 7.447 1.235 18302 5057 1 12 . 1 1 57 57 ASP N N 57 119.160 119.160 126.795 -7.635 18302 5058 1 12 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.406 -0.006 18302 5059 1 12 . 1 1 57 57 ASP C C 57 179.117 179.117 177.100 2.017 18302 5060 1 12 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.348 -2.658 18302 5061 1 12 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.817 -0.177 18302 5062 1 12 . 1 1 57 57 ASP H H 57 8.393 8.393 8.736 -0.343 18302 5063 1 12 . 1 1 58 58 ALA N N 58 122.077 122.077 120.367 1.710 18302 5064 1 12 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.366 0.134 18302 5065 1 12 . 1 1 58 58 ALA C C 58 180.605 180.605 177.999 2.606 18302 5066 1 12 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.282 3.686 18302 5067 1 12 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.407 -0.873 18302 5068 1 12 . 1 1 58 58 ALA H H 58 8.153 8.153 8.256 -0.103 18302 5069 1 12 . 1 1 59 59 ALA N N 59 123.120 123.120 121.215 1.905 18302 5070 1 12 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.893 0.153 18302 5071 1 12 . 1 1 59 59 ALA C C 59 180.385 180.385 178.072 2.313 18302 5072 1 12 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.360 2.569 18302 5073 1 12 . 1 1 59 59 ALA H H 59 8.807 8.807 7.800 1.007 18302 5074 1 12 . 1 1 60 60 ARG N N 60 119.705 119.705 121.305 -1.600 18302 5075 1 12 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.204 -0.216 18302 5076 1 12 . 1 1 60 60 ARG C C 60 179.348 179.348 177.216 2.132 18302 5077 1 12 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.695 2.913 18302 5078 1 12 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.797 -0.503 18302 5079 1 12 . 1 1 60 60 ARG H H 60 8.674 8.674 8.191 0.483 18302 5080 1 12 . 1 1 61 61 GLN N N 61 119.132 119.132 119.657 -0.525 18302 5081 1 12 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.998 0.098 18302 5082 1 12 . 1 1 61 61 GLN C C 61 177.615 177.615 174.367 3.248 18302 5083 1 12 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.797 2.433 18302 5084 1 12 . 1 1 61 61 GLN H H 61 8.053 8.053 9.298 -1.245 18302 5085 1 12 . 1 1 62 62 ALA N N 62 120.910 120.910 119.390 1.520 18302 5086 1 12 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.386 -1.209 18302 5087 1 12 . 1 1 62 62 ALA C C 62 179.311 179.311 175.702 3.609 18302 5088 1 12 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.785 4.162 18302 5089 1 12 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.119 -3.583 18302 5090 1 12 . 1 1 62 62 ALA H H 62 7.920 7.920 7.209 0.711 18302 5091 1 12 . 1 1 63 63 LYS N N 63 117.863 117.863 122.382 -4.519 18302 5092 1 12 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.651 -0.495 18302 5093 1 12 . 1 1 63 63 LYS C C 63 178.324 178.324 176.080 2.244 18302 5094 1 12 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.396 4.491 18302 5095 1 12 . 1 1 63 63 LYS CB C 63 31.780 31.780 33.698 -1.918 18302 5096 1 12 . 1 1 63 63 LYS H H 63 7.680 7.680 8.340 -0.660 18302 5097 1 12 . 1 1 64 64 LEU N N 64 119.697 119.697 127.377 -7.680 18302 5098 1 12 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.632 -0.439 18302 5099 1 12 . 1 1 64 64 LEU C C 64 178.459 178.459 178.073 0.386 18302 5100 1 12 . 1 1 64 64 LEU CA C 64 56.443 56.443 53.684 2.760 18302 5101 1 12 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.206 -1.045 18302 5102 1 12 . 1 1 64 64 LEU H H 64 7.895 7.895 8.370 -0.475 18302 5103 1 12 . 1 1 65 65 MET N N 65 117.184 117.184 118.802 -1.618 18302 5104 1 12 . 1 1 65 65 MET HA H 65 4.472 4.472 4.272 0.200 18302 5105 1 12 . 1 1 65 65 MET C C 65 177.053 177.053 175.982 1.071 18302 5106 1 12 . 1 1 65 65 MET CA C 65 55.889 55.889 60.506 -4.617 18302 5107 1 12 . 1 1 65 65 MET CB C 65 33.010 33.010 29.924 3.086 18302 5108 1 12 . 1 1 65 65 MET H H 65 7.958 7.958 9.269 -1.311 18302 5109 1 12 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.984 -0.134 18302 5110 1 12 . 1 1 66 66 GLY C C 66 174.137 174.137 176.325 -2.188 18302 5111 1 12 . 1 1 66 66 GLY CA C 66 45.590 45.590 48.242 -2.652 18302 5112 1 12 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.106 -0.273 18302 5113 1 12 . 1 1 67 67 SER N N 67 115.622 115.622 114.332 1.290 18302 5114 1 12 . 1 1 67 67 SER HA H 67 4.472 4.472 4.052 0.420 18302 5115 1 12 . 1 1 67 67 SER C C 67 173.300 173.300 176.880 -3.580 18302 5116 1 12 . 1 1 67 67 SER CA C 67 58.182 58.182 61.185 -3.003 18302 5117 1 12 . 1 1 67 67 SER CB C 67 64.389 64.389 62.429 1.960 18302 5118 1 12 . 1 1 67 67 SER H H 67 8.127 8.127 7.709 0.418 18302 5119 1 12 . 1 1 68 68 ALA N N 68 131.351 131.351 123.741 7.610 18302 5120 1 12 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.947 0.253 18302 5121 1 12 . 1 1 68 68 ALA C C 68 176.792 176.792 177.301 -0.509 18302 5122 1 12 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.063 -0.947 18302 5123 1 12 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.250 0.997 18302 5124 1 12 . 1 1 68 68 ALA H H 68 7.984 7.984 7.805 0.179 18302 5125 1 12 . 1 1 69 69 LEU N N 69 119.986 119.986 120.290 -0.304 18302 5126 1 12 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.790 -0.440 18302 5127 1 12 . 1 1 69 69 LEU C C 69 178.468 178.468 178.668 -0.200 18302 5128 1 12 . 1 1 69 69 LEU CA C 69 57.919 57.919 58.117 -0.198 18302 5129 1 12 . 1 1 69 69 LEU CB C 69 41.000 41.000 40.683 0.317 18302 5130 1 12 . 1 1 69 69 LEU H H 69 9.062 9.062 7.478 1.584 18302 5131 1 12 . 1 1 70 70 THR N N 70 114.834 114.834 115.593 -0.759 18302 5132 1 12 . 1 1 70 70 THR HA H 70 4.100 4.100 3.765 0.335 18302 5133 1 12 . 1 1 70 70 THR C C 70 176.391 176.391 176.990 -0.599 18302 5134 1 12 . 1 1 70 70 THR CA C 70 61.833 61.833 66.597 -4.764 18302 5135 1 12 . 1 1 70 70 THR CB C 70 68.267 68.267 68.744 -0.477 18302 5136 1 12 . 1 1 70 70 THR H H 70 7.710 7.710 8.395 -0.685 18302 5137 1 12 . 1 1 71 71 MET N N 71 120.233 120.233 119.289 0.944 18302 5138 1 12 . 1 1 71 71 MET HA H 71 3.850 3.850 3.969 -0.119 18302 5139 1 12 . 1 1 71 71 MET C C 71 178.145 178.145 177.016 1.129 18302 5140 1 12 . 1 1 71 71 MET CA C 71 58.768 58.768 58.732 0.036 18302 5141 1 12 . 1 1 71 71 MET CB C 71 31.233 31.233 32.007 -0.774 18302 5142 1 12 . 1 1 71 71 MET H H 71 7.034 7.034 8.188 -1.154 18302 5143 1 12 . 1 1 72 72 MET N N 72 118.621 118.621 116.577 2.044 18302 5144 1 12 . 1 1 72 72 MET HA H 72 3.800 3.800 4.379 -0.579 18302 5145 1 12 . 1 1 72 72 MET C C 72 178.930 178.930 177.123 1.807 18302 5146 1 12 . 1 1 72 72 MET CA C 72 56.500 56.500 57.003 -0.503 18302 5147 1 12 . 1 1 72 72 MET CB C 72 32.733 32.733 32.553 0.180 18302 5148 1 12 . 1 1 72 72 MET H H 72 7.839 7.839 7.335 0.504 18302 5149 1 12 . 1 1 73 73 ALA N N 73 120.567 120.567 121.361 -0.794 18302 5150 1 12 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.423 -0.288 18302 5151 1 12 . 1 1 73 73 ALA C C 73 179.332 179.332 178.543 0.789 18302 5152 1 12 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.918 1.162 18302 5153 1 12 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.571 -0.118 18302 5154 1 12 . 1 1 73 73 ALA H H 73 8.240 8.240 8.345 -0.105 18302 5155 1 12 . 1 1 74 74 ARG N N 74 116.784 116.784 117.286 -0.502 18302 5156 1 12 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.404 -0.267 18302 5157 1 12 . 1 1 74 74 ARG C C 74 177.511 177.511 175.658 1.853 18302 5158 1 12 . 1 1 74 74 ARG CA C 74 57.596 57.596 55.201 2.395 18302 5159 1 12 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.587 -0.181 18302 5160 1 12 . 1 1 74 74 ARG H H 74 7.382 7.382 7.715 -0.333 18302 5161 1 12 . 1 1 75 75 LYS N N 75 118.548 118.548 116.833 1.715 18302 5162 1 12 . 1 1 75 75 LYS HA H 75 4.306 4.306 3.918 0.388 18302 5163 1 12 . 1 1 75 75 LYS C C 75 176.937 176.937 176.200 0.737 18302 5164 1 12 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.931 -1.931 18302 5165 1 12 . 1 1 75 75 LYS CB C 75 32.750 32.750 30.222 2.528 18302 5166 1 12 . 1 1 75 75 LYS H H 75 7.732 7.732 7.763 -0.031 18302 5167 1 12 . 1 1 76 76 MET N N 76 120.367 120.367 118.027 2.340 18302 5168 1 12 . 1 1 76 76 MET HA H 76 4.443 4.443 4.127 0.316 18302 5169 1 12 . 1 1 76 76 MET C C 76 175.539 175.539 176.492 -0.953 18302 5170 1 12 . 1 1 76 76 MET CA C 76 55.500 55.500 56.644 -1.144 18302 5171 1 12 . 1 1 76 76 MET CB C 76 32.733 32.733 31.084 1.649 18302 5172 1 12 . 1 1 76 76 MET H H 76 7.863 7.863 8.036 -0.173 18302 5173 1 13 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.680 -0.064 18302 5174 1 13 . 1 1 2 2 ASP C C 2 175.975 175.975 176.427 -0.452 18302 5175 1 13 . 1 1 2 2 ASP CA C 2 54.666 54.666 53.860 0.806 18302 5176 1 13 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.814 -0.626 18302 5177 1 13 . 1 1 3 3 GLN N N 3 119.995 119.995 119.994 0.001 18302 5178 1 13 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.335 0.048 18302 5179 1 13 . 1 1 3 3 GLN C C 3 175.927 175.927 177.526 -1.599 18302 5180 1 13 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.463 -2.810 18302 5181 1 13 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.628 -0.394 18302 5182 1 13 . 1 1 3 3 GLN H H 3 8.414 8.414 8.324 0.090 18302 5183 1 13 . 1 1 4 4 LEU N N 4 123.586 123.586 119.171 4.415 18302 5184 1 13 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.133 0.537 18302 5185 1 13 . 1 1 4 4 LEU C C 4 177.983 177.983 176.920 1.063 18302 5186 1 13 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.957 -2.291 18302 5187 1 13 . 1 1 4 4 LEU CB C 4 43.532 43.532 41.223 2.309 18302 5188 1 13 . 1 1 4 4 LEU H H 4 8.352 8.352 8.472 -0.120 18302 5189 1 13 . 1 1 5 5 THR N N 5 113.292 113.292 110.847 2.445 18302 5190 1 13 . 1 1 5 5 THR HA H 5 4.470 4.470 4.567 -0.097 18302 5191 1 13 . 1 1 5 5 THR C C 5 175.729 175.729 174.859 0.870 18302 5192 1 13 . 1 1 5 5 THR CA C 5 60.526 60.526 60.926 -0.400 18302 5193 1 13 . 1 1 5 5 THR CB C 5 71.541 71.541 70.622 0.919 18302 5194 1 13 . 1 1 5 5 THR H H 5 8.735 8.735 7.611 1.124 18302 5195 1 13 . 1 1 6 6 GLU N N 6 120.507 120.507 126.377 -5.870 18302 5196 1 13 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.785 0.206 18302 5197 1 13 . 1 1 6 6 GLU C C 6 179.816 179.816 177.875 1.941 18302 5198 1 13 . 1 1 6 6 GLU CA C 6 59.940 59.940 61.258 -1.318 18302 5199 1 13 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.758 -0.524 18302 5200 1 13 . 1 1 6 6 GLU H H 6 9.060 9.060 9.031 0.029 18302 5201 1 13 . 1 1 7 7 GLU N N 7 120.000 120.000 118.264 1.736 18302 5202 1 13 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.926 0.159 18302 5203 1 13 . 1 1 7 7 GLU C C 7 179.588 179.588 178.813 0.775 18302 5204 1 13 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.581 0.359 18302 5205 1 13 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.392 0.441 18302 5206 1 13 . 1 1 7 7 GLU H H 7 8.770 8.770 8.724 0.046 18302 5207 1 13 . 1 1 8 8 GLN N N 8 120.798 120.798 118.741 2.057 18302 5208 1 13 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.026 -0.196 18302 5209 1 13 . 1 1 8 8 GLN C C 8 178.179 178.179 178.749 -0.570 18302 5210 1 13 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.994 -0.674 18302 5211 1 13 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.471 0.762 18302 5212 1 13 . 1 1 8 8 GLN H H 8 7.755 7.755 8.345 -0.590 18302 5213 1 13 . 1 1 9 9 ILE N N 9 119.028 119.028 115.837 3.191 18302 5214 1 13 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.932 -0.332 18302 5215 1 13 . 1 1 9 9 ILE C C 9 178.147 178.147 177.808 0.339 18302 5216 1 13 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.767 1.853 18302 5217 1 13 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.385 0.267 18302 5218 1 13 . 1 1 9 9 ILE H H 9 8.253 8.253 7.797 0.456 18302 5219 1 13 . 1 1 10 10 ALA N N 10 120.587 120.587 123.234 -2.647 18302 5220 1 13 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.899 0.241 18302 5221 1 13 . 1 1 10 10 ALA C C 10 181.279 181.279 179.718 1.561 18302 5222 1 13 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.408 -0.156 18302 5223 1 13 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.960 -0.460 18302 5224 1 13 . 1 1 10 10 ALA H H 10 8.051 8.051 8.147 -0.096 18302 5225 1 13 . 1 1 11 11 GLU N N 11 120.436 120.436 118.894 1.542 18302 5226 1 13 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.007 0.188 18302 5227 1 13 . 1 1 11 11 GLU C C 11 180.542 180.542 178.879 1.663 18302 5228 1 13 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.289 0.065 18302 5229 1 13 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.382 -0.148 18302 5230 1 13 . 1 1 11 11 GLU H H 11 7.795 7.795 8.727 -0.932 18302 5231 1 13 . 1 1 12 12 PHE N N 12 120.654 120.654 120.514 0.140 18302 5232 1 13 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.355 0.695 18302 5233 1 13 . 1 1 12 12 PHE C C 12 179.155 179.155 177.121 2.034 18302 5234 1 13 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.672 -1.912 18302 5235 1 13 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.904 -1.904 18302 5236 1 13 . 1 1 12 12 PHE H H 12 8.541 8.541 8.237 0.304 18302 5237 1 13 . 1 1 13 13 LYS N N 13 123.600 123.600 120.018 3.582 18302 5238 1 13 . 1 1 13 13 LYS HA H 13 3.993 3.993 2.951 1.042 18302 5239 1 13 . 1 1 13 13 LYS C C 13 179.523 179.523 178.470 1.053 18302 5240 1 13 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.030 0.910 18302 5241 1 13 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.611 0.122 18302 5242 1 13 . 1 1 13 13 LYS H H 13 9.279 9.279 7.402 1.877 18302 5243 1 13 . 1 1 14 14 GLU N N 14 121.150 121.150 118.642 2.508 18302 5244 1 13 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.873 0.248 18302 5245 1 13 . 1 1 14 14 GLU C C 14 179.859 179.859 178.761 1.098 18302 5246 1 13 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.140 0.214 18302 5247 1 13 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.107 0.626 18302 5248 1 13 . 1 1 14 14 GLU H H 14 8.036 8.036 8.075 -0.039 18302 5249 1 13 . 1 1 15 15 ALA N N 15 122.010 122.010 121.630 0.380 18302 5250 1 13 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.768 0.581 18302 5251 1 13 . 1 1 15 15 ALA C C 15 178.785 178.785 179.295 -0.510 18302 5252 1 13 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.783 0.469 18302 5253 1 13 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.325 -0.325 18302 5254 1 13 . 1 1 15 15 ALA H H 15 8.034 8.034 7.860 0.174 18302 5255 1 13 . 1 1 16 16 PHE N N 16 119.032 119.032 118.495 0.537 18302 5256 1 13 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.798 -0.498 18302 5257 1 13 . 1 1 16 16 PHE C C 16 178.534 178.534 177.061 1.473 18302 5258 1 13 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.878 2.122 18302 5259 1 13 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.421 1.579 18302 5260 1 13 . 1 1 16 16 PHE H H 16 8.633 8.633 8.350 0.283 18302 5261 1 13 . 1 1 17 17 SER N N 17 113.786 113.786 115.107 -1.321 18302 5262 1 13 . 1 1 17 17 SER HA H 17 4.100 4.100 3.187 0.913 18302 5263 1 13 . 1 1 17 17 SER C C 17 174.639 174.639 176.003 -1.364 18302 5264 1 13 . 1 1 17 17 SER CA C 17 61.500 61.500 61.353 0.147 18302 5265 1 13 . 1 1 17 17 SER CB C 17 63.500 63.500 62.833 0.667 18302 5266 1 13 . 1 1 17 17 SER H H 17 8.215 8.215 7.951 0.264 18302 5267 1 13 . 1 1 18 18 LEU N N 18 120.113 120.113 119.931 0.182 18302 5268 1 13 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.772 0.108 18302 5269 1 13 . 1 1 18 18 LEU C C 18 177.151 177.151 178.434 -1.283 18302 5270 1 13 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.254 -0.754 18302 5271 1 13 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.748 -0.248 18302 5272 1 13 . 1 1 18 18 LEU H H 18 7.417 7.417 7.178 0.239 18302 5273 1 13 . 1 1 19 19 PHE N N 19 112.070 112.070 116.433 -4.363 18302 5274 1 13 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.238 0.162 18302 5275 1 13 . 1 1 19 19 PHE C C 19 175.699 175.699 177.256 -1.557 18302 5276 1 13 . 1 1 19 19 PHE CA C 19 58.400 58.400 58.288 0.112 18302 5277 1 13 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.855 3.045 18302 5278 1 13 . 1 1 19 19 PHE H H 19 7.043 7.043 7.094 -0.051 18302 5279 1 13 . 1 1 20 20 ASP N N 20 116.223 116.223 119.684 -3.461 18302 5280 1 13 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.646 -0.046 18302 5281 1 13 . 1 1 20 20 ASP C C 20 177.625 177.625 177.540 0.085 18302 5282 1 13 . 1 1 20 20 ASP CA C 20 52.322 52.322 53.566 -1.244 18302 5283 1 13 . 1 1 20 20 ASP CB C 20 39.430 39.430 38.840 0.590 18302 5284 1 13 . 1 1 20 20 ASP H H 20 7.484 7.484 8.298 -0.814 18302 5285 1 13 . 1 1 21 21 LYS N N 21 124.544 124.544 122.497 2.047 18302 5286 1 13 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.911 0.089 18302 5287 1 13 . 1 1 21 21 LYS C C 21 178.513 178.513 178.054 0.459 18302 5288 1 13 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.473 -0.773 18302 5289 1 13 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.895 2.305 18302 5290 1 13 . 1 1 21 21 LYS H H 21 7.601 7.601 8.728 -1.127 18302 5291 1 13 . 1 1 22 22 ASP N N 22 114.320 114.320 116.456 -2.136 18302 5292 1 13 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.477 0.157 18302 5293 1 13 . 1 1 22 22 ASP C C 22 178.039 178.039 177.225 0.814 18302 5294 1 13 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.888 -1.980 18302 5295 1 13 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.520 -0.504 18302 5296 1 13 . 1 1 22 22 ASP H H 22 8.241 8.241 8.404 -0.163 18302 5297 1 13 . 1 1 23 23 GLY N N 23 109.478 109.478 108.144 1.334 18302 5298 1 13 . 1 1 23 23 GLY C C 23 175.427 175.427 174.845 0.582 18302 5299 1 13 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.201 0.847 18302 5300 1 13 . 1 1 23 23 GLY H H 23 7.680 7.680 8.173 -0.493 18302 5301 1 13 . 1 1 24 24 ASP N N 24 121.007 121.007 119.857 1.150 18302 5302 1 13 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.629 -0.129 18302 5303 1 13 . 1 1 24 24 ASP C C 24 177.660 177.660 177.657 0.003 18302 5304 1 13 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.590 0.491 18302 5305 1 13 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.814 -1.212 18302 5306 1 13 . 1 1 24 24 ASP H H 24 8.523 8.523 8.164 0.359 18302 5307 1 13 . 1 1 25 25 GLY N N 25 112.961 112.961 109.361 3.600 18302 5308 1 13 . 1 1 25 25 GLY C C 25 174.198 174.198 173.567 0.631 18302 5309 1 13 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.357 -0.067 18302 5310 1 13 . 1 1 25 25 GLY H H 25 10.539 10.539 9.451 1.088 18302 5311 1 13 . 1 1 26 26 THR N N 26 112.593 112.593 111.566 1.027 18302 5312 1 13 . 1 1 26 26 THR HA H 26 5.560 5.560 5.648 -0.088 18302 5313 1 13 . 1 1 26 26 THR C C 26 173.991 173.991 173.296 0.695 18302 5314 1 13 . 1 1 26 26 THR CA C 26 59.500 59.500 59.787 -0.287 18302 5315 1 13 . 1 1 26 26 THR CB C 26 73.299 73.299 72.787 0.512 18302 5316 1 13 . 1 1 26 26 THR H H 26 8.304 8.304 8.831 -0.527 18302 5317 1 13 . 1 1 27 27 ILE N N 27 126.868 126.868 122.093 4.775 18302 5318 1 13 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.912 -0.162 18302 5319 1 13 . 1 1 27 27 ILE C C 27 176.338 176.338 175.455 0.883 18302 5320 1 13 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.281 0.831 18302 5321 1 13 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.435 -0.436 18302 5322 1 13 . 1 1 27 27 ILE H H 27 9.988 9.988 8.475 1.513 18302 5323 1 13 . 1 1 28 28 THR N N 28 116.237 116.237 120.980 -4.743 18302 5324 1 13 . 1 1 28 28 THR HA H 28 4.850 4.850 4.887 -0.037 18302 5325 1 13 . 1 1 28 28 THR C C 28 176.422 176.422 175.320 1.102 18302 5326 1 13 . 1 1 28 28 THR CA C 28 59.000 59.000 59.458 -0.458 18302 5327 1 13 . 1 1 28 28 THR CB C 28 72.713 72.713 71.369 1.344 18302 5328 1 13 . 1 1 28 28 THR H H 28 8.233 8.233 9.023 -0.790 18302 5329 1 13 . 1 1 29 29 THR N N 29 114.660 114.660 113.052 1.608 18302 5330 1 13 . 1 1 29 29 THR HA H 29 3.800 3.800 4.041 -0.241 18302 5331 1 13 . 1 1 29 29 THR C C 29 177.772 177.772 176.626 1.146 18302 5332 1 13 . 1 1 29 29 THR CA C 29 66.767 66.767 66.043 0.724 18302 5333 1 13 . 1 1 29 29 THR CB C 29 68.611 68.611 68.825 -0.214 18302 5334 1 13 . 1 1 29 29 THR H H 29 9.316 9.316 8.514 0.802 18302 5335 1 13 . 1 1 30 30 LYS N N 30 121.300 121.300 121.151 0.149 18302 5336 1 13 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.019 0.109 18302 5337 1 13 . 1 1 30 30 LYS C C 30 180.194 180.194 178.997 1.197 18302 5338 1 13 . 1 1 30 30 LYS CA C 30 59.354 59.354 59.665 -0.311 18302 5339 1 13 . 1 1 30 30 LYS CB C 30 32.164 32.164 32.195 -0.031 18302 5340 1 13 . 1 1 30 30 LYS H H 30 7.900 7.900 7.823 0.077 18302 5341 1 13 . 1 1 31 31 GLU N N 31 122.184 122.184 119.903 2.281 18302 5342 1 13 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.031 -0.031 18302 5343 1 13 . 1 1 31 31 GLU C C 31 178.964 178.964 178.931 0.033 18302 5344 1 13 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.470 0.470 18302 5345 1 13 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.407 0.413 18302 5346 1 13 . 1 1 31 31 GLU H H 31 7.900 7.900 8.234 -0.334 18302 5347 1 13 . 1 1 32 32 LEU N N 32 120.000 120.000 120.234 -0.234 18302 5348 1 13 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.134 0.016 18302 5349 1 13 . 1 1 32 32 LEU C C 32 179.190 179.190 178.747 0.443 18302 5350 1 13 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.154 0.028 18302 5351 1 13 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.594 0.766 18302 5352 1 13 . 1 1 32 32 LEU H H 32 8.600 8.600 8.085 0.515 18302 5353 1 13 . 1 1 33 33 GLY N N 33 105.412 105.412 105.763 -0.351 18302 5354 1 13 . 1 1 33 33 GLY C C 33 175.371 175.371 175.967 -0.596 18302 5355 1 13 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.712 1.093 18302 5356 1 13 . 1 1 33 33 GLY H H 33 8.730 8.730 8.565 0.165 18302 5357 1 13 . 1 1 34 34 THR N N 34 118.762 118.762 119.371 -0.609 18302 5358 1 13 . 1 1 34 34 THR HA H 34 3.950 3.950 3.948 0.002 18302 5359 1 13 . 1 1 34 34 THR C C 34 177.681 177.681 176.748 0.933 18302 5360 1 13 . 1 1 34 34 THR CA C 34 66.767 66.767 66.909 -0.142 18302 5361 1 13 . 1 1 34 34 THR CB C 34 69.197 69.197 68.752 0.445 18302 5362 1 13 . 1 1 34 34 THR H H 34 8.104 8.104 7.785 0.319 18302 5363 1 13 . 1 1 35 35 VAL N N 35 122.943 122.943 121.855 1.088 18302 5364 1 13 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.703 -0.033 18302 5365 1 13 . 1 1 35 35 VAL C C 35 179.691 179.691 178.232 1.459 18302 5366 1 13 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.769 -0.202 18302 5367 1 13 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.354 0.479 18302 5368 1 13 . 1 1 35 35 VAL H H 35 8.230 8.230 7.689 0.541 18302 5369 1 13 . 1 1 36 36 MET N N 36 118.074 118.074 116.894 1.180 18302 5370 1 13 . 1 1 36 36 MET HA H 36 4.124 4.124 4.203 -0.079 18302 5371 1 13 . 1 1 36 36 MET C C 36 179.518 179.518 178.232 1.286 18302 5372 1 13 . 1 1 36 36 MET CA C 36 58.400 58.400 57.098 1.302 18302 5373 1 13 . 1 1 36 36 MET CB C 36 31.233 31.233 30.792 0.441 18302 5374 1 13 . 1 1 36 36 MET H H 36 8.746 8.746 8.828 -0.082 18302 5375 1 13 . 1 1 37 37 ARG N N 37 118.931 118.931 121.316 -2.385 18302 5376 1 13 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.236 0.614 18302 5377 1 13 . 1 1 37 37 ARG C C 37 181.608 181.608 179.550 2.058 18302 5378 1 13 . 1 1 37 37 ARG CA C 37 59.354 59.354 58.311 1.043 18302 5379 1 13 . 1 1 37 37 ARG CB C 37 29.820 29.820 29.590 0.230 18302 5380 1 13 . 1 1 37 37 ARG H H 37 8.559 8.559 8.068 0.491 18302 5381 1 13 . 1 1 38 38 SER N N 38 119.164 119.164 115.547 3.617 18302 5382 1 13 . 1 1 38 38 SER HA H 38 4.445 4.445 4.281 0.164 18302 5383 1 13 . 1 1 38 38 SER C C 38 175.212 175.212 176.113 -0.901 18302 5384 1 13 . 1 1 38 38 SER CA C 38 61.698 61.698 61.103 0.595 18302 5385 1 13 . 1 1 38 38 SER CB C 38 62.733 62.733 63.001 -0.268 18302 5386 1 13 . 1 1 38 38 SER H H 38 8.075 8.075 7.907 0.168 18302 5387 1 13 . 1 1 39 39 LEU N N 39 120.667 120.667 119.560 1.107 18302 5388 1 13 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.261 -0.031 18302 5389 1 13 . 1 1 39 39 LEU C C 39 177.740 177.740 177.566 0.174 18302 5390 1 13 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.856 -1.553 18302 5391 1 13 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.572 -0.798 18302 5392 1 13 . 1 1 39 39 LEU H H 39 7.419 7.419 7.680 -0.261 18302 5393 1 13 . 1 1 40 40 GLY N N 40 107.175 107.175 105.407 1.768 18302 5394 1 13 . 1 1 40 40 GLY C C 40 174.723 174.723 174.059 0.664 18302 5395 1 13 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.338 1.162 18302 5396 1 13 . 1 1 40 40 GLY H H 40 7.900 7.900 7.565 0.335 18302 5397 1 13 . 1 1 41 41 GLN N N 41 117.918 117.918 120.299 -2.381 18302 5398 1 13 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.395 -0.265 18302 5399 1 13 . 1 1 41 41 GLN C C 41 174.428 174.428 175.762 -1.334 18302 5400 1 13 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.908 0.092 18302 5401 1 13 . 1 1 41 41 GLN CB C 41 29.820 29.820 30.124 -0.304 18302 5402 1 13 . 1 1 41 41 GLN H H 41 7.746 7.746 7.946 -0.200 18302 5403 1 13 . 1 1 42 42 ASN N N 42 119.000 119.000 121.969 -2.969 18302 5404 1 13 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.571 0.029 18302 5405 1 13 . 1 1 42 42 ASN H H 42 8.250 8.250 8.632 -0.382 18302 5406 1 13 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.375 0.825 18302 5407 1 13 . 1 1 43 43 PRO C C 43 177.909 177.909 176.900 1.009 18302 5408 1 13 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.790 -1.506 18302 5409 1 13 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.124 -0.391 18302 5410 1 13 . 1 1 44 44 THR N N 44 113.390 113.390 115.922 -2.532 18302 5411 1 13 . 1 1 44 44 THR HA H 44 4.450 4.450 4.191 0.259 18302 5412 1 13 . 1 1 44 44 THR C C 44 175.483 175.483 175.447 0.036 18302 5413 1 13 . 1 1 44 44 THR CA C 44 60.526 60.526 62.155 -1.629 18302 5414 1 13 . 1 1 44 44 THR CB C 44 71.541 71.541 68.045 3.496 18302 5415 1 13 . 1 1 44 44 THR H H 44 8.982 8.982 7.963 1.018 18302 5416 1 13 . 1 1 45 45 GLU N N 45 120.632 120.632 127.196 -6.564 18302 5417 1 13 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.030 -0.080 18302 5418 1 13 . 1 1 45 45 GLU C C 45 179.348 179.348 177.014 2.334 18302 5419 1 13 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.413 0.587 18302 5420 1 13 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.152 0.581 18302 5421 1 13 . 1 1 45 45 GLU H H 45 8.854 8.854 8.843 0.011 18302 5422 1 13 . 1 1 46 46 THR N N 46 121.035 121.035 122.506 -1.471 18302 5423 1 13 . 1 1 46 46 THR HA H 46 4.121 4.121 4.347 -0.226 18302 5424 1 13 . 1 1 46 46 THR C C 46 175.463 175.463 176.266 -0.803 18302 5425 1 13 . 1 1 46 46 THR CA C 46 62.324 62.324 64.445 -2.121 18302 5426 1 13 . 1 1 46 46 THR CB C 46 70.088 70.088 68.109 1.979 18302 5427 1 13 . 1 1 46 46 THR H H 46 8.295 8.295 8.084 0.211 18302 5428 1 13 . 1 1 47 47 GLY N N 47 111.232 111.232 108.175 3.057 18302 5429 1 13 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.045 -0.108 18302 5430 1 13 . 1 1 47 47 GLY C C 47 174.998 174.998 176.988 -1.990 18302 5431 1 13 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.842 -1.921 18302 5432 1 13 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.281 0.539 18302 5433 1 13 . 1 1 47 47 GLY H H 47 8.720 8.720 7.627 1.093 18302 5434 1 13 . 1 1 48 48 ALA N N 48 124.417 124.417 121.301 3.116 18302 5435 1 13 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.959 0.323 18302 5436 1 13 . 1 1 48 48 ALA C C 48 177.866 177.866 179.910 -2.044 18302 5437 1 13 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.626 -1.801 18302 5438 1 13 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.451 0.936 18302 5439 1 13 . 1 1 48 48 ALA H H 48 8.365 8.365 7.654 0.711 18302 5440 1 13 . 1 1 49 49 ALA N N 49 122.129 122.129 121.546 0.583 18302 5441 1 13 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.820 0.426 18302 5442 1 13 . 1 1 49 49 ALA C C 49 178.647 178.647 179.947 -1.300 18302 5443 1 13 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.702 -2.531 18302 5444 1 13 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.646 -2.497 18302 5445 1 13 . 1 1 49 49 ALA H H 49 8.318 8.318 7.706 0.612 18302 5446 1 13 . 1 1 50 50 LEU N N 50 120.817 120.817 120.408 0.409 18302 5447 1 13 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.124 0.001 18302 5448 1 13 . 1 1 50 50 LEU C C 50 177.367 177.367 178.896 -1.529 18302 5449 1 13 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.816 -2.090 18302 5450 1 13 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.393 -0.293 18302 5451 1 13 . 1 1 50 50 LEU H H 50 8.126 8.126 8.159 -0.033 18302 5452 1 13 . 1 1 51 51 SER N N 51 116.273 116.273 115.466 0.807 18302 5453 1 13 . 1 1 51 51 SER HA H 51 4.057 4.057 4.103 -0.046 18302 5454 1 13 . 1 1 51 51 SER C C 51 175.939 175.939 177.022 -1.083 18302 5455 1 13 . 1 1 51 51 SER CA C 51 61.429 61.429 60.895 0.534 18302 5456 1 13 . 1 1 51 51 SER CB C 51 28.648 28.648 32.148 -3.500 18302 5457 1 13 . 1 1 51 51 SER H H 51 7.917 7.917 8.342 -0.425 18302 5458 1 13 . 1 1 52 52 TRP N N 52 123.132 123.132 119.603 3.529 18302 5459 1 13 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.114 0.483 18302 5460 1 13 . 1 1 52 52 TRP C C 52 178.377 178.377 177.947 0.430 18302 5461 1 13 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.192 0.473 18302 5462 1 13 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.142 0.246 18302 5463 1 13 . 1 1 52 52 TRP H H 52 8.732 8.732 8.608 0.124 18302 5464 1 13 . 1 1 53 53 GLN N N 53 117.115 117.115 118.041 -0.926 18302 5465 1 13 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.040 -0.071 18302 5466 1 13 . 1 1 53 53 GLN C C 53 177.779 177.779 178.808 -1.029 18302 5467 1 13 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.760 0.572 18302 5468 1 13 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.546 -0.396 18302 5469 1 13 . 1 1 53 53 GLN H H 53 8.480 8.480 7.769 0.711 18302 5470 1 13 . 1 1 54 54 ALA N N 54 120.557 120.557 123.250 -2.693 18302 5471 1 13 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.138 0.130 18302 5472 1 13 . 1 1 54 54 ALA C C 54 181.023 181.023 178.744 2.279 18302 5473 1 13 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.316 0.323 18302 5474 1 13 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.195 -0.586 18302 5475 1 13 . 1 1 54 54 ALA H H 54 8.003 8.003 7.756 0.247 18302 5476 1 13 . 1 1 55 55 ALA N N 55 122.442 122.442 115.967 6.475 18302 5477 1 13 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.464 -0.347 18302 5478 1 13 . 1 1 55 55 ALA C C 55 179.069 179.069 177.350 1.719 18302 5479 1 13 . 1 1 55 55 ALA CA C 55 55.478 55.478 50.387 5.091 18302 5480 1 13 . 1 1 55 55 ALA CB C 55 18.235 18.235 17.976 0.259 18302 5481 1 13 . 1 1 55 55 ALA H H 55 8.283 8.283 7.496 0.787 18302 5482 1 13 . 1 1 56 56 ILE N N 56 119.035 119.035 122.895 -3.860 18302 5483 1 13 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.987 -0.176 18302 5484 1 13 . 1 1 56 56 ILE C C 56 177.968 177.968 175.875 2.093 18302 5485 1 13 . 1 1 56 56 ILE CA C 56 65.950 65.950 61.902 4.048 18302 5486 1 13 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.257 0.058 18302 5487 1 13 . 1 1 56 56 ILE H H 56 8.682 8.682 7.291 1.391 18302 5488 1 13 . 1 1 57 57 ASP N N 57 119.160 119.160 120.182 -1.022 18302 5489 1 13 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.641 -0.241 18302 5490 1 13 . 1 1 57 57 ASP C C 57 179.117 179.117 175.781 3.336 18302 5491 1 13 . 1 1 57 57 ASP CA C 57 53.690 53.690 54.953 -1.263 18302 5492 1 13 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.963 -0.323 18302 5493 1 13 . 1 1 57 57 ASP H H 57 8.393 8.393 8.253 0.140 18302 5494 1 13 . 1 1 58 58 ALA N N 58 122.077 122.077 121.618 0.459 18302 5495 1 13 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.273 0.227 18302 5496 1 13 . 1 1 58 58 ALA C C 58 180.605 180.605 179.017 1.588 18302 5497 1 13 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.539 3.429 18302 5498 1 13 . 1 1 58 58 ALA CB C 58 18.534 18.534 18.256 0.278 18302 5499 1 13 . 1 1 58 58 ALA H H 58 8.153 8.153 7.930 0.223 18302 5500 1 13 . 1 1 59 59 ALA N N 59 123.120 123.120 122.109 1.011 18302 5501 1 13 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.852 0.194 18302 5502 1 13 . 1 1 59 59 ALA C C 59 180.385 180.385 177.580 2.805 18302 5503 1 13 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.171 2.758 18302 5504 1 13 . 1 1 59 59 ALA H H 59 8.807 8.807 7.916 0.891 18302 5505 1 13 . 1 1 60 60 ARG N N 60 119.705 119.705 120.658 -0.953 18302 5506 1 13 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.471 -0.483 18302 5507 1 13 . 1 1 60 60 ARG C C 60 179.348 179.348 176.562 2.786 18302 5508 1 13 . 1 1 60 60 ARG CA C 60 59.608 59.608 55.735 3.873 18302 5509 1 13 . 1 1 60 60 ARG CB C 60 30.295 30.295 31.255 -0.960 18302 5510 1 13 . 1 1 60 60 ARG H H 60 8.674 8.674 8.139 0.535 18302 5511 1 13 . 1 1 61 61 GLN N N 61 119.132 119.132 120.661 -1.529 18302 5512 1 13 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.010 0.086 18302 5513 1 13 . 1 1 61 61 GLN C C 61 177.615 177.615 173.944 3.671 18302 5514 1 13 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.513 2.717 18302 5515 1 13 . 1 1 61 61 GLN H H 61 8.053 8.053 8.014 0.039 18302 5516 1 13 . 1 1 62 62 ALA N N 62 120.910 120.910 115.556 5.354 18302 5517 1 13 . 1 1 62 62 ALA HA H 62 4.177 4.177 4.143 0.034 18302 5518 1 13 . 1 1 62 62 ALA C C 62 179.311 179.311 176.360 2.951 18302 5519 1 13 . 1 1 62 62 ALA CA C 62 53.947 53.947 51.901 2.046 18302 5520 1 13 . 1 1 62 62 ALA CB C 62 18.536 18.536 19.828 -1.292 18302 5521 1 13 . 1 1 62 62 ALA H H 62 7.920 7.920 7.957 -0.037 18302 5522 1 13 . 1 1 63 63 LYS N N 63 117.863 117.863 123.234 -5.371 18302 5523 1 13 . 1 1 63 63 LYS HA H 63 4.156 4.156 5.224 -1.068 18302 5524 1 13 . 1 1 63 63 LYS C C 63 178.324 178.324 176.748 1.576 18302 5525 1 13 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.192 4.695 18302 5526 1 13 . 1 1 63 63 LYS CB C 63 31.780 31.780 33.407 -1.627 18302 5527 1 13 . 1 1 63 63 LYS H H 63 7.680 7.680 8.511 -0.831 18302 5528 1 13 . 1 1 64 64 LEU N N 64 119.697 119.697 126.914 -7.217 18302 5529 1 13 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.908 -0.715 18302 5530 1 13 . 1 1 64 64 LEU C C 64 178.459 178.459 178.513 -0.054 18302 5531 1 13 . 1 1 64 64 LEU CA C 64 56.443 56.443 53.524 2.919 18302 5532 1 13 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.829 -1.668 18302 5533 1 13 . 1 1 64 64 LEU H H 64 7.895 7.895 8.852 -0.957 18302 5534 1 13 . 1 1 65 65 MET N N 65 117.184 117.184 120.103 -2.919 18302 5535 1 13 . 1 1 65 65 MET HA H 65 4.472 4.472 4.305 0.167 18302 5536 1 13 . 1 1 65 65 MET C C 65 177.053 177.053 175.791 1.262 18302 5537 1 13 . 1 1 65 65 MET CA C 65 55.889 55.889 60.582 -4.693 18302 5538 1 13 . 1 1 65 65 MET CB C 65 33.010 33.010 29.838 3.172 18302 5539 1 13 . 1 1 65 65 MET H H 65 7.958 7.958 9.311 -1.353 18302 5540 1 13 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.955 -0.105 18302 5541 1 13 . 1 1 66 66 GLY C C 66 174.137 174.137 176.167 -2.030 18302 5542 1 13 . 1 1 66 66 GLY CA C 66 45.590 45.590 48.047 -2.458 18302 5543 1 13 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.146 -0.313 18302 5544 1 13 . 1 1 67 67 SER N N 67 115.622 115.622 114.174 1.448 18302 5545 1 13 . 1 1 67 67 SER HA H 67 4.472 4.472 4.104 0.368 18302 5546 1 13 . 1 1 67 67 SER C C 67 173.300 173.300 176.842 -3.542 18302 5547 1 13 . 1 1 67 67 SER CA C 67 58.182 58.182 61.508 -3.326 18302 5548 1 13 . 1 1 67 67 SER CB C 67 64.389 64.389 62.671 1.718 18302 5549 1 13 . 1 1 67 67 SER H H 67 8.127 8.127 8.412 -0.285 18302 5550 1 13 . 1 1 68 68 ALA N N 68 131.351 131.351 122.857 8.494 18302 5551 1 13 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.976 0.224 18302 5552 1 13 . 1 1 68 68 ALA C C 68 176.792 176.792 177.386 -0.594 18302 5553 1 13 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.273 -1.157 18302 5554 1 13 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.406 0.842 18302 5555 1 13 . 1 1 68 68 ALA H H 68 7.984 7.984 7.676 0.307 18302 5556 1 13 . 1 1 69 69 LEU N N 69 119.986 119.986 117.932 2.054 18302 5557 1 13 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.897 -0.547 18302 5558 1 13 . 1 1 69 69 LEU C C 69 178.468 178.468 177.836 0.632 18302 5559 1 13 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.547 0.372 18302 5560 1 13 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.351 -0.351 18302 5561 1 13 . 1 1 69 69 LEU H H 69 9.062 9.062 7.662 1.400 18302 5562 1 13 . 1 1 70 70 THR N N 70 114.834 114.834 114.619 0.215 18302 5563 1 13 . 1 1 70 70 THR HA H 70 4.100 4.100 4.033 0.067 18302 5564 1 13 . 1 1 70 70 THR C C 70 176.391 176.391 176.446 -0.055 18302 5565 1 13 . 1 1 70 70 THR CA C 70 61.833 61.833 66.093 -4.260 18302 5566 1 13 . 1 1 70 70 THR CB C 70 68.267 68.267 69.074 -0.807 18302 5567 1 13 . 1 1 70 70 THR H H 70 7.710 7.710 7.711 -0.001 18302 5568 1 13 . 1 1 71 71 MET N N 71 120.233 120.233 121.983 -1.750 18302 5569 1 13 . 1 1 71 71 MET HA H 71 3.850 3.850 4.001 -0.151 18302 5570 1 13 . 1 1 71 71 MET C C 71 178.145 178.145 177.709 0.436 18302 5571 1 13 . 1 1 71 71 MET CA C 71 58.768 58.768 58.515 0.253 18302 5572 1 13 . 1 1 71 71 MET CB C 71 31.233 31.233 32.303 -1.070 18302 5573 1 13 . 1 1 71 71 MET H H 71 7.034 7.034 8.347 -1.313 18302 5574 1 13 . 1 1 72 72 MET N N 72 118.621 118.621 116.157 2.464 18302 5575 1 13 . 1 1 72 72 MET HA H 72 3.800 3.800 4.380 -0.580 18302 5576 1 13 . 1 1 72 72 MET C C 72 178.930 178.930 176.905 2.025 18302 5577 1 13 . 1 1 72 72 MET CA C 72 56.500 56.500 56.762 -0.262 18302 5578 1 13 . 1 1 72 72 MET CB C 72 32.733 32.733 32.290 0.443 18302 5579 1 13 . 1 1 72 72 MET H H 72 7.839 7.839 7.509 0.330 18302 5580 1 13 . 1 1 73 73 ALA N N 73 120.567 120.567 121.663 -1.096 18302 5581 1 13 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.427 -0.292 18302 5582 1 13 . 1 1 73 73 ALA C C 73 179.332 179.332 178.077 1.255 18302 5583 1 13 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.080 2.000 18302 5584 1 13 . 1 1 73 73 ALA CB C 73 18.453 18.453 17.766 0.687 18302 5585 1 13 . 1 1 73 73 ALA H H 73 8.240 8.240 8.327 -0.087 18302 5586 1 13 . 1 1 74 74 ARG N N 74 116.784 116.784 117.566 -0.782 18302 5587 1 13 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.246 -0.109 18302 5588 1 13 . 1 1 74 74 ARG C C 74 177.511 177.511 176.870 0.641 18302 5589 1 13 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.799 0.797 18302 5590 1 13 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.015 0.391 18302 5591 1 13 . 1 1 74 74 ARG H H 74 7.382 7.382 7.804 -0.422 18302 5592 1 13 . 1 1 75 75 LYS N N 75 118.548 118.548 120.106 -1.558 18302 5593 1 13 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.281 0.025 18302 5594 1 13 . 1 1 75 75 LYS C C 75 176.937 176.937 175.985 0.952 18302 5595 1 13 . 1 1 75 75 LYS CA C 75 55.000 55.000 55.955 -0.955 18302 5596 1 13 . 1 1 75 75 LYS CB C 75 32.750 32.750 32.407 0.343 18302 5597 1 13 . 1 1 75 75 LYS H H 75 7.732 7.732 7.753 -0.021 18302 5598 1 13 . 1 1 76 76 MET N N 76 120.367 120.367 119.290 1.077 18302 5599 1 13 . 1 1 76 76 MET HA H 76 4.443 4.443 4.519 -0.076 18302 5600 1 13 . 1 1 76 76 MET C C 76 175.539 175.539 175.916 -0.377 18302 5601 1 13 . 1 1 76 76 MET CA C 76 55.500 55.500 54.778 0.722 18302 5602 1 13 . 1 1 76 76 MET CB C 76 32.733 32.733 34.037 -1.304 18302 5603 1 13 . 1 1 76 76 MET H H 76 7.863 7.863 7.666 0.197 18302 5604 1 14 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.556 0.060 18302 5605 1 14 . 1 1 2 2 ASP C C 2 175.975 175.975 177.006 -1.031 18302 5606 1 14 . 1 1 2 2 ASP CA C 2 54.666 54.666 55.777 -1.111 18302 5607 1 14 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.385 -0.197 18302 5608 1 14 . 1 1 3 3 GLN N N 3 119.995 119.995 118.541 1.454 18302 5609 1 14 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.463 -0.080 18302 5610 1 14 . 1 1 3 3 GLN C C 3 175.927 175.927 174.468 1.459 18302 5611 1 14 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.490 -2.837 18302 5612 1 14 . 1 1 3 3 GLN CB C 3 29.234 29.234 30.387 -1.153 18302 5613 1 14 . 1 1 3 3 GLN H H 3 8.414 8.414 7.669 0.745 18302 5614 1 14 . 1 1 4 4 LEU N N 4 123.586 123.586 123.747 -0.161 18302 5615 1 14 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.150 0.520 18302 5616 1 14 . 1 1 4 4 LEU C C 4 177.983 177.983 175.637 2.346 18302 5617 1 14 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.616 -0.950 18302 5618 1 14 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.107 1.425 18302 5619 1 14 . 1 1 4 4 LEU H H 4 8.352 8.352 8.602 -0.250 18302 5620 1 14 . 1 1 5 5 THR N N 5 113.292 113.292 118.377 -5.085 18302 5621 1 14 . 1 1 5 5 THR HA H 5 4.470 4.470 4.480 -0.010 18302 5622 1 14 . 1 1 5 5 THR C C 5 175.729 175.729 175.290 0.439 18302 5623 1 14 . 1 1 5 5 THR CA C 5 60.526 60.526 61.150 -0.624 18302 5624 1 14 . 1 1 5 5 THR CB C 5 71.541 71.541 69.885 1.656 18302 5625 1 14 . 1 1 5 5 THR H H 5 8.735 8.735 7.928 0.807 18302 5626 1 14 . 1 1 6 6 GLU N N 6 120.507 120.507 120.063 0.444 18302 5627 1 14 . 1 1 6 6 GLU HA H 6 3.991 3.991 4.050 -0.059 18302 5628 1 14 . 1 1 6 6 GLU C C 6 179.816 179.816 178.592 1.224 18302 5629 1 14 . 1 1 6 6 GLU CA C 6 59.940 59.940 59.768 0.172 18302 5630 1 14 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.708 -0.474 18302 5631 1 14 . 1 1 6 6 GLU H H 6 9.060 9.060 8.728 0.332 18302 5632 1 14 . 1 1 7 7 GLU N N 7 120.000 120.000 119.327 0.673 18302 5633 1 14 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.974 0.111 18302 5634 1 14 . 1 1 7 7 GLU C C 7 179.588 179.588 178.876 0.712 18302 5635 1 14 . 1 1 7 7 GLU CA C 7 59.940 59.940 60.279 -0.339 18302 5636 1 14 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.980 -0.147 18302 5637 1 14 . 1 1 7 7 GLU H H 7 8.770 8.770 8.608 0.162 18302 5638 1 14 . 1 1 8 8 GLN N N 8 120.798 120.798 117.214 3.584 18302 5639 1 14 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.132 -0.302 18302 5640 1 14 . 1 1 8 8 GLN C C 8 178.179 178.179 178.753 -0.574 18302 5641 1 14 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.001 -0.681 18302 5642 1 14 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.376 0.857 18302 5643 1 14 . 1 1 8 8 GLN H H 8 7.755 7.755 8.458 -0.703 18302 5644 1 14 . 1 1 9 9 ILE N N 9 119.028 119.028 115.975 3.053 18302 5645 1 14 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.912 -0.312 18302 5646 1 14 . 1 1 9 9 ILE C C 9 178.147 178.147 177.744 0.403 18302 5647 1 14 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.912 1.708 18302 5648 1 14 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.204 0.448 18302 5649 1 14 . 1 1 9 9 ILE H H 9 8.253 8.253 7.476 0.777 18302 5650 1 14 . 1 1 10 10 ALA N N 10 120.587 120.587 122.551 -1.964 18302 5651 1 14 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.945 0.195 18302 5652 1 14 . 1 1 10 10 ALA C C 10 181.279 181.279 179.493 1.786 18302 5653 1 14 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.242 0.010 18302 5654 1 14 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.832 -0.332 18302 5655 1 14 . 1 1 10 10 ALA H H 10 8.051 8.051 7.965 0.086 18302 5656 1 14 . 1 1 11 11 GLU N N 11 120.436 120.436 119.949 0.487 18302 5657 1 14 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.047 0.148 18302 5658 1 14 . 1 1 11 11 GLU C C 11 180.542 180.542 178.632 1.910 18302 5659 1 14 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.367 -0.013 18302 5660 1 14 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.799 -0.565 18302 5661 1 14 . 1 1 11 11 GLU H H 11 7.795 7.795 7.921 -0.126 18302 5662 1 14 . 1 1 12 12 PHE N N 12 120.654 120.654 120.680 -0.026 18302 5663 1 14 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.395 0.655 18302 5664 1 14 . 1 1 12 12 PHE C C 12 179.155 179.155 177.378 1.777 18302 5665 1 14 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.720 -1.960 18302 5666 1 14 . 1 1 12 12 PHE CB C 12 37.000 37.000 39.108 -2.108 18302 5667 1 14 . 1 1 12 12 PHE H H 12 8.541 8.541 8.451 0.090 18302 5668 1 14 . 1 1 13 13 LYS N N 13 123.600 123.600 120.097 3.503 18302 5669 1 14 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.189 0.804 18302 5670 1 14 . 1 1 13 13 LYS C C 13 179.523 179.523 178.643 0.880 18302 5671 1 14 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.294 0.646 18302 5672 1 14 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.758 -0.025 18302 5673 1 14 . 1 1 13 13 LYS H H 13 9.279 9.279 7.801 1.478 18302 5674 1 14 . 1 1 14 14 GLU N N 14 121.150 121.150 118.471 2.679 18302 5675 1 14 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.927 0.194 18302 5676 1 14 . 1 1 14 14 GLU C C 14 179.859 179.859 178.795 1.064 18302 5677 1 14 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.097 0.257 18302 5678 1 14 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.184 0.549 18302 5679 1 14 . 1 1 14 14 GLU H H 14 8.036 8.036 7.854 0.182 18302 5680 1 14 . 1 1 15 15 ALA N N 15 122.010 122.010 121.845 0.165 18302 5681 1 14 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.828 0.521 18302 5682 1 14 . 1 1 15 15 ALA C C 15 178.785 178.785 179.428 -0.643 18302 5683 1 14 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.873 0.379 18302 5684 1 14 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.414 -0.414 18302 5685 1 14 . 1 1 15 15 ALA H H 15 8.034 8.034 7.791 0.243 18302 5686 1 14 . 1 1 16 16 PHE N N 16 119.032 119.032 119.035 -0.003 18302 5687 1 14 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.918 -0.618 18302 5688 1 14 . 1 1 16 16 PHE C C 16 178.534 178.534 177.146 1.388 18302 5689 1 14 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.751 2.249 18302 5690 1 14 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.434 1.566 18302 5691 1 14 . 1 1 16 16 PHE H H 16 8.633 8.633 8.588 0.045 18302 5692 1 14 . 1 1 17 17 SER N N 17 113.786 113.786 114.445 -0.659 18302 5693 1 14 . 1 1 17 17 SER HA H 17 4.100 4.100 3.130 0.970 18302 5694 1 14 . 1 1 17 17 SER C C 17 174.639 174.639 175.929 -1.290 18302 5695 1 14 . 1 1 17 17 SER CA C 17 61.500 61.500 61.183 0.317 18302 5696 1 14 . 1 1 17 17 SER CB C 17 63.500 63.500 62.768 0.732 18302 5697 1 14 . 1 1 17 17 SER H H 17 8.215 8.215 7.697 0.518 18302 5698 1 14 . 1 1 18 18 LEU N N 18 120.113 120.113 119.476 0.637 18302 5699 1 14 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.772 0.108 18302 5700 1 14 . 1 1 18 18 LEU C C 18 177.151 177.151 178.698 -1.547 18302 5701 1 14 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.295 -0.795 18302 5702 1 14 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.736 -0.236 18302 5703 1 14 . 1 1 18 18 LEU H H 18 7.417 7.417 7.098 0.319 18302 5704 1 14 . 1 1 19 19 PHE N N 19 112.070 112.070 116.481 -4.411 18302 5705 1 14 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.207 0.193 18302 5706 1 14 . 1 1 19 19 PHE C C 19 175.699 175.699 177.162 -1.463 18302 5707 1 14 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.091 -0.691 18302 5708 1 14 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.872 3.028 18302 5709 1 14 . 1 1 19 19 PHE H H 19 7.043 7.043 7.330 -0.287 18302 5710 1 14 . 1 1 20 20 ASP N N 20 116.223 116.223 120.047 -3.824 18302 5711 1 14 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.814 -0.214 18302 5712 1 14 . 1 1 20 20 ASP C C 20 177.625 177.625 177.056 0.569 18302 5713 1 14 . 1 1 20 20 ASP CA C 20 52.322 52.322 53.852 -1.530 18302 5714 1 14 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.240 0.190 18302 5715 1 14 . 1 1 20 20 ASP H H 20 7.484 7.484 8.135 -0.651 18302 5716 1 14 . 1 1 21 21 LYS N N 21 124.544 124.544 121.434 3.110 18302 5717 1 14 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.925 0.075 18302 5718 1 14 . 1 1 21 21 LYS C C 21 178.513 178.513 178.217 0.296 18302 5719 1 14 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.460 -0.760 18302 5720 1 14 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.970 2.230 18302 5721 1 14 . 1 1 21 21 LYS H H 21 7.601 7.601 8.549 -0.948 18302 5722 1 14 . 1 1 22 22 ASP N N 22 114.320 114.320 116.948 -2.628 18302 5723 1 14 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.456 0.178 18302 5724 1 14 . 1 1 22 22 ASP C C 22 178.039 178.039 177.188 0.851 18302 5725 1 14 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.628 -1.720 18302 5726 1 14 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.652 -0.636 18302 5727 1 14 . 1 1 22 22 ASP H H 22 8.241 8.241 8.385 -0.144 18302 5728 1 14 . 1 1 23 23 GLY N N 23 109.478 109.478 107.649 1.829 18302 5729 1 14 . 1 1 23 23 GLY C C 23 175.427 175.427 174.782 0.645 18302 5730 1 14 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.964 1.084 18302 5731 1 14 . 1 1 23 23 GLY H H 23 7.680 7.680 8.035 -0.355 18302 5732 1 14 . 1 1 24 24 ASP N N 24 121.007 121.007 120.323 0.684 18302 5733 1 14 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.679 -0.179 18302 5734 1 14 . 1 1 24 24 ASP C C 24 177.660 177.660 177.346 0.314 18302 5735 1 14 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.731 0.349 18302 5736 1 14 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.386 -0.784 18302 5737 1 14 . 1 1 24 24 ASP H H 24 8.523 8.523 8.257 0.266 18302 5738 1 14 . 1 1 25 25 GLY N N 25 112.961 112.961 108.556 4.405 18302 5739 1 14 . 1 1 25 25 GLY C C 25 174.198 174.198 173.606 0.592 18302 5740 1 14 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.374 -0.084 18302 5741 1 14 . 1 1 25 25 GLY H H 25 10.539 10.539 9.391 1.148 18302 5742 1 14 . 1 1 26 26 THR N N 26 112.593 112.593 110.547 2.046 18302 5743 1 14 . 1 1 26 26 THR HA H 26 5.560 5.560 5.165 0.396 18302 5744 1 14 . 1 1 26 26 THR C C 26 173.991 173.991 173.218 0.773 18302 5745 1 14 . 1 1 26 26 THR CA C 26 59.500 59.500 59.642 -0.142 18302 5746 1 14 . 1 1 26 26 THR CB C 26 73.299 73.299 72.249 1.050 18302 5747 1 14 . 1 1 26 26 THR H H 26 8.304 8.304 7.803 0.501 18302 5748 1 14 . 1 1 27 27 ILE N N 27 126.868 126.868 122.111 4.757 18302 5749 1 14 . 1 1 27 27 ILE HA H 27 4.750 4.750 5.234 -0.484 18302 5750 1 14 . 1 1 27 27 ILE C C 27 176.338 176.338 175.515 0.823 18302 5751 1 14 . 1 1 27 27 ILE CA C 27 61.112 61.112 59.835 1.277 18302 5752 1 14 . 1 1 27 27 ILE CB C 27 40.000 40.000 41.531 -1.530 18302 5753 1 14 . 1 1 27 27 ILE H H 27 9.988 9.988 8.449 1.539 18302 5754 1 14 . 1 1 28 28 THR N N 28 116.237 116.237 118.067 -1.830 18302 5755 1 14 . 1 1 28 28 THR HA H 28 4.850 4.850 4.990 -0.140 18302 5756 1 14 . 1 1 28 28 THR C C 28 176.422 176.422 175.715 0.707 18302 5757 1 14 . 1 1 28 28 THR CA C 28 59.000 59.000 58.859 0.141 18302 5758 1 14 . 1 1 28 28 THR CB C 28 72.713 72.713 70.774 1.939 18302 5759 1 14 . 1 1 28 28 THR H H 28 8.233 8.233 8.274 -0.041 18302 5760 1 14 . 1 1 29 29 THR N N 29 114.660 114.660 116.297 -1.637 18302 5761 1 14 . 1 1 29 29 THR HA H 29 3.800 3.800 3.935 -0.135 18302 5762 1 14 . 1 1 29 29 THR C C 29 177.772 177.772 176.650 1.122 18302 5763 1 14 . 1 1 29 29 THR CA C 29 66.767 66.767 66.418 0.349 18302 5764 1 14 . 1 1 29 29 THR CB C 29 68.611 68.611 68.820 -0.210 18302 5765 1 14 . 1 1 29 29 THR H H 29 9.316 9.316 9.059 0.257 18302 5766 1 14 . 1 1 30 30 LYS N N 30 121.300 121.300 120.879 0.421 18302 5767 1 14 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.000 0.128 18302 5768 1 14 . 1 1 30 30 LYS C C 30 180.194 180.194 179.117 1.077 18302 5769 1 14 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.075 -0.721 18302 5770 1 14 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.977 0.187 18302 5771 1 14 . 1 1 30 30 LYS H H 30 7.900 7.900 7.766 0.134 18302 5772 1 14 . 1 1 31 31 GLU N N 31 122.184 122.184 119.508 2.676 18302 5773 1 14 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.065 -0.065 18302 5774 1 14 . 1 1 31 31 GLU C C 31 178.964 178.964 178.883 0.081 18302 5775 1 14 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.713 0.227 18302 5776 1 14 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.447 0.373 18302 5777 1 14 . 1 1 31 31 GLU H H 31 7.900 7.900 8.159 -0.259 18302 5778 1 14 . 1 1 32 32 LEU N N 32 120.000 120.000 120.219 -0.219 18302 5779 1 14 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.204 -0.054 18302 5780 1 14 . 1 1 32 32 LEU C C 32 179.190 179.190 178.856 0.334 18302 5781 1 14 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.141 0.041 18302 5782 1 14 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.884 0.476 18302 5783 1 14 . 1 1 32 32 LEU H H 32 8.600 8.600 8.465 0.135 18302 5784 1 14 . 1 1 33 33 GLY N N 33 105.412 105.412 106.437 -1.025 18302 5785 1 14 . 1 1 33 33 GLY C C 33 175.371 175.371 175.891 -0.520 18302 5786 1 14 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.665 1.141 18302 5787 1 14 . 1 1 33 33 GLY H H 33 8.730 8.730 8.810 -0.080 18302 5788 1 14 . 1 1 34 34 THR N N 34 118.762 118.762 119.442 -0.680 18302 5789 1 14 . 1 1 34 34 THR HA H 34 3.950 3.950 4.015 -0.065 18302 5790 1 14 . 1 1 34 34 THR C C 34 177.681 177.681 176.787 0.894 18302 5791 1 14 . 1 1 34 34 THR CA C 34 66.767 66.767 67.154 -0.387 18302 5792 1 14 . 1 1 34 34 THR CB C 34 69.197 69.197 68.587 0.610 18302 5793 1 14 . 1 1 34 34 THR H H 34 8.104 8.104 7.826 0.278 18302 5794 1 14 . 1 1 35 35 VAL N N 35 122.943 122.943 121.993 0.950 18302 5795 1 14 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.721 -0.051 18302 5796 1 14 . 1 1 35 35 VAL C C 35 179.691 179.691 178.424 1.267 18302 5797 1 14 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.766 -0.199 18302 5798 1 14 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.162 0.671 18302 5799 1 14 . 1 1 35 35 VAL H H 35 8.230 8.230 7.749 0.481 18302 5800 1 14 . 1 1 36 36 MET N N 36 118.074 118.074 117.750 0.324 18302 5801 1 14 . 1 1 36 36 MET HA H 36 4.124 4.124 4.180 -0.056 18302 5802 1 14 . 1 1 36 36 MET C C 36 179.518 179.518 178.591 0.927 18302 5803 1 14 . 1 1 36 36 MET CA C 36 58.400 58.400 57.888 0.512 18302 5804 1 14 . 1 1 36 36 MET CB C 36 31.233 31.233 31.310 -0.077 18302 5805 1 14 . 1 1 36 36 MET H H 36 8.746 8.746 8.554 0.192 18302 5806 1 14 . 1 1 37 37 ARG N N 37 118.931 118.931 120.794 -1.863 18302 5807 1 14 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.093 0.757 18302 5808 1 14 . 1 1 37 37 ARG C C 37 181.608 181.608 179.465 2.143 18302 5809 1 14 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.557 -0.203 18302 5810 1 14 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.261 -0.441 18302 5811 1 14 . 1 1 37 37 ARG H H 37 8.559 8.559 8.545 0.014 18302 5812 1 14 . 1 1 38 38 SER N N 38 119.164 119.164 116.603 2.561 18302 5813 1 14 . 1 1 38 38 SER HA H 38 4.445 4.445 4.254 0.191 18302 5814 1 14 . 1 1 38 38 SER C C 38 175.212 175.212 176.123 -0.911 18302 5815 1 14 . 1 1 38 38 SER CA C 38 61.698 61.698 61.172 0.527 18302 5816 1 14 . 1 1 38 38 SER CB C 38 62.733 62.733 62.833 -0.100 18302 5817 1 14 . 1 1 38 38 SER H H 38 8.075 8.075 8.318 -0.243 18302 5818 1 14 . 1 1 39 39 LEU N N 39 120.667 120.667 120.004 0.663 18302 5819 1 14 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.278 -0.048 18302 5820 1 14 . 1 1 39 39 LEU C C 39 177.740 177.740 177.521 0.219 18302 5821 1 14 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.611 -1.308 18302 5822 1 14 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.487 -0.713 18302 5823 1 14 . 1 1 39 39 LEU H H 39 7.419 7.419 7.592 -0.173 18302 5824 1 14 . 1 1 40 40 GLY N N 40 107.175 107.175 105.958 1.217 18302 5825 1 14 . 1 1 40 40 GLY C C 40 174.723 174.723 174.023 0.700 18302 5826 1 14 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.460 1.040 18302 5827 1 14 . 1 1 40 40 GLY H H 40 7.900 7.900 7.982 -0.082 18302 5828 1 14 . 1 1 41 41 GLN N N 41 117.918 117.918 120.266 -2.348 18302 5829 1 14 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.343 -0.213 18302 5830 1 14 . 1 1 41 41 GLN C C 41 174.428 174.428 176.355 -1.927 18302 5831 1 14 . 1 1 41 41 GLN CA C 41 55.000 55.000 55.187 -0.187 18302 5832 1 14 . 1 1 41 41 GLN CB C 41 29.820 29.820 29.247 0.573 18302 5833 1 14 . 1 1 41 41 GLN H H 41 7.746 7.746 7.721 0.025 18302 5834 1 14 . 1 1 42 42 ASN N N 42 119.000 119.000 124.640 -5.640 18302 5835 1 14 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.639 -0.039 18302 5836 1 14 . 1 1 42 42 ASN H H 42 8.250 8.250 8.619 -0.369 18302 5837 1 14 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.368 0.832 18302 5838 1 14 . 1 1 43 43 PRO C C 43 177.909 177.909 175.785 2.124 18302 5839 1 14 . 1 1 43 43 PRO CA C 43 62.284 62.284 64.190 -1.906 18302 5840 1 14 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.394 0.339 18302 5841 1 14 . 1 1 44 44 THR N N 44 113.390 113.390 119.386 -5.996 18302 5842 1 14 . 1 1 44 44 THR HA H 44 4.450 4.450 4.634 -0.184 18302 5843 1 14 . 1 1 44 44 THR C C 44 175.483 175.483 175.116 0.367 18302 5844 1 14 . 1 1 44 44 THR CA C 44 60.526 60.526 61.825 -1.299 18302 5845 1 14 . 1 1 44 44 THR CB C 44 71.541 71.541 69.200 2.341 18302 5846 1 14 . 1 1 44 44 THR H H 44 8.982 8.982 8.226 0.756 18302 5847 1 14 . 1 1 45 45 GLU N N 45 120.632 120.632 122.333 -1.701 18302 5848 1 14 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.925 0.025 18302 5849 1 14 . 1 1 45 45 GLU C C 45 179.348 179.348 177.556 1.792 18302 5850 1 14 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.088 -0.088 18302 5851 1 14 . 1 1 45 45 GLU CB C 45 29.733 29.733 28.744 0.989 18302 5852 1 14 . 1 1 45 45 GLU H H 45 8.854 8.854 8.904 -0.050 18302 5853 1 14 . 1 1 46 46 THR N N 46 121.035 121.035 121.419 -0.384 18302 5854 1 14 . 1 1 46 46 THR HA H 46 4.121 4.121 4.473 -0.352 18302 5855 1 14 . 1 1 46 46 THR C C 46 175.463 175.463 176.975 -1.512 18302 5856 1 14 . 1 1 46 46 THR CA C 46 62.324 62.324 64.650 -2.326 18302 5857 1 14 . 1 1 46 46 THR CB C 46 70.088 70.088 68.210 1.878 18302 5858 1 14 . 1 1 46 46 THR H H 46 8.295 8.295 8.226 0.069 18302 5859 1 14 . 1 1 47 47 GLY N N 47 111.232 111.232 108.364 2.868 18302 5860 1 14 . 1 1 47 47 GLY HA H 47 3.937 3.937 3.998 -0.061 18302 5861 1 14 . 1 1 47 47 GLY C C 47 174.998 174.998 177.242 -2.244 18302 5862 1 14 . 1 1 47 47 GLY CA C 47 45.921 45.921 48.473 -2.552 18302 5863 1 14 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.054 0.766 18302 5864 1 14 . 1 1 47 47 GLY H H 47 8.720 8.720 7.647 1.073 18302 5865 1 14 . 1 1 48 48 ALA N N 48 124.417 124.417 121.199 3.218 18302 5866 1 14 . 1 1 48 48 ALA HA H 48 4.282 4.282 4.039 0.243 18302 5867 1 14 . 1 1 48 48 ALA C C 48 177.866 177.866 179.875 -2.009 18302 5868 1 14 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.176 -1.351 18302 5869 1 14 . 1 1 48 48 ALA CB C 48 19.387 19.387 17.926 1.461 18302 5870 1 14 . 1 1 48 48 ALA H H 48 8.365 8.365 7.457 0.908 18302 5871 1 14 . 1 1 49 49 ALA N N 49 122.129 122.129 122.107 0.022 18302 5872 1 14 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.829 0.417 18302 5873 1 14 . 1 1 49 49 ALA C C 49 178.647 178.647 180.120 -1.473 18302 5874 1 14 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.852 -2.680 18302 5875 1 14 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.600 -2.451 18302 5876 1 14 . 1 1 49 49 ALA H H 49 8.318 8.318 7.920 0.399 18302 5877 1 14 . 1 1 50 50 LEU N N 50 120.817 120.817 120.274 0.543 18302 5878 1 14 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.183 -0.058 18302 5879 1 14 . 1 1 50 50 LEU C C 50 177.367 177.367 179.130 -1.763 18302 5880 1 14 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.247 -1.521 18302 5881 1 14 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.109 -0.009 18302 5882 1 14 . 1 1 50 50 LEU H H 50 8.126 8.126 7.969 0.157 18302 5883 1 14 . 1 1 51 51 SER N N 51 116.273 116.273 115.957 0.316 18302 5884 1 14 . 1 1 51 51 SER HA H 51 4.057 4.057 4.052 0.005 18302 5885 1 14 . 1 1 51 51 SER C C 51 175.939 175.939 176.999 -1.060 18302 5886 1 14 . 1 1 51 51 SER CA C 51 61.429 61.429 62.664 -1.235 18302 5887 1 14 . 1 1 51 51 SER CB C 51 28.648 28.648 32.992 -4.344 18302 5888 1 14 . 1 1 51 51 SER H H 51 7.917 7.917 7.964 -0.047 18302 5889 1 14 . 1 1 52 52 TRP N N 52 123.132 123.132 121.402 1.730 18302 5890 1 14 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.063 0.534 18302 5891 1 14 . 1 1 52 52 TRP C C 52 178.377 178.377 178.450 -0.073 18302 5892 1 14 . 1 1 52 52 TRP CA C 52 61.665 61.665 62.005 -0.340 18302 5893 1 14 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.252 0.136 18302 5894 1 14 . 1 1 52 52 TRP H H 52 8.732 8.732 8.810 -0.078 18302 5895 1 14 . 1 1 53 53 GLN N N 53 117.115 117.115 118.097 -0.982 18302 5896 1 14 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.996 -0.027 18302 5897 1 14 . 1 1 53 53 GLN C C 53 177.779 177.779 177.337 0.442 18302 5898 1 14 . 1 1 53 53 GLN CA C 53 59.332 59.332 59.309 0.023 18302 5899 1 14 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.659 -0.509 18302 5900 1 14 . 1 1 53 53 GLN H H 53 8.480 8.480 7.839 0.641 18302 5901 1 14 . 1 1 54 54 ALA N N 54 120.557 120.557 122.051 -1.494 18302 5902 1 14 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.108 0.160 18302 5903 1 14 . 1 1 54 54 ALA C C 54 181.023 181.023 179.283 1.740 18302 5904 1 14 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.239 0.401 18302 5905 1 14 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.558 -0.949 18302 5906 1 14 . 1 1 54 54 ALA H H 54 8.003 8.003 7.383 0.620 18302 5907 1 14 . 1 1 55 55 ALA N N 55 122.442 122.442 117.671 4.771 18302 5908 1 14 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.064 0.053 18302 5909 1 14 . 1 1 55 55 ALA C C 55 179.069 179.069 178.210 0.859 18302 5910 1 14 . 1 1 55 55 ALA CA C 55 55.478 55.478 53.612 1.866 18302 5911 1 14 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.698 -0.463 18302 5912 1 14 . 1 1 55 55 ALA H H 55 8.283 8.283 7.950 0.333 18302 5913 1 14 . 1 1 56 56 ILE N N 56 119.035 119.035 121.127 -2.092 18302 5914 1 14 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.984 -0.173 18302 5915 1 14 . 1 1 56 56 ILE C C 56 177.968 177.968 176.660 1.308 18302 5916 1 14 . 1 1 56 56 ILE CA C 56 65.950 65.950 62.839 3.111 18302 5917 1 14 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.769 -0.454 18302 5918 1 14 . 1 1 56 56 ILE H H 56 8.682 8.682 7.648 1.034 18302 5919 1 14 . 1 1 57 57 ASP N N 57 119.160 119.160 126.971 -7.811 18302 5920 1 14 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.509 -0.109 18302 5921 1 14 . 1 1 57 57 ASP C C 57 179.117 179.117 177.281 1.836 18302 5922 1 14 . 1 1 57 57 ASP CA C 57 53.690 53.690 55.814 -2.124 18302 5923 1 14 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.717 -1.077 18302 5924 1 14 . 1 1 57 57 ASP H H 57 8.393 8.393 9.808 -1.415 18302 5925 1 14 . 1 1 58 58 ALA N N 58 122.077 122.077 119.748 2.329 18302 5926 1 14 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.351 0.149 18302 5927 1 14 . 1 1 58 58 ALA C C 58 180.605 180.605 178.221 2.384 18302 5928 1 14 . 1 1 58 58 ALA CA C 58 54.968 54.968 52.457 2.511 18302 5929 1 14 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.357 -0.823 18302 5930 1 14 . 1 1 58 58 ALA H H 58 8.153 8.153 8.229 -0.076 18302 5931 1 14 . 1 1 59 59 ALA N N 59 123.120 123.120 121.212 1.908 18302 5932 1 14 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.950 0.096 18302 5933 1 14 . 1 1 59 59 ALA C C 59 180.385 180.385 177.880 2.505 18302 5934 1 14 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.589 2.340 18302 5935 1 14 . 1 1 59 59 ALA H H 59 8.807 8.807 8.527 0.280 18302 5936 1 14 . 1 1 60 60 ARG N N 60 119.705 119.705 121.349 -1.644 18302 5937 1 14 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.222 -0.234 18302 5938 1 14 . 1 1 60 60 ARG C C 60 179.348 179.348 177.391 1.957 18302 5939 1 14 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.328 3.280 18302 5940 1 14 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.600 -0.305 18302 5941 1 14 . 1 1 60 60 ARG H H 60 8.674 8.674 8.056 0.618 18302 5942 1 14 . 1 1 61 61 GLN N N 61 119.132 119.132 119.541 -0.409 18302 5943 1 14 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.980 0.116 18302 5944 1 14 . 1 1 61 61 GLN C C 61 177.615 177.615 174.268 3.347 18302 5945 1 14 . 1 1 61 61 GLN CA C 61 58.230 58.230 56.064 2.166 18302 5946 1 14 . 1 1 61 61 GLN H H 61 8.053 8.053 9.517 -1.464 18302 5947 1 14 . 1 1 62 62 ALA N N 62 120.910 120.910 118.590 2.320 18302 5948 1 14 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.195 -1.018 18302 5949 1 14 . 1 1 62 62 ALA C C 62 179.311 179.311 176.449 2.862 18302 5950 1 14 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.003 4.944 18302 5951 1 14 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.140 -3.604 18302 5952 1 14 . 1 1 62 62 ALA H H 62 7.920 7.920 7.153 0.767 18302 5953 1 14 . 1 1 63 63 LYS N N 63 117.863 117.863 122.072 -4.209 18302 5954 1 14 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.965 -0.809 18302 5955 1 14 . 1 1 63 63 LYS C C 63 178.324 178.324 176.003 2.321 18302 5956 1 14 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.151 4.736 18302 5957 1 14 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.663 -0.883 18302 5958 1 14 . 1 1 63 63 LYS H H 63 7.680 7.680 8.803 -1.123 18302 5959 1 14 . 1 1 64 64 LEU N N 64 119.697 119.697 128.205 -8.508 18302 5960 1 14 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.714 -0.521 18302 5961 1 14 . 1 1 64 64 LEU C C 64 178.459 178.459 178.469 -0.010 18302 5962 1 14 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.458 1.985 18302 5963 1 14 . 1 1 64 64 LEU CB C 64 42.161 42.161 44.284 -2.123 18302 5964 1 14 . 1 1 64 64 LEU H H 64 7.895 7.895 7.928 -0.033 18302 5965 1 14 . 1 1 65 65 MET N N 65 117.184 117.184 119.802 -2.618 18302 5966 1 14 . 1 1 65 65 MET HA H 65 4.472 4.472 4.397 0.075 18302 5967 1 14 . 1 1 65 65 MET C C 65 177.053 177.053 174.613 2.440 18302 5968 1 14 . 1 1 65 65 MET CA C 65 55.889 55.889 59.704 -3.815 18302 5969 1 14 . 1 1 65 65 MET CB C 65 33.010 33.010 30.118 2.892 18302 5970 1 14 . 1 1 65 65 MET H H 65 7.958 7.958 9.085 -1.127 18302 5971 1 14 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.194 0.656 18302 5972 1 14 . 1 1 66 66 GLY C C 66 174.137 174.137 175.985 -1.848 18302 5973 1 14 . 1 1 66 66 GLY CA C 66 45.590 45.590 46.597 -1.007 18302 5974 1 14 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.787 0.046 18302 5975 1 14 . 1 1 67 67 SER N N 67 115.622 115.622 113.692 1.930 18302 5976 1 14 . 1 1 67 67 SER HA H 67 4.472 4.472 4.000 0.472 18302 5977 1 14 . 1 1 67 67 SER C C 67 173.300 173.300 176.601 -3.301 18302 5978 1 14 . 1 1 67 67 SER CA C 67 58.182 58.182 61.642 -3.460 18302 5979 1 14 . 1 1 67 67 SER CB C 67 64.389 64.389 62.543 1.846 18302 5980 1 14 . 1 1 67 67 SER H H 67 8.127 8.127 8.269 -0.142 18302 5981 1 14 . 1 1 68 68 ALA N N 68 131.351 131.351 123.053 8.298 18302 5982 1 14 . 1 1 68 68 ALA HA H 68 4.200 4.200 4.015 0.185 18302 5983 1 14 . 1 1 68 68 ALA C C 68 176.792 176.792 176.989 -0.197 18302 5984 1 14 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.481 -1.365 18302 5985 1 14 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.551 0.697 18302 5986 1 14 . 1 1 68 68 ALA H H 68 7.984 7.984 7.749 0.235 18302 5987 1 14 . 1 1 69 69 LEU N N 69 119.986 119.986 118.774 1.212 18302 5988 1 14 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.974 -0.624 18302 5989 1 14 . 1 1 69 69 LEU C C 69 178.468 178.468 178.621 -0.153 18302 5990 1 14 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.284 0.635 18302 5991 1 14 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.327 -0.327 18302 5992 1 14 . 1 1 69 69 LEU H H 69 9.062 9.062 7.543 1.519 18302 5993 1 14 . 1 1 70 70 THR N N 70 114.834 114.834 115.262 -0.428 18302 5994 1 14 . 1 1 70 70 THR HA H 70 4.100 4.100 4.019 0.081 18302 5995 1 14 . 1 1 70 70 THR C C 70 176.391 176.391 176.658 -0.267 18302 5996 1 14 . 1 1 70 70 THR CA C 70 61.833 61.833 65.904 -4.072 18302 5997 1 14 . 1 1 70 70 THR CB C 70 68.267 68.267 68.882 -0.615 18302 5998 1 14 . 1 1 70 70 THR H H 70 7.710 7.710 8.005 -0.295 18302 5999 1 14 . 1 1 71 71 MET N N 71 120.233 120.233 121.265 -1.032 18302 6000 1 14 . 1 1 71 71 MET HA H 71 3.850 3.850 3.982 -0.132 18302 6001 1 14 . 1 1 71 71 MET C C 71 178.145 178.145 177.892 0.253 18302 6002 1 14 . 1 1 71 71 MET CA C 71 58.768 58.768 58.564 0.204 18302 6003 1 14 . 1 1 71 71 MET CB C 71 31.233 31.233 32.080 -0.847 18302 6004 1 14 . 1 1 71 71 MET H H 71 7.034 7.034 8.107 -1.073 18302 6005 1 14 . 1 1 72 72 MET N N 72 118.621 118.621 116.204 2.417 18302 6006 1 14 . 1 1 72 72 MET HA H 72 3.800 3.800 4.450 -0.650 18302 6007 1 14 . 1 1 72 72 MET C C 72 178.930 178.930 177.773 1.157 18302 6008 1 14 . 1 1 72 72 MET CA C 72 56.500 56.500 57.747 -1.247 18302 6009 1 14 . 1 1 72 72 MET CB C 72 32.733 32.733 32.566 0.167 18302 6010 1 14 . 1 1 72 72 MET H H 72 7.839 7.839 7.913 -0.074 18302 6011 1 14 . 1 1 73 73 ALA N N 73 120.567 120.567 122.874 -2.307 18302 6012 1 14 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.252 -0.117 18302 6013 1 14 . 1 1 73 73 ALA C C 73 179.332 179.332 178.134 1.198 18302 6014 1 14 . 1 1 73 73 ALA CA C 73 54.080 54.080 53.851 0.229 18302 6015 1 14 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.547 -0.094 18302 6016 1 14 . 1 1 73 73 ALA H H 73 8.240 8.240 8.173 0.067 18302 6017 1 14 . 1 1 74 74 ARG N N 74 116.784 116.784 113.725 3.059 18302 6018 1 14 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.470 -0.333 18302 6019 1 14 . 1 1 74 74 ARG C C 74 177.511 177.511 177.525 -0.014 18302 6020 1 14 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.285 1.311 18302 6021 1 14 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.086 0.320 18302 6022 1 14 . 1 1 74 74 ARG H H 74 7.382 7.382 7.461 -0.079 18302 6023 1 14 . 1 1 75 75 LYS N N 75 118.548 118.548 120.192 -1.644 18302 6024 1 14 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.113 0.193 18302 6025 1 14 . 1 1 75 75 LYS C C 75 176.937 176.937 177.845 -0.908 18302 6026 1 14 . 1 1 75 75 LYS CA C 75 55.000 55.000 57.794 -2.794 18302 6027 1 14 . 1 1 75 75 LYS CB C 75 32.750 32.750 32.308 0.442 18302 6028 1 14 . 1 1 75 75 LYS H H 75 7.732 7.732 7.712 0.020 18302 6029 1 14 . 1 1 76 76 MET N N 76 120.367 120.367 118.505 1.862 18302 6030 1 14 . 1 1 76 76 MET HA H 76 4.443 4.443 4.279 0.164 18302 6031 1 14 . 1 1 76 76 MET C C 76 175.539 175.539 176.776 -1.237 18302 6032 1 14 . 1 1 76 76 MET CA C 76 55.500 55.500 57.494 -1.994 18302 6033 1 14 . 1 1 76 76 MET CB C 76 32.733 32.733 33.222 -0.489 18302 6034 1 14 . 1 1 76 76 MET H H 76 7.863 7.863 8.253 -0.390 18302 6035 1 15 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.763 -0.147 18302 6036 1 15 . 1 1 2 2 ASP C C 2 175.975 175.975 176.530 -0.555 18302 6037 1 15 . 1 1 2 2 ASP CA C 2 54.666 54.666 53.744 0.922 18302 6038 1 15 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.465 -0.277 18302 6039 1 15 . 1 1 3 3 GLN N N 3 119.995 119.995 120.320 -0.325 18302 6040 1 15 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.071 0.312 18302 6041 1 15 . 1 1 3 3 GLN C C 3 175.927 175.927 176.019 -0.092 18302 6042 1 15 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.828 -3.175 18302 6043 1 15 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.104 0.130 18302 6044 1 15 . 1 1 3 3 GLN H H 3 8.414 8.414 8.247 0.167 18302 6045 1 15 . 1 1 4 4 LEU N N 4 123.586 123.586 121.211 2.375 18302 6046 1 15 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.165 0.505 18302 6047 1 15 . 1 1 4 4 LEU C C 4 177.983 177.983 177.103 0.880 18302 6048 1 15 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.752 -2.086 18302 6049 1 15 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.190 1.342 18302 6050 1 15 . 1 1 4 4 LEU H H 4 8.352 8.352 8.543 -0.191 18302 6051 1 15 . 1 1 5 5 THR N N 5 113.292 113.292 111.625 1.667 18302 6052 1 15 . 1 1 5 5 THR HA H 5 4.470 4.470 4.374 0.096 18302 6053 1 15 . 1 1 5 5 THR C C 5 175.729 175.729 174.142 1.587 18302 6054 1 15 . 1 1 5 5 THR CA C 5 60.526 60.526 61.776 -1.250 18302 6055 1 15 . 1 1 5 5 THR CB C 5 71.541 71.541 69.831 1.710 18302 6056 1 15 . 1 1 5 5 THR H H 5 8.735 8.735 7.885 0.850 18302 6057 1 15 . 1 1 6 6 GLU N N 6 120.507 120.507 122.355 -1.848 18302 6058 1 15 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.985 0.006 18302 6059 1 15 . 1 1 6 6 GLU C C 6 179.816 179.816 177.739 2.077 18302 6060 1 15 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.533 -0.593 18302 6061 1 15 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.696 -0.462 18302 6062 1 15 . 1 1 6 6 GLU H H 6 9.060 9.060 8.841 0.219 18302 6063 1 15 . 1 1 7 7 GLU N N 7 120.000 120.000 119.350 0.650 18302 6064 1 15 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.905 0.180 18302 6065 1 15 . 1 1 7 7 GLU C C 7 179.588 179.588 178.699 0.889 18302 6066 1 15 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.583 0.357 18302 6067 1 15 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.871 -0.038 18302 6068 1 15 . 1 1 7 7 GLU H H 7 8.770 8.770 8.697 0.073 18302 6069 1 15 . 1 1 8 8 GLN N N 8 120.798 120.798 119.161 1.637 18302 6070 1 15 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.032 -0.202 18302 6071 1 15 . 1 1 8 8 GLN C C 8 178.179 178.179 179.038 -0.859 18302 6072 1 15 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.949 -0.629 18302 6073 1 15 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.146 1.087 18302 6074 1 15 . 1 1 8 8 GLN H H 8 7.755 7.755 8.277 -0.522 18302 6075 1 15 . 1 1 9 9 ILE N N 9 119.028 119.028 115.933 3.095 18302 6076 1 15 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.959 -0.359 18302 6077 1 15 . 1 1 9 9 ILE C C 9 178.147 178.147 177.844 0.303 18302 6078 1 15 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.986 1.634 18302 6079 1 15 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.205 0.447 18302 6080 1 15 . 1 1 9 9 ILE H H 9 8.253 8.253 7.560 0.693 18302 6081 1 15 . 1 1 10 10 ALA N N 10 120.587 120.587 122.524 -1.937 18302 6082 1 15 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.897 0.243 18302 6083 1 15 . 1 1 10 10 ALA C C 10 181.279 181.279 179.460 1.819 18302 6084 1 15 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.146 0.106 18302 6085 1 15 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.872 -0.372 18302 6086 1 15 . 1 1 10 10 ALA H H 10 8.051 8.051 7.932 0.119 18302 6087 1 15 . 1 1 11 11 GLU N N 11 120.436 120.436 120.527 -0.091 18302 6088 1 15 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.025 0.170 18302 6089 1 15 . 1 1 11 11 GLU C C 11 180.542 180.542 178.727 1.815 18302 6090 1 15 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.305 0.049 18302 6091 1 15 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.857 -0.623 18302 6092 1 15 . 1 1 11 11 GLU H H 11 7.795 7.795 8.557 -0.762 18302 6093 1 15 . 1 1 12 12 PHE N N 12 120.654 120.654 120.018 0.636 18302 6094 1 15 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.342 0.708 18302 6095 1 15 . 1 1 12 12 PHE C C 12 179.155 179.155 177.129 2.026 18302 6096 1 15 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.361 -1.601 18302 6097 1 15 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.815 -1.815 18302 6098 1 15 . 1 1 12 12 PHE H H 12 8.541 8.541 8.531 0.010 18302 6099 1 15 . 1 1 13 13 LYS N N 13 123.600 123.600 120.092 3.508 18302 6100 1 15 . 1 1 13 13 LYS HA H 13 3.993 3.993 2.913 1.080 18302 6101 1 15 . 1 1 13 13 LYS C C 13 179.523 179.523 178.524 0.999 18302 6102 1 15 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.179 0.761 18302 6103 1 15 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.544 0.189 18302 6104 1 15 . 1 1 13 13 LYS H H 13 9.279 9.279 7.583 1.696 18302 6105 1 15 . 1 1 14 14 GLU N N 14 121.150 121.150 118.796 2.354 18302 6106 1 15 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.886 0.235 18302 6107 1 15 . 1 1 14 14 GLU C C 14 179.859 179.859 178.709 1.150 18302 6108 1 15 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.121 0.233 18302 6109 1 15 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.361 0.372 18302 6110 1 15 . 1 1 14 14 GLU H H 14 8.036 8.036 7.717 0.319 18302 6111 1 15 . 1 1 15 15 ALA N N 15 122.010 122.010 121.833 0.177 18302 6112 1 15 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.839 0.510 18302 6113 1 15 . 1 1 15 15 ALA C C 15 178.785 178.785 179.312 -0.527 18302 6114 1 15 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.822 0.430 18302 6115 1 15 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.357 -0.357 18302 6116 1 15 . 1 1 15 15 ALA H H 15 8.034 8.034 7.657 0.377 18302 6117 1 15 . 1 1 16 16 PHE N N 16 119.032 119.032 118.814 0.218 18302 6118 1 15 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.933 -0.633 18302 6119 1 15 . 1 1 16 16 PHE C C 16 178.534 178.534 177.009 1.525 18302 6120 1 15 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.622 2.378 18302 6121 1 15 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.410 1.590 18302 6122 1 15 . 1 1 16 16 PHE H H 16 8.633 8.633 8.475 0.158 18302 6123 1 15 . 1 1 17 17 SER N N 17 113.786 113.786 114.981 -1.195 18302 6124 1 15 . 1 1 17 17 SER HA H 17 4.100 4.100 3.137 0.963 18302 6125 1 15 . 1 1 17 17 SER C C 17 174.639 174.639 176.346 -1.707 18302 6126 1 15 . 1 1 17 17 SER CA C 17 61.500 61.500 61.225 0.275 18302 6127 1 15 . 1 1 17 17 SER CB C 17 63.500 63.500 62.737 0.763 18302 6128 1 15 . 1 1 17 17 SER H H 17 8.215 8.215 7.625 0.590 18302 6129 1 15 . 1 1 18 18 LEU N N 18 120.113 120.113 120.397 -0.284 18302 6130 1 15 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.779 0.102 18302 6131 1 15 . 1 1 18 18 LEU C C 18 177.151 177.151 178.554 -1.403 18302 6132 1 15 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.144 -0.644 18302 6133 1 15 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.666 -0.166 18302 6134 1 15 . 1 1 18 18 LEU H H 18 7.417 7.417 7.101 0.316 18302 6135 1 15 . 1 1 19 19 PHE N N 19 112.070 112.070 116.569 -4.499 18302 6136 1 15 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.172 0.228 18302 6137 1 15 . 1 1 19 19 PHE C C 19 175.699 175.699 176.867 -1.168 18302 6138 1 15 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.447 -1.047 18302 6139 1 15 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.996 2.904 18302 6140 1 15 . 1 1 19 19 PHE H H 19 7.043 7.043 7.242 -0.199 18302 6141 1 15 . 1 1 20 20 ASP N N 20 116.223 116.223 119.735 -3.512 18302 6142 1 15 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.750 -0.150 18302 6143 1 15 . 1 1 20 20 ASP C C 20 177.625 177.625 177.311 0.314 18302 6144 1 15 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.268 -1.946 18302 6145 1 15 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.552 -0.122 18302 6146 1 15 . 1 1 20 20 ASP H H 20 7.484 7.484 7.984 -0.500 18302 6147 1 15 . 1 1 21 21 LYS N N 21 124.544 124.544 122.741 1.803 18302 6148 1 15 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.934 0.066 18302 6149 1 15 . 1 1 21 21 LYS C C 21 178.513 178.513 177.780 0.733 18302 6150 1 15 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.355 -0.655 18302 6151 1 15 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.960 2.240 18302 6152 1 15 . 1 1 21 21 LYS H H 21 7.601 7.601 8.630 -1.029 18302 6153 1 15 . 1 1 22 22 ASP N N 22 114.320 114.320 115.207 -0.887 18302 6154 1 15 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.471 0.163 18302 6155 1 15 . 1 1 22 22 ASP C C 22 178.039 178.039 177.667 0.372 18302 6156 1 15 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.155 -1.247 18302 6157 1 15 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.868 0.148 18302 6158 1 15 . 1 1 22 22 ASP H H 22 8.241 8.241 8.253 -0.012 18302 6159 1 15 . 1 1 23 23 GLY N N 23 109.478 109.478 109.322 0.156 18302 6160 1 15 . 1 1 23 23 GLY C C 23 175.427 175.427 174.879 0.548 18302 6161 1 15 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.018 1.030 18302 6162 1 15 . 1 1 23 23 GLY H H 23 7.680 7.680 8.205 -0.525 18302 6163 1 15 . 1 1 24 24 ASP N N 24 121.007 121.007 119.854 1.153 18302 6164 1 15 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.588 -0.088 18302 6165 1 15 . 1 1 24 24 ASP C C 24 177.660 177.660 177.789 -0.129 18302 6166 1 15 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.211 0.869 18302 6167 1 15 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.184 -0.583 18302 6168 1 15 . 1 1 24 24 ASP H H 24 8.523 8.523 8.399 0.124 18302 6169 1 15 . 1 1 25 25 GLY N N 25 112.961 112.961 109.513 3.448 18302 6170 1 15 . 1 1 25 25 GLY C C 25 174.198 174.198 173.812 0.386 18302 6171 1 15 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.432 -0.142 18302 6172 1 15 . 1 1 25 25 GLY H H 25 10.539 10.539 9.188 1.351 18302 6173 1 15 . 1 1 26 26 THR N N 26 112.593 112.593 110.412 2.181 18302 6174 1 15 . 1 1 26 26 THR HA H 26 5.560 5.560 5.089 0.471 18302 6175 1 15 . 1 1 26 26 THR C C 26 173.991 173.991 172.873 1.118 18302 6176 1 15 . 1 1 26 26 THR CA C 26 59.500 59.500 59.596 -0.096 18302 6177 1 15 . 1 1 26 26 THR CB C 26 73.299 73.299 72.772 0.527 18302 6178 1 15 . 1 1 26 26 THR H H 26 8.304 8.304 8.387 -0.083 18302 6179 1 15 . 1 1 27 27 ILE N N 27 126.868 126.868 121.133 5.735 18302 6180 1 15 . 1 1 27 27 ILE HA H 27 4.750 4.750 5.048 -0.298 18302 6181 1 15 . 1 1 27 27 ILE C C 27 176.338 176.338 175.890 0.448 18302 6182 1 15 . 1 1 27 27 ILE CA C 27 61.112 61.112 59.747 1.365 18302 6183 1 15 . 1 1 27 27 ILE CB C 27 40.000 40.000 41.070 -1.070 18302 6184 1 15 . 1 1 27 27 ILE H H 27 9.988 9.988 8.203 1.785 18302 6185 1 15 . 1 1 28 28 THR N N 28 116.237 116.237 121.417 -5.180 18302 6186 1 15 . 1 1 28 28 THR HA H 28 4.850 4.850 4.963 -0.113 18302 6187 1 15 . 1 1 28 28 THR C C 28 176.422 176.422 175.975 0.447 18302 6188 1 15 . 1 1 28 28 THR CA C 28 59.000 59.000 60.824 -1.824 18302 6189 1 15 . 1 1 28 28 THR CB C 28 72.713 72.713 71.481 1.232 18302 6190 1 15 . 1 1 28 28 THR H H 28 8.233 8.233 8.779 -0.546 18302 6191 1 15 . 1 1 29 29 THR N N 29 114.660 114.660 119.417 -4.757 18302 6192 1 15 . 1 1 29 29 THR HA H 29 3.800 3.800 3.988 -0.188 18302 6193 1 15 . 1 1 29 29 THR C C 29 177.772 177.772 176.623 1.149 18302 6194 1 15 . 1 1 29 29 THR CA C 29 66.767 66.767 67.425 -0.658 18302 6195 1 15 . 1 1 29 29 THR CB C 29 68.611 68.611 68.851 -0.240 18302 6196 1 15 . 1 1 29 29 THR H H 29 9.316 9.316 8.940 0.376 18302 6197 1 15 . 1 1 30 30 LYS N N 30 121.300 121.300 121.184 0.116 18302 6198 1 15 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.016 0.112 18302 6199 1 15 . 1 1 30 30 LYS C C 30 180.194 180.194 178.467 1.727 18302 6200 1 15 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.037 -0.683 18302 6201 1 15 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.949 0.215 18302 6202 1 15 . 1 1 30 30 LYS H H 30 7.900 7.900 8.546 -0.646 18302 6203 1 15 . 1 1 31 31 GLU N N 31 122.184 122.184 119.182 3.002 18302 6204 1 15 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.017 -0.017 18302 6205 1 15 . 1 1 31 31 GLU C C 31 178.964 178.964 179.059 -0.095 18302 6206 1 15 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.815 0.126 18302 6207 1 15 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.379 0.441 18302 6208 1 15 . 1 1 31 31 GLU H H 31 7.900 7.900 8.375 -0.475 18302 6209 1 15 . 1 1 32 32 LEU N N 32 120.000 120.000 120.379 -0.379 18302 6210 1 15 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.149 0.001 18302 6211 1 15 . 1 1 32 32 LEU C C 32 179.190 179.190 178.762 0.428 18302 6212 1 15 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.083 0.099 18302 6213 1 15 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.633 0.728 18302 6214 1 15 . 1 1 32 32 LEU H H 32 8.600 8.600 8.036 0.564 18302 6215 1 15 . 1 1 33 33 GLY N N 33 105.412 105.412 105.878 -0.466 18302 6216 1 15 . 1 1 33 33 GLY C C 33 175.371 175.371 176.076 -0.705 18302 6217 1 15 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.775 1.032 18302 6218 1 15 . 1 1 33 33 GLY H H 33 8.730 8.730 8.448 0.282 18302 6219 1 15 . 1 1 34 34 THR N N 34 118.762 118.762 119.303 -0.541 18302 6220 1 15 . 1 1 34 34 THR HA H 34 3.950 3.950 4.017 -0.067 18302 6221 1 15 . 1 1 34 34 THR C C 34 177.681 177.681 176.856 0.825 18302 6222 1 15 . 1 1 34 34 THR CA C 34 66.767 66.767 67.054 -0.287 18302 6223 1 15 . 1 1 34 34 THR CB C 34 69.197 69.197 68.482 0.715 18302 6224 1 15 . 1 1 34 34 THR H H 34 8.104 8.104 8.187 -0.083 18302 6225 1 15 . 1 1 35 35 VAL N N 35 122.943 122.943 122.611 0.332 18302 6226 1 15 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.843 -0.173 18302 6227 1 15 . 1 1 35 35 VAL C C 35 179.691 179.691 178.799 0.892 18302 6228 1 15 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.405 0.162 18302 6229 1 15 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.088 0.745 18302 6230 1 15 . 1 1 35 35 VAL H H 35 8.230 8.230 7.787 0.443 18302 6231 1 15 . 1 1 36 36 MET N N 36 118.074 118.074 117.877 0.197 18302 6232 1 15 . 1 1 36 36 MET HA H 36 4.124 4.124 4.222 -0.098 18302 6233 1 15 . 1 1 36 36 MET C C 36 179.518 179.518 178.590 0.928 18302 6234 1 15 . 1 1 36 36 MET CA C 36 58.400 58.400 57.771 0.629 18302 6235 1 15 . 1 1 36 36 MET CB C 36 31.233 31.233 31.363 -0.130 18302 6236 1 15 . 1 1 36 36 MET H H 36 8.746 8.746 8.488 0.258 18302 6237 1 15 . 1 1 37 37 ARG N N 37 118.931 118.931 120.804 -1.873 18302 6238 1 15 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.277 0.573 18302 6239 1 15 . 1 1 37 37 ARG C C 37 181.608 181.608 179.439 2.169 18302 6240 1 15 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.479 -0.125 18302 6241 1 15 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.488 -0.668 18302 6242 1 15 . 1 1 37 37 ARG H H 37 8.559 8.559 8.589 -0.030 18302 6243 1 15 . 1 1 38 38 SER N N 38 119.164 119.164 117.293 1.871 18302 6244 1 15 . 1 1 38 38 SER HA H 38 4.445 4.445 4.232 0.213 18302 6245 1 15 . 1 1 38 38 SER C C 38 175.212 175.212 175.788 -0.576 18302 6246 1 15 . 1 1 38 38 SER CA C 38 61.698 61.698 61.369 0.329 18302 6247 1 15 . 1 1 38 38 SER CB C 38 62.733 62.733 62.598 0.135 18302 6248 1 15 . 1 1 38 38 SER H H 38 8.075 8.075 8.523 -0.448 18302 6249 1 15 . 1 1 39 39 LEU N N 39 120.667 120.667 120.213 0.454 18302 6250 1 15 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.427 -0.197 18302 6251 1 15 . 1 1 39 39 LEU C C 39 177.740 177.740 177.562 0.178 18302 6252 1 15 . 1 1 39 39 LEU CA C 39 54.303 54.303 54.956 -0.653 18302 6253 1 15 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.128 -0.354 18302 6254 1 15 . 1 1 39 39 LEU H H 39 7.419 7.419 7.260 0.159 18302 6255 1 15 . 1 1 40 40 GLY N N 40 107.175 107.175 106.295 0.880 18302 6256 1 15 . 1 1 40 40 GLY C C 40 174.723 174.723 174.257 0.466 18302 6257 1 15 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.551 0.949 18302 6258 1 15 . 1 1 40 40 GLY H H 40 7.900 7.900 8.182 -0.282 18302 6259 1 15 . 1 1 41 41 GLN N N 41 117.918 117.918 120.671 -2.753 18302 6260 1 15 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.410 -0.280 18302 6261 1 15 . 1 1 41 41 GLN C C 41 174.428 174.428 176.267 -1.839 18302 6262 1 15 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.145 0.855 18302 6263 1 15 . 1 1 41 41 GLN CB C 41 29.820 29.820 28.774 1.046 18302 6264 1 15 . 1 1 41 41 GLN H H 41 7.746 7.746 7.741 0.005 18302 6265 1 15 . 1 1 42 42 ASN N N 42 119.000 119.000 124.665 -5.665 18302 6266 1 15 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.563 0.037 18302 6267 1 15 . 1 1 42 42 ASN H H 42 8.250 8.250 8.621 -0.371 18302 6268 1 15 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.299 0.901 18302 6269 1 15 . 1 1 43 43 PRO C C 43 177.909 177.909 176.328 1.581 18302 6270 1 15 . 1 1 43 43 PRO CA C 43 62.284 62.284 64.405 -2.121 18302 6271 1 15 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.962 -0.229 18302 6272 1 15 . 1 1 44 44 THR N N 44 113.390 113.390 118.250 -4.860 18302 6273 1 15 . 1 1 44 44 THR HA H 44 4.450 4.450 4.428 0.022 18302 6274 1 15 . 1 1 44 44 THR C C 44 175.483 175.483 175.200 0.283 18302 6275 1 15 . 1 1 44 44 THR CA C 44 60.526 60.526 62.357 -1.831 18302 6276 1 15 . 1 1 44 44 THR CB C 44 71.541 71.541 68.780 2.761 18302 6277 1 15 . 1 1 44 44 THR H H 44 8.982 8.982 8.232 0.750 18302 6278 1 15 . 1 1 45 45 GLU N N 45 120.632 120.632 121.389 -0.757 18302 6279 1 15 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.003 -0.053 18302 6280 1 15 . 1 1 45 45 GLU C C 45 179.348 179.348 177.935 1.413 18302 6281 1 15 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.976 0.024 18302 6282 1 15 . 1 1 45 45 GLU CB C 45 29.733 29.733 28.898 0.834 18302 6283 1 15 . 1 1 45 45 GLU H H 45 8.854 8.854 8.707 0.147 18302 6284 1 15 . 1 1 46 46 THR N N 46 121.035 121.035 121.281 -0.246 18302 6285 1 15 . 1 1 46 46 THR HA H 46 4.121 4.121 4.412 -0.291 18302 6286 1 15 . 1 1 46 46 THR C C 46 175.463 175.463 176.857 -1.394 18302 6287 1 15 . 1 1 46 46 THR CA C 46 62.324 62.324 64.470 -2.146 18302 6288 1 15 . 1 1 46 46 THR CB C 46 70.088 70.088 68.150 1.938 18302 6289 1 15 . 1 1 46 46 THR H H 46 8.295 8.295 8.240 0.055 18302 6290 1 15 . 1 1 47 47 GLY N N 47 111.232 111.232 108.522 2.710 18302 6291 1 15 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.062 -0.126 18302 6292 1 15 . 1 1 47 47 GLY C C 47 174.998 174.998 177.088 -2.090 18302 6293 1 15 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.684 -1.763 18302 6294 1 15 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.276 0.544 18302 6295 1 15 . 1 1 47 47 GLY H H 47 8.720 8.720 7.705 1.015 18302 6296 1 15 . 1 1 48 48 ALA N N 48 124.417 124.417 121.530 2.887 18302 6297 1 15 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.944 0.338 18302 6298 1 15 . 1 1 48 48 ALA C C 48 177.866 177.866 179.878 -2.012 18302 6299 1 15 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.655 -1.830 18302 6300 1 15 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.382 1.005 18302 6301 1 15 . 1 1 48 48 ALA H H 48 8.365 8.365 7.584 0.781 18302 6302 1 15 . 1 1 49 49 ALA N N 49 122.129 122.129 121.359 0.770 18302 6303 1 15 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.885 0.361 18302 6304 1 15 . 1 1 49 49 ALA C C 49 178.647 178.647 180.254 -1.607 18302 6305 1 15 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.387 -2.216 18302 6306 1 15 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.607 -2.458 18302 6307 1 15 . 1 1 49 49 ALA H H 49 8.318 8.318 7.689 0.629 18302 6308 1 15 . 1 1 50 50 LEU N N 50 120.817 120.817 119.952 0.865 18302 6309 1 15 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.201 -0.076 18302 6310 1 15 . 1 1 50 50 LEU C C 50 177.367 177.367 178.631 -1.264 18302 6311 1 15 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.126 -1.400 18302 6312 1 15 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.208 -0.108 18302 6313 1 15 . 1 1 50 50 LEU H H 50 8.126 8.126 7.726 0.400 18302 6314 1 15 . 1 1 51 51 SER N N 51 116.273 116.273 115.113 1.160 18302 6315 1 15 . 1 1 51 51 SER HA H 51 4.057 4.057 4.087 -0.030 18302 6316 1 15 . 1 1 51 51 SER C C 51 175.939 175.939 176.841 -0.902 18302 6317 1 15 . 1 1 51 51 SER CA C 51 61.429 61.429 60.657 0.772 18302 6318 1 15 . 1 1 51 51 SER CB C 51 28.648 28.648 32.341 -3.693 18302 6319 1 15 . 1 1 51 51 SER H H 51 7.917 7.917 8.144 -0.227 18302 6320 1 15 . 1 1 52 52 TRP N N 52 123.132 123.132 119.788 3.344 18302 6321 1 15 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.065 0.532 18302 6322 1 15 . 1 1 52 52 TRP C C 52 178.377 178.377 177.829 0.548 18302 6323 1 15 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.221 0.444 18302 6324 1 15 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.178 0.210 18302 6325 1 15 . 1 1 52 52 TRP H H 52 8.732 8.732 8.652 0.080 18302 6326 1 15 . 1 1 53 53 GLN N N 53 117.115 117.115 116.894 0.221 18302 6327 1 15 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.977 -0.008 18302 6328 1 15 . 1 1 53 53 GLN C C 53 177.779 177.779 177.133 0.646 18302 6329 1 15 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.638 0.695 18302 6330 1 15 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.502 -0.352 18302 6331 1 15 . 1 1 53 53 GLN H H 53 8.480 8.480 7.767 0.713 18302 6332 1 15 . 1 1 54 54 ALA N N 54 120.557 120.557 119.772 0.785 18302 6333 1 15 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.393 -0.125 18302 6334 1 15 . 1 1 54 54 ALA C C 54 181.023 181.023 179.087 1.936 18302 6335 1 15 . 1 1 54 54 ALA CA C 54 54.640 54.640 53.577 1.063 18302 6336 1 15 . 1 1 54 54 ALA CB C 54 18.609 18.609 20.512 -1.903 18302 6337 1 15 . 1 1 54 54 ALA H H 54 8.003 8.003 7.412 0.591 18302 6338 1 15 . 1 1 55 55 ALA N N 55 122.442 122.442 119.822 2.620 18302 6339 1 15 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.300 -0.183 18302 6340 1 15 . 1 1 55 55 ALA C C 55 179.069 179.069 177.133 1.936 18302 6341 1 15 . 1 1 55 55 ALA CA C 55 55.478 55.478 52.247 3.231 18302 6342 1 15 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.297 -0.062 18302 6343 1 15 . 1 1 55 55 ALA H H 55 8.283 8.283 7.592 0.691 18302 6344 1 15 . 1 1 56 56 ILE N N 56 119.035 119.035 120.497 -1.462 18302 6345 1 15 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.077 -0.266 18302 6346 1 15 . 1 1 56 56 ILE C C 56 177.968 177.968 176.747 1.221 18302 6347 1 15 . 1 1 56 56 ILE CA C 56 65.950 65.950 62.643 3.307 18302 6348 1 15 . 1 1 56 56 ILE CB C 56 38.315 38.315 39.214 -0.899 18302 6349 1 15 . 1 1 56 56 ILE H H 56 8.682 8.682 7.633 1.049 18302 6350 1 15 . 1 1 57 57 ASP N N 57 119.160 119.160 118.932 0.228 18302 6351 1 15 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.245 0.155 18302 6352 1 15 . 1 1 57 57 ASP C C 57 179.117 179.117 176.123 2.994 18302 6353 1 15 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.539 -2.849 18302 6354 1 15 . 1 1 57 57 ASP CB C 57 40.640 40.640 38.526 2.114 18302 6355 1 15 . 1 1 57 57 ASP H H 57 8.393 8.393 8.200 0.193 18302 6356 1 15 . 1 1 58 58 ALA N N 58 122.077 122.077 122.835 -0.758 18302 6357 1 15 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.410 0.090 18302 6358 1 15 . 1 1 58 58 ALA C C 58 180.605 180.605 178.221 2.384 18302 6359 1 15 . 1 1 58 58 ALA CA C 58 54.968 54.968 52.098 2.870 18302 6360 1 15 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.841 -1.307 18302 6361 1 15 . 1 1 58 58 ALA H H 58 8.153 8.153 8.055 0.098 18302 6362 1 15 . 1 1 59 59 ALA N N 59 123.120 123.120 121.789 1.331 18302 6363 1 15 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.937 0.109 18302 6364 1 15 . 1 1 59 59 ALA C C 59 180.385 180.385 178.083 2.302 18302 6365 1 15 . 1 1 59 59 ALA CA C 59 54.929 54.929 53.015 1.914 18302 6366 1 15 . 1 1 59 59 ALA H H 59 8.807 8.807 8.113 0.694 18302 6367 1 15 . 1 1 60 60 ARG N N 60 119.705 119.705 119.962 -0.257 18302 6368 1 15 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.214 -0.226 18302 6369 1 15 . 1 1 60 60 ARG C C 60 179.348 179.348 177.336 2.012 18302 6370 1 15 . 1 1 60 60 ARG CA C 60 59.608 59.608 57.026 2.582 18302 6371 1 15 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.564 -0.269 18302 6372 1 15 . 1 1 60 60 ARG H H 60 8.674 8.674 8.777 -0.103 18302 6373 1 15 . 1 1 61 61 GLN N N 61 119.132 119.132 116.731 2.401 18302 6374 1 15 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.987 0.109 18302 6375 1 15 . 1 1 61 61 GLN C C 61 177.615 177.615 174.562 3.053 18302 6376 1 15 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.741 2.489 18302 6377 1 15 . 1 1 61 61 GLN H H 61 8.053 8.053 8.771 -0.718 18302 6378 1 15 . 1 1 62 62 ALA N N 62 120.910 120.910 119.756 1.154 18302 6379 1 15 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.407 -1.230 18302 6380 1 15 . 1 1 62 62 ALA C C 62 179.311 179.311 176.844 2.467 18302 6381 1 15 . 1 1 62 62 ALA CA C 62 53.947 53.947 48.849 5.098 18302 6382 1 15 . 1 1 62 62 ALA CB C 62 18.536 18.536 21.995 -3.459 18302 6383 1 15 . 1 1 62 62 ALA H H 62 7.920 7.920 7.768 0.152 18302 6384 1 15 . 1 1 63 63 LYS N N 63 117.863 117.863 122.573 -4.710 18302 6385 1 15 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.563 -0.407 18302 6386 1 15 . 1 1 63 63 LYS C C 63 178.324 178.324 176.207 2.117 18302 6387 1 15 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.541 4.346 18302 6388 1 15 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.455 -0.675 18302 6389 1 15 . 1 1 63 63 LYS H H 63 7.680 7.680 8.493 -0.813 18302 6390 1 15 . 1 1 64 64 LEU N N 64 119.697 119.697 128.560 -8.863 18302 6391 1 15 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.680 -0.487 18302 6392 1 15 . 1 1 64 64 LEU C C 64 178.459 178.459 178.286 0.173 18302 6393 1 15 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.327 2.116 18302 6394 1 15 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.428 -1.267 18302 6395 1 15 . 1 1 64 64 LEU H H 64 7.895 7.895 8.509 -0.614 18302 6396 1 15 . 1 1 65 65 MET N N 65 117.184 117.184 119.887 -2.703 18302 6397 1 15 . 1 1 65 65 MET HA H 65 4.472 4.472 4.308 0.164 18302 6398 1 15 . 1 1 65 65 MET C C 65 177.053 177.053 175.881 1.172 18302 6399 1 15 . 1 1 65 65 MET CA C 65 55.889 55.889 60.689 -4.800 18302 6400 1 15 . 1 1 65 65 MET CB C 65 33.010 33.010 29.978 3.032 18302 6401 1 15 . 1 1 65 65 MET H H 65 7.958 7.958 9.285 -1.327 18302 6402 1 15 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.952 -0.102 18302 6403 1 15 . 1 1 66 66 GLY C C 66 174.137 174.137 175.984 -1.847 18302 6404 1 15 . 1 1 66 66 GLY CA C 66 45.590 45.590 48.042 -2.452 18302 6405 1 15 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.784 0.049 18302 6406 1 15 . 1 1 67 67 SER N N 67 115.622 115.622 113.692 1.930 18302 6407 1 15 . 1 1 67 67 SER HA H 67 4.472 4.472 4.114 0.358 18302 6408 1 15 . 1 1 67 67 SER C C 67 173.300 173.300 176.825 -3.525 18302 6409 1 15 . 1 1 67 67 SER CA C 67 58.182 58.182 61.295 -3.113 18302 6410 1 15 . 1 1 67 67 SER CB C 67 64.389 64.389 62.304 2.085 18302 6411 1 15 . 1 1 67 67 SER H H 67 8.127 8.127 8.499 -0.372 18302 6412 1 15 . 1 1 68 68 ALA N N 68 131.351 131.351 123.311 8.040 18302 6413 1 15 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.934 0.266 18302 6414 1 15 . 1 1 68 68 ALA C C 68 176.792 176.792 177.663 -0.871 18302 6415 1 15 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.035 -0.919 18302 6416 1 15 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.288 0.960 18302 6417 1 15 . 1 1 68 68 ALA H H 68 7.984 7.984 7.547 0.437 18302 6418 1 15 . 1 1 69 69 LEU N N 69 119.986 119.986 119.375 0.611 18302 6419 1 15 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.750 -0.400 18302 6420 1 15 . 1 1 69 69 LEU C C 69 178.468 178.468 178.676 -0.208 18302 6421 1 15 . 1 1 69 69 LEU CA C 69 57.919 57.919 58.077 -0.158 18302 6422 1 15 . 1 1 69 69 LEU CB C 69 41.000 41.000 40.588 0.412 18302 6423 1 15 . 1 1 69 69 LEU H H 69 9.062 9.062 7.425 1.637 18302 6424 1 15 . 1 1 70 70 THR N N 70 114.834 114.834 115.919 -1.085 18302 6425 1 15 . 1 1 70 70 THR HA H 70 4.100 4.100 4.029 0.071 18302 6426 1 15 . 1 1 70 70 THR C C 70 176.391 176.391 176.855 -0.464 18302 6427 1 15 . 1 1 70 70 THR CA C 70 61.833 61.833 66.333 -4.500 18302 6428 1 15 . 1 1 70 70 THR CB C 70 68.267 68.267 68.830 -0.563 18302 6429 1 15 . 1 1 70 70 THR H H 70 7.710 7.710 8.031 -0.321 18302 6430 1 15 . 1 1 71 71 MET N N 71 120.233 120.233 121.229 -0.996 18302 6431 1 15 . 1 1 71 71 MET HA H 71 3.850 3.850 3.965 -0.115 18302 6432 1 15 . 1 1 71 71 MET C C 71 178.145 178.145 177.589 0.556 18302 6433 1 15 . 1 1 71 71 MET CA C 71 58.768 58.768 58.498 0.270 18302 6434 1 15 . 1 1 71 71 MET CB C 71 31.233 31.233 32.213 -0.980 18302 6435 1 15 . 1 1 71 71 MET H H 71 7.034 7.034 7.967 -0.933 18302 6436 1 15 . 1 1 72 72 MET N N 72 118.621 118.621 115.875 2.746 18302 6437 1 15 . 1 1 72 72 MET HA H 72 3.800 3.800 4.397 -0.597 18302 6438 1 15 . 1 1 72 72 MET C C 72 178.930 178.930 177.073 1.857 18302 6439 1 15 . 1 1 72 72 MET CA C 72 56.500 56.500 56.575 -0.075 18302 6440 1 15 . 1 1 72 72 MET CB C 72 32.733 32.733 31.954 0.779 18302 6441 1 15 . 1 1 72 72 MET H H 72 7.839 7.839 7.815 0.024 18302 6442 1 15 . 1 1 73 73 ALA N N 73 120.567 120.567 122.994 -2.427 18302 6443 1 15 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.094 0.041 18302 6444 1 15 . 1 1 73 73 ALA C C 73 179.332 179.332 178.825 0.507 18302 6445 1 15 . 1 1 73 73 ALA CA C 73 54.080 54.080 54.329 -0.249 18302 6446 1 15 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.689 -0.236 18302 6447 1 15 . 1 1 73 73 ALA H H 73 8.240 8.240 7.958 0.282 18302 6448 1 15 . 1 1 74 74 ARG N N 74 116.784 116.784 118.141 -1.357 18302 6449 1 15 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.045 0.092 18302 6450 1 15 . 1 1 74 74 ARG C C 74 177.511 177.511 176.866 0.645 18302 6451 1 15 . 1 1 74 74 ARG CA C 74 57.596 57.596 57.847 -0.251 18302 6452 1 15 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.398 0.007 18302 6453 1 15 . 1 1 74 74 ARG H H 74 7.382 7.382 7.498 -0.116 18302 6454 1 15 . 1 1 75 75 LYS N N 75 118.548 118.548 117.942 0.606 18302 6455 1 15 . 1 1 75 75 LYS HA H 75 4.306 4.306 3.940 0.366 18302 6456 1 15 . 1 1 75 75 LYS C C 75 176.937 176.937 175.497 1.440 18302 6457 1 15 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.616 -1.616 18302 6458 1 15 . 1 1 75 75 LYS CB C 75 32.750 32.750 31.581 1.169 18302 6459 1 15 . 1 1 75 75 LYS H H 75 7.732 7.732 8.226 -0.494 18302 6460 1 15 . 1 1 76 76 MET N N 76 120.367 120.367 116.700 3.667 18302 6461 1 15 . 1 1 76 76 MET HA H 76 4.443 4.443 4.270 0.173 18302 6462 1 15 . 1 1 76 76 MET C C 76 175.539 175.539 175.387 0.152 18302 6463 1 15 . 1 1 76 76 MET CA C 76 55.500 55.500 56.153 -0.653 18302 6464 1 15 . 1 1 76 76 MET CB C 76 32.733 32.733 32.602 0.132 18302 6465 1 15 . 1 1 76 76 MET H H 76 7.863 7.863 8.111 -0.247 18302 6466 1 16 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.724 -0.108 18302 6467 1 16 . 1 1 2 2 ASP C C 2 175.975 175.975 175.010 0.965 18302 6468 1 16 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.353 0.313 18302 6469 1 16 . 1 1 2 2 ASP CB C 2 41.188 41.188 43.175 -1.987 18302 6470 1 16 . 1 1 3 3 GLN N N 3 119.995 119.995 124.015 -4.020 18302 6471 1 16 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.443 -0.060 18302 6472 1 16 . 1 1 3 3 GLN C C 3 175.927 175.927 176.108 -0.181 18302 6473 1 16 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.508 -2.856 18302 6474 1 16 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.361 -0.127 18302 6475 1 16 . 1 1 3 3 GLN H H 3 8.414 8.414 8.416 -0.002 18302 6476 1 16 . 1 1 4 4 LEU N N 4 123.586 123.586 126.319 -2.733 18302 6477 1 16 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.352 0.318 18302 6478 1 16 . 1 1 4 4 LEU C C 4 177.983 177.983 176.954 1.029 18302 6479 1 16 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.656 -0.990 18302 6480 1 16 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.879 0.653 18302 6481 1 16 . 1 1 4 4 LEU H H 4 8.352 8.352 8.466 -0.114 18302 6482 1 16 . 1 1 5 5 THR N N 5 113.292 113.292 114.246 -0.954 18302 6483 1 16 . 1 1 5 5 THR HA H 5 4.470 4.470 4.334 0.136 18302 6484 1 16 . 1 1 5 5 THR C C 5 175.729 175.729 174.276 1.453 18302 6485 1 16 . 1 1 5 5 THR CA C 5 60.526 60.526 61.161 -0.635 18302 6486 1 16 . 1 1 5 5 THR CB C 5 71.541 71.541 70.206 1.335 18302 6487 1 16 . 1 1 5 5 THR H H 5 8.735 8.735 8.007 0.728 18302 6488 1 16 . 1 1 6 6 GLU N N 6 120.507 120.507 122.576 -2.069 18302 6489 1 16 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.930 0.061 18302 6490 1 16 . 1 1 6 6 GLU C C 6 179.816 179.816 177.684 2.132 18302 6491 1 16 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.455 -0.515 18302 6492 1 16 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.691 -0.457 18302 6493 1 16 . 1 1 6 6 GLU H H 6 9.060 9.060 8.858 0.202 18302 6494 1 16 . 1 1 7 7 GLU N N 7 120.000 120.000 118.948 1.052 18302 6495 1 16 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.852 0.233 18302 6496 1 16 . 1 1 7 7 GLU C C 7 179.588 179.588 178.440 1.148 18302 6497 1 16 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.732 0.208 18302 6498 1 16 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.958 -0.125 18302 6499 1 16 . 1 1 7 7 GLU H H 7 8.770 8.770 8.365 0.405 18302 6500 1 16 . 1 1 8 8 GLN N N 8 120.798 120.798 119.386 1.412 18302 6501 1 16 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.028 -0.198 18302 6502 1 16 . 1 1 8 8 GLN C C 8 178.179 178.179 178.806 -0.627 18302 6503 1 16 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.011 -0.691 18302 6504 1 16 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.224 1.009 18302 6505 1 16 . 1 1 8 8 GLN H H 8 7.755 7.755 8.310 -0.555 18302 6506 1 16 . 1 1 9 9 ILE N N 9 119.028 119.028 116.337 2.691 18302 6507 1 16 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.973 -0.373 18302 6508 1 16 . 1 1 9 9 ILE C C 9 178.147 178.147 177.843 0.304 18302 6509 1 16 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.897 1.723 18302 6510 1 16 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.359 0.293 18302 6511 1 16 . 1 1 9 9 ILE H H 9 8.253 8.253 7.491 0.762 18302 6512 1 16 . 1 1 10 10 ALA N N 10 120.587 120.587 122.477 -1.890 18302 6513 1 16 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.853 0.287 18302 6514 1 16 . 1 1 10 10 ALA C C 10 181.279 181.279 179.453 1.826 18302 6515 1 16 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.138 0.114 18302 6516 1 16 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.818 -0.318 18302 6517 1 16 . 1 1 10 10 ALA H H 10 8.051 8.051 7.894 0.157 18302 6518 1 16 . 1 1 11 11 GLU N N 11 120.436 120.436 120.608 -0.172 18302 6519 1 16 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.298 -0.103 18302 6520 1 16 . 1 1 11 11 GLU C C 11 180.542 180.542 178.840 1.702 18302 6521 1 16 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.199 0.155 18302 6522 1 16 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.916 -0.682 18302 6523 1 16 . 1 1 11 11 GLU H H 11 7.795 7.795 8.600 -0.805 18302 6524 1 16 . 1 1 12 12 PHE N N 12 120.654 120.654 119.811 0.843 18302 6525 1 16 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.471 0.579 18302 6526 1 16 . 1 1 12 12 PHE C C 12 179.155 179.155 177.352 1.803 18302 6527 1 16 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.614 -1.854 18302 6528 1 16 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.764 -1.764 18302 6529 1 16 . 1 1 12 12 PHE H H 12 8.541 8.541 8.283 0.258 18302 6530 1 16 . 1 1 13 13 LYS N N 13 123.600 123.600 120.036 3.564 18302 6531 1 16 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.215 0.778 18302 6532 1 16 . 1 1 13 13 LYS C C 13 179.523 179.523 178.445 1.078 18302 6533 1 16 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.105 0.835 18302 6534 1 16 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.601 0.132 18302 6535 1 16 . 1 1 13 13 LYS H H 13 9.279 9.279 7.280 1.999 18302 6536 1 16 . 1 1 14 14 GLU N N 14 121.150 121.150 119.286 1.864 18302 6537 1 16 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.813 0.308 18302 6538 1 16 . 1 1 14 14 GLU C C 14 179.859 179.859 178.826 1.033 18302 6539 1 16 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.446 -0.092 18302 6540 1 16 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.453 0.280 18302 6541 1 16 . 1 1 14 14 GLU H H 14 8.036 8.036 8.111 -0.075 18302 6542 1 16 . 1 1 15 15 ALA N N 15 122.010 122.010 121.727 0.283 18302 6543 1 16 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.929 0.420 18302 6544 1 16 . 1 1 15 15 ALA C C 15 178.785 178.785 179.332 -0.547 18302 6545 1 16 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.990 0.262 18302 6546 1 16 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.520 -0.520 18302 6547 1 16 . 1 1 15 15 ALA H H 15 8.034 8.034 7.825 0.209 18302 6548 1 16 . 1 1 16 16 PHE N N 16 119.032 119.032 118.743 0.289 18302 6549 1 16 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.636 -0.336 18302 6550 1 16 . 1 1 16 16 PHE C C 16 178.534 178.534 177.256 1.278 18302 6551 1 16 . 1 1 16 16 PHE CA C 16 62.000 62.000 60.000 2.000 18302 6552 1 16 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.632 1.368 18302 6553 1 16 . 1 1 16 16 PHE H H 16 8.633 8.633 8.322 0.311 18302 6554 1 16 . 1 1 17 17 SER N N 17 113.786 113.786 114.625 -0.839 18302 6555 1 16 . 1 1 17 17 SER HA H 17 4.100 4.100 3.220 0.880 18302 6556 1 16 . 1 1 17 17 SER C C 17 174.639 174.639 175.972 -1.333 18302 6557 1 16 . 1 1 17 17 SER CA C 17 61.500 61.500 61.356 0.144 18302 6558 1 16 . 1 1 17 17 SER CB C 17 63.500 63.500 62.980 0.520 18302 6559 1 16 . 1 1 17 17 SER H H 17 8.215 8.215 8.062 0.153 18302 6560 1 16 . 1 1 18 18 LEU N N 18 120.113 120.113 119.434 0.679 18302 6561 1 16 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.777 0.103 18302 6562 1 16 . 1 1 18 18 LEU C C 18 177.151 177.151 178.792 -1.641 18302 6563 1 16 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.480 -0.980 18302 6564 1 16 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.748 -0.248 18302 6565 1 16 . 1 1 18 18 LEU H H 18 7.417 7.417 7.440 -0.023 18302 6566 1 16 . 1 1 19 19 PHE N N 19 112.070 112.070 116.987 -4.917 18302 6567 1 16 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.234 0.166 18302 6568 1 16 . 1 1 19 19 PHE C C 19 175.699 175.699 177.079 -1.380 18302 6569 1 16 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.512 -1.112 18302 6570 1 16 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.901 2.999 18302 6571 1 16 . 1 1 19 19 PHE H H 19 7.043 7.043 7.409 -0.366 18302 6572 1 16 . 1 1 20 20 ASP N N 20 116.223 116.223 119.787 -3.564 18302 6573 1 16 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.685 -0.085 18302 6574 1 16 . 1 1 20 20 ASP C C 20 177.625 177.625 177.724 -0.099 18302 6575 1 16 . 1 1 20 20 ASP CA C 20 52.322 52.322 53.624 -1.302 18302 6576 1 16 . 1 1 20 20 ASP CB C 20 39.430 39.430 38.967 0.463 18302 6577 1 16 . 1 1 20 20 ASP H H 20 7.484 7.484 7.875 -0.391 18302 6578 1 16 . 1 1 21 21 LYS N N 21 124.544 124.544 123.089 1.455 18302 6579 1 16 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.936 0.064 18302 6580 1 16 . 1 1 21 21 LYS C C 21 178.513 178.513 178.096 0.417 18302 6581 1 16 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.322 -0.622 18302 6582 1 16 . 1 1 21 21 LYS CB C 21 34.200 34.200 31.894 2.306 18302 6583 1 16 . 1 1 21 21 LYS H H 21 7.601 7.601 8.665 -1.064 18302 6584 1 16 . 1 1 22 22 ASP N N 22 114.320 114.320 117.760 -3.440 18302 6585 1 16 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.429 0.205 18302 6586 1 16 . 1 1 22 22 ASP C C 22 178.039 178.039 177.223 0.816 18302 6587 1 16 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.877 -1.969 18302 6588 1 16 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.733 -0.717 18302 6589 1 16 . 1 1 22 22 ASP H H 22 8.241 8.241 8.182 0.059 18302 6590 1 16 . 1 1 23 23 GLY N N 23 109.478 109.478 107.776 1.702 18302 6591 1 16 . 1 1 23 23 GLY C C 23 175.427 175.427 175.091 0.336 18302 6592 1 16 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.007 1.042 18302 6593 1 16 . 1 1 23 23 GLY H H 23 7.680 7.680 7.826 -0.146 18302 6594 1 16 . 1 1 24 24 ASP N N 24 121.007 121.007 119.747 1.260 18302 6595 1 16 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.623 -0.123 18302 6596 1 16 . 1 1 24 24 ASP C C 24 177.660 177.660 177.595 0.065 18302 6597 1 16 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.331 0.749 18302 6598 1 16 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.348 -0.746 18302 6599 1 16 . 1 1 24 24 ASP H H 24 8.523 8.523 8.129 0.394 18302 6600 1 16 . 1 1 25 25 GLY N N 25 112.961 112.961 109.570 3.391 18302 6601 1 16 . 1 1 25 25 GLY C C 25 174.198 174.198 173.741 0.457 18302 6602 1 16 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.434 -0.144 18302 6603 1 16 . 1 1 25 25 GLY H H 25 10.539 10.539 8.910 1.629 18302 6604 1 16 . 1 1 26 26 THR N N 26 112.593 112.593 111.374 1.219 18302 6605 1 16 . 1 1 26 26 THR HA H 26 5.560 5.560 5.398 0.162 18302 6606 1 16 . 1 1 26 26 THR C C 26 173.991 173.991 173.135 0.856 18302 6607 1 16 . 1 1 26 26 THR CA C 26 59.500 59.500 60.153 -0.653 18302 6608 1 16 . 1 1 26 26 THR CB C 26 73.299 73.299 72.374 0.925 18302 6609 1 16 . 1 1 26 26 THR H H 26 8.304 8.304 8.450 -0.146 18302 6610 1 16 . 1 1 27 27 ILE N N 27 126.868 126.868 121.992 4.876 18302 6611 1 16 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.462 0.288 18302 6612 1 16 . 1 1 27 27 ILE C C 27 176.338 176.338 175.124 1.214 18302 6613 1 16 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.646 0.466 18302 6614 1 16 . 1 1 27 27 ILE CB C 27 40.000 40.000 39.314 0.686 18302 6615 1 16 . 1 1 27 27 ILE H H 27 9.988 9.988 8.459 1.529 18302 6616 1 16 . 1 1 28 28 THR N N 28 116.237 116.237 122.345 -6.108 18302 6617 1 16 . 1 1 28 28 THR HA H 28 4.850 4.850 4.908 -0.058 18302 6618 1 16 . 1 1 28 28 THR C C 28 176.422 176.422 176.364 0.058 18302 6619 1 16 . 1 1 28 28 THR CA C 28 59.000 59.000 60.736 -1.736 18302 6620 1 16 . 1 1 28 28 THR CB C 28 72.713 72.713 71.691 1.022 18302 6621 1 16 . 1 1 28 28 THR H H 28 8.233 8.233 8.906 -0.673 18302 6622 1 16 . 1 1 29 29 THR N N 29 114.660 114.660 117.158 -2.498 18302 6623 1 16 . 1 1 29 29 THR HA H 29 3.800 3.800 3.878 -0.078 18302 6624 1 16 . 1 1 29 29 THR C C 29 177.772 177.772 176.511 1.261 18302 6625 1 16 . 1 1 29 29 THR CA C 29 66.767 66.767 67.138 -0.371 18302 6626 1 16 . 1 1 29 29 THR CB C 29 68.611 68.611 68.499 0.112 18302 6627 1 16 . 1 1 29 29 THR H H 29 9.316 9.316 8.998 0.318 18302 6628 1 16 . 1 1 30 30 LYS N N 30 121.300 121.300 120.399 0.901 18302 6629 1 16 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.099 0.029 18302 6630 1 16 . 1 1 30 30 LYS C C 30 180.194 180.194 178.813 1.381 18302 6631 1 16 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.140 -0.786 18302 6632 1 16 . 1 1 30 30 LYS CB C 30 32.164 32.164 32.055 0.109 18302 6633 1 16 . 1 1 30 30 LYS H H 30 7.900 7.900 8.523 -0.623 18302 6634 1 16 . 1 1 31 31 GLU N N 31 122.184 122.184 120.185 1.999 18302 6635 1 16 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.029 -0.029 18302 6636 1 16 . 1 1 31 31 GLU C C 31 178.964 178.964 178.965 -0.001 18302 6637 1 16 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.400 0.540 18302 6638 1 16 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.332 0.488 18302 6639 1 16 . 1 1 31 31 GLU H H 31 7.900 7.900 8.121 -0.221 18302 6640 1 16 . 1 1 32 32 LEU N N 32 120.000 120.000 120.568 -0.568 18302 6641 1 16 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.157 -0.007 18302 6642 1 16 . 1 1 32 32 LEU C C 32 179.190 179.190 178.784 0.406 18302 6643 1 16 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.040 0.142 18302 6644 1 16 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.662 0.698 18302 6645 1 16 . 1 1 32 32 LEU H H 32 8.600 8.600 8.344 0.256 18302 6646 1 16 . 1 1 33 33 GLY N N 33 105.412 105.412 105.941 -0.529 18302 6647 1 16 . 1 1 33 33 GLY C C 33 175.371 175.371 175.967 -0.596 18302 6648 1 16 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.859 0.947 18302 6649 1 16 . 1 1 33 33 GLY H H 33 8.730 8.730 8.657 0.073 18302 6650 1 16 . 1 1 34 34 THR N N 34 118.762 118.762 119.021 -0.259 18302 6651 1 16 . 1 1 34 34 THR HA H 34 3.950 3.950 4.004 -0.054 18302 6652 1 16 . 1 1 34 34 THR C C 34 177.681 177.681 176.484 1.197 18302 6653 1 16 . 1 1 34 34 THR CA C 34 66.767 66.767 67.680 -0.913 18302 6654 1 16 . 1 1 34 34 THR CB C 34 69.197 69.197 68.461 0.736 18302 6655 1 16 . 1 1 34 34 THR H H 34 8.104 8.104 8.025 0.079 18302 6656 1 16 . 1 1 35 35 VAL N N 35 122.943 122.943 121.734 1.209 18302 6657 1 16 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.715 -0.045 18302 6658 1 16 . 1 1 35 35 VAL C C 35 179.691 179.691 178.175 1.516 18302 6659 1 16 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.676 -0.109 18302 6660 1 16 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.356 0.477 18302 6661 1 16 . 1 1 35 35 VAL H H 35 8.230 8.230 7.648 0.582 18302 6662 1 16 . 1 1 36 36 MET N N 36 118.074 118.074 116.792 1.282 18302 6663 1 16 . 1 1 36 36 MET HA H 36 4.124 4.124 4.222 -0.098 18302 6664 1 16 . 1 1 36 36 MET C C 36 179.518 179.518 178.084 1.434 18302 6665 1 16 . 1 1 36 36 MET CA C 36 58.400 58.400 57.575 0.826 18302 6666 1 16 . 1 1 36 36 MET CB C 36 31.233 31.233 31.345 -0.112 18302 6667 1 16 . 1 1 36 36 MET H H 36 8.746 8.746 8.541 0.205 18302 6668 1 16 . 1 1 37 37 ARG N N 37 118.931 118.931 119.353 -0.422 18302 6669 1 16 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.413 0.437 18302 6670 1 16 . 1 1 37 37 ARG C C 37 181.608 181.608 178.589 3.019 18302 6671 1 16 . 1 1 37 37 ARG CA C 37 59.354 59.354 58.255 1.099 18302 6672 1 16 . 1 1 37 37 ARG CB C 37 29.820 29.820 31.127 -1.307 18302 6673 1 16 . 1 1 37 37 ARG H H 37 8.559 8.559 8.061 0.498 18302 6674 1 16 . 1 1 38 38 SER N N 38 119.164 119.164 115.957 3.207 18302 6675 1 16 . 1 1 38 38 SER HA H 38 4.445 4.445 4.206 0.239 18302 6676 1 16 . 1 1 38 38 SER C C 38 175.212 175.212 176.277 -1.065 18302 6677 1 16 . 1 1 38 38 SER CA C 38 61.698 61.698 60.945 0.753 18302 6678 1 16 . 1 1 38 38 SER CB C 38 62.733 62.733 62.700 0.033 18302 6679 1 16 . 1 1 38 38 SER H H 38 8.075 8.075 8.534 -0.459 18302 6680 1 16 . 1 1 39 39 LEU N N 39 120.667 120.667 119.453 1.214 18302 6681 1 16 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.195 0.035 18302 6682 1 16 . 1 1 39 39 LEU C C 39 177.740 177.740 177.659 0.081 18302 6683 1 16 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.713 -1.410 18302 6684 1 16 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.524 -0.750 18302 6685 1 16 . 1 1 39 39 LEU H H 39 7.419 7.419 7.473 -0.054 18302 6686 1 16 . 1 1 40 40 GLY N N 40 107.175 107.175 106.555 0.620 18302 6687 1 16 . 1 1 40 40 GLY C C 40 174.723 174.723 173.239 1.484 18302 6688 1 16 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.597 0.903 18302 6689 1 16 . 1 1 40 40 GLY H H 40 7.900 7.900 8.355 -0.455 18302 6690 1 16 . 1 1 41 41 GLN N N 41 117.918 117.918 118.818 -0.900 18302 6691 1 16 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.581 -0.451 18302 6692 1 16 . 1 1 41 41 GLN C C 41 174.428 174.428 174.070 0.358 18302 6693 1 16 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.040 0.960 18302 6694 1 16 . 1 1 41 41 GLN CB C 41 29.820 29.820 32.179 -2.359 18302 6695 1 16 . 1 1 41 41 GLN H H 41 7.746 7.746 7.943 -0.197 18302 6696 1 16 . 1 1 42 42 ASN N N 42 119.000 119.000 120.474 -1.474 18302 6697 1 16 . 1 1 42 42 ASN HA H 42 4.600 4.600 5.094 -0.494 18302 6698 1 16 . 1 1 42 42 ASN H H 42 8.250 8.250 8.626 -0.376 18302 6699 1 16 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.724 0.476 18302 6700 1 16 . 1 1 43 43 PRO C C 43 177.909 177.909 175.961 1.948 18302 6701 1 16 . 1 1 43 43 PRO CA C 43 62.284 62.284 62.495 -0.211 18302 6702 1 16 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.498 -0.766 18302 6703 1 16 . 1 1 44 44 THR N N 44 113.390 113.390 115.069 -1.679 18302 6704 1 16 . 1 1 44 44 THR HA H 44 4.450 4.450 4.591 -0.141 18302 6705 1 16 . 1 1 44 44 THR C C 44 175.483 175.483 175.320 0.163 18302 6706 1 16 . 1 1 44 44 THR CA C 44 60.526 60.526 61.191 -0.664 18302 6707 1 16 . 1 1 44 44 THR CB C 44 71.541 71.541 71.560 -0.019 18302 6708 1 16 . 1 1 44 44 THR H H 44 8.982 8.982 8.261 0.721 18302 6709 1 16 . 1 1 45 45 GLU N N 45 120.632 120.632 126.247 -5.615 18302 6710 1 16 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.937 0.013 18302 6711 1 16 . 1 1 45 45 GLU C C 45 179.348 179.348 178.086 1.262 18302 6712 1 16 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.573 -0.573 18302 6713 1 16 . 1 1 45 45 GLU CB C 45 29.733 29.733 28.748 0.985 18302 6714 1 16 . 1 1 45 45 GLU H H 45 8.854 8.854 8.952 -0.098 18302 6715 1 16 . 1 1 46 46 THR N N 46 121.035 121.035 124.084 -3.049 18302 6716 1 16 . 1 1 46 46 THR HA H 46 4.121 4.121 3.924 0.197 18302 6717 1 16 . 1 1 46 46 THR C C 46 175.463 175.463 176.919 -1.456 18302 6718 1 16 . 1 1 46 46 THR CA C 46 62.324 62.324 65.583 -3.259 18302 6719 1 16 . 1 1 46 46 THR CB C 46 70.088 70.088 67.553 2.535 18302 6720 1 16 . 1 1 46 46 THR H H 46 8.295 8.295 8.534 -0.239 18302 6721 1 16 . 1 1 47 47 GLY N N 47 111.232 111.232 106.199 5.033 18302 6722 1 16 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.015 -0.078 18302 6723 1 16 . 1 1 47 47 GLY C C 47 174.998 174.998 177.456 -2.458 18302 6724 1 16 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.919 -1.998 18302 6725 1 16 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.188 0.632 18302 6726 1 16 . 1 1 47 47 GLY H H 47 8.720 8.720 8.207 0.513 18302 6727 1 16 . 1 1 48 48 ALA N N 48 124.417 124.417 122.059 2.358 18302 6728 1 16 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.946 0.336 18302 6729 1 16 . 1 1 48 48 ALA C C 48 177.866 177.866 179.913 -2.047 18302 6730 1 16 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.293 -1.468 18302 6731 1 16 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.509 0.878 18302 6732 1 16 . 1 1 48 48 ALA H H 48 8.365 8.365 7.517 0.848 18302 6733 1 16 . 1 1 49 49 ALA N N 49 122.129 122.129 119.608 2.521 18302 6734 1 16 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.861 0.385 18302 6735 1 16 . 1 1 49 49 ALA C C 49 178.647 178.647 179.827 -1.180 18302 6736 1 16 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.268 -2.097 18302 6737 1 16 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.565 -2.416 18302 6738 1 16 . 1 1 49 49 ALA H H 49 8.318 8.318 8.815 -0.497 18302 6739 1 16 . 1 1 50 50 LEU N N 50 120.817 120.817 121.000 -0.183 18302 6740 1 16 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.245 -0.120 18302 6741 1 16 . 1 1 50 50 LEU C C 50 177.367 177.367 178.681 -1.314 18302 6742 1 16 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.298 -1.572 18302 6743 1 16 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.105 -0.005 18302 6744 1 16 . 1 1 50 50 LEU H H 50 8.126 8.126 7.563 0.563 18302 6745 1 16 . 1 1 51 51 SER N N 51 116.273 116.273 115.770 0.503 18302 6746 1 16 . 1 1 51 51 SER HA H 51 4.057 4.057 4.167 -0.110 18302 6747 1 16 . 1 1 51 51 SER C C 51 175.939 175.939 177.383 -1.444 18302 6748 1 16 . 1 1 51 51 SER CA C 51 61.429 61.429 60.956 0.473 18302 6749 1 16 . 1 1 51 51 SER CB C 51 28.648 28.648 32.182 -3.534 18302 6750 1 16 . 1 1 51 51 SER H H 51 7.917 7.917 7.799 0.118 18302 6751 1 16 . 1 1 52 52 TRP N N 52 123.132 123.132 120.416 2.716 18302 6752 1 16 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.074 0.523 18302 6753 1 16 . 1 1 52 52 TRP C C 52 178.377 178.377 178.426 -0.049 18302 6754 1 16 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.384 0.281 18302 6755 1 16 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.142 0.246 18302 6756 1 16 . 1 1 52 52 TRP H H 52 8.732 8.732 8.570 0.162 18302 6757 1 16 . 1 1 53 53 GLN N N 53 117.115 117.115 118.287 -1.172 18302 6758 1 16 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.967 0.002 18302 6759 1 16 . 1 1 53 53 GLN C C 53 177.779 177.779 177.308 0.471 18302 6760 1 16 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.697 0.635 18302 6761 1 16 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.483 -0.333 18302 6762 1 16 . 1 1 53 53 GLN H H 53 8.480 8.480 7.716 0.764 18302 6763 1 16 . 1 1 54 54 ALA N N 54 120.557 120.557 121.515 -0.958 18302 6764 1 16 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.089 0.179 18302 6765 1 16 . 1 1 54 54 ALA C C 54 181.023 181.023 178.742 2.281 18302 6766 1 16 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.391 0.249 18302 6767 1 16 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.517 -0.908 18302 6768 1 16 . 1 1 54 54 ALA H H 54 8.003 8.003 7.697 0.305 18302 6769 1 16 . 1 1 55 55 ALA N N 55 122.442 122.442 117.677 4.765 18302 6770 1 16 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.308 -0.191 18302 6771 1 16 . 1 1 55 55 ALA C C 55 179.069 179.069 178.347 0.722 18302 6772 1 16 . 1 1 55 55 ALA CA C 55 55.478 55.478 52.977 2.501 18302 6773 1 16 . 1 1 55 55 ALA CB C 55 18.235 18.235 19.958 -1.723 18302 6774 1 16 . 1 1 55 55 ALA H H 55 8.283 8.283 7.569 0.714 18302 6775 1 16 . 1 1 56 56 ILE N N 56 119.035 119.035 120.890 -1.855 18302 6776 1 16 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.663 0.148 18302 6777 1 16 . 1 1 56 56 ILE C C 56 177.968 177.968 174.978 2.990 18302 6778 1 16 . 1 1 56 56 ILE CA C 56 65.950 65.950 63.686 2.264 18302 6779 1 16 . 1 1 56 56 ILE CB C 56 38.315 38.315 36.743 1.572 18302 6780 1 16 . 1 1 56 56 ILE H H 56 8.682 8.682 8.029 0.653 18302 6781 1 16 . 1 1 57 57 ASP N N 57 119.160 119.160 119.321 -0.161 18302 6782 1 16 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.594 -0.194 18302 6783 1 16 . 1 1 57 57 ASP C C 57 179.117 179.117 175.437 3.680 18302 6784 1 16 . 1 1 57 57 ASP CA C 57 53.690 53.690 54.515 -0.825 18302 6785 1 16 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.987 -0.347 18302 6786 1 16 . 1 1 57 57 ASP H H 57 8.393 8.393 8.317 0.076 18302 6787 1 16 . 1 1 58 58 ALA N N 58 122.077 122.077 123.401 -1.324 18302 6788 1 16 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.333 0.167 18302 6789 1 16 . 1 1 58 58 ALA C C 58 180.605 180.605 178.891 1.714 18302 6790 1 16 . 1 1 58 58 ALA CA C 58 54.968 54.968 52.338 2.630 18302 6791 1 16 . 1 1 58 58 ALA CB C 58 18.534 18.534 18.895 -0.361 18302 6792 1 16 . 1 1 58 58 ALA H H 58 8.153 8.153 8.393 -0.240 18302 6793 1 16 . 1 1 59 59 ALA N N 59 123.120 123.120 121.066 2.054 18302 6794 1 16 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.866 0.180 18302 6795 1 16 . 1 1 59 59 ALA C C 59 180.385 180.385 177.843 2.542 18302 6796 1 16 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.518 2.411 18302 6797 1 16 . 1 1 59 59 ALA H H 59 8.807 8.807 8.016 0.791 18302 6798 1 16 . 1 1 60 60 ARG N N 60 119.705 119.705 120.109 -0.404 18302 6799 1 16 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.242 -0.254 18302 6800 1 16 . 1 1 60 60 ARG C C 60 179.348 179.348 176.852 2.496 18302 6801 1 16 . 1 1 60 60 ARG CA C 60 59.608 59.608 55.577 4.031 18302 6802 1 16 . 1 1 60 60 ARG CB C 60 30.295 30.295 29.988 0.307 18302 6803 1 16 . 1 1 60 60 ARG H H 60 8.674 8.674 8.218 0.456 18302 6804 1 16 . 1 1 61 61 GLN N N 61 119.132 119.132 116.620 2.512 18302 6805 1 16 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.095 0.001 18302 6806 1 16 . 1 1 61 61 GLN C C 61 177.615 177.615 174.217 3.398 18302 6807 1 16 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.969 2.261 18302 6808 1 16 . 1 1 61 61 GLN H H 61 8.053 8.053 8.340 -0.287 18302 6809 1 16 . 1 1 62 62 ALA N N 62 120.910 120.910 117.727 3.183 18302 6810 1 16 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.207 -1.030 18302 6811 1 16 . 1 1 62 62 ALA C C 62 179.311 179.311 176.586 2.725 18302 6812 1 16 . 1 1 62 62 ALA CA C 62 53.947 53.947 48.734 5.213 18302 6813 1 16 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.340 -3.804 18302 6814 1 16 . 1 1 62 62 ALA H H 62 7.920 7.920 7.271 0.649 18302 6815 1 16 . 1 1 63 63 LYS N N 63 117.863 117.863 122.635 -4.772 18302 6816 1 16 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.968 -0.812 18302 6817 1 16 . 1 1 63 63 LYS C C 63 178.324 178.324 175.827 2.497 18302 6818 1 16 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.048 4.839 18302 6819 1 16 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.852 -1.072 18302 6820 1 16 . 1 1 63 63 LYS H H 63 7.680 7.680 8.382 -0.702 18302 6821 1 16 . 1 1 64 64 LEU N N 64 119.697 119.697 127.430 -7.733 18302 6822 1 16 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.549 -0.356 18302 6823 1 16 . 1 1 64 64 LEU C C 64 178.459 178.459 178.515 -0.056 18302 6824 1 16 . 1 1 64 64 LEU CA C 64 56.443 56.443 53.157 3.286 18302 6825 1 16 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.525 -1.364 18302 6826 1 16 . 1 1 64 64 LEU H H 64 7.895 7.895 8.210 -0.315 18302 6827 1 16 . 1 1 65 65 MET N N 65 117.184 117.184 117.728 -0.544 18302 6828 1 16 . 1 1 65 65 MET HA H 65 4.472 4.472 4.080 0.392 18302 6829 1 16 . 1 1 65 65 MET C C 65 177.053 177.053 176.035 1.018 18302 6830 1 16 . 1 1 65 65 MET CA C 65 55.889 55.889 59.227 -3.338 18302 6831 1 16 . 1 1 65 65 MET CB C 65 33.010 33.010 29.126 3.884 18302 6832 1 16 . 1 1 65 65 MET H H 65 7.958 7.958 7.705 0.253 18302 6833 1 16 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.008 -0.158 18302 6834 1 16 . 1 1 66 66 GLY C C 66 174.137 174.137 176.248 -2.111 18302 6835 1 16 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.748 -2.158 18302 6836 1 16 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.074 -0.241 18302 6837 1 16 . 1 1 67 67 SER N N 67 115.622 115.622 114.795 0.827 18302 6838 1 16 . 1 1 67 67 SER HA H 67 4.472 4.472 4.082 0.390 18302 6839 1 16 . 1 1 67 67 SER C C 67 173.300 173.300 176.837 -3.537 18302 6840 1 16 . 1 1 67 67 SER CA C 67 58.182 58.182 61.706 -3.524 18302 6841 1 16 . 1 1 67 67 SER CB C 67 64.389 64.389 62.532 1.857 18302 6842 1 16 . 1 1 67 67 SER H H 67 8.127 8.127 8.415 -0.288 18302 6843 1 16 . 1 1 68 68 ALA N N 68 131.351 131.351 123.944 7.407 18302 6844 1 16 . 1 1 68 68 ALA HA H 68 4.200 4.200 4.030 0.170 18302 6845 1 16 . 1 1 68 68 ALA C C 68 176.792 176.792 177.063 -0.271 18302 6846 1 16 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.423 -1.308 18302 6847 1 16 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.439 0.809 18302 6848 1 16 . 1 1 68 68 ALA H H 68 7.984 7.984 8.290 -0.306 18302 6849 1 16 . 1 1 69 69 LEU N N 69 119.986 119.986 119.408 0.578 18302 6850 1 16 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.947 -0.597 18302 6851 1 16 . 1 1 69 69 LEU C C 69 178.468 178.468 178.418 0.050 18302 6852 1 16 . 1 1 69 69 LEU CA C 69 57.919 57.919 58.489 -0.570 18302 6853 1 16 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.703 -0.702 18302 6854 1 16 . 1 1 69 69 LEU H H 69 9.062 9.062 7.741 1.321 18302 6855 1 16 . 1 1 70 70 THR N N 70 114.834 114.834 115.575 -0.741 18302 6856 1 16 . 1 1 70 70 THR HA H 70 4.100 4.100 3.850 0.250 18302 6857 1 16 . 1 1 70 70 THR C C 70 176.391 176.391 176.941 -0.550 18302 6858 1 16 . 1 1 70 70 THR CA C 70 61.833 61.833 66.731 -4.898 18302 6859 1 16 . 1 1 70 70 THR CB C 70 68.267 68.267 68.620 -0.353 18302 6860 1 16 . 1 1 70 70 THR H H 70 7.710 7.710 8.503 -0.793 18302 6861 1 16 . 1 1 71 71 MET N N 71 120.233 120.233 119.403 0.830 18302 6862 1 16 . 1 1 71 71 MET HA H 71 3.850 3.850 4.169 -0.319 18302 6863 1 16 . 1 1 71 71 MET C C 71 178.145 178.145 177.336 0.809 18302 6864 1 16 . 1 1 71 71 MET CA C 71 58.768 58.768 58.189 0.579 18302 6865 1 16 . 1 1 71 71 MET CB C 71 31.233 31.233 32.435 -1.202 18302 6866 1 16 . 1 1 71 71 MET H H 71 7.034 7.034 8.218 -1.184 18302 6867 1 16 . 1 1 72 72 MET N N 72 118.621 118.621 119.021 -0.400 18302 6868 1 16 . 1 1 72 72 MET HA H 72 3.800 3.800 4.364 -0.564 18302 6869 1 16 . 1 1 72 72 MET C C 72 178.930 178.930 176.875 2.055 18302 6870 1 16 . 1 1 72 72 MET CA C 72 56.500 56.500 56.934 -0.434 18302 6871 1 16 . 1 1 72 72 MET CB C 72 32.733 32.733 32.262 0.471 18302 6872 1 16 . 1 1 72 72 MET H H 72 7.839 7.839 7.295 0.544 18302 6873 1 16 . 1 1 73 73 ALA N N 73 120.567 120.567 120.811 -0.244 18302 6874 1 16 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.416 -0.281 18302 6875 1 16 . 1 1 73 73 ALA C C 73 179.332 179.332 178.135 1.197 18302 6876 1 16 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.159 1.921 18302 6877 1 16 . 1 1 73 73 ALA CB C 73 18.453 18.453 17.693 0.760 18302 6878 1 16 . 1 1 73 73 ALA H H 73 8.240 8.240 7.578 0.662 18302 6879 1 16 . 1 1 74 74 ARG N N 74 116.784 116.784 117.721 -0.937 18302 6880 1 16 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.287 -0.150 18302 6881 1 16 . 1 1 74 74 ARG C C 74 177.511 177.511 176.704 0.807 18302 6882 1 16 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.689 0.907 18302 6883 1 16 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.865 -0.459 18302 6884 1 16 . 1 1 74 74 ARG H H 74 7.382 7.382 7.849 -0.467 18302 6885 1 16 . 1 1 75 75 LYS N N 75 118.548 118.548 119.827 -1.279 18302 6886 1 16 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.379 -0.073 18302 6887 1 16 . 1 1 75 75 LYS C C 75 176.937 176.937 175.432 1.505 18302 6888 1 16 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.773 -1.773 18302 6889 1 16 . 1 1 75 75 LYS CB C 75 32.750 32.750 33.047 -0.297 18302 6890 1 16 . 1 1 75 75 LYS H H 75 7.732 7.732 7.479 0.253 18302 6891 1 16 . 1 1 76 76 MET N N 76 120.367 120.367 121.270 -0.903 18302 6892 1 16 . 1 1 76 76 MET HA H 76 4.443 4.443 4.618 -0.175 18302 6893 1 16 . 1 1 76 76 MET C C 76 175.539 175.539 176.669 -1.130 18302 6894 1 16 . 1 1 76 76 MET CA C 76 55.500 55.500 56.215 -0.715 18302 6895 1 16 . 1 1 76 76 MET CB C 76 32.733 32.733 33.314 -0.581 18302 6896 1 16 . 1 1 76 76 MET H H 76 7.863 7.863 8.330 -0.467 18302 6897 1 17 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.369 0.247 18302 6898 1 17 . 1 1 2 2 ASP C C 2 175.975 175.975 175.651 0.324 18302 6899 1 17 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.603 0.063 18302 6900 1 17 . 1 1 2 2 ASP CB C 2 41.188 41.188 40.647 0.541 18302 6901 1 17 . 1 1 3 3 GLN N N 3 119.995 119.995 116.275 3.720 18302 6902 1 17 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.120 0.263 18302 6903 1 17 . 1 1 3 3 GLN C C 3 175.927 175.927 176.381 -0.454 18302 6904 1 17 . 1 1 3 3 GLN CA C 3 52.653 52.653 56.491 -3.838 18302 6905 1 17 . 1 1 3 3 GLN CB C 3 29.234 29.234 28.983 0.251 18302 6906 1 17 . 1 1 3 3 GLN H H 3 8.414 8.414 8.131 0.283 18302 6907 1 17 . 1 1 4 4 LEU N N 4 123.586 123.586 119.421 4.165 18302 6908 1 17 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.231 0.439 18302 6909 1 17 . 1 1 4 4 LEU C C 4 177.983 177.983 177.309 0.674 18302 6910 1 17 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.580 -1.914 18302 6911 1 17 . 1 1 4 4 LEU CB C 4 43.532 43.532 41.979 1.553 18302 6912 1 17 . 1 1 4 4 LEU H H 4 8.352 8.352 8.540 -0.188 18302 6913 1 17 . 1 1 5 5 THR N N 5 113.292 113.292 109.002 4.290 18302 6914 1 17 . 1 1 5 5 THR HA H 5 4.470 4.470 4.488 -0.018 18302 6915 1 17 . 1 1 5 5 THR C C 5 175.729 175.729 174.033 1.696 18302 6916 1 17 . 1 1 5 5 THR CA C 5 60.526 60.526 61.215 -0.689 18302 6917 1 17 . 1 1 5 5 THR CB C 5 71.541 71.541 71.072 0.469 18302 6918 1 17 . 1 1 5 5 THR H H 5 8.735 8.735 7.614 1.121 18302 6919 1 17 . 1 1 6 6 GLU N N 6 120.507 120.507 122.780 -2.273 18302 6920 1 17 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.923 0.068 18302 6921 1 17 . 1 1 6 6 GLU C C 6 179.816 179.816 178.072 1.744 18302 6922 1 17 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.597 -0.657 18302 6923 1 17 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.667 -0.433 18302 6924 1 17 . 1 1 6 6 GLU H H 6 9.060 9.060 8.825 0.235 18302 6925 1 17 . 1 1 7 7 GLU N N 7 120.000 120.000 118.431 1.569 18302 6926 1 17 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.862 0.223 18302 6927 1 17 . 1 1 7 7 GLU C C 7 179.588 179.588 178.818 0.770 18302 6928 1 17 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.423 0.517 18302 6929 1 17 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.408 0.425 18302 6930 1 17 . 1 1 7 7 GLU H H 7 8.770 8.770 8.665 0.105 18302 6931 1 17 . 1 1 8 8 GLN N N 8 120.798 120.798 118.165 2.633 18302 6932 1 17 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.102 -0.272 18302 6933 1 17 . 1 1 8 8 GLN C C 8 178.179 178.179 178.766 -0.587 18302 6934 1 17 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.918 -0.598 18302 6935 1 17 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.191 1.042 18302 6936 1 17 . 1 1 8 8 GLN H H 8 7.755 7.755 8.290 -0.535 18302 6937 1 17 . 1 1 9 9 ILE N N 9 119.028 119.028 115.876 3.152 18302 6938 1 17 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.998 -0.398 18302 6939 1 17 . 1 1 9 9 ILE C C 9 178.147 178.147 177.870 0.277 18302 6940 1 17 . 1 1 9 9 ILE CA C 9 66.620 66.620 65.032 1.588 18302 6941 1 17 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.193 0.459 18302 6942 1 17 . 1 1 9 9 ILE H H 9 8.253 8.253 7.899 0.354 18302 6943 1 17 . 1 1 10 10 ALA N N 10 120.587 120.587 121.995 -1.408 18302 6944 1 17 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.920 0.220 18302 6945 1 17 . 1 1 10 10 ALA C C 10 181.279 181.279 179.733 1.546 18302 6946 1 17 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.225 0.027 18302 6947 1 17 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.795 -0.295 18302 6948 1 17 . 1 1 10 10 ALA H H 10 8.051 8.051 8.236 -0.185 18302 6949 1 17 . 1 1 11 11 GLU N N 11 120.436 120.436 120.476 -0.040 18302 6950 1 17 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.172 0.023 18302 6951 1 17 . 1 1 11 11 GLU C C 11 180.542 180.542 178.761 1.781 18302 6952 1 17 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.068 0.286 18302 6953 1 17 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.629 -0.395 18302 6954 1 17 . 1 1 11 11 GLU H H 11 7.795 7.795 8.296 -0.501 18302 6955 1 17 . 1 1 12 12 PHE N N 12 120.654 120.654 120.409 0.245 18302 6956 1 17 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.527 0.523 18302 6957 1 17 . 1 1 12 12 PHE C C 12 179.155 179.155 177.429 1.726 18302 6958 1 17 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.920 -2.160 18302 6959 1 17 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.780 -1.780 18302 6960 1 17 . 1 1 12 12 PHE H H 12 8.541 8.541 8.366 0.175 18302 6961 1 17 . 1 1 13 13 LYS N N 13 123.600 123.600 119.883 3.717 18302 6962 1 17 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.042 0.951 18302 6963 1 17 . 1 1 13 13 LYS C C 13 179.523 179.523 178.406 1.117 18302 6964 1 17 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.234 0.706 18302 6965 1 17 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.578 0.155 18302 6966 1 17 . 1 1 13 13 LYS H H 13 9.279 9.279 7.428 1.851 18302 6967 1 17 . 1 1 14 14 GLU N N 14 121.150 121.150 119.126 2.024 18302 6968 1 17 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.834 0.287 18302 6969 1 17 . 1 1 14 14 GLU C C 14 179.859 179.859 178.880 0.979 18302 6970 1 17 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.388 -0.034 18302 6971 1 17 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.481 0.252 18302 6972 1 17 . 1 1 14 14 GLU H H 14 8.036 8.036 7.792 0.244 18302 6973 1 17 . 1 1 15 15 ALA N N 15 122.010 122.010 122.233 -0.223 18302 6974 1 17 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.876 0.473 18302 6975 1 17 . 1 1 15 15 ALA C C 15 178.785 178.785 179.189 -0.404 18302 6976 1 17 . 1 1 15 15 ALA CA C 15 55.252 55.252 55.193 0.059 18302 6977 1 17 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.778 -0.778 18302 6978 1 17 . 1 1 15 15 ALA H H 15 8.034 8.034 7.840 0.194 18302 6979 1 17 . 1 1 16 16 PHE N N 16 119.032 119.032 119.328 -0.296 18302 6980 1 17 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.888 -0.588 18302 6981 1 17 . 1 1 16 16 PHE C C 16 178.534 178.534 177.215 1.319 18302 6982 1 17 . 1 1 16 16 PHE CA C 16 62.000 62.000 60.221 1.779 18302 6983 1 17 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.651 1.349 18302 6984 1 17 . 1 1 16 16 PHE H H 16 8.633 8.633 8.647 -0.014 18302 6985 1 17 . 1 1 17 17 SER N N 17 113.786 113.786 114.624 -0.838 18302 6986 1 17 . 1 1 17 17 SER HA H 17 4.100 4.100 3.269 0.831 18302 6987 1 17 . 1 1 17 17 SER C C 17 174.639 174.639 176.063 -1.424 18302 6988 1 17 . 1 1 17 17 SER CA C 17 61.500 61.500 61.268 0.232 18302 6989 1 17 . 1 1 17 17 SER CB C 17 63.500 63.500 62.906 0.594 18302 6990 1 17 . 1 1 17 17 SER H H 17 8.215 8.215 8.054 0.161 18302 6991 1 17 . 1 1 18 18 LEU N N 18 120.113 120.113 119.584 0.529 18302 6992 1 17 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.772 0.108 18302 6993 1 17 . 1 1 18 18 LEU C C 18 177.151 177.151 178.766 -1.615 18302 6994 1 17 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.509 -1.009 18302 6995 1 17 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.599 -0.098 18302 6996 1 17 . 1 1 18 18 LEU H H 18 7.417 7.417 7.254 0.163 18302 6997 1 17 . 1 1 19 19 PHE N N 19 112.070 112.070 118.035 -5.965 18302 6998 1 17 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.209 0.191 18302 6999 1 17 . 1 1 19 19 PHE C C 19 175.699 175.699 177.037 -1.338 18302 7000 1 17 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.694 -1.294 18302 7001 1 17 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.810 3.090 18302 7002 1 17 . 1 1 19 19 PHE H H 19 7.043 7.043 7.545 -0.502 18302 7003 1 17 . 1 1 20 20 ASP N N 20 116.223 116.223 119.513 -3.290 18302 7004 1 17 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.652 -0.052 18302 7005 1 17 . 1 1 20 20 ASP C C 20 177.625 177.625 176.972 0.653 18302 7006 1 17 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.234 -1.912 18302 7007 1 17 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.268 0.162 18302 7008 1 17 . 1 1 20 20 ASP H H 20 7.484 7.484 7.865 -0.381 18302 7009 1 17 . 1 1 21 21 LYS N N 21 124.544 124.544 123.243 1.301 18302 7010 1 17 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.967 0.033 18302 7011 1 17 . 1 1 21 21 LYS C C 21 178.513 178.513 178.230 0.283 18302 7012 1 17 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.205 -0.505 18302 7013 1 17 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.096 2.104 18302 7014 1 17 . 1 1 21 21 LYS H H 21 7.601 7.601 8.618 -1.017 18302 7015 1 17 . 1 1 22 22 ASP N N 22 114.320 114.320 116.455 -2.135 18302 7016 1 17 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.459 0.175 18302 7017 1 17 . 1 1 22 22 ASP C C 22 178.039 178.039 177.052 0.987 18302 7018 1 17 . 1 1 22 22 ASP CA C 22 52.908 52.908 55.042 -2.134 18302 7019 1 17 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.645 -0.629 18302 7020 1 17 . 1 1 22 22 ASP H H 22 8.241 8.241 8.154 0.087 18302 7021 1 17 . 1 1 23 23 GLY N N 23 109.478 109.478 108.059 1.419 18302 7022 1 17 . 1 1 23 23 GLY C C 23 175.427 175.427 174.792 0.635 18302 7023 1 17 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.892 1.156 18302 7024 1 17 . 1 1 23 23 GLY H H 23 7.680 7.680 7.677 0.003 18302 7025 1 17 . 1 1 24 24 ASP N N 24 121.007 121.007 120.346 0.661 18302 7026 1 17 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.585 -0.085 18302 7027 1 17 . 1 1 24 24 ASP C C 24 177.660 177.660 177.705 -0.045 18302 7028 1 17 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.121 0.959 18302 7029 1 17 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.348 -0.746 18302 7030 1 17 . 1 1 24 24 ASP H H 24 8.523 8.523 8.059 0.464 18302 7031 1 17 . 1 1 25 25 GLY N N 25 112.961 112.961 109.686 3.275 18302 7032 1 17 . 1 1 25 25 GLY C C 25 174.198 174.198 173.882 0.316 18302 7033 1 17 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.510 -0.220 18302 7034 1 17 . 1 1 25 25 GLY H H 25 10.539 10.539 9.429 1.110 18302 7035 1 17 . 1 1 26 26 THR N N 26 112.593 112.593 110.491 2.102 18302 7036 1 17 . 1 1 26 26 THR HA H 26 5.560 5.560 5.134 0.426 18302 7037 1 17 . 1 1 26 26 THR C C 26 173.991 173.991 172.576 1.415 18302 7038 1 17 . 1 1 26 26 THR CA C 26 59.500 59.500 59.916 -0.416 18302 7039 1 17 . 1 1 26 26 THR CB C 26 73.299 73.299 72.380 0.919 18302 7040 1 17 . 1 1 26 26 THR H H 26 8.304 8.304 8.650 -0.346 18302 7041 1 17 . 1 1 27 27 ILE N N 27 126.868 126.868 120.430 6.438 18302 7042 1 17 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.899 -0.149 18302 7043 1 17 . 1 1 27 27 ILE C C 27 176.338 176.338 175.412 0.926 18302 7044 1 17 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.217 0.895 18302 7045 1 17 . 1 1 27 27 ILE CB C 27 40.000 40.000 41.612 -1.612 18302 7046 1 17 . 1 1 27 27 ILE H H 27 9.988 9.988 8.172 1.816 18302 7047 1 17 . 1 1 28 28 THR N N 28 116.237 116.237 120.494 -4.257 18302 7048 1 17 . 1 1 28 28 THR HA H 28 4.850 4.850 5.040 -0.190 18302 7049 1 17 . 1 1 28 28 THR C C 28 176.422 176.422 175.904 0.518 18302 7050 1 17 . 1 1 28 28 THR CA C 28 59.000 59.000 60.488 -1.488 18302 7051 1 17 . 1 1 28 28 THR CB C 28 72.713 72.713 71.870 0.843 18302 7052 1 17 . 1 1 28 28 THR H H 28 8.233 8.233 8.735 -0.502 18302 7053 1 17 . 1 1 29 29 THR N N 29 114.660 114.660 117.984 -3.324 18302 7054 1 17 . 1 1 29 29 THR HA H 29 3.800 3.800 3.890 -0.090 18302 7055 1 17 . 1 1 29 29 THR C C 29 177.772 177.772 176.288 1.484 18302 7056 1 17 . 1 1 29 29 THR CA C 29 66.767 66.767 66.599 0.168 18302 7057 1 17 . 1 1 29 29 THR CB C 29 68.611 68.611 68.446 0.165 18302 7058 1 17 . 1 1 29 29 THR H H 29 9.316 9.316 8.941 0.375 18302 7059 1 17 . 1 1 30 30 LYS N N 30 121.300 121.300 122.336 -1.036 18302 7060 1 17 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.111 0.017 18302 7061 1 17 . 1 1 30 30 LYS C C 30 180.194 180.194 179.111 1.083 18302 7062 1 17 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.034 -0.680 18302 7063 1 17 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.746 0.418 18302 7064 1 17 . 1 1 30 30 LYS H H 30 7.900 7.900 8.451 -0.551 18302 7065 1 17 . 1 1 31 31 GLU N N 31 122.184 122.184 119.887 2.297 18302 7066 1 17 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.045 -0.045 18302 7067 1 17 . 1 1 31 31 GLU C C 31 178.964 178.964 178.971 -0.007 18302 7068 1 17 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.580 0.360 18302 7069 1 17 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.349 0.471 18302 7070 1 17 . 1 1 31 31 GLU H H 31 7.900 7.900 8.137 -0.237 18302 7071 1 17 . 1 1 32 32 LEU N N 32 120.000 120.000 120.499 -0.499 18302 7072 1 17 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.183 -0.033 18302 7073 1 17 . 1 1 32 32 LEU C C 32 179.190 179.190 178.638 0.552 18302 7074 1 17 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.268 -0.086 18302 7075 1 17 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.785 0.576 18302 7076 1 17 . 1 1 32 32 LEU H H 32 8.600 8.600 8.510 0.090 18302 7077 1 17 . 1 1 33 33 GLY N N 33 105.412 105.412 106.492 -1.080 18302 7078 1 17 . 1 1 33 33 GLY C C 33 175.371 175.371 175.753 -0.382 18302 7079 1 17 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.606 1.200 18302 7080 1 17 . 1 1 33 33 GLY H H 33 8.730 8.730 8.652 0.078 18302 7081 1 17 . 1 1 34 34 THR N N 34 118.762 118.762 119.643 -0.881 18302 7082 1 17 . 1 1 34 34 THR HA H 34 3.950 3.950 3.940 0.010 18302 7083 1 17 . 1 1 34 34 THR C C 34 177.681 177.681 176.452 1.229 18302 7084 1 17 . 1 1 34 34 THR CA C 34 66.767 66.767 67.380 -0.614 18302 7085 1 17 . 1 1 34 34 THR CB C 34 69.197 69.197 68.795 0.402 18302 7086 1 17 . 1 1 34 34 THR H H 34 8.104 8.104 7.932 0.172 18302 7087 1 17 . 1 1 35 35 VAL N N 35 122.943 122.943 122.069 0.874 18302 7088 1 17 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.580 0.090 18302 7089 1 17 . 1 1 35 35 VAL C C 35 179.691 179.691 178.029 1.662 18302 7090 1 17 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.829 -0.262 18302 7091 1 17 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.703 0.130 18302 7092 1 17 . 1 1 35 35 VAL H H 35 8.230 8.230 7.653 0.577 18302 7093 1 17 . 1 1 36 36 MET N N 36 118.074 118.074 117.457 0.617 18302 7094 1 17 . 1 1 36 36 MET HA H 36 4.124 4.124 4.125 -0.001 18302 7095 1 17 . 1 1 36 36 MET C C 36 179.518 179.518 178.202 1.316 18302 7096 1 17 . 1 1 36 36 MET CA C 36 58.400 58.400 59.420 -1.020 18302 7097 1 17 . 1 1 36 36 MET CB C 36 31.233 31.233 32.346 -1.113 18302 7098 1 17 . 1 1 36 36 MET H H 36 8.746 8.746 8.272 0.474 18302 7099 1 17 . 1 1 37 37 ARG N N 37 118.931 118.931 120.787 -1.856 18302 7100 1 17 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.136 0.714 18302 7101 1 17 . 1 1 37 37 ARG C C 37 181.608 181.608 179.340 2.268 18302 7102 1 17 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.424 -0.070 18302 7103 1 17 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.484 -0.664 18302 7104 1 17 . 1 1 37 37 ARG H H 37 8.559 8.559 8.187 0.372 18302 7105 1 17 . 1 1 38 38 SER N N 38 119.164 119.164 117.246 1.918 18302 7106 1 17 . 1 1 38 38 SER HA H 38 4.445 4.445 4.175 0.270 18302 7107 1 17 . 1 1 38 38 SER C C 38 175.212 175.212 176.245 -1.033 18302 7108 1 17 . 1 1 38 38 SER CA C 38 61.698 61.698 61.293 0.405 18302 7109 1 17 . 1 1 38 38 SER CB C 38 62.733 62.733 62.917 -0.184 18302 7110 1 17 . 1 1 38 38 SER H H 38 8.075 8.075 8.503 -0.428 18302 7111 1 17 . 1 1 39 39 LEU N N 39 120.667 120.667 119.637 1.030 18302 7112 1 17 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.224 0.006 18302 7113 1 17 . 1 1 39 39 LEU C C 39 177.740 177.740 177.672 0.068 18302 7114 1 17 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.576 -1.273 18302 7115 1 17 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.341 -0.567 18302 7116 1 17 . 1 1 39 39 LEU H H 39 7.419 7.419 7.607 -0.188 18302 7117 1 17 . 1 1 40 40 GLY N N 40 107.175 107.175 106.624 0.551 18302 7118 1 17 . 1 1 40 40 GLY C C 40 174.723 174.723 173.918 0.805 18302 7119 1 17 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.821 0.679 18302 7120 1 17 . 1 1 40 40 GLY H H 40 7.900 7.900 8.071 -0.171 18302 7121 1 17 . 1 1 41 41 GLN N N 41 117.918 117.918 119.874 -1.956 18302 7122 1 17 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.481 -0.351 18302 7123 1 17 . 1 1 41 41 GLN C C 41 174.428 174.428 176.085 -1.657 18302 7124 1 17 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.671 0.329 18302 7125 1 17 . 1 1 41 41 GLN CB C 41 29.820 29.820 30.299 -0.479 18302 7126 1 17 . 1 1 41 41 GLN H H 41 7.746 7.746 7.584 0.162 18302 7127 1 17 . 1 1 42 42 ASN N N 42 119.000 119.000 124.381 -5.381 18302 7128 1 17 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.616 -0.016 18302 7129 1 17 . 1 1 42 42 ASN H H 42 8.250 8.250 8.586 -0.336 18302 7130 1 17 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.372 0.828 18302 7131 1 17 . 1 1 43 43 PRO C C 43 177.909 177.909 176.174 1.735 18302 7132 1 17 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.599 -1.315 18302 7133 1 17 . 1 1 43 43 PRO CB C 43 31.733 31.733 32.228 -0.496 18302 7134 1 17 . 1 1 44 44 THR N N 44 113.390 113.390 118.099 -4.709 18302 7135 1 17 . 1 1 44 44 THR HA H 44 4.450 4.450 4.403 0.047 18302 7136 1 17 . 1 1 44 44 THR C C 44 175.483 175.483 174.746 0.737 18302 7137 1 17 . 1 1 44 44 THR CA C 44 60.526 60.526 62.913 -2.387 18302 7138 1 17 . 1 1 44 44 THR CB C 44 71.541 71.541 68.727 2.814 18302 7139 1 17 . 1 1 44 44 THR H H 44 8.982 8.982 8.188 0.794 18302 7140 1 17 . 1 1 45 45 GLU N N 45 120.632 120.632 124.160 -3.528 18302 7141 1 17 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.025 -0.075 18302 7142 1 17 . 1 1 45 45 GLU C C 45 179.348 179.348 176.832 2.516 18302 7143 1 17 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.291 -0.291 18302 7144 1 17 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.541 0.192 18302 7145 1 17 . 1 1 45 45 GLU H H 45 8.854 8.854 8.632 0.222 18302 7146 1 17 . 1 1 46 46 THR N N 46 121.035 121.035 120.963 0.072 18302 7147 1 17 . 1 1 46 46 THR HA H 46 4.121 4.121 4.469 -0.348 18302 7148 1 17 . 1 1 46 46 THR C C 46 175.463 175.463 176.886 -1.423 18302 7149 1 17 . 1 1 46 46 THR CA C 46 62.324 62.324 64.686 -2.361 18302 7150 1 17 . 1 1 46 46 THR CB C 46 70.088 70.088 68.327 1.761 18302 7151 1 17 . 1 1 46 46 THR H H 46 8.295 8.295 8.290 0.005 18302 7152 1 17 . 1 1 47 47 GLY N N 47 111.232 111.232 108.655 2.577 18302 7153 1 17 . 1 1 47 47 GLY HA H 47 3.937 3.937 3.952 -0.015 18302 7154 1 17 . 1 1 47 47 GLY C C 47 174.998 174.998 177.323 -2.325 18302 7155 1 17 . 1 1 47 47 GLY CA C 47 45.921 45.921 48.206 -2.285 18302 7156 1 17 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.386 0.434 18302 7157 1 17 . 1 1 47 47 GLY H H 47 8.720 8.720 7.582 1.138 18302 7158 1 17 . 1 1 48 48 ALA N N 48 124.417 124.417 121.020 3.397 18302 7159 1 17 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.991 0.291 18302 7160 1 17 . 1 1 48 48 ALA C C 48 177.866 177.866 179.762 -1.896 18302 7161 1 17 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.117 -1.292 18302 7162 1 17 . 1 1 48 48 ALA CB C 48 19.387 19.387 17.884 1.503 18302 7163 1 17 . 1 1 48 48 ALA H H 48 8.365 8.365 7.562 0.803 18302 7164 1 17 . 1 1 49 49 ALA N N 49 122.129 122.129 121.799 0.330 18302 7165 1 17 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.833 0.413 18302 7166 1 17 . 1 1 49 49 ALA C C 49 178.647 178.647 180.149 -1.502 18302 7167 1 17 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.713 -2.542 18302 7168 1 17 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.563 -2.414 18302 7169 1 17 . 1 1 49 49 ALA H H 49 8.318 8.318 7.928 0.390 18302 7170 1 17 . 1 1 50 50 LEU N N 50 120.817 120.817 120.153 0.664 18302 7171 1 17 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.186 -0.061 18302 7172 1 17 . 1 1 50 50 LEU C C 50 177.367 177.367 178.599 -1.232 18302 7173 1 17 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.433 -1.707 18302 7174 1 17 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.131 -0.031 18302 7175 1 17 . 1 1 50 50 LEU H H 50 8.126 8.126 7.819 0.307 18302 7176 1 17 . 1 1 51 51 SER N N 51 116.273 116.273 114.190 2.083 18302 7177 1 17 . 1 1 51 51 SER HA H 51 4.057 4.057 4.186 -0.129 18302 7178 1 17 . 1 1 51 51 SER C C 51 175.939 175.939 176.764 -0.825 18302 7179 1 17 . 1 1 51 51 SER CA C 51 61.429 61.429 60.395 1.034 18302 7180 1 17 . 1 1 51 51 SER CB C 51 28.648 28.648 32.601 -3.953 18302 7181 1 17 . 1 1 51 51 SER H H 51 7.917 7.917 7.686 0.231 18302 7182 1 17 . 1 1 52 52 TRP N N 52 123.132 123.132 120.786 2.346 18302 7183 1 17 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.018 0.579 18302 7184 1 17 . 1 1 52 52 TRP C C 52 178.377 178.377 178.081 0.296 18302 7185 1 17 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.691 -0.026 18302 7186 1 17 . 1 1 52 52 TRP CB C 52 29.388 29.388 29.002 0.386 18302 7187 1 17 . 1 1 52 52 TRP H H 52 8.732 8.732 8.826 -0.094 18302 7188 1 17 . 1 1 53 53 GLN N N 53 117.115 117.115 116.852 0.263 18302 7189 1 17 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.976 -0.007 18302 7190 1 17 . 1 1 53 53 GLN C C 53 177.779 177.779 176.807 0.972 18302 7191 1 17 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.722 0.610 18302 7192 1 17 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.823 -0.673 18302 7193 1 17 . 1 1 53 53 GLN H H 53 8.480 8.480 7.879 0.601 18302 7194 1 17 . 1 1 54 54 ALA N N 54 120.557 120.557 122.127 -1.570 18302 7195 1 17 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.248 0.020 18302 7196 1 17 . 1 1 54 54 ALA C C 54 181.023 181.023 178.919 2.104 18302 7197 1 17 . 1 1 54 54 ALA CA C 54 54.640 54.640 53.595 1.045 18302 7198 1 17 . 1 1 54 54 ALA CB C 54 18.609 18.609 20.228 -1.619 18302 7199 1 17 . 1 1 54 54 ALA H H 54 8.003 8.003 7.467 0.536 18302 7200 1 17 . 1 1 55 55 ALA N N 55 122.442 122.442 117.798 4.644 18302 7201 1 17 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.110 0.007 18302 7202 1 17 . 1 1 55 55 ALA C C 55 179.069 179.069 177.404 1.665 18302 7203 1 17 . 1 1 55 55 ALA CA C 55 55.478 55.478 53.064 2.414 18302 7204 1 17 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.515 -0.280 18302 7205 1 17 . 1 1 55 55 ALA H H 55 8.283 8.283 7.672 0.611 18302 7206 1 17 . 1 1 56 56 ILE N N 56 119.035 119.035 120.212 -1.177 18302 7207 1 17 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.037 -0.226 18302 7208 1 17 . 1 1 56 56 ILE C C 56 177.968 177.968 176.168 1.800 18302 7209 1 17 . 1 1 56 56 ILE CA C 56 65.950 65.950 61.268 4.682 18302 7210 1 17 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.950 -0.635 18302 7211 1 17 . 1 1 56 56 ILE H H 56 8.682 8.682 7.235 1.447 18302 7212 1 17 . 1 1 57 57 ASP N N 57 119.160 119.160 127.686 -8.526 18302 7213 1 17 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.406 -0.006 18302 7214 1 17 . 1 1 57 57 ASP C C 57 179.117 179.117 177.447 1.670 18302 7215 1 17 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.181 -2.491 18302 7216 1 17 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.134 -0.494 18302 7217 1 17 . 1 1 57 57 ASP H H 57 8.393 8.393 8.726 -0.333 18302 7218 1 17 . 1 1 58 58 ALA N N 58 122.077 122.077 119.748 2.329 18302 7219 1 17 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.365 0.135 18302 7220 1 17 . 1 1 58 58 ALA C C 58 180.605 180.605 178.403 2.202 18302 7221 1 17 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.961 3.007 18302 7222 1 17 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.391 -0.857 18302 7223 1 17 . 1 1 58 58 ALA H H 58 8.153 8.153 7.953 0.200 18302 7224 1 17 . 1 1 59 59 ALA N N 59 123.120 123.120 121.504 1.616 18302 7225 1 17 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.919 0.127 18302 7226 1 17 . 1 1 59 59 ALA C C 59 180.385 180.385 177.849 2.536 18302 7227 1 17 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.471 2.458 18302 7228 1 17 . 1 1 59 59 ALA H H 59 8.807 8.807 8.621 0.186 18302 7229 1 17 . 1 1 60 60 ARG N N 60 119.705 119.705 121.095 -1.390 18302 7230 1 17 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.298 -0.310 18302 7231 1 17 . 1 1 60 60 ARG C C 60 179.348 179.348 177.029 2.319 18302 7232 1 17 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.074 3.534 18302 7233 1 17 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.441 -0.145 18302 7234 1 17 . 1 1 60 60 ARG H H 60 8.674 8.674 8.319 0.355 18302 7235 1 17 . 1 1 61 61 GLN N N 61 119.132 119.132 119.410 -0.278 18302 7236 1 17 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.927 0.169 18302 7237 1 17 . 1 1 61 61 GLN C C 61 177.615 177.615 174.855 2.760 18302 7238 1 17 . 1 1 61 61 GLN CA C 61 58.230 58.230 56.387 1.843 18302 7239 1 17 . 1 1 61 61 GLN H H 61 8.053 8.053 8.720 -0.667 18302 7240 1 17 . 1 1 62 62 ALA N N 62 120.910 120.910 119.021 1.889 18302 7241 1 17 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.329 -1.152 18302 7242 1 17 . 1 1 62 62 ALA C C 62 179.311 179.311 176.497 2.814 18302 7243 1 17 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.617 4.330 18302 7244 1 17 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.450 -3.914 18302 7245 1 17 . 1 1 62 62 ALA H H 62 7.920 7.920 8.406 -0.486 18302 7246 1 17 . 1 1 63 63 LYS N N 63 117.863 117.863 122.973 -5.110 18302 7247 1 17 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.828 -0.672 18302 7248 1 17 . 1 1 63 63 LYS C C 63 178.324 178.324 176.191 2.133 18302 7249 1 17 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.495 4.391 18302 7250 1 17 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.318 -0.538 18302 7251 1 17 . 1 1 63 63 LYS H H 63 7.680 7.680 8.546 -0.866 18302 7252 1 17 . 1 1 64 64 LEU N N 64 119.697 119.697 128.985 -9.288 18302 7253 1 17 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.634 -0.441 18302 7254 1 17 . 1 1 64 64 LEU C C 64 178.459 178.459 178.177 0.282 18302 7255 1 17 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.229 2.214 18302 7256 1 17 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.224 -1.063 18302 7257 1 17 . 1 1 64 64 LEU H H 64 7.895 7.895 8.005 -0.110 18302 7258 1 17 . 1 1 65 65 MET N N 65 117.184 117.184 121.281 -4.097 18302 7259 1 17 . 1 1 65 65 MET HA H 65 4.472 4.472 4.187 0.285 18302 7260 1 17 . 1 1 65 65 MET C C 65 177.053 177.053 174.781 2.272 18302 7261 1 17 . 1 1 65 65 MET CA C 65 55.889 55.889 58.879 -2.990 18302 7262 1 17 . 1 1 65 65 MET CB C 65 33.010 33.010 30.110 2.901 18302 7263 1 17 . 1 1 65 65 MET H H 65 7.958 7.958 9.082 -1.124 18302 7264 1 17 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.107 0.743 18302 7265 1 17 . 1 1 66 66 GLY C C 66 174.137 174.137 176.078 -1.941 18302 7266 1 17 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.297 -1.708 18302 7267 1 17 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.654 0.179 18302 7268 1 17 . 1 1 67 67 SER N N 67 115.622 115.622 113.680 1.942 18302 7269 1 17 . 1 1 67 67 SER HA H 67 4.472 4.472 4.056 0.416 18302 7270 1 17 . 1 1 67 67 SER C C 67 173.300 173.300 176.754 -3.454 18302 7271 1 17 . 1 1 67 67 SER CA C 67 58.182 58.182 61.270 -3.088 18302 7272 1 17 . 1 1 67 67 SER CB C 67 64.389 64.389 62.645 1.744 18302 7273 1 17 . 1 1 67 67 SER H H 67 8.127 8.127 8.243 -0.116 18302 7274 1 17 . 1 1 68 68 ALA N N 68 131.351 131.351 123.449 7.902 18302 7275 1 17 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.947 0.253 18302 7276 1 17 . 1 1 68 68 ALA C C 68 176.792 176.792 177.176 -0.384 18302 7277 1 17 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.578 -1.462 18302 7278 1 17 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.416 0.832 18302 7279 1 17 . 1 1 68 68 ALA H H 68 7.984 7.984 7.718 0.266 18302 7280 1 17 . 1 1 69 69 LEU N N 69 119.986 119.986 118.121 1.865 18302 7281 1 17 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.886 -0.536 18302 7282 1 17 . 1 1 69 69 LEU C C 69 178.468 178.468 178.231 0.237 18302 7283 1 17 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.864 0.055 18302 7284 1 17 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.381 -0.381 18302 7285 1 17 . 1 1 69 69 LEU H H 69 9.062 9.062 7.840 1.222 18302 7286 1 17 . 1 1 70 70 THR N N 70 114.834 114.834 114.957 -0.123 18302 7287 1 17 . 1 1 70 70 THR HA H 70 4.100 4.100 3.984 0.116 18302 7288 1 17 . 1 1 70 70 THR C C 70 176.391 176.391 176.662 -0.271 18302 7289 1 17 . 1 1 70 70 THR CA C 70 61.833 61.833 66.072 -4.239 18302 7290 1 17 . 1 1 70 70 THR CB C 70 68.267 68.267 69.052 -0.785 18302 7291 1 17 . 1 1 70 70 THR H H 70 7.710 7.710 7.458 0.252 18302 7292 1 17 . 1 1 71 71 MET N N 71 120.233 120.233 121.832 -1.599 18302 7293 1 17 . 1 1 71 71 MET HA H 71 3.850 3.850 4.022 -0.172 18302 7294 1 17 . 1 1 71 71 MET C C 71 178.145 178.145 177.953 0.192 18302 7295 1 17 . 1 1 71 71 MET CA C 71 58.768 58.768 58.395 0.373 18302 7296 1 17 . 1 1 71 71 MET CB C 71 31.233 31.233 32.395 -1.162 18302 7297 1 17 . 1 1 71 71 MET H H 71 7.034 7.034 8.381 -1.347 18302 7298 1 17 . 1 1 72 72 MET N N 72 118.621 118.621 116.654 1.967 18302 7299 1 17 . 1 1 72 72 MET HA H 72 3.800 3.800 4.391 -0.591 18302 7300 1 17 . 1 1 72 72 MET C C 72 178.930 178.930 176.968 1.962 18302 7301 1 17 . 1 1 72 72 MET CA C 72 56.500 56.500 56.746 -0.246 18302 7302 1 17 . 1 1 72 72 MET CB C 72 32.733 32.733 32.222 0.511 18302 7303 1 17 . 1 1 72 72 MET H H 72 7.839 7.839 7.971 -0.132 18302 7304 1 17 . 1 1 73 73 ALA N N 73 120.567 120.567 121.190 -0.623 18302 7305 1 17 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.367 -0.232 18302 7306 1 17 . 1 1 73 73 ALA C C 73 179.332 179.332 177.860 1.472 18302 7307 1 17 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.149 1.931 18302 7308 1 17 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.108 0.345 18302 7309 1 17 . 1 1 73 73 ALA H H 73 8.240 8.240 7.871 0.369 18302 7310 1 17 . 1 1 74 74 ARG N N 74 116.784 116.784 117.852 -1.068 18302 7311 1 17 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.280 -0.143 18302 7312 1 17 . 1 1 74 74 ARG C C 74 177.511 177.511 176.836 0.675 18302 7313 1 17 . 1 1 74 74 ARG CA C 74 57.596 57.596 55.649 1.947 18302 7314 1 17 . 1 1 74 74 ARG CB C 74 30.406 30.406 29.552 0.854 18302 7315 1 17 . 1 1 74 74 ARG H H 74 7.382 7.382 8.035 -0.653 18302 7316 1 17 . 1 1 75 75 LYS N N 75 118.548 118.548 119.854 -1.306 18302 7317 1 17 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.167 0.139 18302 7318 1 17 . 1 1 75 75 LYS C C 75 176.937 176.937 177.785 -0.848 18302 7319 1 17 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.763 -1.763 18302 7320 1 17 . 1 1 75 75 LYS CB C 75 32.750 32.750 32.934 -0.184 18302 7321 1 17 . 1 1 75 75 LYS H H 75 7.732 7.732 7.581 0.151 18302 7322 1 17 . 1 1 76 76 MET N N 76 120.367 120.367 118.914 1.453 18302 7323 1 17 . 1 1 76 76 MET HA H 76 4.443 4.443 4.424 0.019 18302 7324 1 17 . 1 1 76 76 MET C C 76 175.539 175.539 176.839 -1.300 18302 7325 1 17 . 1 1 76 76 MET CA C 76 55.500 55.500 56.815 -1.315 18302 7326 1 17 . 1 1 76 76 MET CB C 76 32.733 32.733 32.500 0.233 18302 7327 1 17 . 1 1 76 76 MET H H 76 7.863 7.863 8.307 -0.444 18302 7328 1 18 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.627 -0.011 18302 7329 1 18 . 1 1 2 2 ASP C C 2 175.975 175.975 176.178 -0.203 18302 7330 1 18 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.580 0.086 18302 7331 1 18 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.533 -0.345 18302 7332 1 18 . 1 1 3 3 GLN N N 3 119.995 119.995 120.802 -0.807 18302 7333 1 18 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.500 -0.117 18302 7334 1 18 . 1 1 3 3 GLN C C 3 175.927 175.927 176.452 -0.525 18302 7335 1 18 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.195 -2.542 18302 7336 1 18 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.871 -0.637 18302 7337 1 18 . 1 1 3 3 GLN H H 3 8.414 8.414 8.315 0.099 18302 7338 1 18 . 1 1 4 4 LEU N N 4 123.586 123.586 123.081 0.505 18302 7339 1 18 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.237 0.433 18302 7340 1 18 . 1 1 4 4 LEU C C 4 177.983 177.983 177.295 0.688 18302 7341 1 18 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.115 -1.449 18302 7342 1 18 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.603 0.929 18302 7343 1 18 . 1 1 4 4 LEU H H 4 8.352 8.352 8.293 0.059 18302 7344 1 18 . 1 1 5 5 THR N N 5 113.292 113.292 112.888 0.404 18302 7345 1 18 . 1 1 5 5 THR HA H 5 4.470 4.470 4.312 0.158 18302 7346 1 18 . 1 1 5 5 THR C C 5 175.729 175.729 174.447 1.282 18302 7347 1 18 . 1 1 5 5 THR CA C 5 60.526 60.526 61.633 -1.107 18302 7348 1 18 . 1 1 5 5 THR CB C 5 71.541 71.541 70.039 1.502 18302 7349 1 18 . 1 1 5 5 THR H H 5 8.735 8.735 7.924 0.811 18302 7350 1 18 . 1 1 6 6 GLU N N 6 120.507 120.507 122.466 -1.959 18302 7351 1 18 . 1 1 6 6 GLU HA H 6 3.991 3.991 4.012 -0.021 18302 7352 1 18 . 1 1 6 6 GLU C C 6 179.816 179.816 177.613 2.203 18302 7353 1 18 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.480 -0.540 18302 7354 1 18 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.709 -0.475 18302 7355 1 18 . 1 1 6 6 GLU H H 6 9.060 9.060 8.805 0.255 18302 7356 1 18 . 1 1 7 7 GLU N N 7 120.000 120.000 119.241 0.759 18302 7357 1 18 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.813 0.272 18302 7358 1 18 . 1 1 7 7 GLU C C 7 179.588 179.588 178.427 1.161 18302 7359 1 18 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.912 0.028 18302 7360 1 18 . 1 1 7 7 GLU CB C 7 28.833 28.833 29.254 -0.421 18302 7361 1 18 . 1 1 7 7 GLU H H 7 8.770 8.770 8.141 0.629 18302 7362 1 18 . 1 1 8 8 GLN N N 8 120.798 120.798 119.542 1.256 18302 7363 1 18 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.042 -0.212 18302 7364 1 18 . 1 1 8 8 GLN C C 8 178.179 178.179 178.565 -0.386 18302 7365 1 18 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.219 -0.899 18302 7366 1 18 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.217 1.016 18302 7367 1 18 . 1 1 8 8 GLN H H 8 7.755 7.755 8.323 -0.568 18302 7368 1 18 . 1 1 9 9 ILE N N 9 119.028 119.028 117.032 1.996 18302 7369 1 18 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.909 -0.309 18302 7370 1 18 . 1 1 9 9 ILE C C 9 178.147 178.147 178.077 0.070 18302 7371 1 18 . 1 1 9 9 ILE CA C 9 66.620 66.620 65.111 1.509 18302 7372 1 18 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.282 0.370 18302 7373 1 18 . 1 1 9 9 ILE H H 9 8.253 8.253 7.498 0.755 18302 7374 1 18 . 1 1 10 10 ALA N N 10 120.587 120.587 122.219 -1.632 18302 7375 1 18 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.902 0.238 18302 7376 1 18 . 1 1 10 10 ALA C C 10 181.279 181.279 179.638 1.641 18302 7377 1 18 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.268 -0.016 18302 7378 1 18 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.783 -0.283 18302 7379 1 18 . 1 1 10 10 ALA H H 10 8.051 8.051 8.281 -0.230 18302 7380 1 18 . 1 1 11 11 GLU N N 11 120.436 120.436 120.387 0.049 18302 7381 1 18 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.143 0.052 18302 7382 1 18 . 1 1 11 11 GLU C C 11 180.542 180.542 178.753 1.789 18302 7383 1 18 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.283 0.071 18302 7384 1 18 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.750 -0.516 18302 7385 1 18 . 1 1 11 11 GLU H H 11 7.795 7.795 8.483 -0.688 18302 7386 1 18 . 1 1 12 12 PHE N N 12 120.654 120.654 120.151 0.503 18302 7387 1 18 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.548 0.502 18302 7388 1 18 . 1 1 12 12 PHE C C 12 179.155 179.155 177.424 1.731 18302 7389 1 18 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.840 -2.080 18302 7390 1 18 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.580 -1.580 18302 7391 1 18 . 1 1 12 12 PHE H H 12 8.541 8.541 8.329 0.212 18302 7392 1 18 . 1 1 13 13 LYS N N 13 123.600 123.600 120.012 3.588 18302 7393 1 18 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.225 0.768 18302 7394 1 18 . 1 1 13 13 LYS C C 13 179.523 179.523 178.580 0.943 18302 7395 1 18 . 1 1 13 13 LYS CA C 13 59.940 59.940 58.869 1.071 18302 7396 1 18 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.435 0.298 18302 7397 1 18 . 1 1 13 13 LYS H H 13 9.279 9.279 7.436 1.843 18302 7398 1 18 . 1 1 14 14 GLU N N 14 121.150 121.150 119.011 2.139 18302 7399 1 18 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.866 0.255 18302 7400 1 18 . 1 1 14 14 GLU C C 14 179.859 179.859 178.759 1.100 18302 7401 1 18 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.367 -0.013 18302 7402 1 18 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.367 0.366 18302 7403 1 18 . 1 1 14 14 GLU H H 14 8.036 8.036 7.911 0.125 18302 7404 1 18 . 1 1 15 15 ALA N N 15 122.010 122.010 122.256 -0.246 18302 7405 1 18 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.809 0.540 18302 7406 1 18 . 1 1 15 15 ALA C C 15 178.785 178.785 179.080 -0.295 18302 7407 1 18 . 1 1 15 15 ALA CA C 15 55.252 55.252 55.214 0.038 18302 7408 1 18 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.654 -0.654 18302 7409 1 18 . 1 1 15 15 ALA H H 15 8.034 8.034 7.871 0.163 18302 7410 1 18 . 1 1 16 16 PHE N N 16 119.032 119.032 119.122 -0.090 18302 7411 1 18 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.889 -0.589 18302 7412 1 18 . 1 1 16 16 PHE C C 16 178.534 178.534 177.125 1.409 18302 7413 1 18 . 1 1 16 16 PHE CA C 16 62.000 62.000 60.201 1.799 18302 7414 1 18 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.771 1.229 18302 7415 1 18 . 1 1 16 16 PHE H H 16 8.633 8.633 8.381 0.252 18302 7416 1 18 . 1 1 17 17 SER N N 17 113.786 113.786 114.858 -1.072 18302 7417 1 18 . 1 1 17 17 SER HA H 17 4.100 4.100 3.272 0.828 18302 7418 1 18 . 1 1 17 17 SER C C 17 174.639 174.639 176.047 -1.408 18302 7419 1 18 . 1 1 17 17 SER CA C 17 61.500 61.500 60.757 0.743 18302 7420 1 18 . 1 1 17 17 SER CB C 17 63.500 63.500 62.782 0.717 18302 7421 1 18 . 1 1 17 17 SER H H 17 8.215 8.215 8.059 0.156 18302 7422 1 18 . 1 1 18 18 LEU N N 18 120.113 120.113 119.680 0.433 18302 7423 1 18 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.750 0.130 18302 7424 1 18 . 1 1 18 18 LEU C C 18 177.151 177.151 178.721 -1.570 18302 7425 1 18 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.483 -0.983 18302 7426 1 18 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.594 -0.094 18302 7427 1 18 . 1 1 18 18 LEU H H 18 7.417 7.417 7.436 -0.019 18302 7428 1 18 . 1 1 19 19 PHE N N 19 112.070 112.070 116.960 -4.890 18302 7429 1 18 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.160 0.240 18302 7430 1 18 . 1 1 19 19 PHE C C 19 175.699 175.699 176.841 -1.142 18302 7431 1 18 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.494 -1.094 18302 7432 1 18 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.896 3.004 18302 7433 1 18 . 1 1 19 19 PHE H H 19 7.043 7.043 7.357 -0.314 18302 7434 1 18 . 1 1 20 20 ASP N N 20 116.223 116.223 119.411 -3.188 18302 7435 1 18 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.754 -0.154 18302 7436 1 18 . 1 1 20 20 ASP C C 20 177.625 177.625 177.275 0.350 18302 7437 1 18 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.349 -2.027 18302 7438 1 18 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.683 -0.253 18302 7439 1 18 . 1 1 20 20 ASP H H 20 7.484 7.484 7.802 -0.318 18302 7440 1 18 . 1 1 21 21 LYS N N 21 124.544 124.544 123.319 1.225 18302 7441 1 18 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.962 0.038 18302 7442 1 18 . 1 1 21 21 LYS C C 21 178.513 178.513 177.671 0.842 18302 7443 1 18 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.259 -0.559 18302 7444 1 18 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.110 2.090 18302 7445 1 18 . 1 1 21 21 LYS H H 21 7.601 7.601 8.452 -0.851 18302 7446 1 18 . 1 1 22 22 ASP N N 22 114.320 114.320 115.334 -1.014 18302 7447 1 18 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.454 0.180 18302 7448 1 18 . 1 1 22 22 ASP C C 22 178.039 178.039 177.687 0.352 18302 7449 1 18 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.333 -1.425 18302 7450 1 18 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.965 0.051 18302 7451 1 18 . 1 1 22 22 ASP H H 22 8.241 8.241 8.225 0.016 18302 7452 1 18 . 1 1 23 23 GLY N N 23 109.478 109.478 109.281 0.197 18302 7453 1 18 . 1 1 23 23 GLY C C 23 175.427 175.427 174.745 0.682 18302 7454 1 18 . 1 1 23 23 GLY CA C 23 47.048 47.048 45.842 1.206 18302 7455 1 18 . 1 1 23 23 GLY H H 23 7.680 7.680 8.232 -0.552 18302 7456 1 18 . 1 1 24 24 ASP N N 24 121.007 121.007 120.116 0.891 18302 7457 1 18 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.654 -0.154 18302 7458 1 18 . 1 1 24 24 ASP C C 24 177.660 177.660 177.686 -0.026 18302 7459 1 18 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.005 1.075 18302 7460 1 18 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.092 -0.490 18302 7461 1 18 . 1 1 24 24 ASP H H 24 8.523 8.523 8.492 0.031 18302 7462 1 18 . 1 1 25 25 GLY N N 25 112.961 112.961 109.494 3.467 18302 7463 1 18 . 1 1 25 25 GLY C C 25 174.198 174.198 173.698 0.500 18302 7464 1 18 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.802 -0.512 18302 7465 1 18 . 1 1 25 25 GLY H H 25 10.539 10.539 9.163 1.376 18302 7466 1 18 . 1 1 26 26 THR N N 26 112.593 112.593 110.262 2.331 18302 7467 1 18 . 1 1 26 26 THR HA H 26 5.560 5.560 4.957 0.603 18302 7468 1 18 . 1 1 26 26 THR C C 26 173.991 173.991 173.109 0.882 18302 7469 1 18 . 1 1 26 26 THR CA C 26 59.500 59.500 59.682 -0.182 18302 7470 1 18 . 1 1 26 26 THR CB C 26 73.299 73.299 72.623 0.676 18302 7471 1 18 . 1 1 26 26 THR H H 26 8.304 8.304 8.620 -0.316 18302 7472 1 18 . 1 1 27 27 ILE N N 27 126.868 126.868 122.449 4.419 18302 7473 1 18 . 1 1 27 27 ILE HA H 27 4.750 4.750 5.053 -0.303 18302 7474 1 18 . 1 1 27 27 ILE C C 27 176.338 176.338 175.891 0.447 18302 7475 1 18 . 1 1 27 27 ILE CA C 27 61.112 61.112 59.950 1.162 18302 7476 1 18 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.726 -0.726 18302 7477 1 18 . 1 1 27 27 ILE H H 27 9.988 9.988 8.140 1.848 18302 7478 1 18 . 1 1 28 28 THR N N 28 116.237 116.237 122.109 -5.872 18302 7479 1 18 . 1 1 28 28 THR HA H 28 4.850 4.850 4.761 0.089 18302 7480 1 18 . 1 1 28 28 THR C C 28 176.422 176.422 174.869 1.553 18302 7481 1 18 . 1 1 28 28 THR CA C 28 59.000 59.000 60.411 -1.411 18302 7482 1 18 . 1 1 28 28 THR CB C 28 72.713 72.713 70.674 2.038 18302 7483 1 18 . 1 1 28 28 THR H H 28 8.233 8.233 8.416 -0.183 18302 7484 1 18 . 1 1 29 29 THR N N 29 114.660 114.660 114.812 -0.152 18302 7485 1 18 . 1 1 29 29 THR HA H 29 3.800 3.800 3.973 -0.173 18302 7486 1 18 . 1 1 29 29 THR C C 29 177.772 177.772 176.403 1.369 18302 7487 1 18 . 1 1 29 29 THR CA C 29 66.767 66.767 66.431 0.336 18302 7488 1 18 . 1 1 29 29 THR CB C 29 68.611 68.611 68.890 -0.279 18302 7489 1 18 . 1 1 29 29 THR H H 29 9.316 9.316 8.528 0.788 18302 7490 1 18 . 1 1 30 30 LYS N N 30 121.300 121.300 121.367 -0.067 18302 7491 1 18 . 1 1 30 30 LYS HA H 30 4.128 4.128 3.974 0.154 18302 7492 1 18 . 1 1 30 30 LYS C C 30 180.194 180.194 178.929 1.265 18302 7493 1 18 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.064 -0.710 18302 7494 1 18 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.393 0.771 18302 7495 1 18 . 1 1 30 30 LYS H H 30 7.900 7.900 8.558 -0.658 18302 7496 1 18 . 1 1 31 31 GLU N N 31 122.184 122.184 119.729 2.455 18302 7497 1 18 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.033 -0.033 18302 7498 1 18 . 1 1 31 31 GLU C C 31 178.964 178.964 179.124 -0.160 18302 7499 1 18 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.824 0.116 18302 7500 1 18 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.348 0.472 18302 7501 1 18 . 1 1 31 31 GLU H H 31 7.900 7.900 8.327 -0.427 18302 7502 1 18 . 1 1 32 32 LEU N N 32 120.000 120.000 120.430 -0.430 18302 7503 1 18 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.166 -0.016 18302 7504 1 18 . 1 1 32 32 LEU C C 32 179.190 179.190 178.723 0.467 18302 7505 1 18 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.033 0.149 18302 7506 1 18 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.650 0.710 18302 7507 1 18 . 1 1 32 32 LEU H H 32 8.600 8.600 8.400 0.200 18302 7508 1 18 . 1 1 33 33 GLY N N 33 105.412 105.412 106.239 -0.827 18302 7509 1 18 . 1 1 33 33 GLY C C 33 175.371 175.371 175.917 -0.546 18302 7510 1 18 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.876 0.930 18302 7511 1 18 . 1 1 33 33 GLY H H 33 8.730 8.730 8.575 0.155 18302 7512 1 18 . 1 1 34 34 THR N N 34 118.762 118.762 119.475 -0.713 18302 7513 1 18 . 1 1 34 34 THR HA H 34 3.950 3.950 3.984 -0.034 18302 7514 1 18 . 1 1 34 34 THR C C 34 177.681 177.681 176.618 1.063 18302 7515 1 18 . 1 1 34 34 THR CA C 34 66.767 66.767 67.929 -1.162 18302 7516 1 18 . 1 1 34 34 THR CB C 34 69.197 69.197 68.474 0.723 18302 7517 1 18 . 1 1 34 34 THR H H 34 8.104 8.104 8.235 -0.131 18302 7518 1 18 . 1 1 35 35 VAL N N 35 122.943 122.943 121.811 1.132 18302 7519 1 18 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.607 0.063 18302 7520 1 18 . 1 1 35 35 VAL C C 35 179.691 179.691 178.169 1.522 18302 7521 1 18 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.699 -0.132 18302 7522 1 18 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.673 0.160 18302 7523 1 18 . 1 1 35 35 VAL H H 35 8.230 8.230 7.597 0.633 18302 7524 1 18 . 1 1 36 36 MET N N 36 118.074 118.074 117.400 0.674 18302 7525 1 18 . 1 1 36 36 MET HA H 36 4.124 4.124 4.220 -0.096 18302 7526 1 18 . 1 1 36 36 MET C C 36 179.518 179.518 178.338 1.180 18302 7527 1 18 . 1 1 36 36 MET CA C 36 58.400 58.400 57.517 0.883 18302 7528 1 18 . 1 1 36 36 MET CB C 36 31.233 31.233 31.417 -0.184 18302 7529 1 18 . 1 1 36 36 MET H H 36 8.746 8.746 8.564 0.182 18302 7530 1 18 . 1 1 37 37 ARG N N 37 118.931 118.931 121.397 -2.466 18302 7531 1 18 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.315 0.535 18302 7532 1 18 . 1 1 37 37 ARG C C 37 181.608 181.608 179.679 1.929 18302 7533 1 18 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.440 -0.086 18302 7534 1 18 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.370 -0.550 18302 7535 1 18 . 1 1 37 37 ARG H H 37 8.559 8.559 8.788 -0.229 18302 7536 1 18 . 1 1 38 38 SER N N 38 119.164 119.164 116.731 2.433 18302 7537 1 18 . 1 1 38 38 SER HA H 38 4.445 4.445 4.222 0.223 18302 7538 1 18 . 1 1 38 38 SER C C 38 175.212 175.212 176.107 -0.895 18302 7539 1 18 . 1 1 38 38 SER CA C 38 61.698 61.698 61.582 0.116 18302 7540 1 18 . 1 1 38 38 SER CB C 38 62.733 62.733 62.688 0.045 18302 7541 1 18 . 1 1 38 38 SER H H 38 8.075 8.075 8.523 -0.448 18302 7542 1 18 . 1 1 39 39 LEU N N 39 120.667 120.667 118.539 2.128 18302 7543 1 18 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.401 -0.171 18302 7544 1 18 . 1 1 39 39 LEU C C 39 177.740 177.740 177.383 0.357 18302 7545 1 18 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.355 -1.052 18302 7546 1 18 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.748 -0.974 18302 7547 1 18 . 1 1 39 39 LEU H H 39 7.419 7.419 7.542 -0.123 18302 7548 1 18 . 1 1 40 40 GLY N N 40 107.175 107.175 106.408 0.767 18302 7549 1 18 . 1 1 40 40 GLY C C 40 174.723 174.723 174.077 0.646 18302 7550 1 18 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.637 0.863 18302 7551 1 18 . 1 1 40 40 GLY H H 40 7.900 7.900 8.001 -0.101 18302 7552 1 18 . 1 1 41 41 GLN N N 41 117.918 117.918 120.346 -2.428 18302 7553 1 18 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.556 -0.426 18302 7554 1 18 . 1 1 41 41 GLN C C 41 174.428 174.428 175.189 -0.761 18302 7555 1 18 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.284 0.716 18302 7556 1 18 . 1 1 41 41 GLN CB C 41 29.820 29.820 31.369 -1.549 18302 7557 1 18 . 1 1 41 41 GLN H H 41 7.746 7.746 8.149 -0.403 18302 7558 1 18 . 1 1 42 42 ASN N N 42 119.000 119.000 118.971 0.029 18302 7559 1 18 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.534 0.066 18302 7560 1 18 . 1 1 42 42 ASN H H 42 8.250 8.250 8.774 -0.524 18302 7561 1 18 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.305 0.895 18302 7562 1 18 . 1 1 43 43 PRO C C 43 177.909 177.909 177.154 0.755 18302 7563 1 18 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.718 -1.434 18302 7564 1 18 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.895 -0.162 18302 7565 1 18 . 1 1 44 44 THR N N 44 113.390 113.390 112.111 1.279 18302 7566 1 18 . 1 1 44 44 THR HA H 44 4.450 4.450 4.164 0.286 18302 7567 1 18 . 1 1 44 44 THR C C 44 175.483 175.483 175.835 -0.352 18302 7568 1 18 . 1 1 44 44 THR CA C 44 60.526 60.526 62.373 -1.847 18302 7569 1 18 . 1 1 44 44 THR CB C 44 71.541 71.541 69.015 2.526 18302 7570 1 18 . 1 1 44 44 THR H H 44 8.982 8.982 7.687 1.295 18302 7571 1 18 . 1 1 45 45 GLU N N 45 120.632 120.632 128.489 -7.857 18302 7572 1 18 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.936 0.014 18302 7573 1 18 . 1 1 45 45 GLU C C 45 179.348 179.348 178.257 1.091 18302 7574 1 18 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.702 -0.702 18302 7575 1 18 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.503 0.230 18302 7576 1 18 . 1 1 45 45 GLU H H 45 8.854 8.854 8.572 0.282 18302 7577 1 18 . 1 1 46 46 THR N N 46 121.035 121.035 121.724 -0.689 18302 7578 1 18 . 1 1 46 46 THR HA H 46 4.121 4.121 4.200 -0.079 18302 7579 1 18 . 1 1 46 46 THR C C 46 175.463 175.463 176.890 -1.427 18302 7580 1 18 . 1 1 46 46 THR CA C 46 62.324 62.324 65.037 -2.713 18302 7581 1 18 . 1 1 46 46 THR CB C 46 70.088 70.088 67.722 2.366 18302 7582 1 18 . 1 1 46 46 THR H H 46 8.295 8.295 8.440 -0.145 18302 7583 1 18 . 1 1 47 47 GLY N N 47 111.232 111.232 106.711 4.521 18302 7584 1 18 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.001 -0.064 18302 7585 1 18 . 1 1 47 47 GLY C C 47 174.998 174.998 177.142 -2.144 18302 7586 1 18 . 1 1 47 47 GLY CA C 47 45.921 45.921 48.021 -2.100 18302 7587 1 18 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.329 0.491 18302 7588 1 18 . 1 1 47 47 GLY H H 47 8.720 8.720 8.453 0.267 18302 7589 1 18 . 1 1 48 48 ALA N N 48 124.417 124.417 122.045 2.372 18302 7590 1 18 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.999 0.283 18302 7591 1 18 . 1 1 48 48 ALA C C 48 177.866 177.866 180.013 -2.147 18302 7592 1 18 . 1 1 48 48 ALA CA C 48 53.825 53.825 54.954 -1.129 18302 7593 1 18 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.510 0.877 18302 7594 1 18 . 1 1 48 48 ALA H H 48 8.365 8.365 7.955 0.410 18302 7595 1 18 . 1 1 49 49 ALA N N 49 122.129 122.129 119.971 2.158 18302 7596 1 18 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.862 0.384 18302 7597 1 18 . 1 1 49 49 ALA C C 49 178.647 178.647 180.339 -1.692 18302 7598 1 18 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.040 -1.869 18302 7599 1 18 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.506 -2.357 18302 7600 1 18 . 1 1 49 49 ALA H H 49 8.318 8.318 8.279 0.039 18302 7601 1 18 . 1 1 50 50 LEU N N 50 120.817 120.817 120.197 0.620 18302 7602 1 18 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.187 -0.062 18302 7603 1 18 . 1 1 50 50 LEU C C 50 177.367 177.367 178.548 -1.181 18302 7604 1 18 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.292 -1.566 18302 7605 1 18 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.107 -0.007 18302 7606 1 18 . 1 1 50 50 LEU H H 50 8.126 8.126 7.624 0.502 18302 7607 1 18 . 1 1 51 51 SER N N 51 116.273 116.273 115.577 0.696 18302 7608 1 18 . 1 1 51 51 SER HA H 51 4.057 4.057 4.055 0.002 18302 7609 1 18 . 1 1 51 51 SER C C 51 175.939 175.939 176.941 -1.002 18302 7610 1 18 . 1 1 51 51 SER CA C 51 61.429 61.429 62.452 -1.023 18302 7611 1 18 . 1 1 51 51 SER CB C 51 28.648 28.648 32.676 -4.028 18302 7612 1 18 . 1 1 51 51 SER H H 51 7.917 7.917 7.734 0.183 18302 7613 1 18 . 1 1 52 52 TRP N N 52 123.132 123.132 119.496 3.636 18302 7614 1 18 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.052 0.545 18302 7615 1 18 . 1 1 52 52 TRP C C 52 178.377 178.377 178.281 0.096 18302 7616 1 18 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.398 0.267 18302 7617 1 18 . 1 1 52 52 TRP CB C 52 29.388 29.388 28.739 0.649 18302 7618 1 18 . 1 1 52 52 TRP H H 52 8.732 8.732 8.170 0.562 18302 7619 1 18 . 1 1 53 53 GLN N N 53 117.115 117.115 117.831 -0.716 18302 7620 1 18 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.374 -0.405 18302 7621 1 18 . 1 1 53 53 GLN C C 53 177.779 177.779 177.557 0.222 18302 7622 1 18 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.019 1.313 18302 7623 1 18 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.208 -0.058 18302 7624 1 18 . 1 1 53 53 GLN H H 53 8.480 8.480 7.792 0.688 18302 7625 1 18 . 1 1 54 54 ALA N N 54 120.557 120.557 121.534 -0.977 18302 7626 1 18 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.196 0.072 18302 7627 1 18 . 1 1 54 54 ALA C C 54 181.023 181.023 179.548 1.475 18302 7628 1 18 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.093 0.547 18302 7629 1 18 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.114 -0.505 18302 7630 1 18 . 1 1 54 54 ALA H H 54 8.003 8.003 7.601 0.402 18302 7631 1 18 . 1 1 55 55 ALA N N 55 122.442 122.442 117.704 4.738 18302 7632 1 18 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.219 -0.102 18302 7633 1 18 . 1 1 55 55 ALA C C 55 179.069 179.069 178.101 0.968 18302 7634 1 18 . 1 1 55 55 ALA CA C 55 55.478 55.478 53.705 1.774 18302 7635 1 18 . 1 1 55 55 ALA CB C 55 18.235 18.235 19.427 -1.192 18302 7636 1 18 . 1 1 55 55 ALA H H 55 8.283 8.283 7.907 0.376 18302 7637 1 18 . 1 1 56 56 ILE N N 56 119.035 119.035 119.965 -0.930 18302 7638 1 18 . 1 1 56 56 ILE HA H 56 3.811 3.811 4.147 -0.336 18302 7639 1 18 . 1 1 56 56 ILE C C 56 177.968 177.968 175.203 2.765 18302 7640 1 18 . 1 1 56 56 ILE CA C 56 65.950 65.950 59.895 6.055 18302 7641 1 18 . 1 1 56 56 ILE CB C 56 38.315 38.315 36.012 2.303 18302 7642 1 18 . 1 1 56 56 ILE H H 56 8.682 8.682 7.870 0.811 18302 7643 1 18 . 1 1 57 57 ASP N N 57 119.160 119.160 122.906 -3.746 18302 7644 1 18 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.464 -0.064 18302 7645 1 18 . 1 1 57 57 ASP C C 57 179.117 179.117 177.214 1.903 18302 7646 1 18 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.071 -2.381 18302 7647 1 18 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.951 -0.311 18302 7648 1 18 . 1 1 57 57 ASP H H 57 8.393 8.393 7.818 0.575 18302 7649 1 18 . 1 1 58 58 ALA N N 58 122.077 122.077 121.235 0.842 18302 7650 1 18 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.177 0.323 18302 7651 1 18 . 1 1 58 58 ALA C C 58 180.605 180.605 177.560 3.045 18302 7652 1 18 . 1 1 58 58 ALA CA C 58 54.968 54.968 52.506 2.462 18302 7653 1 18 . 1 1 58 58 ALA CB C 58 18.534 18.534 18.672 -0.138 18302 7654 1 18 . 1 1 58 58 ALA H H 58 8.153 8.153 8.091 0.062 18302 7655 1 18 . 1 1 59 59 ALA N N 59 123.120 123.120 120.606 2.514 18302 7656 1 18 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.898 0.148 18302 7657 1 18 . 1 1 59 59 ALA C C 59 180.385 180.385 177.050 3.335 18302 7658 1 18 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.377 2.552 18302 7659 1 18 . 1 1 59 59 ALA H H 59 8.807 8.807 7.847 0.960 18302 7660 1 18 . 1 1 60 60 ARG N N 60 119.705 119.705 120.675 -0.970 18302 7661 1 18 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.303 -0.315 18302 7662 1 18 . 1 1 60 60 ARG C C 60 179.348 179.348 176.644 2.704 18302 7663 1 18 . 1 1 60 60 ARG CA C 60 59.608 59.608 55.157 4.451 18302 7664 1 18 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.139 0.156 18302 7665 1 18 . 1 1 60 60 ARG H H 60 8.674 8.674 8.176 0.498 18302 7666 1 18 . 1 1 61 61 GLN N N 61 119.132 119.132 120.545 -1.413 18302 7667 1 18 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.972 0.124 18302 7668 1 18 . 1 1 61 61 GLN C C 61 177.615 177.615 175.223 2.392 18302 7669 1 18 . 1 1 61 61 GLN CA C 61 58.230 58.230 56.799 1.431 18302 7670 1 18 . 1 1 61 61 GLN H H 61 8.053 8.053 7.990 0.063 18302 7671 1 18 . 1 1 62 62 ALA N N 62 120.910 120.910 118.995 1.915 18302 7672 1 18 . 1 1 62 62 ALA HA H 62 4.177 4.177 3.996 0.181 18302 7673 1 18 . 1 1 62 62 ALA C C 62 179.311 179.311 176.065 3.246 18302 7674 1 18 . 1 1 62 62 ALA CA C 62 53.947 53.947 51.761 2.186 18302 7675 1 18 . 1 1 62 62 ALA CB C 62 18.536 18.536 19.384 -0.848 18302 7676 1 18 . 1 1 62 62 ALA H H 62 7.920 7.920 7.734 0.186 18302 7677 1 18 . 1 1 63 63 LYS N N 63 117.863 117.863 122.611 -4.748 18302 7678 1 18 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.509 -0.353 18302 7679 1 18 . 1 1 63 63 LYS C C 63 178.324 178.324 176.252 2.072 18302 7680 1 18 . 1 1 63 63 LYS CA C 63 57.887 57.887 54.023 3.864 18302 7681 1 18 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.690 -0.910 18302 7682 1 18 . 1 1 63 63 LYS H H 63 7.680 7.680 8.258 -0.578 18302 7683 1 18 . 1 1 64 64 LEU N N 64 119.697 119.697 128.054 -8.357 18302 7684 1 18 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.209 -0.016 18302 7685 1 18 . 1 1 64 64 LEU C C 64 178.459 178.459 178.344 0.115 18302 7686 1 18 . 1 1 64 64 LEU CA C 64 56.443 56.443 53.954 2.489 18302 7687 1 18 . 1 1 64 64 LEU CB C 64 42.161 42.161 43.285 -1.124 18302 7688 1 18 . 1 1 64 64 LEU H H 64 7.895 7.895 8.334 -0.439 18302 7689 1 18 . 1 1 65 65 MET N N 65 117.184 117.184 117.839 -0.655 18302 7690 1 18 . 1 1 65 65 MET HA H 65 4.472 4.472 4.263 0.209 18302 7691 1 18 . 1 1 65 65 MET C C 65 177.053 177.053 176.081 0.972 18302 7692 1 18 . 1 1 65 65 MET CA C 65 55.889 55.889 59.983 -4.094 18302 7693 1 18 . 1 1 65 65 MET CB C 65 33.010 33.010 29.235 3.775 18302 7694 1 18 . 1 1 65 65 MET H H 65 7.958 7.958 7.556 0.402 18302 7695 1 18 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.972 -0.122 18302 7696 1 18 . 1 1 66 66 GLY C C 66 174.137 174.137 176.134 -1.997 18302 7697 1 18 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.888 -2.298 18302 7698 1 18 . 1 1 66 66 GLY CB C 66 30.833 30.833 31.028 -0.195 18302 7699 1 18 . 1 1 67 67 SER N N 67 115.622 115.622 113.421 2.201 18302 7700 1 18 . 1 1 67 67 SER HA H 67 4.472 4.472 4.130 0.342 18302 7701 1 18 . 1 1 67 67 SER C C 67 173.300 173.300 176.876 -3.576 18302 7702 1 18 . 1 1 67 67 SER CA C 67 58.182 58.182 61.254 -3.071 18302 7703 1 18 . 1 1 67 67 SER CB C 67 64.389 64.389 62.323 2.066 18302 7704 1 18 . 1 1 67 67 SER H H 67 8.127 8.127 8.389 -0.262 18302 7705 1 18 . 1 1 68 68 ALA N N 68 131.351 131.351 123.310 8.041 18302 7706 1 18 . 1 1 68 68 ALA HA H 68 4.200 4.200 3.996 0.204 18302 7707 1 18 . 1 1 68 68 ALA C C 68 176.792 176.792 177.680 -0.888 18302 7708 1 18 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.291 -1.175 18302 7709 1 18 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.403 0.845 18302 7710 1 18 . 1 1 68 68 ALA H H 68 7.984 7.984 7.665 0.319 18302 7711 1 18 . 1 1 69 69 LEU N N 69 119.986 119.986 118.320 1.666 18302 7712 1 18 . 1 1 69 69 LEU HA H 69 3.350 3.350 4.038 -0.688 18302 7713 1 18 . 1 1 69 69 LEU C C 69 178.468 178.468 177.979 0.489 18302 7714 1 18 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.655 0.264 18302 7715 1 18 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.497 -0.497 18302 7716 1 18 . 1 1 69 69 LEU H H 69 9.062 9.062 8.120 0.942 18302 7717 1 18 . 1 1 70 70 THR N N 70 114.834 114.834 115.142 -0.308 18302 7718 1 18 . 1 1 70 70 THR HA H 70 4.100 4.100 4.083 0.017 18302 7719 1 18 . 1 1 70 70 THR C C 70 176.391 176.391 176.544 -0.153 18302 7720 1 18 . 1 1 70 70 THR CA C 70 61.833 61.833 65.889 -4.056 18302 7721 1 18 . 1 1 70 70 THR CB C 70 68.267 68.267 68.940 -0.673 18302 7722 1 18 . 1 1 70 70 THR H H 70 7.710 7.710 7.675 0.035 18302 7723 1 18 . 1 1 71 71 MET N N 71 120.233 120.233 121.779 -1.546 18302 7724 1 18 . 1 1 71 71 MET HA H 71 3.850 3.850 4.005 -0.155 18302 7725 1 18 . 1 1 71 71 MET C C 71 178.145 178.145 177.806 0.339 18302 7726 1 18 . 1 1 71 71 MET CA C 71 58.768 58.768 58.490 0.278 18302 7727 1 18 . 1 1 71 71 MET CB C 71 31.233 31.233 32.238 -1.005 18302 7728 1 18 . 1 1 71 71 MET H H 71 7.034 7.034 8.181 -1.147 18302 7729 1 18 . 1 1 72 72 MET N N 72 118.621 118.621 116.652 1.969 18302 7730 1 18 . 1 1 72 72 MET HA H 72 3.800 3.800 4.396 -0.596 18302 7731 1 18 . 1 1 72 72 MET C C 72 178.930 178.930 177.009 1.921 18302 7732 1 18 . 1 1 72 72 MET CA C 72 56.500 56.500 56.831 -0.332 18302 7733 1 18 . 1 1 72 72 MET CB C 72 32.733 32.733 32.164 0.569 18302 7734 1 18 . 1 1 72 72 MET H H 72 7.839 7.839 7.545 0.294 18302 7735 1 18 . 1 1 73 73 ALA N N 73 120.567 120.567 121.292 -0.725 18302 7736 1 18 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.388 -0.253 18302 7737 1 18 . 1 1 73 73 ALA C C 73 179.332 179.332 177.553 1.779 18302 7738 1 18 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.446 1.634 18302 7739 1 18 . 1 1 73 73 ALA CB C 73 18.453 18.453 17.992 0.461 18302 7740 1 18 . 1 1 73 73 ALA H H 73 8.240 8.240 8.270 -0.030 18302 7741 1 18 . 1 1 74 74 ARG N N 74 116.784 116.784 117.391 -0.607 18302 7742 1 18 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.334 -0.197 18302 7743 1 18 . 1 1 74 74 ARG C C 74 177.511 177.511 175.773 1.738 18302 7744 1 18 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.065 1.531 18302 7745 1 18 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.761 -0.355 18302 7746 1 18 . 1 1 74 74 ARG H H 74 7.382 7.382 7.835 -0.453 18302 7747 1 18 . 1 1 75 75 LYS N N 75 118.548 118.548 120.285 -1.737 18302 7748 1 18 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.499 -0.193 18302 7749 1 18 . 1 1 75 75 LYS C C 75 176.937 176.937 175.405 1.532 18302 7750 1 18 . 1 1 75 75 LYS CA C 75 55.000 55.000 55.327 -0.327 18302 7751 1 18 . 1 1 75 75 LYS CB C 75 32.750 32.750 34.083 -1.333 18302 7752 1 18 . 1 1 75 75 LYS H H 75 7.732 7.732 7.515 0.217 18302 7753 1 18 . 1 1 76 76 MET N N 76 120.367 120.367 122.901 -2.534 18302 7754 1 18 . 1 1 76 76 MET HA H 76 4.443 4.443 4.641 -0.198 18302 7755 1 18 . 1 1 76 76 MET C C 76 175.539 175.539 176.306 -0.767 18302 7756 1 18 . 1 1 76 76 MET CA C 76 55.500 55.500 55.340 0.160 18302 7757 1 18 . 1 1 76 76 MET CB C 76 32.733 32.733 31.982 0.751 18302 7758 1 18 . 1 1 76 76 MET H H 76 7.863 7.863 8.632 -0.769 18302 7759 1 19 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.507 0.109 18302 7760 1 19 . 1 1 2 2 ASP C C 2 175.975 175.975 174.931 1.044 18302 7761 1 19 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.749 -0.083 18302 7762 1 19 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.306 -0.118 18302 7763 1 19 . 1 1 3 3 GLN N N 3 119.995 119.995 118.373 1.622 18302 7764 1 19 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.493 -0.110 18302 7765 1 19 . 1 1 3 3 GLN C C 3 175.927 175.927 175.705 0.222 18302 7766 1 19 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.329 -2.676 18302 7767 1 19 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.015 0.219 18302 7768 1 19 . 1 1 3 3 GLN H H 3 8.414 8.414 8.529 -0.115 18302 7769 1 19 . 1 1 4 4 LEU N N 4 123.586 123.586 123.626 -0.040 18302 7770 1 19 . 1 1 4 4 LEU HA H 4 4.670 4.670 3.983 0.687 18302 7771 1 19 . 1 1 4 4 LEU C C 4 177.983 177.983 175.970 2.013 18302 7772 1 19 . 1 1 4 4 LEU CA C 4 54.666 54.666 56.075 -1.409 18302 7773 1 19 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.243 1.289 18302 7774 1 19 . 1 1 4 4 LEU H H 4 8.352 8.352 8.339 0.013 18302 7775 1 19 . 1 1 5 5 THR N N 5 113.292 113.292 110.002 3.290 18302 7776 1 19 . 1 1 5 5 THR HA H 5 4.470 4.470 4.361 0.109 18302 7777 1 19 . 1 1 5 5 THR C C 5 175.729 175.729 173.952 1.777 18302 7778 1 19 . 1 1 5 5 THR CA C 5 60.526 60.526 61.091 -0.565 18302 7779 1 19 . 1 1 5 5 THR CB C 5 71.541 71.541 69.562 1.979 18302 7780 1 19 . 1 1 5 5 THR H H 5 8.735 8.735 7.972 0.763 18302 7781 1 19 . 1 1 6 6 GLU N N 6 120.507 120.507 121.358 -0.851 18302 7782 1 19 . 1 1 6 6 GLU HA H 6 3.991 3.991 4.042 -0.051 18302 7783 1 19 . 1 1 6 6 GLU C C 6 179.816 179.816 177.726 2.090 18302 7784 1 19 . 1 1 6 6 GLU CA C 6 59.940 59.940 59.922 0.018 18302 7785 1 19 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.750 -0.516 18302 7786 1 19 . 1 1 6 6 GLU H H 6 9.060 9.060 8.779 0.281 18302 7787 1 19 . 1 1 7 7 GLU N N 7 120.000 120.000 119.821 0.179 18302 7788 1 19 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.857 0.228 18302 7789 1 19 . 1 1 7 7 GLU C C 7 179.588 179.588 178.637 0.951 18302 7790 1 19 . 1 1 7 7 GLU CA C 7 59.940 59.940 60.290 -0.350 18302 7791 1 19 . 1 1 7 7 GLU CB C 7 28.833 28.833 29.106 -0.273 18302 7792 1 19 . 1 1 7 7 GLU H H 7 8.770 8.770 8.160 0.610 18302 7793 1 19 . 1 1 8 8 GLN N N 8 120.798 120.798 117.422 3.376 18302 7794 1 19 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.117 -0.287 18302 7795 1 19 . 1 1 8 8 GLN C C 8 178.179 178.179 178.848 -0.669 18302 7796 1 19 . 1 1 8 8 GLN CA C 8 58.320 58.320 59.043 -0.723 18302 7797 1 19 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.305 0.928 18302 7798 1 19 . 1 1 8 8 GLN H H 8 7.755 7.755 8.448 -0.693 18302 7799 1 19 . 1 1 9 9 ILE N N 9 119.028 119.028 116.323 2.705 18302 7800 1 19 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.855 -0.255 18302 7801 1 19 . 1 1 9 9 ILE C C 9 178.147 178.147 178.257 -0.110 18302 7802 1 19 . 1 1 9 9 ILE CA C 9 66.620 66.620 65.048 1.572 18302 7803 1 19 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.131 0.521 18302 7804 1 19 . 1 1 9 9 ILE H H 9 8.253 8.253 7.428 0.825 18302 7805 1 19 . 1 1 10 10 ALA N N 10 120.587 120.587 122.506 -1.919 18302 7806 1 19 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.955 0.185 18302 7807 1 19 . 1 1 10 10 ALA C C 10 181.279 181.279 179.503 1.776 18302 7808 1 19 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.200 0.052 18302 7809 1 19 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.861 -0.361 18302 7810 1 19 . 1 1 10 10 ALA H H 10 8.051 8.051 8.384 -0.333 18302 7811 1 19 . 1 1 11 11 GLU N N 11 120.436 120.436 120.825 -0.389 18302 7812 1 19 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.043 0.152 18302 7813 1 19 . 1 1 11 11 GLU C C 11 180.542 180.542 178.641 1.901 18302 7814 1 19 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.389 -0.035 18302 7815 1 19 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.895 -0.661 18302 7816 1 19 . 1 1 11 11 GLU H H 11 7.795 7.795 8.580 -0.785 18302 7817 1 19 . 1 1 12 12 PHE N N 12 120.654 120.654 120.375 0.279 18302 7818 1 19 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.249 0.801 18302 7819 1 19 . 1 1 12 12 PHE C C 12 179.155 179.155 177.342 1.813 18302 7820 1 19 . 1 1 12 12 PHE CA C 12 58.760 58.760 61.269 -2.509 18302 7821 1 19 . 1 1 12 12 PHE CB C 12 37.000 37.000 39.059 -2.059 18302 7822 1 19 . 1 1 12 12 PHE H H 12 8.541 8.541 8.483 0.058 18302 7823 1 19 . 1 1 13 13 LYS N N 13 123.600 123.600 119.769 3.831 18302 7824 1 19 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.037 0.956 18302 7825 1 19 . 1 1 13 13 LYS C C 13 179.523 179.523 178.663 0.860 18302 7826 1 19 . 1 1 13 13 LYS CA C 13 59.940 59.940 58.693 1.248 18302 7827 1 19 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.576 0.157 18302 7828 1 19 . 1 1 13 13 LYS H H 13 9.279 9.279 7.756 1.523 18302 7829 1 19 . 1 1 14 14 GLU N N 14 121.150 121.150 119.301 1.849 18302 7830 1 19 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.901 0.220 18302 7831 1 19 . 1 1 14 14 GLU C C 14 179.859 179.859 178.849 1.010 18302 7832 1 19 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.225 0.129 18302 7833 1 19 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.580 0.153 18302 7834 1 19 . 1 1 14 14 GLU H H 14 8.036 8.036 8.155 -0.119 18302 7835 1 19 . 1 1 15 15 ALA N N 15 122.010 122.010 121.786 0.224 18302 7836 1 19 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.645 0.704 18302 7837 1 19 . 1 1 15 15 ALA C C 15 178.785 178.785 179.095 -0.310 18302 7838 1 19 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.725 0.527 18302 7839 1 19 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.243 -0.243 18302 7840 1 19 . 1 1 15 15 ALA H H 15 8.034 8.034 8.179 -0.145 18302 7841 1 19 . 1 1 16 16 PHE N N 16 119.032 119.032 119.135 -0.103 18302 7842 1 19 . 1 1 16 16 PHE HA H 16 3.300 3.300 4.001 -0.701 18302 7843 1 19 . 1 1 16 16 PHE C C 16 178.534 178.534 177.055 1.479 18302 7844 1 19 . 1 1 16 16 PHE CA C 16 62.000 62.000 60.988 1.012 18302 7845 1 19 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.722 1.278 18302 7846 1 19 . 1 1 16 16 PHE H H 16 8.633 8.633 8.583 0.050 18302 7847 1 19 . 1 1 17 17 SER N N 17 113.786 113.786 113.334 0.452 18302 7848 1 19 . 1 1 17 17 SER HA H 17 4.100 4.100 3.511 0.589 18302 7849 1 19 . 1 1 17 17 SER C C 17 174.639 174.639 175.811 -1.172 18302 7850 1 19 . 1 1 17 17 SER CA C 17 61.500 61.500 59.965 1.535 18302 7851 1 19 . 1 1 17 17 SER CB C 17 63.500 63.500 62.809 0.691 18302 7852 1 19 . 1 1 17 17 SER H H 17 8.215 8.215 7.640 0.575 18302 7853 1 19 . 1 1 18 18 LEU N N 18 120.113 120.113 119.892 0.221 18302 7854 1 19 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.816 0.064 18302 7855 1 19 . 1 1 18 18 LEU C C 18 177.151 177.151 178.348 -1.197 18302 7856 1 19 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.038 -0.538 18302 7857 1 19 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.783 -0.283 18302 7858 1 19 . 1 1 18 18 LEU H H 18 7.417 7.417 7.123 0.294 18302 7859 1 19 . 1 1 19 19 PHE N N 19 112.070 112.070 116.244 -4.174 18302 7860 1 19 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.187 0.213 18302 7861 1 19 . 1 1 19 19 PHE C C 19 175.699 175.699 176.666 -0.967 18302 7862 1 19 . 1 1 19 19 PHE CA C 19 58.400 58.400 58.709 -0.309 18302 7863 1 19 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.728 3.171 18302 7864 1 19 . 1 1 19 19 PHE H H 19 7.043 7.043 7.222 -0.179 18302 7865 1 19 . 1 1 20 20 ASP N N 20 116.223 116.223 119.215 -2.992 18302 7866 1 19 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.588 0.012 18302 7867 1 19 . 1 1 20 20 ASP C C 20 177.625 177.625 177.360 0.265 18302 7868 1 19 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.527 -2.205 18302 7869 1 19 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.720 -0.290 18302 7870 1 19 . 1 1 20 20 ASP H H 20 7.484 7.484 7.556 -0.072 18302 7871 1 19 . 1 1 21 21 LYS N N 21 124.544 124.544 123.511 1.033 18302 7872 1 19 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.900 0.100 18302 7873 1 19 . 1 1 21 21 LYS C C 21 178.513 178.513 177.272 1.241 18302 7874 1 19 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.462 -0.762 18302 7875 1 19 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.221 1.979 18302 7876 1 19 . 1 1 21 21 LYS H H 21 7.601 7.601 8.312 -0.711 18302 7877 1 19 . 1 1 22 22 ASP N N 22 114.320 114.320 113.971 0.349 18302 7878 1 19 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.455 0.179 18302 7879 1 19 . 1 1 22 22 ASP C C 22 178.039 178.039 177.007 1.032 18302 7880 1 19 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.086 -1.178 18302 7881 1 19 . 1 1 22 22 ASP CB C 22 40.016 40.016 39.880 0.136 18302 7882 1 19 . 1 1 22 22 ASP H H 22 8.241 8.241 7.979 0.262 18302 7883 1 19 . 1 1 23 23 GLY N N 23 109.478 109.478 107.847 1.631 18302 7884 1 19 . 1 1 23 23 GLY C C 23 175.427 175.427 175.337 0.090 18302 7885 1 19 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.090 0.958 18302 7886 1 19 . 1 1 23 23 GLY H H 23 7.680 7.680 7.613 0.067 18302 7887 1 19 . 1 1 24 24 ASP N N 24 121.007 121.007 120.067 0.940 18302 7888 1 19 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.460 0.041 18302 7889 1 19 . 1 1 24 24 ASP C C 24 177.660 177.660 177.766 -0.106 18302 7890 1 19 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.800 0.280 18302 7891 1 19 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.618 -1.016 18302 7892 1 19 . 1 1 24 24 ASP H H 24 8.523 8.523 8.713 -0.190 18302 7893 1 19 . 1 1 25 25 GLY N N 25 112.961 112.961 109.419 3.542 18302 7894 1 19 . 1 1 25 25 GLY C C 25 174.198 174.198 174.047 0.151 18302 7895 1 19 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.133 0.157 18302 7896 1 19 . 1 1 25 25 GLY H H 25 10.539 10.539 9.341 1.198 18302 7897 1 19 . 1 1 26 26 THR N N 26 112.593 112.593 112.465 0.128 18302 7898 1 19 . 1 1 26 26 THR HA H 26 5.560 5.560 5.158 0.402 18302 7899 1 19 . 1 1 26 26 THR C C 26 173.991 173.991 173.454 0.537 18302 7900 1 19 . 1 1 26 26 THR CA C 26 59.500 59.500 59.825 -0.325 18302 7901 1 19 . 1 1 26 26 THR CB C 26 73.299 73.299 72.689 0.610 18302 7902 1 19 . 1 1 26 26 THR H H 26 8.304 8.304 8.649 -0.345 18302 7903 1 19 . 1 1 27 27 ILE N N 27 126.868 126.868 122.542 4.326 18302 7904 1 19 . 1 1 27 27 ILE HA H 27 4.750 4.750 5.014 -0.264 18302 7905 1 19 . 1 1 27 27 ILE C C 27 176.338 176.338 175.976 0.362 18302 7906 1 19 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.300 0.812 18302 7907 1 19 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.100 -0.100 18302 7908 1 19 . 1 1 27 27 ILE H H 27 9.988 9.988 8.253 1.735 18302 7909 1 19 . 1 1 28 28 THR N N 28 116.237 116.237 120.182 -3.945 18302 7910 1 19 . 1 1 28 28 THR HA H 28 4.850 4.850 4.959 -0.109 18302 7911 1 19 . 1 1 28 28 THR C C 28 176.422 176.422 175.695 0.727 18302 7912 1 19 . 1 1 28 28 THR CA C 28 59.000 59.000 60.270 -1.270 18302 7913 1 19 . 1 1 28 28 THR CB C 28 72.713 72.713 71.693 1.020 18302 7914 1 19 . 1 1 28 28 THR H H 28 8.233 8.233 8.553 -0.320 18302 7915 1 19 . 1 1 29 29 THR N N 29 114.660 114.660 116.064 -1.404 18302 7916 1 19 . 1 1 29 29 THR HA H 29 3.800 3.800 4.009 -0.209 18302 7917 1 19 . 1 1 29 29 THR C C 29 177.772 177.772 176.693 1.079 18302 7918 1 19 . 1 1 29 29 THR CA C 29 66.767 66.767 66.046 0.721 18302 7919 1 19 . 1 1 29 29 THR CB C 29 68.611 68.611 68.269 0.342 18302 7920 1 19 . 1 1 29 29 THR H H 29 9.316 9.316 8.898 0.418 18302 7921 1 19 . 1 1 30 30 LYS N N 30 121.300 121.300 120.786 0.514 18302 7922 1 19 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.036 0.092 18302 7923 1 19 . 1 1 30 30 LYS C C 30 180.194 180.194 178.828 1.366 18302 7924 1 19 . 1 1 30 30 LYS CA C 30 59.354 59.354 59.935 -0.581 18302 7925 1 19 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.823 0.341 18302 7926 1 19 . 1 1 30 30 LYS H H 30 7.900 7.900 8.406 -0.506 18302 7927 1 19 . 1 1 31 31 GLU N N 31 122.184 122.184 119.486 2.698 18302 7928 1 19 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.020 -0.020 18302 7929 1 19 . 1 1 31 31 GLU C C 31 178.964 178.964 178.996 -0.032 18302 7930 1 19 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.791 0.149 18302 7931 1 19 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.390 0.430 18302 7932 1 19 . 1 1 31 31 GLU H H 31 7.900 7.900 8.221 -0.321 18302 7933 1 19 . 1 1 32 32 LEU N N 32 120.000 120.000 120.592 -0.592 18302 7934 1 19 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.095 0.055 18302 7935 1 19 . 1 1 32 32 LEU C C 32 179.190 179.190 178.392 0.798 18302 7936 1 19 . 1 1 32 32 LEU CA C 32 58.182 58.182 57.995 0.187 18302 7937 1 19 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.569 0.791 18302 7938 1 19 . 1 1 32 32 LEU H H 32 8.600 8.600 8.065 0.535 18302 7939 1 19 . 1 1 33 33 GLY N N 33 105.412 105.412 105.998 -0.586 18302 7940 1 19 . 1 1 33 33 GLY C C 33 175.371 175.371 175.978 -0.607 18302 7941 1 19 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.777 1.029 18302 7942 1 19 . 1 1 33 33 GLY H H 33 8.730 8.730 8.575 0.155 18302 7943 1 19 . 1 1 34 34 THR N N 34 118.762 118.762 119.541 -0.779 18302 7944 1 19 . 1 1 34 34 THR HA H 34 3.950 3.950 3.971 -0.021 18302 7945 1 19 . 1 1 34 34 THR C C 34 177.681 177.681 176.839 0.842 18302 7946 1 19 . 1 1 34 34 THR CA C 34 66.767 66.767 67.014 -0.247 18302 7947 1 19 . 1 1 34 34 THR CB C 34 69.197 69.197 68.384 0.813 18302 7948 1 19 . 1 1 34 34 THR H H 34 8.104 8.104 7.942 0.162 18302 7949 1 19 . 1 1 35 35 VAL N N 35 122.943 122.943 122.111 0.832 18302 7950 1 19 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.631 0.039 18302 7951 1 19 . 1 1 35 35 VAL C C 35 179.691 179.691 178.231 1.460 18302 7952 1 19 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.529 0.038 18302 7953 1 19 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.710 0.123 18302 7954 1 19 . 1 1 35 35 VAL H H 35 8.230 8.230 7.503 0.727 18302 7955 1 19 . 1 1 36 36 MET N N 36 118.074 118.074 117.997 0.077 18302 7956 1 19 . 1 1 36 36 MET HA H 36 4.124 4.124 4.103 0.021 18302 7957 1 19 . 1 1 36 36 MET C C 36 179.518 179.518 178.274 1.244 18302 7958 1 19 . 1 1 36 36 MET CA C 36 58.400 58.400 59.504 -1.103 18302 7959 1 19 . 1 1 36 36 MET CB C 36 31.233 31.233 32.492 -1.259 18302 7960 1 19 . 1 1 36 36 MET H H 36 8.746 8.746 8.419 0.327 18302 7961 1 19 . 1 1 37 37 ARG N N 37 118.931 118.931 120.667 -1.736 18302 7962 1 19 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.076 0.774 18302 7963 1 19 . 1 1 37 37 ARG C C 37 181.608 181.608 179.556 2.052 18302 7964 1 19 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.526 -0.172 18302 7965 1 19 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.312 -0.492 18302 7966 1 19 . 1 1 37 37 ARG H H 37 8.559 8.559 8.798 -0.239 18302 7967 1 19 . 1 1 38 38 SER N N 38 119.164 119.164 115.775 3.389 18302 7968 1 19 . 1 1 38 38 SER HA H 38 4.445 4.445 4.263 0.182 18302 7969 1 19 . 1 1 38 38 SER C C 38 175.212 175.212 175.801 -0.589 18302 7970 1 19 . 1 1 38 38 SER CA C 38 61.698 61.698 61.237 0.461 18302 7971 1 19 . 1 1 38 38 SER CB C 38 62.733 62.733 62.926 -0.193 18302 7972 1 19 . 1 1 38 38 SER H H 38 8.075 8.075 8.322 -0.247 18302 7973 1 19 . 1 1 39 39 LEU N N 39 120.667 120.667 119.522 1.145 18302 7974 1 19 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.429 -0.199 18302 7975 1 19 . 1 1 39 39 LEU C C 39 177.740 177.740 177.253 0.487 18302 7976 1 19 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.280 -0.977 18302 7977 1 19 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.920 -1.146 18302 7978 1 19 . 1 1 39 39 LEU H H 39 7.419 7.419 7.482 -0.063 18302 7979 1 19 . 1 1 40 40 GLY N N 40 107.175 107.175 106.246 0.929 18302 7980 1 19 . 1 1 40 40 GLY C C 40 174.723 174.723 174.448 0.275 18302 7981 1 19 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.553 0.947 18302 7982 1 19 . 1 1 40 40 GLY H H 40 7.900 7.900 7.867 0.033 18302 7983 1 19 . 1 1 41 41 GLN N N 41 117.918 117.918 120.125 -2.207 18302 7984 1 19 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.301 -0.171 18302 7985 1 19 . 1 1 41 41 GLN C C 41 174.428 174.428 175.253 -0.825 18302 7986 1 19 . 1 1 41 41 GLN CA C 41 55.000 55.000 55.272 -0.272 18302 7987 1 19 . 1 1 41 41 GLN CB C 41 29.820 29.820 29.671 0.149 18302 7988 1 19 . 1 1 41 41 GLN H H 41 7.746 7.746 8.110 -0.364 18302 7989 1 19 . 1 1 42 42 ASN N N 42 119.000 119.000 120.832 -1.832 18302 7990 1 19 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.529 0.071 18302 7991 1 19 . 1 1 42 42 ASN H H 42 8.250 8.250 8.714 -0.464 18302 7992 1 19 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.232 0.968 18302 7993 1 19 . 1 1 43 43 PRO C C 43 177.909 177.909 176.976 0.933 18302 7994 1 19 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.742 -1.458 18302 7995 1 19 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.849 -0.116 18302 7996 1 19 . 1 1 44 44 THR N N 44 113.390 113.390 110.800 2.590 18302 7997 1 19 . 1 1 44 44 THR HA H 44 4.450 4.450 4.132 0.318 18302 7998 1 19 . 1 1 44 44 THR C C 44 175.483 175.483 175.856 -0.373 18302 7999 1 19 . 1 1 44 44 THR CA C 44 60.526 60.526 62.683 -2.157 18302 8000 1 19 . 1 1 44 44 THR CB C 44 71.541 71.541 68.095 3.446 18302 8001 1 19 . 1 1 44 44 THR H H 44 8.982 8.982 7.803 1.179 18302 8002 1 19 . 1 1 45 45 GLU N N 45 120.632 120.632 124.339 -3.707 18302 8003 1 19 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.925 0.025 18302 8004 1 19 . 1 1 45 45 GLU C C 45 179.348 179.348 177.632 1.716 18302 8005 1 19 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.762 0.238 18302 8006 1 19 . 1 1 45 45 GLU CB C 45 29.733 29.733 28.783 0.950 18302 8007 1 19 . 1 1 45 45 GLU H H 45 8.854 8.854 8.817 0.037 18302 8008 1 19 . 1 1 46 46 THR N N 46 121.035 121.035 122.125 -1.090 18302 8009 1 19 . 1 1 46 46 THR HA H 46 4.121 4.121 4.437 -0.316 18302 8010 1 19 . 1 1 46 46 THR C C 46 175.463 175.463 176.686 -1.223 18302 8011 1 19 . 1 1 46 46 THR CA C 46 62.324 62.324 64.276 -1.952 18302 8012 1 19 . 1 1 46 46 THR CB C 46 70.088 70.088 68.376 1.712 18302 8013 1 19 . 1 1 46 46 THR H H 46 8.295 8.295 8.163 0.132 18302 8014 1 19 . 1 1 47 47 GLY N N 47 111.232 111.232 108.770 2.462 18302 8015 1 19 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.021 -0.084 18302 8016 1 19 . 1 1 47 47 GLY C C 47 174.998 174.998 177.193 -2.195 18302 8017 1 19 . 1 1 47 47 GLY CA C 47 45.921 45.921 48.144 -2.223 18302 8018 1 19 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.594 0.226 18302 8019 1 19 . 1 1 47 47 GLY H H 47 8.720 8.720 7.765 0.955 18302 8020 1 19 . 1 1 48 48 ALA N N 48 124.417 124.417 121.184 3.233 18302 8021 1 19 . 1 1 48 48 ALA HA H 48 4.282 4.282 3.935 0.347 18302 8022 1 19 . 1 1 48 48 ALA C C 48 177.866 177.866 179.889 -2.023 18302 8023 1 19 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.670 -1.845 18302 8024 1 19 . 1 1 48 48 ALA CB C 48 19.387 19.387 18.541 0.846 18302 8025 1 19 . 1 1 48 48 ALA H H 48 8.365 8.365 7.435 0.930 18302 8026 1 19 . 1 1 49 49 ALA N N 49 122.129 122.129 121.233 0.896 18302 8027 1 19 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.882 0.364 18302 8028 1 19 . 1 1 49 49 ALA C C 49 178.647 178.647 180.173 -1.526 18302 8029 1 19 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.586 -2.415 18302 8030 1 19 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.552 -2.403 18302 8031 1 19 . 1 1 49 49 ALA H H 49 8.318 8.318 7.692 0.626 18302 8032 1 19 . 1 1 50 50 LEU N N 50 120.817 120.817 120.474 0.343 18302 8033 1 19 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.136 -0.011 18302 8034 1 19 . 1 1 50 50 LEU C C 50 177.367 177.367 178.859 -1.492 18302 8035 1 19 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.781 -2.055 18302 8036 1 19 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.120 -0.020 18302 8037 1 19 . 1 1 50 50 LEU H H 50 8.126 8.126 7.878 0.248 18302 8038 1 19 . 1 1 51 51 SER N N 51 116.273 116.273 115.532 0.741 18302 8039 1 19 . 1 1 51 51 SER HA H 51 4.057 4.057 4.173 -0.116 18302 8040 1 19 . 1 1 51 51 SER C C 51 175.939 175.939 177.201 -1.262 18302 8041 1 19 . 1 1 51 51 SER CA C 51 61.429 61.429 61.192 0.237 18302 8042 1 19 . 1 1 51 51 SER CB C 51 28.648 28.648 32.276 -3.628 18302 8043 1 19 . 1 1 51 51 SER H H 51 7.917 7.917 7.965 -0.048 18302 8044 1 19 . 1 1 52 52 TRP N N 52 123.132 123.132 121.028 2.104 18302 8045 1 19 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.070 0.527 18302 8046 1 19 . 1 1 52 52 TRP C C 52 178.377 178.377 178.260 0.117 18302 8047 1 19 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.756 -0.091 18302 8048 1 19 . 1 1 52 52 TRP CB C 52 29.388 29.388 28.655 0.733 18302 8049 1 19 . 1 1 52 52 TRP H H 52 8.732 8.732 8.972 -0.240 18302 8050 1 19 . 1 1 53 53 GLN N N 53 117.115 117.115 118.610 -1.495 18302 8051 1 19 . 1 1 53 53 GLN HA H 53 3.969 3.969 4.028 -0.059 18302 8052 1 19 . 1 1 53 53 GLN C C 53 177.779 177.779 177.830 -0.051 18302 8053 1 19 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.854 0.478 18302 8054 1 19 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.140 0.011 18302 8055 1 19 . 1 1 53 53 GLN H H 53 8.480 8.480 7.963 0.517 18302 8056 1 19 . 1 1 54 54 ALA N N 54 120.557 120.557 121.697 -1.140 18302 8057 1 19 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.171 0.097 18302 8058 1 19 . 1 1 54 54 ALA C C 54 181.023 181.023 179.272 1.751 18302 8059 1 19 . 1 1 54 54 ALA CA C 54 54.640 54.640 53.908 0.732 18302 8060 1 19 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.081 -0.472 18302 8061 1 19 . 1 1 54 54 ALA H H 54 8.003 8.003 7.371 0.632 18302 8062 1 19 . 1 1 55 55 ALA N N 55 122.442 122.442 121.678 0.764 18302 8063 1 19 . 1 1 55 55 ALA HA H 55 4.117 4.117 3.994 0.123 18302 8064 1 19 . 1 1 55 55 ALA C C 55 179.069 179.069 178.244 0.825 18302 8065 1 19 . 1 1 55 55 ALA CA C 55 55.478 55.478 54.817 0.661 18302 8066 1 19 . 1 1 55 55 ALA CB C 55 18.235 18.235 19.116 -0.881 18302 8067 1 19 . 1 1 55 55 ALA H H 55 8.283 8.283 7.960 0.323 18302 8068 1 19 . 1 1 56 56 ILE N N 56 119.035 119.035 120.064 -1.029 18302 8069 1 19 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.918 -0.107 18302 8070 1 19 . 1 1 56 56 ILE C C 56 177.968 177.968 176.839 1.129 18302 8071 1 19 . 1 1 56 56 ILE CA C 56 65.950 65.950 62.638 3.312 18302 8072 1 19 . 1 1 56 56 ILE CB C 56 38.315 38.315 38.747 -0.432 18302 8073 1 19 . 1 1 56 56 ILE H H 56 8.682 8.682 7.894 0.788 18302 8074 1 19 . 1 1 57 57 ASP N N 57 119.160 119.160 127.218 -8.058 18302 8075 1 19 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.526 -0.126 18302 8076 1 19 . 1 1 57 57 ASP C C 57 179.117 179.117 176.820 2.297 18302 8077 1 19 . 1 1 57 57 ASP CA C 57 53.690 53.690 55.697 -2.007 18302 8078 1 19 . 1 1 57 57 ASP CB C 57 40.640 40.640 41.115 -0.475 18302 8079 1 19 . 1 1 57 57 ASP H H 57 8.393 8.393 8.841 -0.448 18302 8080 1 19 . 1 1 58 58 ALA N N 58 122.077 122.077 121.387 0.690 18302 8081 1 19 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.220 0.280 18302 8082 1 19 . 1 1 58 58 ALA C C 58 180.605 180.605 177.952 2.653 18302 8083 1 19 . 1 1 58 58 ALA CA C 58 54.968 54.968 51.166 3.802 18302 8084 1 19 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.268 -0.734 18302 8085 1 19 . 1 1 58 58 ALA H H 58 8.153 8.153 7.647 0.506 18302 8086 1 19 . 1 1 59 59 ALA N N 59 123.120 123.120 121.470 1.650 18302 8087 1 19 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.922 0.124 18302 8088 1 19 . 1 1 59 59 ALA C C 59 180.385 180.385 177.962 2.423 18302 8089 1 19 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.999 1.930 18302 8090 1 19 . 1 1 59 59 ALA H H 59 8.807 8.807 8.327 0.480 18302 8091 1 19 . 1 1 60 60 ARG N N 60 119.705 119.705 121.094 -1.389 18302 8092 1 19 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.201 -0.213 18302 8093 1 19 . 1 1 60 60 ARG C C 60 179.348 179.348 177.660 1.688 18302 8094 1 19 . 1 1 60 60 ARG CA C 60 59.608 59.608 55.854 3.754 18302 8095 1 19 . 1 1 60 60 ARG CB C 60 30.295 30.295 30.905 -0.610 18302 8096 1 19 . 1 1 60 60 ARG H H 60 8.674 8.674 8.305 0.369 18302 8097 1 19 . 1 1 61 61 GLN N N 61 119.132 119.132 120.047 -0.915 18302 8098 1 19 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.021 0.075 18302 8099 1 19 . 1 1 61 61 GLN C C 61 177.615 177.615 174.554 3.061 18302 8100 1 19 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.816 2.414 18302 8101 1 19 . 1 1 61 61 GLN H H 61 8.053 8.053 9.523 -1.470 18302 8102 1 19 . 1 1 62 62 ALA N N 62 120.910 120.910 120.277 0.633 18302 8103 1 19 . 1 1 62 62 ALA HA H 62 4.177 4.177 5.088 -0.911 18302 8104 1 19 . 1 1 62 62 ALA C C 62 179.311 179.311 176.492 2.819 18302 8105 1 19 . 1 1 62 62 ALA CA C 62 53.947 53.947 49.559 4.388 18302 8106 1 19 . 1 1 62 62 ALA CB C 62 18.536 18.536 22.441 -3.905 18302 8107 1 19 . 1 1 62 62 ALA H H 62 7.920 7.920 8.181 -0.261 18302 8108 1 19 . 1 1 63 63 LYS N N 63 117.863 117.863 122.792 -4.929 18302 8109 1 19 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.545 -0.389 18302 8110 1 19 . 1 1 63 63 LYS C C 63 178.324 178.324 176.209 2.115 18302 8111 1 19 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.456 4.431 18302 8112 1 19 . 1 1 63 63 LYS CB C 63 31.780 31.780 32.321 -0.541 18302 8113 1 19 . 1 1 63 63 LYS H H 63 7.680 7.680 8.420 -0.740 18302 8114 1 19 . 1 1 64 64 LEU N N 64 119.697 119.697 129.246 -9.549 18302 8115 1 19 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.319 -0.126 18302 8116 1 19 . 1 1 64 64 LEU C C 64 178.459 178.459 178.448 0.011 18302 8117 1 19 . 1 1 64 64 LEU CA C 64 56.443 56.443 54.918 1.525 18302 8118 1 19 . 1 1 64 64 LEU CB C 64 42.161 42.161 42.488 -0.327 18302 8119 1 19 . 1 1 64 64 LEU H H 64 7.895 7.895 8.493 -0.598 18302 8120 1 19 . 1 1 65 65 MET N N 65 117.184 117.184 116.496 0.688 18302 8121 1 19 . 1 1 65 65 MET HA H 65 4.472 4.472 4.636 -0.164 18302 8122 1 19 . 1 1 65 65 MET C C 65 177.053 177.053 176.204 0.849 18302 8123 1 19 . 1 1 65 65 MET CA C 65 55.889 55.889 58.091 -2.202 18302 8124 1 19 . 1 1 65 65 MET CB C 65 33.010 33.010 29.355 3.655 18302 8125 1 19 . 1 1 65 65 MET H H 65 7.958 7.958 7.565 0.393 18302 8126 1 19 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.096 -0.246 18302 8127 1 19 . 1 1 66 66 GLY C C 66 174.137 174.137 176.108 -1.971 18302 8128 1 19 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.439 -1.849 18302 8129 1 19 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.999 -0.166 18302 8130 1 19 . 1 1 67 67 SER N N 67 115.622 115.622 114.015 1.607 18302 8131 1 19 . 1 1 67 67 SER HA H 67 4.472 4.472 4.170 0.302 18302 8132 1 19 . 1 1 67 67 SER C C 67 173.300 173.300 176.729 -3.429 18302 8133 1 19 . 1 1 67 67 SER CA C 67 58.182 58.182 61.456 -3.274 18302 8134 1 19 . 1 1 67 67 SER CB C 67 64.389 64.389 62.260 2.129 18302 8135 1 19 . 1 1 67 67 SER H H 67 8.127 8.127 8.555 -0.428 18302 8136 1 19 . 1 1 68 68 ALA N N 68 131.351 131.351 123.512 7.839 18302 8137 1 19 . 1 1 68 68 ALA HA H 68 4.200 4.200 4.067 0.133 18302 8138 1 19 . 1 1 68 68 ALA C C 68 176.792 176.792 177.220 -0.428 18302 8139 1 19 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.394 -1.278 18302 8140 1 19 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.392 0.855 18302 8141 1 19 . 1 1 68 68 ALA H H 68 7.984 7.984 7.356 0.628 18302 8142 1 19 . 1 1 69 69 LEU N N 69 119.986 119.986 119.370 0.616 18302 8143 1 19 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.693 -0.343 18302 8144 1 19 . 1 1 69 69 LEU C C 69 178.468 178.468 178.484 -0.016 18302 8145 1 19 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.996 -0.077 18302 8146 1 19 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.206 -0.206 18302 8147 1 19 . 1 1 69 69 LEU H H 69 9.062 9.062 7.641 1.421 18302 8148 1 19 . 1 1 70 70 THR N N 70 114.834 114.834 115.344 -0.510 18302 8149 1 19 . 1 1 70 70 THR HA H 70 4.100 4.100 3.804 0.296 18302 8150 1 19 . 1 1 70 70 THR C C 70 176.391 176.391 176.542 -0.151 18302 8151 1 19 . 1 1 70 70 THR CA C 70 61.833 61.833 66.804 -4.971 18302 8152 1 19 . 1 1 70 70 THR CB C 70 68.267 68.267 68.917 -0.650 18302 8153 1 19 . 1 1 70 70 THR H H 70 7.710 7.710 8.313 -0.603 18302 8154 1 19 . 1 1 71 71 MET N N 71 120.233 120.233 119.125 1.108 18302 8155 1 19 . 1 1 71 71 MET HA H 71 3.850 3.850 3.935 -0.085 18302 8156 1 19 . 1 1 71 71 MET C C 71 178.145 178.145 178.371 -0.226 18302 8157 1 19 . 1 1 71 71 MET CA C 71 58.768 58.768 58.653 0.115 18302 8158 1 19 . 1 1 71 71 MET CB C 71 31.233 31.233 32.070 -0.837 18302 8159 1 19 . 1 1 71 71 MET H H 71 7.034 7.034 7.579 -0.545 18302 8160 1 19 . 1 1 72 72 MET N N 72 118.621 118.621 116.853 1.768 18302 8161 1 19 . 1 1 72 72 MET HA H 72 3.800 3.800 4.069 -0.269 18302 8162 1 19 . 1 1 72 72 MET C C 72 178.930 178.930 176.091 2.839 18302 8163 1 19 . 1 1 72 72 MET CA C 72 56.500 56.500 57.510 -1.010 18302 8164 1 19 . 1 1 72 72 MET CB C 72 32.733 32.733 32.237 0.496 18302 8165 1 19 . 1 1 72 72 MET H H 72 7.839 7.839 7.496 0.343 18302 8166 1 19 . 1 1 73 73 ALA N N 73 120.567 120.567 120.509 0.058 18302 8167 1 19 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.537 -0.402 18302 8168 1 19 . 1 1 73 73 ALA C C 73 179.332 179.332 177.118 2.214 18302 8169 1 19 . 1 1 73 73 ALA CA C 73 54.080 54.080 50.949 3.131 18302 8170 1 19 . 1 1 73 73 ALA CB C 73 18.453 18.453 19.213 -0.760 18302 8171 1 19 . 1 1 73 73 ALA H H 73 8.240 8.240 7.840 0.400 18302 8172 1 19 . 1 1 74 74 ARG N N 74 116.784 116.784 121.739 -4.955 18302 8173 1 19 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.139 -0.002 18302 8174 1 19 . 1 1 74 74 ARG C C 74 177.511 177.511 176.907 0.604 18302 8175 1 19 . 1 1 74 74 ARG CA C 74 57.596 57.596 58.406 -0.810 18302 8176 1 19 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.429 -0.023 18302 8177 1 19 . 1 1 74 74 ARG H H 74 7.382 7.382 7.706 -0.324 18302 8178 1 19 . 1 1 75 75 LYS N N 75 118.548 118.548 118.711 -0.163 18302 8179 1 19 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.191 0.115 18302 8180 1 19 . 1 1 75 75 LYS C C 75 176.937 176.937 176.386 0.551 18302 8181 1 19 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.440 -1.440 18302 8182 1 19 . 1 1 75 75 LYS CB C 75 32.750 32.750 33.098 -0.348 18302 8183 1 19 . 1 1 75 75 LYS H H 75 7.732 7.732 8.145 -0.413 18302 8184 1 19 . 1 1 76 76 MET N N 76 120.367 120.367 118.833 1.534 18302 8185 1 19 . 1 1 76 76 MET HA H 76 4.443 4.443 4.238 0.205 18302 8186 1 19 . 1 1 76 76 MET C C 76 175.539 175.539 174.890 0.649 18302 8187 1 19 . 1 1 76 76 MET CA C 76 55.500 55.500 56.765 -1.265 18302 8188 1 19 . 1 1 76 76 MET CB C 76 32.733 32.733 32.586 0.147 18302 8189 1 19 . 1 1 76 76 MET H H 76 7.863 7.863 8.179 -0.316 18302 8190 1 20 . 1 1 2 2 ASP HA H 2 4.616 4.616 4.917 -0.301 18302 8191 1 20 . 1 1 2 2 ASP C C 2 175.975 175.975 175.810 0.165 18302 8192 1 20 . 1 1 2 2 ASP CA C 2 54.666 54.666 55.276 -0.610 18302 8193 1 20 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.319 -0.131 18302 8194 1 20 . 1 1 3 3 GLN N N 3 119.995 119.995 122.489 -2.494 18302 8195 1 20 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.473 -0.090 18302 8196 1 20 . 1 1 3 3 GLN C C 3 175.927 175.927 174.531 1.396 18302 8197 1 20 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.031 -2.378 18302 8198 1 20 . 1 1 3 3 GLN CB C 3 29.234 29.234 30.758 -1.524 18302 8199 1 20 . 1 1 3 3 GLN H H 3 8.414 8.414 8.437 -0.023 18302 8200 1 20 . 1 1 4 4 LEU N N 4 123.586 123.586 120.264 3.322 18302 8201 1 20 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.207 0.464 18302 8202 1 20 . 1 1 4 4 LEU C C 4 177.983 177.983 174.977 3.006 18302 8203 1 20 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.616 -0.950 18302 8204 1 20 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.338 1.194 18302 8205 1 20 . 1 1 4 4 LEU H H 4 8.352 8.352 8.509 -0.157 18302 8206 1 20 . 1 1 5 5 THR N N 5 113.292 113.292 112.141 1.151 18302 8207 1 20 . 1 1 5 5 THR HA H 5 4.470 4.470 4.494 -0.024 18302 8208 1 20 . 1 1 5 5 THR C C 5 175.729 175.729 174.093 1.636 18302 8209 1 20 . 1 1 5 5 THR CA C 5 60.526 60.526 61.343 -0.817 18302 8210 1 20 . 1 1 5 5 THR CB C 5 71.541 71.541 69.405 2.136 18302 8211 1 20 . 1 1 5 5 THR H H 5 8.735 8.735 7.995 0.740 18302 8212 1 20 . 1 1 6 6 GLU N N 6 120.507 120.507 121.537 -1.030 18302 8213 1 20 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.951 0.040 18302 8214 1 20 . 1 1 6 6 GLU C C 6 179.816 179.816 178.033 1.783 18302 8215 1 20 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.197 -0.257 18302 8216 1 20 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.738 -0.504 18302 8217 1 20 . 1 1 6 6 GLU H H 6 9.060 9.060 8.909 0.151 18302 8218 1 20 . 1 1 7 7 GLU N N 7 120.000 120.000 118.064 1.936 18302 8219 1 20 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.925 0.160 18302 8220 1 20 . 1 1 7 7 GLU C C 7 179.588 179.588 179.069 0.519 18302 8221 1 20 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.353 0.587 18302 8222 1 20 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.317 0.516 18302 8223 1 20 . 1 1 7 7 GLU H H 7 8.770 8.770 8.369 0.401 18302 8224 1 20 . 1 1 8 8 GLN N N 8 120.798 120.798 118.685 2.113 18302 8225 1 20 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.147 -0.317 18302 8226 1 20 . 1 1 8 8 GLN C C 8 178.179 178.179 178.710 -0.531 18302 8227 1 20 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.820 -0.500 18302 8228 1 20 . 1 1 8 8 GLN CB C 8 29.233 29.233 27.897 1.336 18302 8229 1 20 . 1 1 8 8 GLN H H 8 7.755 7.755 8.458 -0.703 18302 8230 1 20 . 1 1 9 9 ILE N N 9 119.028 119.028 116.424 2.604 18302 8231 1 20 . 1 1 9 9 ILE HA H 9 3.600 3.600 4.000 -0.400 18302 8232 1 20 . 1 1 9 9 ILE C C 9 178.147 178.147 177.791 0.356 18302 8233 1 20 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.864 1.756 18302 8234 1 20 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.387 0.265 18302 8235 1 20 . 1 1 9 9 ILE H H 9 8.253 8.253 7.453 0.800 18302 8236 1 20 . 1 1 10 10 ALA N N 10 120.587 120.587 123.073 -2.486 18302 8237 1 20 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.861 0.279 18302 8238 1 20 . 1 1 10 10 ALA C C 10 181.279 181.279 179.700 1.579 18302 8239 1 20 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.353 -0.101 18302 8240 1 20 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.952 -0.452 18302 8241 1 20 . 1 1 10 10 ALA H H 10 8.051 8.051 7.952 0.099 18302 8242 1 20 . 1 1 11 11 GLU N N 11 120.436 120.436 119.257 1.179 18302 8243 1 20 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.082 0.113 18302 8244 1 20 . 1 1 11 11 GLU C C 11 180.542 180.542 179.119 1.423 18302 8245 1 20 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.308 0.046 18302 8246 1 20 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.306 -0.073 18302 8247 1 20 . 1 1 11 11 GLU H H 11 7.795 7.795 8.676 -0.881 18302 8248 1 20 . 1 1 12 12 PHE N N 12 120.654 120.654 120.401 0.253 18302 8249 1 20 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.466 0.584 18302 8250 1 20 . 1 1 12 12 PHE C C 12 179.155 179.155 177.324 1.831 18302 8251 1 20 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.547 -1.788 18302 8252 1 20 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.736 -1.736 18302 8253 1 20 . 1 1 12 12 PHE H H 12 8.541 8.541 8.181 0.360 18302 8254 1 20 . 1 1 13 13 LYS N N 13 123.600 123.600 120.023 3.577 18302 8255 1 20 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.289 0.704 18302 8256 1 20 . 1 1 13 13 LYS C C 13 179.523 179.523 178.412 1.111 18302 8257 1 20 . 1 1 13 13 LYS CA C 13 59.940 59.940 58.939 1.001 18302 8258 1 20 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.617 0.116 18302 8259 1 20 . 1 1 13 13 LYS H H 13 9.279 9.279 7.219 2.060 18302 8260 1 20 . 1 1 14 14 GLU N N 14 121.150 121.150 119.305 1.845 18302 8261 1 20 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.788 0.333 18302 8262 1 20 . 1 1 14 14 GLU C C 14 179.859 179.859 178.829 1.030 18302 8263 1 20 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.411 -0.057 18302 8264 1 20 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.422 0.311 18302 8265 1 20 . 1 1 14 14 GLU H H 14 8.036 8.036 8.245 -0.209 18302 8266 1 20 . 1 1 15 15 ALA N N 15 122.010 122.010 121.560 0.450 18302 8267 1 20 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.910 0.439 18302 8268 1 20 . 1 1 15 15 ALA C C 15 178.785 178.785 179.272 -0.487 18302 8269 1 20 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.970 0.282 18302 8270 1 20 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.469 -0.469 18302 8271 1 20 . 1 1 15 15 ALA H H 15 8.034 8.034 7.828 0.206 18302 8272 1 20 . 1 1 16 16 PHE N N 16 119.032 119.032 118.674 0.358 18302 8273 1 20 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.826 -0.526 18302 8274 1 20 . 1 1 16 16 PHE C C 16 178.534 178.534 177.219 1.315 18302 8275 1 20 . 1 1 16 16 PHE CA C 16 62.000 62.000 59.638 2.362 18302 8276 1 20 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.654 1.346 18302 8277 1 20 . 1 1 16 16 PHE H H 16 8.633 8.633 7.965 0.668 18302 8278 1 20 . 1 1 17 17 SER N N 17 113.786 113.786 114.597 -0.811 18302 8279 1 20 . 1 1 17 17 SER HA H 17 4.100 4.100 3.154 0.946 18302 8280 1 20 . 1 1 17 17 SER C C 17 174.639 174.639 175.958 -1.319 18302 8281 1 20 . 1 1 17 17 SER CA C 17 61.500 61.500 61.155 0.345 18302 8282 1 20 . 1 1 17 17 SER CB C 17 63.500 63.500 62.857 0.643 18302 8283 1 20 . 1 1 17 17 SER H H 17 8.215 8.215 7.908 0.307 18302 8284 1 20 . 1 1 18 18 LEU N N 18 120.113 120.113 119.641 0.472 18302 8285 1 20 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.774 0.106 18302 8286 1 20 . 1 1 18 18 LEU C C 18 177.151 177.151 178.199 -1.048 18302 8287 1 20 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.251 -0.751 18302 8288 1 20 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.788 -0.288 18302 8289 1 20 . 1 1 18 18 LEU H H 18 7.417 7.417 7.268 0.149 18302 8290 1 20 . 1 1 19 19 PHE N N 19 112.070 112.070 114.365 -2.295 18302 8291 1 20 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.256 0.144 18302 8292 1 20 . 1 1 19 19 PHE C C 19 175.699 175.699 177.270 -1.571 18302 8293 1 20 . 1 1 19 19 PHE CA C 19 58.400 58.400 58.746 -0.346 18302 8294 1 20 . 1 1 19 19 PHE CB C 19 41.900 41.900 39.076 2.824 18302 8295 1 20 . 1 1 19 19 PHE H H 19 7.043 7.043 7.060 -0.017 18302 8296 1 20 . 1 1 20 20 ASP N N 20 116.223 116.223 119.791 -3.568 18302 8297 1 20 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.770 -0.170 18302 8298 1 20 . 1 1 20 20 ASP C C 20 177.625 177.625 177.752 -0.127 18302 8299 1 20 . 1 1 20 20 ASP CA C 20 52.322 52.322 53.376 -1.054 18302 8300 1 20 . 1 1 20 20 ASP CB C 20 39.430 39.430 38.881 0.549 18302 8301 1 20 . 1 1 20 20 ASP H H 20 7.484 7.484 8.136 -0.652 18302 8302 1 20 . 1 1 21 21 LYS N N 21 124.544 124.544 122.259 2.285 18302 8303 1 20 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.943 0.057 18302 8304 1 20 . 1 1 21 21 LYS C C 21 178.513 178.513 177.812 0.701 18302 8305 1 20 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.864 -1.164 18302 8306 1 20 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.147 2.053 18302 8307 1 20 . 1 1 21 21 LYS H H 21 7.601 7.601 8.637 -1.036 18302 8308 1 20 . 1 1 22 22 ASP N N 22 114.320 114.320 116.707 -2.387 18302 8309 1 20 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.472 0.162 18302 8310 1 20 . 1 1 22 22 ASP C C 22 178.039 178.039 177.336 0.703 18302 8311 1 20 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.831 -1.923 18302 8312 1 20 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.432 -0.416 18302 8313 1 20 . 1 1 22 22 ASP H H 22 8.241 8.241 7.917 0.324 18302 8314 1 20 . 1 1 23 23 GLY N N 23 109.478 109.478 108.137 1.341 18302 8315 1 20 . 1 1 23 23 GLY C C 23 175.427 175.427 174.669 0.758 18302 8316 1 20 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.196 0.852 18302 8317 1 20 . 1 1 23 23 GLY H H 23 7.680 7.680 8.002 -0.322 18302 8318 1 20 . 1 1 24 24 ASP N N 24 121.007 121.007 119.459 1.548 18302 8319 1 20 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.650 -0.150 18302 8320 1 20 . 1 1 24 24 ASP C C 24 177.660 177.660 177.668 -0.008 18302 8321 1 20 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.236 0.844 18302 8322 1 20 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.368 -0.766 18302 8323 1 20 . 1 1 24 24 ASP H H 24 8.523 8.523 8.083 0.440 18302 8324 1 20 . 1 1 25 25 GLY N N 25 112.961 112.961 108.852 4.109 18302 8325 1 20 . 1 1 25 25 GLY C C 25 174.198 174.198 173.766 0.432 18302 8326 1 20 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.474 -0.184 18302 8327 1 20 . 1 1 25 25 GLY H H 25 10.539 10.539 9.304 1.235 18302 8328 1 20 . 1 1 26 26 THR N N 26 112.593 112.593 112.054 0.539 18302 8329 1 20 . 1 1 26 26 THR HA H 26 5.560 5.560 5.258 0.302 18302 8330 1 20 . 1 1 26 26 THR C C 26 173.991 173.991 173.194 0.797 18302 8331 1 20 . 1 1 26 26 THR CA C 26 59.500 59.500 60.358 -0.858 18302 8332 1 20 . 1 1 26 26 THR CB C 26 73.299 73.299 72.294 1.005 18302 8333 1 20 . 1 1 26 26 THR H H 26 8.304 8.304 8.561 -0.257 18302 8334 1 20 . 1 1 27 27 ILE N N 27 126.868 126.868 122.013 4.855 18302 8335 1 20 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.707 0.043 18302 8336 1 20 . 1 1 27 27 ILE C C 27 176.338 176.338 174.727 1.611 18302 8337 1 20 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.740 0.372 18302 8338 1 20 . 1 1 27 27 ILE CB C 27 40.000 40.000 39.697 0.303 18302 8339 1 20 . 1 1 27 27 ILE H H 27 9.988 9.988 8.678 1.310 18302 8340 1 20 . 1 1 28 28 THR N N 28 116.237 116.237 120.151 -3.914 18302 8341 1 20 . 1 1 28 28 THR HA H 28 4.850 4.850 4.802 0.048 18302 8342 1 20 . 1 1 28 28 THR C C 28 176.422 176.422 175.097 1.325 18302 8343 1 20 . 1 1 28 28 THR CA C 28 59.000 59.000 58.764 0.236 18302 8344 1 20 . 1 1 28 28 THR CB C 28 72.713 72.713 70.763 1.950 18302 8345 1 20 . 1 1 28 28 THR H H 28 8.233 8.233 9.226 -0.993 18302 8346 1 20 . 1 1 29 29 THR N N 29 114.660 114.660 115.037 -0.377 18302 8347 1 20 . 1 1 29 29 THR HA H 29 3.800 3.800 4.027 -0.227 18302 8348 1 20 . 1 1 29 29 THR C C 29 177.772 177.772 176.372 1.400 18302 8349 1 20 . 1 1 29 29 THR CA C 29 66.767 66.767 66.449 0.318 18302 8350 1 20 . 1 1 29 29 THR CB C 29 68.611 68.611 68.656 -0.045 18302 8351 1 20 . 1 1 29 29 THR H H 29 9.316 9.316 8.641 0.675 18302 8352 1 20 . 1 1 30 30 LYS N N 30 121.300 121.300 120.899 0.401 18302 8353 1 20 . 1 1 30 30 LYS HA H 30 4.128 4.128 3.996 0.132 18302 8354 1 20 . 1 1 30 30 LYS C C 30 180.194 180.194 178.877 1.317 18302 8355 1 20 . 1 1 30 30 LYS CA C 30 59.354 59.354 59.903 -0.549 18302 8356 1 20 . 1 1 30 30 LYS CB C 30 32.164 32.164 32.028 0.136 18302 8357 1 20 . 1 1 30 30 LYS H H 30 7.900 7.900 8.257 -0.357 18302 8358 1 20 . 1 1 31 31 GLU N N 31 122.184 122.184 120.150 2.034 18302 8359 1 20 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.013 -0.013 18302 8360 1 20 . 1 1 31 31 GLU C C 31 178.964 178.964 179.114 -0.150 18302 8361 1 20 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.606 0.334 18302 8362 1 20 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.463 0.357 18302 8363 1 20 . 1 1 31 31 GLU H H 31 7.900 7.900 8.158 -0.258 18302 8364 1 20 . 1 1 32 32 LEU N N 32 120.000 120.000 120.338 -0.338 18302 8365 1 20 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.202 -0.052 18302 8366 1 20 . 1 1 32 32 LEU C C 32 179.190 179.190 178.800 0.390 18302 8367 1 20 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.137 0.045 18302 8368 1 20 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.639 0.721 18302 8369 1 20 . 1 1 32 32 LEU H H 32 8.600 8.600 8.122 0.478 18302 8370 1 20 . 1 1 33 33 GLY N N 33 105.412 105.412 106.044 -0.632 18302 8371 1 20 . 1 1 33 33 GLY C C 33 175.371 175.371 176.090 -0.719 18302 8372 1 20 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.824 0.982 18302 8373 1 20 . 1 1 33 33 GLY H H 33 8.730 8.730 8.720 0.010 18302 8374 1 20 . 1 1 34 34 THR N N 34 118.762 118.762 119.404 -0.642 18302 8375 1 20 . 1 1 34 34 THR HA H 34 3.950 3.950 4.037 -0.087 18302 8376 1 20 . 1 1 34 34 THR C C 34 177.681 177.681 176.570 1.111 18302 8377 1 20 . 1 1 34 34 THR CA C 34 66.767 66.767 67.311 -0.545 18302 8378 1 20 . 1 1 34 34 THR CB C 34 69.197 69.197 68.658 0.539 18302 8379 1 20 . 1 1 34 34 THR H H 34 8.104 8.104 8.065 0.039 18302 8380 1 20 . 1 1 35 35 VAL N N 35 122.943 122.943 122.295 0.648 18302 8381 1 20 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.749 -0.079 18302 8382 1 20 . 1 1 35 35 VAL C C 35 179.691 179.691 178.392 1.299 18302 8383 1 20 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.750 -0.183 18302 8384 1 20 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.375 0.458 18302 8385 1 20 . 1 1 35 35 VAL H H 35 8.230 8.230 7.816 0.414 18302 8386 1 20 . 1 1 36 36 MET N N 36 118.074 118.074 117.484 0.590 18302 8387 1 20 . 1 1 36 36 MET HA H 36 4.124 4.124 4.177 -0.053 18302 8388 1 20 . 1 1 36 36 MET C C 36 179.518 179.518 178.608 0.910 18302 8389 1 20 . 1 1 36 36 MET CA C 36 58.400 58.400 57.664 0.736 18302 8390 1 20 . 1 1 36 36 MET CB C 36 31.233 31.233 31.595 -0.362 18302 8391 1 20 . 1 1 36 36 MET H H 36 8.746 8.746 8.551 0.195 18302 8392 1 20 . 1 1 37 37 ARG N N 37 118.931 118.931 121.012 -2.081 18302 8393 1 20 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.166 0.684 18302 8394 1 20 . 1 1 37 37 ARG C C 37 181.608 181.608 179.230 2.378 18302 8395 1 20 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.369 -0.015 18302 8396 1 20 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.486 -0.666 18302 8397 1 20 . 1 1 37 37 ARG H H 37 8.559 8.559 8.710 -0.151 18302 8398 1 20 . 1 1 38 38 SER N N 38 119.164 119.164 117.011 2.153 18302 8399 1 20 . 1 1 38 38 SER HA H 38 4.445 4.445 4.194 0.251 18302 8400 1 20 . 1 1 38 38 SER C C 38 175.212 175.212 175.981 -0.769 18302 8401 1 20 . 1 1 38 38 SER CA C 38 61.698 61.698 61.520 0.178 18302 8402 1 20 . 1 1 38 38 SER CB C 38 62.733 62.733 62.824 -0.091 18302 8403 1 20 . 1 1 38 38 SER H H 38 8.075 8.075 8.626 -0.551 18302 8404 1 20 . 1 1 39 39 LEU N N 39 120.667 120.667 119.784 0.883 18302 8405 1 20 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.340 -0.110 18302 8406 1 20 . 1 1 39 39 LEU C C 39 177.740 177.740 177.560 0.180 18302 8407 1 20 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.202 -0.899 18302 8408 1 20 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.467 -0.693 18302 8409 1 20 . 1 1 39 39 LEU H H 39 7.419 7.419 7.412 0.007 18302 8410 1 20 . 1 1 40 40 GLY N N 40 107.175 107.175 107.533 -0.358 18302 8411 1 20 . 1 1 40 40 GLY C C 40 174.723 174.723 173.485 1.238 18302 8412 1 20 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.828 0.672 18302 8413 1 20 . 1 1 40 40 GLY H H 40 7.900 7.900 8.212 -0.312 18302 8414 1 20 . 1 1 41 41 GLN N N 41 117.918 117.918 120.066 -2.148 18302 8415 1 20 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.471 -0.341 18302 8416 1 20 . 1 1 41 41 GLN C C 41 174.428 174.428 175.682 -1.254 18302 8417 1 20 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.653 0.347 18302 8418 1 20 . 1 1 41 41 GLN CB C 41 29.820 29.820 30.674 -0.854 18302 8419 1 20 . 1 1 41 41 GLN H H 41 7.746 7.746 7.664 0.082 18302 8420 1 20 . 1 1 42 42 ASN N N 42 119.000 119.000 124.609 -5.609 18302 8421 1 20 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.650 -0.050 18302 8422 1 20 . 1 1 42 42 ASN H H 42 8.250 8.250 8.673 -0.423 18302 8423 1 20 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.325 0.875 18302 8424 1 20 . 1 1 43 43 PRO C C 43 177.909 177.909 176.124 1.785 18302 8425 1 20 . 1 1 43 43 PRO CA C 43 62.284 62.284 64.198 -1.914 18302 8426 1 20 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.875 -0.142 18302 8427 1 20 . 1 1 44 44 THR N N 44 113.390 113.390 115.283 -1.893 18302 8428 1 20 . 1 1 44 44 THR HA H 44 4.450 4.450 4.408 0.042 18302 8429 1 20 . 1 1 44 44 THR C C 44 175.483 175.483 174.682 0.801 18302 8430 1 20 . 1 1 44 44 THR CA C 44 60.526 60.526 62.653 -2.127 18302 8431 1 20 . 1 1 44 44 THR CB C 44 71.541 71.541 68.860 2.681 18302 8432 1 20 . 1 1 44 44 THR H H 44 8.982 8.982 8.341 0.641 18302 8433 1 20 . 1 1 45 45 GLU N N 45 120.632 120.632 122.387 -1.755 18302 8434 1 20 . 1 1 45 45 GLU HA H 45 3.950 3.950 4.099 -0.149 18302 8435 1 20 . 1 1 45 45 GLU C C 45 179.348 179.348 177.251 2.097 18302 8436 1 20 . 1 1 45 45 GLU CA C 45 59.000 59.000 58.592 0.409 18302 8437 1 20 . 1 1 45 45 GLU CB C 45 29.733 29.733 28.750 0.983 18302 8438 1 20 . 1 1 45 45 GLU H H 45 8.854 8.854 8.599 0.255 18302 8439 1 20 . 1 1 46 46 THR N N 46 121.035 121.035 122.635 -1.600 18302 8440 1 20 . 1 1 46 46 THR HA H 46 4.121 4.121 4.145 -0.024 18302 8441 1 20 . 1 1 46 46 THR C C 46 175.463 175.463 176.742 -1.279 18302 8442 1 20 . 1 1 46 46 THR CA C 46 62.324 62.324 64.962 -2.638 18302 8443 1 20 . 1 1 46 46 THR CB C 46 70.088 70.088 67.926 2.162 18302 8444 1 20 . 1 1 46 46 THR H H 46 8.295 8.295 8.194 0.101 18302 8445 1 20 . 1 1 47 47 GLY N N 47 111.232 111.232 108.119 3.113 18302 8446 1 20 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.068 -0.131 18302 8447 1 20 . 1 1 47 47 GLY C C 47 174.998 174.998 177.145 -2.147 18302 8448 1 20 . 1 1 47 47 GLY CA C 47 45.921 45.921 47.774 -1.853 18302 8449 1 20 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.142 0.678 18302 8450 1 20 . 1 1 47 47 GLY H H 47 8.720 8.720 7.754 0.966 18302 8451 1 20 . 1 1 48 48 ALA N N 48 124.417 124.417 121.035 3.382 18302 8452 1 20 . 1 1 48 48 ALA HA H 48 4.282 4.282 4.000 0.282 18302 8453 1 20 . 1 1 48 48 ALA C C 48 177.866 177.866 179.831 -1.965 18302 8454 1 20 . 1 1 48 48 ALA CA C 48 53.825 53.825 55.145 -1.320 18302 8455 1 20 . 1 1 48 48 ALA CB C 48 19.387 19.387 17.916 1.471 18302 8456 1 20 . 1 1 48 48 ALA H H 48 8.365 8.365 7.407 0.958 18302 8457 1 20 . 1 1 49 49 ALA N N 49 122.129 122.129 122.083 0.046 18302 8458 1 20 . 1 1 49 49 ALA HA H 49 4.246 4.246 3.834 0.412 18302 8459 1 20 . 1 1 49 49 ALA C C 49 178.647 178.647 180.229 -1.582 18302 8460 1 20 . 1 1 49 49 ALA CA C 49 53.171 53.171 55.642 -2.471 18302 8461 1 20 . 1 1 49 49 ALA CB C 49 16.149 16.149 18.564 -2.415 18302 8462 1 20 . 1 1 49 49 ALA H H 49 8.318 8.318 7.914 0.404 18302 8463 1 20 . 1 1 50 50 LEU N N 50 120.817 120.817 120.348 0.469 18302 8464 1 20 . 1 1 50 50 LEU HA H 50 4.125 4.125 4.168 -0.043 18302 8465 1 20 . 1 1 50 50 LEU C C 50 177.367 177.367 179.172 -1.805 18302 8466 1 20 . 1 1 50 50 LEU CA C 50 55.726 55.726 57.769 -2.043 18302 8467 1 20 . 1 1 50 50 LEU CB C 50 42.100 42.100 42.124 -0.025 18302 8468 1 20 . 1 1 50 50 LEU H H 50 8.126 8.126 7.817 0.309 18302 8469 1 20 . 1 1 51 51 SER N N 51 116.273 116.273 115.447 0.826 18302 8470 1 20 . 1 1 51 51 SER HA H 51 4.057 4.057 4.182 -0.125 18302 8471 1 20 . 1 1 51 51 SER C C 51 175.939 175.939 177.067 -1.128 18302 8472 1 20 . 1 1 51 51 SER CA C 51 61.429 61.429 60.767 0.663 18302 8473 1 20 . 1 1 51 51 SER CB C 51 28.648 28.648 32.385 -3.737 18302 8474 1 20 . 1 1 51 51 SER H H 51 7.917 7.917 7.722 0.195 18302 8475 1 20 . 1 1 52 52 TRP N N 52 123.132 123.132 120.578 2.554 18302 8476 1 20 . 1 1 52 52 TRP HA H 52 4.597 4.597 4.044 0.553 18302 8477 1 20 . 1 1 52 52 TRP C C 52 178.377 178.377 178.576 -0.199 18302 8478 1 20 . 1 1 52 52 TRP CA C 52 61.665 61.665 61.803 -0.138 18302 8479 1 20 . 1 1 52 52 TRP CB C 52 29.388 29.388 28.954 0.434 18302 8480 1 20 . 1 1 52 52 TRP H H 52 8.732 8.732 8.880 -0.148 18302 8481 1 20 . 1 1 53 53 GLN N N 53 117.115 117.115 118.373 -1.258 18302 8482 1 20 . 1 1 53 53 GLN HA H 53 3.969 3.969 3.987 -0.018 18302 8483 1 20 . 1 1 53 53 GLN C C 53 177.779 177.779 177.605 0.174 18302 8484 1 20 . 1 1 53 53 GLN CA C 53 59.332 59.332 58.913 0.420 18302 8485 1 20 . 1 1 53 53 GLN CB C 53 28.150 28.150 28.580 -0.430 18302 8486 1 20 . 1 1 53 53 GLN H H 53 8.480 8.480 7.770 0.710 18302 8487 1 20 . 1 1 54 54 ALA N N 54 120.557 120.557 122.303 -1.746 18302 8488 1 20 . 1 1 54 54 ALA HA H 54 4.268 4.268 4.101 0.167 18302 8489 1 20 . 1 1 54 54 ALA C C 54 181.023 181.023 179.315 1.708 18302 8490 1 20 . 1 1 54 54 ALA CA C 54 54.640 54.640 54.597 0.043 18302 8491 1 20 . 1 1 54 54 ALA CB C 54 18.609 18.609 19.258 -0.649 18302 8492 1 20 . 1 1 54 54 ALA H H 54 8.003 8.003 7.472 0.531 18302 8493 1 20 . 1 1 55 55 ALA N N 55 122.442 122.442 117.472 4.970 18302 8494 1 20 . 1 1 55 55 ALA HA H 55 4.117 4.117 4.067 0.050 18302 8495 1 20 . 1 1 55 55 ALA C C 55 179.069 179.069 177.838 1.231 18302 8496 1 20 . 1 1 55 55 ALA CA C 55 55.478 55.478 53.297 2.181 18302 8497 1 20 . 1 1 55 55 ALA CB C 55 18.235 18.235 18.824 -0.589 18302 8498 1 20 . 1 1 55 55 ALA H H 55 8.283 8.283 7.880 0.403 18302 8499 1 20 . 1 1 56 56 ILE N N 56 119.035 119.035 120.786 -1.751 18302 8500 1 20 . 1 1 56 56 ILE HA H 56 3.811 3.811 3.920 -0.109 18302 8501 1 20 . 1 1 56 56 ILE C C 56 177.968 177.968 177.260 0.708 18302 8502 1 20 . 1 1 56 56 ILE CA C 56 65.950 65.950 62.607 3.343 18302 8503 1 20 . 1 1 56 56 ILE CB C 56 38.315 38.315 39.168 -0.853 18302 8504 1 20 . 1 1 56 56 ILE H H 56 8.682 8.682 7.349 1.333 18302 8505 1 20 . 1 1 57 57 ASP N N 57 119.160 119.160 126.902 -7.742 18302 8506 1 20 . 1 1 57 57 ASP HA H 57 4.400 4.400 4.411 -0.011 18302 8507 1 20 . 1 1 57 57 ASP C C 57 179.117 179.117 176.849 2.268 18302 8508 1 20 . 1 1 57 57 ASP CA C 57 53.690 53.690 56.230 -2.540 18302 8509 1 20 . 1 1 57 57 ASP CB C 57 40.640 40.640 40.961 -0.320 18302 8510 1 20 . 1 1 57 57 ASP H H 57 8.393 8.393 8.907 -0.514 18302 8511 1 20 . 1 1 58 58 ALA N N 58 122.077 122.077 119.393 2.684 18302 8512 1 20 . 1 1 58 58 ALA HA H 58 4.500 4.500 4.380 0.120 18302 8513 1 20 . 1 1 58 58 ALA C C 58 180.605 180.605 178.003 2.602 18302 8514 1 20 . 1 1 58 58 ALA CA C 58 54.968 54.968 50.790 4.178 18302 8515 1 20 . 1 1 58 58 ALA CB C 58 18.534 18.534 19.798 -1.264 18302 8516 1 20 . 1 1 58 58 ALA H H 58 8.153 8.153 7.740 0.413 18302 8517 1 20 . 1 1 59 59 ALA N N 59 123.120 123.120 121.602 1.518 18302 8518 1 20 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.895 0.151 18302 8519 1 20 . 1 1 59 59 ALA C C 59 180.385 180.385 177.747 2.638 18302 8520 1 20 . 1 1 59 59 ALA CA C 59 54.929 54.929 52.830 2.099 18302 8521 1 20 . 1 1 59 59 ALA H H 59 8.807 8.807 7.818 0.989 18302 8522 1 20 . 1 1 60 60 ARG N N 60 119.705 119.705 120.068 -0.363 18302 8523 1 20 . 1 1 60 60 ARG HA H 60 3.988 3.988 4.255 -0.267 18302 8524 1 20 . 1 1 60 60 ARG C C 60 179.348 179.348 176.685 2.663 18302 8525 1 20 . 1 1 60 60 ARG CA C 60 59.608 59.608 56.669 2.938 18302 8526 1 20 . 1 1 60 60 ARG CB C 60 30.295 30.295 31.304 -1.009 18302 8527 1 20 . 1 1 60 60 ARG H H 60 8.674 8.674 8.793 -0.119 18302 8528 1 20 . 1 1 61 61 GLN N N 61 119.132 119.132 118.709 0.423 18302 8529 1 20 . 1 1 61 61 GLN HA H 61 4.096 4.096 3.998 0.098 18302 8530 1 20 . 1 1 61 61 GLN C C 61 177.615 177.615 173.877 3.738 18302 8531 1 20 . 1 1 61 61 GLN CA C 61 58.230 58.230 55.553 2.677 18302 8532 1 20 . 1 1 61 61 GLN H H 61 8.053 8.053 8.050 0.003 18302 8533 1 20 . 1 1 62 62 ALA N N 62 120.910 120.910 118.354 2.556 18302 8534 1 20 . 1 1 62 62 ALA HA H 62 4.177 4.177 4.162 0.015 18302 8535 1 20 . 1 1 62 62 ALA C C 62 179.311 179.311 175.365 3.946 18302 8536 1 20 . 1 1 62 62 ALA CA C 62 53.947 53.947 52.278 1.669 18302 8537 1 20 . 1 1 62 62 ALA CB C 62 18.536 18.536 19.399 -0.863 18302 8538 1 20 . 1 1 62 62 ALA H H 62 7.920 7.920 7.969 -0.049 18302 8539 1 20 . 1 1 63 63 LYS N N 63 117.863 117.863 123.190 -5.327 18302 8540 1 20 . 1 1 63 63 LYS HA H 63 4.156 4.156 4.595 -0.439 18302 8541 1 20 . 1 1 63 63 LYS C C 63 178.324 178.324 175.743 2.581 18302 8542 1 20 . 1 1 63 63 LYS CA C 63 57.887 57.887 53.231 4.656 18302 8543 1 20 . 1 1 63 63 LYS CB C 63 31.780 31.780 34.135 -2.355 18302 8544 1 20 . 1 1 63 63 LYS H H 63 7.680 7.680 8.494 -0.814 18302 8545 1 20 . 1 1 64 64 LEU N N 64 119.697 119.697 126.253 -6.556 18302 8546 1 20 . 1 1 64 64 LEU HA H 64 4.193 4.193 4.308 -0.115 18302 8547 1 20 . 1 1 64 64 LEU C C 64 178.459 178.459 178.266 0.193 18302 8548 1 20 . 1 1 64 64 LEU CA C 64 56.443 56.443 53.356 3.087 18302 8549 1 20 . 1 1 64 64 LEU CB C 64 42.161 42.161 44.000 -1.839 18302 8550 1 20 . 1 1 64 64 LEU H H 64 7.895 7.895 8.283 -0.388 18302 8551 1 20 . 1 1 65 65 MET N N 65 117.184 117.184 118.083 -0.899 18302 8552 1 20 . 1 1 65 65 MET HA H 65 4.472 4.472 4.227 0.245 18302 8553 1 20 . 1 1 65 65 MET C C 65 177.053 177.053 176.077 0.976 18302 8554 1 20 . 1 1 65 65 MET CA C 65 55.889 55.889 59.774 -3.885 18302 8555 1 20 . 1 1 65 65 MET CB C 65 33.010 33.010 29.187 3.823 18302 8556 1 20 . 1 1 65 65 MET H H 65 7.958 7.958 7.496 0.462 18302 8557 1 20 . 1 1 66 66 GLY HA H 66 3.850 3.850 4.095 -0.245 18302 8558 1 20 . 1 1 66 66 GLY C C 66 174.137 174.137 176.256 -2.119 18302 8559 1 20 . 1 1 66 66 GLY CA C 66 45.590 45.590 47.890 -2.300 18302 8560 1 20 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.857 -0.024 18302 8561 1 20 . 1 1 67 67 SER N N 67 115.622 115.622 113.436 2.186 18302 8562 1 20 . 1 1 67 67 SER HA H 67 4.472 4.472 4.173 0.299 18302 8563 1 20 . 1 1 67 67 SER C C 67 173.300 173.300 176.911 -3.611 18302 8564 1 20 . 1 1 67 67 SER CA C 67 58.182 58.182 61.199 -3.017 18302 8565 1 20 . 1 1 67 67 SER CB C 67 64.389 64.389 62.150 2.240 18302 8566 1 20 . 1 1 67 67 SER H H 67 8.127 8.127 8.466 -0.339 18302 8567 1 20 . 1 1 68 68 ALA N N 68 131.351 131.351 124.289 7.062 18302 8568 1 20 . 1 1 68 68 ALA HA H 68 4.200 4.200 4.021 0.179 18302 8569 1 20 . 1 1 68 68 ALA C C 68 176.792 176.792 177.222 -0.430 18302 8570 1 20 . 1 1 68 68 ALA CA C 68 54.116 54.116 55.328 -1.212 18302 8571 1 20 . 1 1 68 68 ALA CB C 68 20.248 20.248 19.247 1.001 18302 8572 1 20 . 1 1 68 68 ALA H H 68 7.984 7.984 8.084 -0.100 18302 8573 1 20 . 1 1 69 69 LEU N N 69 119.986 119.986 120.385 -0.399 18302 8574 1 20 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.907 -0.557 18302 8575 1 20 . 1 1 69 69 LEU C C 69 178.468 178.468 178.464 0.004 18302 8576 1 20 . 1 1 69 69 LEU CA C 69 57.919 57.919 58.589 -0.670 18302 8577 1 20 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.694 -0.694 18302 8578 1 20 . 1 1 69 69 LEU H H 69 9.062 9.062 7.886 1.176 18302 8579 1 20 . 1 1 70 70 THR N N 70 114.834 114.834 115.472 -0.638 18302 8580 1 20 . 1 1 70 70 THR HA H 70 4.100 4.100 3.834 0.266 18302 8581 1 20 . 1 1 70 70 THR C C 70 176.391 176.391 176.539 -0.148 18302 8582 1 20 . 1 1 70 70 THR CA C 70 61.833 61.833 66.396 -4.563 18302 8583 1 20 . 1 1 70 70 THR CB C 70 68.267 68.267 68.839 -0.572 18302 8584 1 20 . 1 1 70 70 THR H H 70 7.710 7.710 8.059 -0.349 18302 8585 1 20 . 1 1 71 71 MET N N 71 120.233 120.233 118.215 2.018 18302 8586 1 20 . 1 1 71 71 MET HA H 71 3.850 3.850 4.230 -0.380 18302 8587 1 20 . 1 1 71 71 MET C C 71 178.145 178.145 177.322 0.823 18302 8588 1 20 . 1 1 71 71 MET CA C 71 58.768 58.768 57.987 0.781 18302 8589 1 20 . 1 1 71 71 MET CB C 71 31.233 31.233 32.656 -1.423 18302 8590 1 20 . 1 1 71 71 MET H H 71 7.034 7.034 8.125 -1.091 18302 8591 1 20 . 1 1 72 72 MET N N 72 118.621 118.621 118.886 -0.265 18302 8592 1 20 . 1 1 72 72 MET HA H 72 3.800 3.800 4.376 -0.576 18302 8593 1 20 . 1 1 72 72 MET C C 72 178.930 178.930 176.975 1.955 18302 8594 1 20 . 1 1 72 72 MET CA C 72 56.500 56.500 56.818 -0.318 18302 8595 1 20 . 1 1 72 72 MET CB C 72 32.733 32.733 32.447 0.286 18302 8596 1 20 . 1 1 72 72 MET H H 72 7.839 7.839 7.116 0.723 18302 8597 1 20 . 1 1 73 73 ALA N N 73 120.567 120.567 121.755 -1.188 18302 8598 1 20 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.385 -0.250 18302 8599 1 20 . 1 1 73 73 ALA C C 73 179.332 179.332 178.043 1.289 18302 8600 1 20 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.049 2.031 18302 8601 1 20 . 1 1 73 73 ALA CB C 73 18.453 18.453 17.618 0.835 18302 8602 1 20 . 1 1 73 73 ALA H H 73 8.240 8.240 7.835 0.405 18302 8603 1 20 . 1 1 74 74 ARG N N 74 116.784 116.784 117.632 -0.848 18302 8604 1 20 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.197 -0.060 18302 8605 1 20 . 1 1 74 74 ARG C C 74 177.511 177.511 177.171 0.340 18302 8606 1 20 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.950 0.646 18302 8607 1 20 . 1 1 74 74 ARG CB C 74 30.406 30.406 29.932 0.474 18302 8608 1 20 . 1 1 74 74 ARG H H 74 7.382 7.382 7.733 -0.351 18302 8609 1 20 . 1 1 75 75 LYS N N 75 118.548 118.548 120.317 -1.769 18302 8610 1 20 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.279 0.027 18302 8611 1 20 . 1 1 75 75 LYS C C 75 176.937 176.937 176.343 0.594 18302 8612 1 20 . 1 1 75 75 LYS CA C 75 55.000 55.000 55.526 -0.526 18302 8613 1 20 . 1 1 75 75 LYS CB C 75 32.750 32.750 32.237 0.513 18302 8614 1 20 . 1 1 75 75 LYS H H 75 7.732 7.732 7.787 -0.055 18302 8615 1 20 . 1 1 76 76 MET N N 76 120.367 120.367 116.186 4.181 18302 8616 1 20 . 1 1 76 76 MET HA H 76 4.443 4.443 3.906 0.537 18302 8617 1 20 . 1 1 76 76 MET C C 76 175.539 175.539 176.579 -1.040 18302 8618 1 20 . 1 1 76 76 MET CA C 76 55.500 55.500 58.131 -2.631 18302 8619 1 20 . 1 1 76 76 MET CB C 76 32.733 32.733 30.863 1.870 18302 8620 1 20 . 1 1 76 76 MET H H 76 7.863 7.863 8.064 -0.201 18302 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 93 3.580 -0.037 3.600 18302 2 1 1 "Average Difference" HA 104 0.364 -0.074 0.358 18302 3 1 1 "Average Difference" C 96 1.358 -0.515 1.264 18302 4 1 1 "Average Difference" CA 97 1.737 0.000 1.746 18302 5 1 1 "Average Difference" CB 86 1.317 -0.072 1.323 18302 6 1 1 "Average Difference" HN 93 0.611 -0.161 0.592 18302 7 1 2 "Average Difference" N 93 3.549 0.123 3.566 18302 8 1 2 "Average Difference" HA 104 0.373 -0.080 0.366 18302 9 1 2 "Average Difference" C 96 1.362 -0.460 1.288 18302 10 1 2 "Average Difference" CA 97 1.705 0.098 1.711 18302 11 1 2 "Average Difference" CB 86 1.223 -0.139 1.222 18302 12 1 2 "Average Difference" HN 93 0.628 -0.116 0.620 18302 13 1 3 "Average Difference" N 93 3.148 0.071 3.164 18302 14 1 3 "Average Difference" HA 104 0.373 -0.089 0.364 18302 15 1 3 "Average Difference" C 96 1.323 -0.408 1.265 18302 16 1 3 "Average Difference" CA 97 1.701 0.140 1.704 18302 17 1 3 "Average Difference" CB 86 1.353 -0.114 1.356 18302 18 1 3 "Average Difference" HN 93 0.616 -0.080 0.614 18302 19 1 4 "Average Difference" N 93 3.656 0.134 3.673 18302 20 1 4 "Average Difference" HA 104 0.378 -0.082 0.371 18302 21 1 4 "Average Difference" C 96 1.364 -0.436 1.299 18302 22 1 4 "Average Difference" CA 97 1.674 0.167 1.674 18302 23 1 4 "Average Difference" CB 86 1.303 -0.032 1.310 18302 24 1 4 "Average Difference" HN 93 0.605 -0.095 0.601 18302 25 1 5 "Average Difference" N 93 3.554 0.071 3.573 18302 26 1 5 "Average Difference" HA 104 0.344 -0.070 0.339 18302 27 1 5 "Average Difference" C 96 1.441 -0.569 1.330 18302 28 1 5 "Average Difference" CA 97 1.666 0.201 1.663 18302 29 1 5 "Average Difference" CB 86 1.322 0.038 1.330 18302 30 1 5 "Average Difference" HN 93 0.635 -0.113 0.628 18302 31 1 6 "Average Difference" N 93 3.629 0.053 3.648 18302 32 1 6 "Average Difference" HA 104 0.375 -0.075 0.369 18302 33 1 6 "Average Difference" C 96 1.352 -0.468 1.275 18302 34 1 6 "Average Difference" CA 97 1.728 -0.007 1.737 18302 35 1 6 "Average Difference" CB 86 1.295 -0.033 1.302 18302 36 1 6 "Average Difference" HN 93 0.630 -0.139 0.618 18302 37 1 7 "Average Difference" N 93 3.683 -0.173 3.699 18302 38 1 7 "Average Difference" HA 104 0.351 -0.072 0.345 18302 39 1 7 "Average Difference" C 96 1.389 -0.505 1.301 18302 40 1 7 "Average Difference" CA 97 1.743 0.074 1.750 18302 41 1 7 "Average Difference" CB 86 1.254 -0.074 1.259 18302 42 1 7 "Average Difference" HN 93 0.634 -0.135 0.623 18302 43 1 8 "Average Difference" N 93 3.633 0.018 3.653 18302 44 1 8 "Average Difference" HA 104 0.357 -0.074 0.351 18302 45 1 8 "Average Difference" C 96 1.386 -0.485 1.305 18302 46 1 8 "Average Difference" CA 97 1.836 0.042 1.845 18302 47 1 8 "Average Difference" CB 86 1.340 -0.019 1.348 18302 48 1 8 "Average Difference" HN 93 0.641 -0.162 0.624 18302 49 1 9 "Average Difference" N 93 3.163 -0.190 3.174 18302 50 1 9 "Average Difference" HA 104 0.376 -0.058 0.374 18302 51 1 9 "Average Difference" C 96 1.389 -0.532 1.290 18302 52 1 9 "Average Difference" CA 97 1.803 -0.112 1.809 18302 53 1 9 "Average Difference" CB 86 1.292 0.002 1.299 18302 54 1 9 "Average Difference" HN 93 0.669 -0.128 0.660 18302 55 1 10 "Average Difference" N 93 3.672 0.286 3.681 18302 56 1 10 "Average Difference" HA 104 0.368 -0.073 0.362 18302 57 1 10 "Average Difference" C 96 1.352 -0.484 1.269 18302 58 1 10 "Average Difference" CA 97 1.706 0.058 1.714 18302 59 1 10 "Average Difference" CB 86 1.277 -0.035 1.284 18302 60 1 10 "Average Difference" HN 93 0.630 -0.072 0.630 18302 61 1 11 "Average Difference" N 93 3.190 0.008 3.208 18302 62 1 11 "Average Difference" HA 104 0.370 -0.065 0.366 18302 63 1 11 "Average Difference" C 96 1.369 -0.515 1.275 18302 64 1 11 "Average Difference" CA 97 1.709 -0.013 1.718 18302 65 1 11 "Average Difference" CB 86 1.286 -0.018 1.293 18302 66 1 11 "Average Difference" HN 93 0.655 -0.095 0.652 18302 67 1 12 "Average Difference" N 93 3.551 0.128 3.568 18302 68 1 12 "Average Difference" HA 104 0.375 -0.068 0.370 18302 69 1 12 "Average Difference" C 96 1.427 -0.518 1.337 18302 70 1 12 "Average Difference" CA 97 1.768 -0.011 1.777 18302 71 1 12 "Average Difference" CB 86 1.321 -0.130 1.323 18302 72 1 12 "Average Difference" HN 93 0.639 -0.138 0.627 18302 73 1 13 "Average Difference" N 93 3.266 -0.015 3.283 18302 74 1 13 "Average Difference" HA 104 0.342 -0.064 0.338 18302 75 1 13 "Average Difference" C 96 1.401 -0.478 1.324 18302 76 1 13 "Average Difference" CA 97 1.748 -0.095 1.754 18302 77 1 13 "Average Difference" CB 86 1.255 -0.126 1.256 18302 78 1 13 "Average Difference" HN 93 0.659 -0.132 0.649 18302 79 1 14 "Average Difference" N 93 3.631 0.181 3.646 18302 80 1 14 "Average Difference" HA 104 0.406 -0.082 0.400 18302 81 1 14 "Average Difference" C 96 1.329 -0.400 1.274 18302 82 1 14 "Average Difference" CA 97 1.670 0.147 1.672 18302 83 1 14 "Average Difference" CB 86 1.289 -0.002 1.297 18302 84 1 14 "Average Difference" HN 93 0.618 -0.092 0.614 18302 85 1 15 "Average Difference" N 93 3.126 0.004 3.143 18302 86 1 15 "Average Difference" HA 104 0.381 -0.078 0.375 18302 87 1 15 "Average Difference" C 96 1.340 -0.449 1.269 18302 88 1 15 "Average Difference" CA 97 1.697 0.068 1.704 18302 89 1 15 "Average Difference" CB 86 1.340 -0.141 1.341 18302 90 1 15 "Average Difference" HN 93 0.616 -0.114 0.609 18302 91 1 16 "Average Difference" N 93 3.094 0.058 3.110 18302 92 1 16 "Average Difference" HA 104 0.345 -0.061 0.341 18302 93 1 16 "Average Difference" C 96 1.445 -0.534 1.350 18302 94 1 16 "Average Difference" CA 97 1.698 -0.015 1.706 18302 95 1 16 "Average Difference" CB 86 1.266 -0.013 1.273 18302 96 1 16 "Average Difference" HN 93 0.629 -0.126 0.620 18302 97 1 17 "Average Difference" N 93 3.792 0.171 3.809 18302 98 1 17 "Average Difference" HA 104 0.416 -0.104 0.405 18302 99 1 17 "Average Difference" C 96 1.349 -0.494 1.262 18302 100 1 17 "Average Difference" CA 97 1.729 0.052 1.737 18302 101 1 17 "Average Difference" CB 86 1.265 -0.008 1.272 18302 102 1 17 "Average Difference" HN 93 0.620 -0.113 0.613 18302 103 1 18 "Average Difference" N 93 3.227 0.030 3.245 18302 104 1 18 "Average Difference" HA 104 0.355 -0.094 0.344 18302 105 1 18 "Average Difference" C 96 1.391 -0.483 1.312 18302 106 1 18 "Average Difference" CA 97 1.674 0.057 1.682 18302 107 1 18 "Average Difference" CB 86 1.261 -0.205 1.251 18302 108 1 18 "Average Difference" HN 93 0.633 -0.161 0.615 18302 109 1 19 "Average Difference" N 93 3.539 0.189 3.553 18302 110 1 19 "Average Difference" HA 104 0.368 -0.100 0.356 18302 111 1 19 "Average Difference" C 96 1.333 -0.446 1.263 18302 112 1 19 "Average Difference" CA 97 1.688 0.091 1.695 18302 113 1 19 "Average Difference" CB 86 1.269 -0.087 1.273 18302 114 1 19 "Average Difference" HN 93 0.611 -0.118 0.603 18302 115 1 20 "Average Difference" N 93 3.460 0.038 3.479 18302 116 1 20 "Average Difference" HA 104 0.341 -0.096 0.328 18302 117 1 20 "Average Difference" C 96 1.450 -0.521 1.360 18302 118 1 20 "Average Difference" CA 97 1.654 0.093 1.660 18302 119 1 20 "Average Difference" CB 86 1.334 -0.128 1.335 18302 120 1 20 "Average Difference" HN 93 0.654 -0.155 0.638 18302 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 18302 _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 ASP HA H 2 4.616 4.616 4.633 -0.017 18302 2 1 . 1 1 2 2 ASP C C 2 175.975 175.975 175.911 0.064 18302 3 1 . 1 1 2 2 ASP CA C 2 54.666 54.666 54.545 0.121 18302 4 1 . 1 1 2 2 ASP CB C 2 41.188 41.188 41.131 0.057 18302 5 1 . 1 1 3 3 GLN N N 3 119.995 119.995 120.291 -0.296 18302 6 1 . 1 1 3 3 GLN HA H 3 4.383 4.383 4.403 -0.020 18302 7 1 . 1 1 3 3 GLN C C 3 175.927 175.927 175.560 0.367 18302 8 1 . 1 1 3 3 GLN CA C 3 52.653 52.653 55.319 -2.666 18302 9 1 . 1 1 3 3 GLN CB C 3 29.234 29.234 29.956 -0.723 18302 10 1 . 1 1 3 3 GLN H H 3 8.414 8.414 8.155 0.259 18302 11 1 . 1 1 4 4 LEU N N 4 123.586 123.586 122.030 1.556 18302 12 1 . 1 1 4 4 LEU HA H 4 4.670 4.670 4.260 0.410 18302 13 1 . 1 1 4 4 LEU C C 4 177.983 177.983 176.338 1.645 18302 14 1 . 1 1 4 4 LEU CA C 4 54.666 54.666 55.950 -1.284 18302 15 1 . 1 1 4 4 LEU CB C 4 43.532 43.532 42.371 1.161 18302 16 1 . 1 1 4 4 LEU H H 4 8.352 8.352 8.453 -0.101 18302 17 1 . 1 1 5 5 THR N N 5 113.292 113.292 112.787 0.505 18302 18 1 . 1 1 5 5 THR HA H 5 4.470 4.470 4.403 0.067 18302 19 1 . 1 1 5 5 THR C C 5 175.729 175.729 174.345 1.384 18302 20 1 . 1 1 5 5 THR CA C 5 60.526 60.526 61.414 -0.888 18302 21 1 . 1 1 5 5 THR CB C 5 71.541 71.541 70.120 1.421 18302 22 1 . 1 1 5 5 THR H H 5 8.735 8.735 7.901 0.834 18302 23 1 . 1 1 6 6 GLU N N 6 120.507 120.507 122.161 -1.654 18302 24 1 . 1 1 6 6 GLU HA H 6 3.991 3.991 3.978 0.013 18302 25 1 . 1 1 6 6 GLU C C 6 179.816 179.816 177.923 1.893 18302 26 1 . 1 1 6 6 GLU CA C 6 59.940 59.940 60.358 -0.418 18302 27 1 . 1 1 6 6 GLU CB C 6 29.234 29.234 29.703 -0.469 18302 28 1 . 1 1 6 6 GLU H H 6 9.060 9.060 8.830 0.230 18302 29 1 . 1 1 7 7 GLU N N 7 120.000 120.000 118.880 1.120 18302 30 1 . 1 1 7 7 GLU HA H 7 4.085 4.085 3.888 0.197 18302 31 1 . 1 1 7 7 GLU C C 7 179.588 179.588 178.735 0.853 18302 32 1 . 1 1 7 7 GLU CA C 7 59.940 59.940 59.806 0.134 18302 33 1 . 1 1 7 7 GLU CB C 7 28.833 28.833 28.841 -0.008 18302 34 1 . 1 1 7 7 GLU H H 7 8.770 8.770 8.492 0.278 18302 35 1 . 1 1 8 8 GLN N N 8 120.798 120.798 118.544 2.254 18302 36 1 . 1 1 8 8 GLN HA H 8 3.830 3.830 4.091 -0.261 18302 37 1 . 1 1 8 8 GLN C C 8 178.179 178.179 178.765 -0.586 18302 38 1 . 1 1 8 8 GLN CA C 8 58.320 58.320 58.997 -0.677 18302 39 1 . 1 1 8 8 GLN CB C 8 29.233 29.233 28.208 1.025 18302 40 1 . 1 1 8 8 GLN H H 8 7.755 7.755 8.373 -0.618 18302 41 1 . 1 1 9 9 ILE N N 9 119.028 119.028 116.385 2.643 18302 42 1 . 1 1 9 9 ILE HA H 9 3.600 3.600 3.937 -0.337 18302 43 1 . 1 1 9 9 ILE C C 9 178.147 178.147 177.939 0.208 18302 44 1 . 1 1 9 9 ILE CA C 9 66.620 66.620 64.982 1.638 18302 45 1 . 1 1 9 9 ILE CB C 9 37.652 37.652 37.263 0.389 18302 46 1 . 1 1 9 9 ILE H H 9 8.253 8.253 7.574 0.679 18302 47 1 . 1 1 10 10 ALA N N 10 120.587 120.587 122.584 -1.997 18302 48 1 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.891 0.249 18302 49 1 . 1 1 10 10 ALA C C 10 181.279 181.279 179.505 1.774 18302 50 1 . 1 1 10 10 ALA CA C 10 55.252 55.252 55.237 0.015 18302 51 1 . 1 1 10 10 ALA CB C 10 17.500 17.500 17.920 -0.420 18302 52 1 . 1 1 10 10 ALA H H 10 8.051 8.051 8.098 -0.047 18302 53 1 . 1 1 11 11 GLU N N 11 120.436 120.436 120.232 0.204 18302 54 1 . 1 1 11 11 GLU HA H 11 4.195 4.195 4.080 0.115 18302 55 1 . 1 1 11 11 GLU C C 11 180.542 180.542 178.714 1.828 18302 56 1 . 1 1 11 11 GLU CA C 11 59.354 59.354 59.335 0.019 18302 57 1 . 1 1 11 11 GLU CB C 11 29.234 29.234 29.690 -0.457 18302 58 1 . 1 1 11 11 GLU H H 11 7.795 7.795 8.529 -0.734 18302 59 1 . 1 1 12 12 PHE N N 12 120.654 120.654 120.238 0.416 18302 60 1 . 1 1 12 12 PHE HA H 12 5.050 5.050 4.439 0.611 18302 61 1 . 1 1 12 12 PHE C C 12 179.155 179.155 177.341 1.814 18302 62 1 . 1 1 12 12 PHE CA C 12 58.760 58.760 60.650 -1.890 18302 63 1 . 1 1 12 12 PHE CB C 12 37.000 37.000 38.852 -1.852 18302 64 1 . 1 1 12 12 PHE H H 12 8.541 8.541 8.440 0.101 18302 65 1 . 1 1 13 13 LYS N N 13 123.600 123.600 119.997 3.603 18302 66 1 . 1 1 13 13 LYS HA H 13 3.993 3.993 3.083 0.910 18302 67 1 . 1 1 13 13 LYS C C 13 179.523 179.523 178.554 0.969 18302 68 1 . 1 1 13 13 LYS CA C 13 59.940 59.940 59.049 0.891 18302 69 1 . 1 1 13 13 LYS CB C 13 31.733 31.733 31.597 0.136 18302 70 1 . 1 1 13 13 LYS H H 13 9.279 9.279 7.494 1.785 18302 71 1 . 1 1 14 14 GLU N N 14 121.150 121.150 118.923 2.227 18302 72 1 . 1 1 14 14 GLU HA H 14 4.121 4.121 3.880 0.241 18302 73 1 . 1 1 14 14 GLU C C 14 179.859 179.859 178.790 1.069 18302 74 1 . 1 1 14 14 GLU CA C 14 59.354 59.354 59.237 0.117 18302 75 1 . 1 1 14 14 GLU CB C 14 29.733 29.733 29.359 0.374 18302 76 1 . 1 1 14 14 GLU H H 14 8.036 8.036 8.000 0.036 18302 77 1 . 1 1 15 15 ALA N N 15 122.010 122.010 121.827 0.183 18302 78 1 . 1 1 15 15 ALA HA H 15 4.349 4.349 3.826 0.523 18302 79 1 . 1 1 15 15 ALA C C 15 178.785 178.785 179.276 -0.491 18302 80 1 . 1 1 15 15 ALA CA C 15 55.252 55.252 54.917 0.334 18302 81 1 . 1 1 15 15 ALA CB C 15 18.000 18.000 18.418 -0.418 18302 82 1 . 1 1 15 15 ALA H H 15 8.034 8.034 7.891 0.143 18302 83 1 . 1 1 16 16 PHE N N 16 119.032 119.032 118.827 0.205 18302 84 1 . 1 1 16 16 PHE HA H 16 3.300 3.300 3.871 -0.571 18302 85 1 . 1 1 16 16 PHE C C 16 178.534 178.534 177.086 1.448 18302 86 1 . 1 1 16 16 PHE CA C 16 62.000 62.000 60.001 1.999 18302 87 1 . 1 1 16 16 PHE CB C 16 40.000 40.000 38.564 1.436 18302 88 1 . 1 1 16 16 PHE H H 16 8.633 8.633 8.384 0.249 18302 89 1 . 1 1 17 17 SER N N 17 113.786 113.786 114.495 -0.709 18302 90 1 . 1 1 17 17 SER HA H 17 4.100 4.100 3.246 0.854 18302 91 1 . 1 1 17 17 SER C C 17 174.639 174.639 175.899 -1.260 18302 92 1 . 1 1 17 17 SER CA C 17 61.500 61.500 61.087 0.413 18302 93 1 . 1 1 17 17 SER CB C 17 63.500 63.500 62.840 0.660 18302 94 1 . 1 1 17 17 SER H H 17 8.215 8.215 7.819 0.396 18302 95 1 . 1 1 18 18 LEU N N 18 120.113 120.113 119.706 0.407 18302 96 1 . 1 1 18 18 LEU HA H 18 3.880 3.880 3.779 0.101 18302 97 1 . 1 1 18 18 LEU C C 18 177.151 177.151 178.502 -1.351 18302 98 1 . 1 1 18 18 LEU CA C 18 56.500 56.500 57.265 -0.765 18302 99 1 . 1 1 18 18 LEU CB C 18 41.500 41.500 41.683 -0.183 18302 100 1 . 1 1 18 18 LEU H H 18 7.417 7.417 7.205 0.212 18302 101 1 . 1 1 19 19 PHE N N 19 112.070 112.070 116.767 -4.697 18302 102 1 . 1 1 19 19 PHE HA H 19 4.400 4.400 4.189 0.211 18302 103 1 . 1 1 19 19 PHE C C 19 175.699 175.699 176.932 -1.233 18302 104 1 . 1 1 19 19 PHE CA C 19 58.400 58.400 59.230 -0.830 18302 105 1 . 1 1 19 19 PHE CB C 19 41.900 41.900 38.863 3.037 18302 106 1 . 1 1 19 19 PHE H H 19 7.043 7.043 7.269 -0.226 18302 107 1 . 1 1 20 20 ASP N N 20 116.223 116.223 119.581 -3.358 18302 108 1 . 1 1 20 20 ASP HA H 20 4.600 4.600 4.670 -0.070 18302 109 1 . 1 1 20 20 ASP C C 20 177.625 177.625 177.347 0.278 18302 110 1 . 1 1 20 20 ASP CA C 20 52.322 52.322 54.154 -1.832 18302 111 1 . 1 1 20 20 ASP CB C 20 39.430 39.430 39.391 0.039 18302 112 1 . 1 1 20 20 ASP H H 20 7.484 7.484 7.898 -0.414 18302 113 1 . 1 1 21 21 LYS N N 21 124.544 124.544 123.032 1.512 18302 114 1 . 1 1 21 21 LYS HA H 21 4.000 4.000 3.940 0.060 18302 115 1 . 1 1 21 21 LYS C C 21 178.513 178.513 177.850 0.663 18302 116 1 . 1 1 21 21 LYS CA C 21 57.700 57.700 58.368 -0.668 18302 117 1 . 1 1 21 21 LYS CB C 21 34.200 34.200 32.068 2.132 18302 118 1 . 1 1 21 21 LYS H H 21 7.601 7.601 8.554 -0.953 18302 119 1 . 1 1 22 22 ASP N N 22 114.320 114.320 115.745 -1.425 18302 120 1 . 1 1 22 22 ASP HA H 22 4.634 4.634 4.462 0.172 18302 121 1 . 1 1 22 22 ASP C C 22 178.039 178.039 177.376 0.663 18302 122 1 . 1 1 22 22 ASP CA C 22 52.908 52.908 54.507 -1.599 18302 123 1 . 1 1 22 22 ASP CB C 22 40.016 40.016 40.237 -0.221 18302 124 1 . 1 1 22 22 ASP H H 22 8.241 8.241 8.205 0.036 18302 125 1 . 1 1 23 23 GLY N N 23 109.478 109.478 108.531 0.947 18302 126 1 . 1 1 23 23 GLY C C 23 175.427 175.427 174.917 0.510 18302 127 1 . 1 1 23 23 GLY CA C 23 47.048 47.048 46.017 1.031 18302 128 1 . 1 1 23 23 GLY H H 23 7.680 7.680 7.978 -0.298 18302 129 1 . 1 1 24 24 ASP N N 24 121.007 121.007 119.974 1.033 18302 130 1 . 1 1 24 24 ASP HA H 24 4.500 4.500 4.600 -0.100 18302 131 1 . 1 1 24 24 ASP C C 24 177.660 177.660 177.671 -0.011 18302 132 1 . 1 1 24 24 ASP CA C 24 54.080 54.080 53.308 0.772 18302 133 1 . 1 1 24 24 ASP CB C 24 40.602 40.602 41.356 -0.754 18302 134 1 . 1 1 24 24 ASP H H 24 8.523 8.523 8.371 0.152 18302 135 1 . 1 1 25 25 GLY N N 25 112.961 112.961 109.441 3.520 18302 136 1 . 1 1 25 25 GLY C C 25 174.198 174.198 173.736 0.462 18302 137 1 . 1 1 25 25 GLY CA C 25 45.290 45.290 45.483 -0.193 18302 138 1 . 1 1 25 25 GLY H H 25 10.539 10.539 9.253 1.286 18302 139 1 . 1 1 26 26 THR N N 26 112.593 112.593 110.834 1.759 18302 140 1 . 1 1 26 26 THR HA H 26 5.560 5.560 5.101 0.459 18302 141 1 . 1 1 26 26 THR C C 26 173.991 173.991 172.992 0.999 18302 142 1 . 1 1 26 26 THR CA C 26 59.500 59.500 59.839 -0.339 18302 143 1 . 1 1 26 26 THR CB C 26 73.299 73.299 72.532 0.767 18302 144 1 . 1 1 26 26 THR H H 26 8.304 8.304 8.564 -0.260 18302 145 1 . 1 1 27 27 ILE N N 27 126.868 126.868 121.602 5.266 18302 146 1 . 1 1 27 27 ILE HA H 27 4.750 4.750 4.899 -0.149 18302 147 1 . 1 1 27 27 ILE C C 27 176.338 176.338 175.534 0.804 18302 148 1 . 1 1 27 27 ILE CA C 27 61.112 61.112 60.120 0.992 18302 149 1 . 1 1 27 27 ILE CB C 27 40.000 40.000 40.776 -0.776 18302 150 1 . 1 1 27 27 ILE H H 27 9.988 9.988 8.295 1.693 18302 151 1 . 1 1 28 28 THR N N 28 116.237 116.237 120.439 -4.202 18302 152 1 . 1 1 28 28 THR HA H 28 4.850 4.850 4.959 -0.109 18302 153 1 . 1 1 28 28 THR C C 28 176.422 176.422 175.872 0.550 18302 154 1 . 1 1 28 28 THR CA C 28 59.000 59.000 60.208 -1.208 18302 155 1 . 1 1 28 28 THR CB C 28 72.713 72.713 71.445 1.268 18302 156 1 . 1 1 28 28 THR H H 28 8.233 8.233 8.636 -0.403 18302 157 1 . 1 1 29 29 THR N N 29 114.660 114.660 116.670 -2.010 18302 158 1 . 1 1 29 29 THR HA H 29 3.800 3.800 3.950 -0.150 18302 159 1 . 1 1 29 29 THR C C 29 177.772 177.772 176.420 1.352 18302 160 1 . 1 1 29 29 THR CA C 29 66.767 66.767 66.621 0.146 18302 161 1 . 1 1 29 29 THR CB C 29 68.611 68.611 68.611 0.000 18302 162 1 . 1 1 29 29 THR H H 29 9.316 9.316 8.894 0.422 18302 163 1 . 1 1 30 30 LYS N N 30 121.300 121.300 121.532 -0.232 18302 164 1 . 1 1 30 30 LYS HA H 30 4.128 4.128 4.033 0.095 18302 165 1 . 1 1 30 30 LYS C C 30 180.194 180.194 178.868 1.326 18302 166 1 . 1 1 30 30 LYS CA C 30 59.354 59.354 60.041 -0.687 18302 167 1 . 1 1 30 30 LYS CB C 30 32.164 32.164 31.861 0.303 18302 168 1 . 1 1 30 30 LYS H H 30 7.900 7.900 8.389 -0.489 18302 169 1 . 1 1 31 31 GLU N N 31 122.184 122.184 119.762 2.422 18302 170 1 . 1 1 31 31 GLU HA H 31 4.000 4.000 4.033 -0.033 18302 171 1 . 1 1 31 31 GLU C C 31 178.964 178.964 178.994 -0.030 18302 172 1 . 1 1 31 31 GLU CA C 31 59.940 59.940 59.599 0.341 18302 173 1 . 1 1 31 31 GLU CB C 31 29.820 29.820 29.379 0.441 18302 174 1 . 1 1 31 31 GLU H H 31 7.900 7.900 8.171 -0.271 18302 175 1 . 1 1 32 32 LEU N N 32 120.000 120.000 120.396 -0.395 18302 176 1 . 1 1 32 32 LEU HA H 32 4.150 4.150 4.167 -0.017 18302 177 1 . 1 1 32 32 LEU C C 32 179.190 179.190 178.721 0.469 18302 178 1 . 1 1 32 32 LEU CA C 32 58.182 58.182 58.059 0.123 18302 179 1 . 1 1 32 32 LEU CB C 32 42.360 42.360 41.655 0.705 18302 180 1 . 1 1 32 32 LEU H H 32 8.600 8.600 8.274 0.326 18302 181 1 . 1 1 33 33 GLY N N 33 105.412 105.412 106.121 -0.710 18302 182 1 . 1 1 33 33 GLY C C 33 175.371 175.371 175.933 -0.562 18302 183 1 . 1 1 33 33 GLY CA C 33 48.806 48.806 47.766 1.040 18302 184 1 . 1 1 33 33 GLY H H 33 8.730 8.730 8.647 0.083 18302 185 1 . 1 1 34 34 THR N N 34 118.762 118.762 119.416 -0.653 18302 186 1 . 1 1 34 34 THR HA H 34 3.950 3.950 3.982 -0.032 18302 187 1 . 1 1 34 34 THR C C 34 177.681 177.681 176.600 1.081 18302 188 1 . 1 1 34 34 THR CA C 34 66.767 66.767 67.401 -0.634 18302 189 1 . 1 1 34 34 THR CB C 34 69.197 69.197 68.591 0.606 18302 190 1 . 1 1 34 34 THR H H 34 8.104 8.104 8.027 0.077 18302 191 1 . 1 1 35 35 VAL N N 35 122.943 122.943 122.011 0.932 18302 192 1 . 1 1 35 35 VAL HA H 35 3.670 3.670 3.693 -0.023 18302 193 1 . 1 1 35 35 VAL C C 35 179.691 179.691 178.263 1.428 18302 194 1 . 1 1 35 35 VAL CA C 35 66.567 66.567 66.656 -0.089 18302 195 1 . 1 1 35 35 VAL CB C 35 31.833 31.833 31.450 0.383 18302 196 1 . 1 1 35 35 VAL H H 35 8.230 8.230 7.652 0.578 18302 197 1 . 1 1 36 36 MET N N 36 118.074 118.074 117.723 0.351 18302 198 1 . 1 1 36 36 MET HA H 36 4.124 4.124 4.150 -0.026 18302 199 1 . 1 1 36 36 MET C C 36 179.518 179.518 178.364 1.154 18302 200 1 . 1 1 36 36 MET CA C 36 58.400 58.400 58.559 -0.158 18302 201 1 . 1 1 36 36 MET CB C 36 31.233 31.233 31.840 -0.607 18302 202 1 . 1 1 36 36 MET H H 36 8.746 8.746 8.482 0.264 18302 203 1 . 1 1 37 37 ARG N N 37 118.931 118.931 120.732 -1.801 18302 204 1 . 1 1 37 37 ARG HA H 37 4.850 4.850 4.171 0.679 18302 205 1 . 1 1 37 37 ARG C C 37 181.608 181.608 179.404 2.204 18302 206 1 . 1 1 37 37 ARG CA C 37 59.354 59.354 59.119 0.235 18302 207 1 . 1 1 37 37 ARG CB C 37 29.820 29.820 30.262 -0.442 18302 208 1 . 1 1 37 37 ARG H H 37 8.559 8.559 8.528 0.031 18302 209 1 . 1 1 38 38 SER N N 38 119.164 119.164 116.538 2.626 18302 210 1 . 1 1 38 38 SER HA H 38 4.445 4.445 4.229 0.216 18302 211 1 . 1 1 38 38 SER C C 38 175.212 175.212 176.023 -0.811 18302 212 1 . 1 1 38 38 SER CA C 38 61.698 61.698 61.383 0.315 18302 213 1 . 1 1 38 38 SER CB C 38 62.733 62.733 62.805 -0.072 18302 214 1 . 1 1 38 38 SER H H 38 8.075 8.075 8.440 -0.365 18302 215 1 . 1 1 39 39 LEU N N 39 120.667 120.667 119.472 1.195 18302 216 1 . 1 1 39 39 LEU HA H 39 4.230 4.230 4.357 -0.127 18302 217 1 . 1 1 39 39 LEU C C 39 177.740 177.740 177.499 0.241 18302 218 1 . 1 1 39 39 LEU CA C 39 54.303 54.303 55.320 -1.017 18302 219 1 . 1 1 39 39 LEU CB C 39 41.774 41.774 42.525 -0.751 18302 220 1 . 1 1 39 39 LEU H H 39 7.419 7.419 7.448 -0.029 18302 221 1 . 1 1 40 40 GLY N N 40 107.175 107.175 106.536 0.639 18302 222 1 . 1 1 40 40 GLY C C 40 174.723 174.723 174.015 0.708 18302 223 1 . 1 1 40 40 GLY CA C 40 45.500 45.500 44.701 0.799 18302 224 1 . 1 1 40 40 GLY H H 40 7.900 7.900 8.046 -0.146 18302 225 1 . 1 1 41 41 GLN N N 41 117.918 117.918 119.990 -2.072 18302 226 1 . 1 1 41 41 GLN HA H 41 4.130 4.130 4.404 -0.274 18302 227 1 . 1 1 41 41 GLN C C 41 174.428 174.428 175.689 -1.261 18302 228 1 . 1 1 41 41 GLN CA C 41 55.000 55.000 54.733 0.267 18302 229 1 . 1 1 41 41 GLN CB C 41 29.820 29.820 30.179 -0.359 18302 230 1 . 1 1 41 41 GLN H H 41 7.746 7.746 7.870 -0.125 18302 231 1 . 1 1 42 42 ASN N N 42 119.000 119.000 122.583 -3.583 18302 232 1 . 1 1 42 42 ASN HA H 42 4.600 4.600 4.621 -0.021 18302 233 1 . 1 1 42 42 ASN H H 42 8.250 8.250 8.598 -0.348 18302 234 1 . 1 1 43 43 PRO HA H 43 5.200 5.200 4.376 0.824 18302 235 1 . 1 1 43 43 PRO C C 43 177.909 177.909 176.463 1.446 18302 236 1 . 1 1 43 43 PRO CA C 43 62.284 62.284 63.690 -1.406 18302 237 1 . 1 1 43 43 PRO CB C 43 31.733 31.733 31.946 -0.213 18302 238 1 . 1 1 44 44 THR N N 44 113.390 113.390 115.001 -1.611 18302 239 1 . 1 1 44 44 THR HA H 44 4.450 4.450 4.310 0.140 18302 240 1 . 1 1 44 44 THR C C 44 175.483 175.483 175.321 0.162 18302 241 1 . 1 1 44 44 THR CA C 44 60.526 60.526 62.235 -1.709 18302 242 1 . 1 1 44 44 THR CB C 44 71.541 71.541 68.862 2.679 18302 243 1 . 1 1 44 44 THR H H 44 8.982 8.982 8.064 0.918 18302 244 1 . 1 1 45 45 GLU N N 45 120.632 120.632 125.048 -4.416 18302 245 1 . 1 1 45 45 GLU HA H 45 3.950 3.950 3.986 -0.036 18302 246 1 . 1 1 45 45 GLU C C 45 179.348 179.348 177.616 1.732 18302 247 1 . 1 1 45 45 GLU CA C 45 59.000 59.000 59.041 -0.041 18302 248 1 . 1 1 45 45 GLU CB C 45 29.733 29.733 29.238 0.495 18302 249 1 . 1 1 45 45 GLU H H 45 8.854 8.854 8.765 0.089 18302 250 1 . 1 1 46 46 THR N N 46 121.035 121.035 122.006 -0.971 18302 251 1 . 1 1 46 46 THR HA H 46 4.121 4.121 4.360 -0.239 18302 252 1 . 1 1 46 46 THR C C 46 355.812 355.812 356.563 -0.751 18302 253 1 . 1 1 46 46 THR CA C 46 117.576 117.576 119.337 -1.761 18302 254 1 . 1 1 46 46 THR CB C 46 88.588 88.588 86.229 2.359 18302 255 1 . 1 1 46 46 THR H H 46 8.295 8.295 8.260 0.035 18302 256 1 . 1 1 47 47 GLY N N 47 230.097 230.097 227.513 2.584 18302 257 1 . 1 1 47 47 GLY HA H 47 3.937 3.937 4.027 -0.090 18302 258 1 . 1 1 47 47 GLY C C 47 355.506 355.506 356.088 -0.582 18302 259 1 . 1 1 47 47 GLY CA C 47 103.921 103.921 107.188 -3.267 18302 260 1 . 1 1 47 47 GLY CB C 47 29.820 29.820 29.324 0.496 18302 261 1 . 1 1 47 47 GLY H H 47 16.438 16.438 15.686 0.752 18302 262 1 . 1 1 48 48 ALA N N 48 244.064 244.064 241.286 2.778 18302 263 1 . 1 1 48 48 ALA HA H 48 8.182 8.182 7.963 0.219 18302 264 1 . 1 1 48 48 ALA C C 48 356.675 356.675 359.012 -2.337 18302 265 1 . 1 1 48 48 ALA CA C 48 111.825 111.825 113.608 -1.783 18302 266 1 . 1 1 48 48 ALA CB C 48 61.747 61.747 59.514 2.233 18302 267 1 . 1 1 48 48 ALA H H 48 16.372 16.372 15.313 1.059 18302 268 1 . 1 1 49 49 ALA N N 49 240.939 240.939 239.112 1.827 18302 269 1 . 1 1 49 49 ALA HA H 49 8.205 8.205 7.729 0.476 18302 270 1 . 1 1 49 49 ALA C C 49 357.431 357.431 358.646 -1.215 18302 271 1 . 1 1 49 49 ALA CA C 49 111.939 111.939 114.809 -2.870 18302 272 1 . 1 1 49 49 ALA CB C 49 45.882 45.882 46.853 -0.971 18302 273 1 . 1 1 49 49 ALA H H 49 16.628 16.628 16.163 0.465 18302 274 1 . 1 1 50 50 LEU N N 50 240.943 240.943 240.225 0.718 18302 275 1 . 1 1 50 50 LEU HA H 50 8.125 8.125 8.667 -0.542 18302 276 1 . 1 1 50 50 LEU C C 50 356.746 356.746 357.052 -0.306 18302 277 1 . 1 1 50 50 LEU CA C 50 113.726 113.726 114.138 -0.412 18302 278 1 . 1 1 50 50 LEU CB C 50 80.100 80.100 83.028 -2.928 18302 279 1 . 1 1 50 50 LEU H H 50 16.376 16.376 15.639 0.738 18302 280 1 . 1 1 51 51 SER N N 51 235.856 235.856 234.521 1.335 18302 281 1 . 1 1 51 51 SER HA H 51 4.057 4.057 4.126 -0.069 18302 282 1 . 1 1 51 51 SER C C 51 356.017 356.017 355.833 0.184 18302 283 1 . 1 1 51 51 SER CA C 51 121.955 121.955 119.613 2.342 18302 284 1 . 1 1 51 51 SER CB C 51 28.648 28.648 32.453 -3.805 18302 285 1 . 1 1 51 51 SER H H 51 15.630 15.630 15.680 -0.050 18302 286 1 . 1 1 52 52 TRP N N 52 244.260 244.260 239.638 4.622 18302 287 1 . 1 1 52 52 TRP HA H 52 8.547 8.547 7.679 0.868 18302 288 1 . 1 1 52 52 TRP C C 52 357.129 357.129 355.770 1.359 18302 289 1 . 1 1 52 52 TRP CA C 52 125.355 125.355 126.756 -1.401 18302 290 1 . 1 1 52 52 TRP CB C 52 65.888 65.888 66.697 -0.809 18302 291 1 . 1 1 52 52 TRP H H 52 16.786 16.786 17.415 -0.629 18302 292 1 . 1 1 53 53 GLN N N 53 235.900 235.900 234.282 1.618 18302 293 1 . 1 1 53 53 GLN HA H 53 8.319 8.319 8.509 -0.190 18302 294 1 . 1 1 53 53 GLN C C 53 355.067 355.067 354.780 0.287 18302 295 1 . 1 1 53 53 GLN CA C 53 114.832 114.832 114.471 0.361 18302 296 1 . 1 1 53 53 GLN CB C 53 65.822 65.822 66.882 -1.059 18302 297 1 . 1 1 53 53 GLN H H 53 17.450 17.450 15.707 1.743 18302 298 1 . 1 1 54 54 ALA N N 54 237.750 237.750 240.931 -3.181 18302 299 1 . 1 1 54 54 ALA HA H 54 8.278 8.278 8.393 -0.115 18302 300 1 . 1 1 54 54 ALA C C 54 358.115 358.115 357.028 1.087 18302 301 1 . 1 1 54 54 ALA CA C 54 114.640 114.640 112.351 2.289 18302 302 1 . 1 1 54 54 ALA CB C 54 49.015 49.015 49.812 -0.797 18302 303 1 . 1 1 54 54 ALA H H 54 15.695 15.695 15.237 0.458 18302 304 1 . 1 1 55 55 ALA N N 55 236.063 236.063 232.732 3.331 18302 305 1 . 1 1 55 55 ALA HA H 55 8.167 8.167 8.285 -0.118 18302 306 1 . 1 1 55 55 ALA C C 55 354.997 354.997 353.503 1.494 18302 307 1 . 1 1 55 55 ALA CA C 55 116.878 116.878 115.265 1.613 18302 308 1 . 1 1 55 55 ALA CB C 55 51.805 51.805 50.124 1.681 18302 309 1 . 1 1 55 55 ALA H H 55 15.483 15.483 15.355 0.128 18302 310 1 . 1 1 56 56 ILE N N 56 239.511 239.511 241.721 -2.209 18302 311 1 . 1 1 56 56 ILE HA H 56 8.358 8.358 8.480 -0.122 18302 312 1 . 1 1 56 56 ILE C C 56 354.000 354.000 352.625 1.375 18302 313 1 . 1 1 56 56 ILE CA C 56 120.030 120.030 116.707 3.324 18302 314 1 . 1 1 56 56 ILE CB C 56 78.917 78.917 79.547 -0.630 18302 315 1 . 1 1 56 56 ILE H H 56 16.572 16.572 15.250 1.322 18302 316 1 . 1 1 57 57 ASP N N 57 225.160 225.160 251.005 -25.845 18302 317 1 . 1 1 57 57 ASP HA H 57 8.900 8.900 8.580 0.320 18302 318 1 . 1 1 57 57 ASP C C 57 358.136 358.136 354.837 3.299 18302 319 1 . 1 1 57 57 ASP CA C 57 107.770 107.770 109.820 -2.050 18302 320 1 . 1 1 57 57 ASP CB C 57 60.640 60.640 59.820 0.820 18302 321 1 . 1 1 57 57 ASP H H 57 16.593 16.593 17.117 -0.524 18302 322 1 . 1 1 58 58 ALA N N 58 236.294 236.294 238.846 -2.552 18302 323 1 . 1 1 58 58 ALA HA H 58 9.150 9.150 8.957 0.193 18302 324 1 . 1 1 58 58 ALA C C 58 358.868 358.868 355.264 3.604 18302 325 1 . 1 1 58 58 ALA CA C 58 107.876 107.876 105.731 2.145 18302 326 1 . 1 1 58 58 ALA CB C 58 58.204 58.204 60.271 -2.067 18302 327 1 . 1 1 58 58 ALA H H 58 16.441 16.441 16.322 0.119 18302 328 1 . 1 1 59 59 ALA N N 59 231.868 231.868 228.859 3.009 18302 329 1 . 1 1 59 59 ALA HA H 59 4.046 4.046 3.907 0.139 18302 330 1 . 1 1 59 59 ALA C C 59 355.663 355.663 352.975 2.688 18302 331 1 . 1 1 59 59 ALA CA C 59 102.929 102.929 98.287 4.642 18302 332 1 . 1 1 59 59 ALA H H 59 16.458 16.458 16.397 0.061 18302 333 1 . 1 1 60 60 ARG N N 60 238.727 238.727 239.906 -1.179 18302 334 1 . 1 1 60 60 ARG HA H 60 8.603 8.603 8.880 -0.277 18302 335 1 . 1 1 60 60 ARG C C 60 356.459 356.459 353.483 2.976 18302 336 1 . 1 1 60 60 ARG CA C 60 112.313 112.313 109.365 2.948 18302 337 1 . 1 1 60 60 ARG CB C 60 67.967 67.967 69.417 -1.450 18302 338 1 . 1 1 60 60 ARG H H 60 16.918 16.918 16.828 0.090 18302 339 1 . 1 1 61 61 GLN N N 61 232.484 232.484 226.396 6.088 18302 340 1 . 1 1 61 61 GLN HA H 61 4.096 4.096 4.009 0.087 18302 341 1 . 1 1 61 61 GLN C C 61 351.190 351.190 347.756 3.434 18302 342 1 . 1 1 61 61 GLN CA C 61 103.520 103.520 101.328 2.192 18302 343 1 . 1 1 61 61 GLN H H 61 18.572 18.572 17.600 0.972 18302 344 1 . 1 1 62 62 ALA N N 62 229.638 229.638 228.814 0.824 18302 345 1 . 1 1 62 62 ALA HA H 62 8.677 8.677 10.151 -1.474 18302 346 1 . 1 1 62 62 ALA C C 62 352.833 352.833 349.532 3.301 18302 347 1 . 1 1 62 62 ALA CA C 62 113.301 113.301 109.436 3.865 18302 348 1 . 1 1 62 62 ALA CB C 62 90.536 90.536 93.721 -3.185 18302 349 1 . 1 1 62 62 ALA H H 62 15.619 15.619 15.445 0.174 18302 350 1 . 1 1 63 63 LYS N N 63 241.634 241.634 245.221 -3.587 18302 351 1 . 1 1 63 63 LYS HA H 63 9.386 9.386 9.351 0.035 18302 352 1 . 1 1 63 63 LYS C C 63 354.107 354.107 351.698 2.409 18302 353 1 . 1 1 63 63 LYS CA C 63 117.241 117.241 112.193 5.048 18302 354 1 . 1 1 63 63 LYS CB C 63 71.796 71.796 71.188 0.608 18302 355 1 . 1 1 63 63 LYS H H 63 16.398 16.398 16.986 -0.588 18302 356 1 . 1 1 64 64 LEU N N 64 247.557 247.557 255.477 -7.920 18302 357 1 . 1 1 64 64 LEU HA H 64 9.793 9.793 9.351 0.442 18302 358 1 . 1 1 64 64 LEU C C 64 354.555 354.555 356.059 -1.504 18302 359 1 . 1 1 64 64 LEU CA C 64 108.179 108.179 107.421 0.758 18302 360 1 . 1 1 64 64 LEU CB C 64 84.521 84.521 85.452 -0.931 18302 361 1 . 1 1 64 64 LEU H H 64 16.708 16.708 16.843 -0.135 18302 362 1 . 1 1 65 65 MET N N 65 235.683 235.683 238.411 -2.728 18302 363 1 . 1 1 65 65 MET HA H 65 8.422 8.422 8.610 -0.187 18302 364 1 . 1 1 65 65 MET C C 65 350.921 350.921 351.241 -0.320 18302 365 1 . 1 1 65 65 MET CA C 65 118.993 118.993 123.230 -4.237 18302 366 1 . 1 1 65 65 MET CB C 65 69.030 69.030 65.923 3.107 18302 367 1 . 1 1 65 65 MET H H 65 16.974 16.974 17.381 -0.407 18302 368 1 . 1 1 66 66 GLY HA H 66 3.850 3.850 3.939 -0.089 18302 369 1 . 1 1 66 66 GLY C C 66 353.785 353.785 354.720 -0.935 18302 370 1 . 1 1 66 66 GLY CA C 66 112.357 112.357 113.686 -1.329 18302 371 1 . 1 1 66 66 GLY CB C 66 30.833 30.833 30.982 -0.149 18302 372 1 . 1 1 67 67 SER N N 67 233.586 233.586 232.166 1.420 18302 373 1 . 1 1 67 67 SER HA H 67 8.522 8.522 8.073 0.449 18302 374 1 . 1 1 67 67 SER C C 67 352.970 352.970 355.603 -2.633 18302 375 1 . 1 1 67 67 SER CA C 67 117.536 117.536 121.037 -3.501 18302 376 1 . 1 1 67 67 SER CB C 67 92.622 92.622 91.402 1.220 18302 377 1 . 1 1 67 67 SER H H 67 16.478 16.478 16.951 -0.473 18302 378 1 . 1 1 68 68 ALA N N 68 255.360 255.360 243.665 11.695 18302 379 1 . 1 1 68 68 ALA HA H 68 8.128 8.128 8.178 -0.050 18302 380 1 . 1 1 68 68 ALA C C 68 176.792 176.792 177.389 -0.598 18302 381 1 . 1 1 68 68 ALA CA C 68 116.616 116.616 116.507 0.109 18302 382 1 . 1 1 68 68 ALA CB C 68 60.948 60.948 58.731 2.217 18302 383 1 . 1 1 68 68 ALA H H 68 16.486 16.486 15.505 0.981 18302 384 1 . 1 1 69 69 LEU N N 69 119.986 119.986 118.949 1.037 18302 385 1 . 1 1 69 69 LEU HA H 69 3.350 3.350 3.910 -0.560 18302 386 1 . 1 1 69 69 LEU C C 69 178.468 178.468 178.284 0.184 18302 387 1 . 1 1 69 69 LEU CA C 69 57.919 57.919 57.779 0.140 18302 388 1 . 1 1 69 69 LEU CB C 69 41.000 41.000 41.283 -0.283 18302 389 1 . 1 1 69 69 LEU H H 69 9.062 9.062 7.676 1.386 18302 390 1 . 1 1 70 70 THR N N 70 114.834 114.834 115.241 -0.407 18302 391 1 . 1 1 70 70 THR HA H 70 4.100 4.100 3.985 0.115 18302 392 1 . 1 1 70 70 THR C C 70 176.391 176.391 176.655 -0.264 18302 393 1 . 1 1 70 70 THR CA C 70 61.833 61.833 66.142 -4.309 18302 394 1 . 1 1 70 70 THR CB C 70 68.267 68.267 69.003 -0.736 18302 395 1 . 1 1 70 70 THR H H 70 7.710 7.710 7.922 -0.212 18302 396 1 . 1 1 71 71 MET N N 71 120.233 120.233 120.778 -0.545 18302 397 1 . 1 1 71 71 MET HA H 71 3.850 3.850 4.012 -0.162 18302 398 1 . 1 1 71 71 MET C C 71 178.145 178.145 177.610 0.535 18302 399 1 . 1 1 71 71 MET CA C 71 58.768 58.768 58.498 0.270 18302 400 1 . 1 1 71 71 MET CB C 71 31.233 31.233 32.250 -1.017 18302 401 1 . 1 1 71 71 MET H H 71 7.034 7.034 8.113 -1.079 18302 402 1 . 1 1 72 72 MET N N 72 118.621 118.621 115.926 2.695 18302 403 1 . 1 1 72 72 MET HA H 72 3.800 3.800 4.362 -0.562 18302 404 1 . 1 1 72 72 MET C C 72 178.930 178.930 176.943 1.987 18302 405 1 . 1 1 72 72 MET CA C 72 56.500 56.500 56.943 -0.443 18302 406 1 . 1 1 72 72 MET CB C 72 32.733 32.733 32.352 0.381 18302 407 1 . 1 1 72 72 MET H H 72 7.839 7.839 7.579 0.261 18302 408 1 . 1 1 73 73 ALA N N 73 120.567 120.567 121.993 -1.426 18302 409 1 . 1 1 73 73 ALA HA H 73 4.135 4.135 4.338 -0.203 18302 410 1 . 1 1 73 73 ALA C C 73 179.332 179.332 178.204 1.128 18302 411 1 . 1 1 73 73 ALA CA C 73 54.080 54.080 52.726 1.354 18302 412 1 . 1 1 73 73 ALA CB C 73 18.453 18.453 18.432 0.021 18302 413 1 . 1 1 73 73 ALA H H 73 8.240 8.240 7.988 0.252 18302 414 1 . 1 1 74 74 ARG N N 74 116.784 116.784 117.882 -1.098 18302 415 1 . 1 1 74 74 ARG HA H 74 4.137 4.137 4.211 -0.074 18302 416 1 . 1 1 74 74 ARG C C 74 177.511 177.511 176.750 0.761 18302 417 1 . 1 1 74 74 ARG CA C 74 57.596 57.596 56.659 0.937 18302 418 1 . 1 1 74 74 ARG CB C 74 30.406 30.406 30.178 0.228 18302 419 1 . 1 1 74 74 ARG H H 74 7.382 7.382 7.831 -0.449 18302 420 1 . 1 1 75 75 LYS N N 75 118.548 118.548 118.875 -0.327 18302 421 1 . 1 1 75 75 LYS HA H 75 4.306 4.306 4.124 0.182 18302 422 1 . 1 1 75 75 LYS C C 75 176.937 176.937 176.398 0.539 18302 423 1 . 1 1 75 75 LYS CA C 75 55.000 55.000 56.900 -1.900 18302 424 1 . 1 1 75 75 LYS CB C 75 32.750 32.750 32.560 0.190 18302 425 1 . 1 1 75 75 LYS H H 75 7.732 7.732 7.763 -0.031 18302 426 1 . 1 1 76 76 MET N N 76 120.367 120.367 119.015 1.352 18302 427 1 . 1 1 76 76 MET HA H 76 4.443 4.443 4.371 0.072 18302 428 1 . 1 1 76 76 MET C C 76 175.539 175.539 176.111 -0.572 18302 429 1 . 1 1 76 76 MET CA C 76 55.500 55.500 56.340 -0.840 18302 430 1 . 1 1 76 76 MET CB C 76 32.733 32.733 32.536 0.197 18302 431 1 . 1 1 76 76 MET H H 76 7.863 7.863 8.236 -0.373 18302 stop_ save_