data_18327 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18327 _Entry.PDB_ID 2LQS 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 18327 _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 13 13 TYR HA H 13 5.560 5.560 4.705 0.855 18327 2 1 1 . 1 1 13 13 TYR CA C 13 55.860 55.860 57.645 -1.784 18327 3 1 1 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.560 0.880 18327 4 1 1 . 1 1 14 14 GLY N N 14 105.400 105.400 107.149 -1.749 18327 5 1 1 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.554 1.686 18327 6 1 1 . 1 1 14 14 GLY H H 14 8.406 8.406 8.529 -0.123 18327 7 1 1 . 1 1 15 15 VAL N N 15 118.900 118.900 120.210 -1.310 18327 8 1 1 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.769 0.561 18327 9 1 1 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.879 -1.669 18327 10 1 1 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.425 -0.685 18327 11 1 1 . 1 1 15 15 VAL H H 15 8.854 8.854 8.560 0.294 18327 12 1 1 . 1 1 16 16 ALA N N 16 129.400 129.400 127.809 1.591 18327 13 1 1 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.079 -0.079 18327 14 1 1 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.735 1.265 18327 15 1 1 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.061 -1.731 18327 16 1 1 . 1 1 16 16 ALA H H 16 9.112 9.112 9.132 -0.020 18327 17 1 1 . 1 1 17 17 PHE N N 17 123.900 123.900 124.023 -0.123 18327 18 1 1 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.763 -0.023 18327 19 1 1 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.392 -1.162 18327 20 1 1 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.514 -0.514 18327 21 1 1 . 1 1 17 17 PHE H H 17 8.785 8.785 8.310 0.475 18327 22 1 1 . 1 1 18 18 TYR N N 18 118.100 118.100 118.592 -0.492 18327 23 1 1 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.506 -0.016 18327 24 1 1 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.719 -2.419 18327 25 1 1 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.094 0.716 18327 26 1 1 . 1 1 18 18 TYR H H 18 7.288 7.288 7.635 -0.347 18327 27 1 1 . 1 1 19 19 ASN N N 19 116.800 116.800 121.193 -4.393 18327 28 1 1 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.764 -0.054 18327 29 1 1 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.139 -0.199 18327 30 1 1 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.206 -0.146 18327 31 1 1 . 1 1 19 19 ASN H H 19 8.122 8.122 8.454 -0.332 18327 32 1 1 . 1 1 20 20 TYR N N 20 122.000 122.000 124.970 -2.970 18327 33 1 1 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.545 0.165 18327 34 1 1 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.970 -0.250 18327 35 1 1 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.670 -0.421 18327 36 1 1 . 1 1 20 20 TYR H H 20 8.994 8.994 8.634 0.360 18327 37 1 1 . 1 1 21 21 ASP N N 21 128.500 128.500 120.306 8.194 18327 38 1 1 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.813 -0.023 18327 39 1 1 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.180 0.190 18327 40 1 1 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.301 -2.171 18327 41 1 1 . 1 1 21 21 ASP H H 21 7.839 7.839 7.787 0.052 18327 42 1 1 . 1 1 22 22 ALA N N 22 125.200 125.200 121.141 4.059 18327 43 1 1 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.509 -0.459 18327 44 1 1 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.644 0.296 18327 45 1 1 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.646 0.804 18327 46 1 1 . 1 1 22 22 ALA H H 22 8.107 8.107 8.482 -0.375 18327 47 1 1 . 1 1 23 23 ARG N N 23 122.200 122.200 120.548 1.652 18327 48 1 1 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.463 -0.113 18327 49 1 1 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.712 -0.221 18327 50 1 1 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.494 -0.794 18327 51 1 1 . 1 1 23 23 ARG H H 23 8.889 8.889 8.610 0.279 18327 52 1 1 . 1 1 24 24 GLY N N 24 105.200 105.200 107.478 -2.278 18327 53 1 1 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.740 -0.241 18327 54 1 1 . 1 1 24 24 GLY H H 24 7.267 7.267 7.612 -0.345 18327 55 1 1 . 1 1 25 25 ALA N N 25 122.200 122.200 121.375 0.825 18327 56 1 1 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.407 -0.247 18327 57 1 1 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.972 0.468 18327 58 1 1 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.185 -0.415 18327 59 1 1 . 1 1 25 25 ALA H H 25 8.621 8.621 8.432 0.189 18327 60 1 1 . 1 1 26 26 ASP N N 26 114.700 114.700 118.054 -3.354 18327 61 1 1 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.726 -0.026 18327 62 1 1 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.500 0.370 18327 63 1 1 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.808 -0.418 18327 64 1 1 . 1 1 26 26 ASP H H 26 8.949 8.949 8.396 0.553 18327 65 1 1 . 1 1 27 27 GLU N N 27 118.800 118.800 120.453 -1.653 18327 66 1 1 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.596 0.624 18327 67 1 1 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.756 -0.826 18327 68 1 1 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.870 1.010 18327 69 1 1 . 1 1 27 27 GLU H H 27 7.542 7.542 7.521 0.021 18327 70 1 1 . 1 1 28 28 LEU N N 28 121.400 121.400 119.292 2.108 18327 71 1 1 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.761 -0.001 18327 72 1 1 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.132 -1.012 18327 73 1 1 . 1 1 28 28 LEU CB C 28 44.500 44.500 46.169 -1.669 18327 74 1 1 . 1 1 28 28 LEU H H 28 8.897 8.897 8.260 0.637 18327 75 1 1 . 1 1 29 29 SER N N 29 115.700 115.700 117.849 -2.149 18327 76 1 1 . 1 1 29 29 SER HA H 29 5.030 5.030 5.184 -0.154 18327 77 1 1 . 1 1 29 29 SER CA C 29 58.470 58.470 58.703 -0.233 18327 78 1 1 . 1 1 29 29 SER CB C 29 63.690 63.690 64.251 -0.561 18327 79 1 1 . 1 1 29 29 SER H H 29 7.949 7.949 8.370 -0.421 18327 80 1 1 . 1 1 30 30 LEU N N 30 121.300 121.300 120.349 0.951 18327 81 1 1 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.556 0.244 18327 82 1 1 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.482 -2.542 18327 83 1 1 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.145 0.225 18327 84 1 1 . 1 1 30 30 LEU H H 30 9.503 9.503 8.570 0.933 18327 85 1 1 . 1 1 31 31 GLN N N 31 123.100 123.100 120.565 2.535 18327 86 1 1 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.619 0.451 18327 87 1 1 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.906 -0.966 18327 88 1 1 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.043 -0.853 18327 89 1 1 . 1 1 31 31 GLN H H 31 9.152 9.152 8.279 0.873 18327 90 1 1 . 1 1 32 32 ILE N N 32 120.800 120.800 120.379 0.421 18327 91 1 1 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.858 -0.828 18327 92 1 1 . 1 1 32 32 ILE CA C 32 64.250 64.250 61.721 2.529 18327 93 1 1 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.362 0.578 18327 94 1 1 . 1 1 32 32 ILE H H 32 8.019 8.019 8.419 -0.400 18327 95 1 1 . 1 1 33 33 GLY N N 33 115.700 115.700 113.874 1.826 18327 96 1 1 . 1 1 33 33 GLY CA C 33 44.500 44.500 45.050 -0.550 18327 97 1 1 . 1 1 33 33 GLY H H 33 8.777 8.777 8.666 0.111 18327 98 1 1 . 1 1 34 34 ASP N N 34 122.300 122.300 121.364 0.936 18327 99 1 1 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.983 -0.343 18327 100 1 1 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.655 2.205 18327 101 1 1 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.450 -1.140 18327 102 1 1 . 1 1 34 34 ASP H H 34 8.690 8.690 7.573 1.117 18327 103 1 1 . 1 1 35 35 THR N N 35 117.900 117.900 116.281 1.619 18327 104 1 1 . 1 1 35 35 THR HA H 35 5.160 5.160 5.091 0.069 18327 105 1 1 . 1 1 35 35 THR CA C 35 61.450 61.450 61.581 -0.131 18327 106 1 1 . 1 1 35 35 THR CB C 35 69.090 69.090 70.932 -1.842 18327 107 1 1 . 1 1 35 35 THR H H 35 8.389 8.389 8.387 0.002 18327 108 1 1 . 1 1 36 36 VAL N N 36 118.200 118.200 116.761 1.439 18327 109 1 1 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.855 0.245 18327 110 1 1 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.873 -1.963 18327 111 1 1 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.628 -0.438 18327 112 1 1 . 1 1 36 36 VAL H H 36 9.019 9.019 9.003 0.016 18327 113 1 1 . 1 1 37 37 HIS N N 37 122.100 122.100 119.769 2.331 18327 114 1 1 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.567 0.273 18327 115 1 1 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.037 -1.477 18327 116 1 1 . 1 1 37 37 HIS CB C 37 31.260 31.260 32.420 -1.160 18327 117 1 1 . 1 1 37 37 HIS H H 37 8.489 8.489 8.001 0.488 18327 118 1 1 . 1 1 38 38 ILE N N 38 126.400 126.400 124.462 1.938 18327 119 1 1 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.311 -0.531 18327 120 1 1 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.320 0.320 18327 121 1 1 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.942 -0.062 18327 122 1 1 . 1 1 38 38 ILE H H 38 8.636 8.636 8.404 0.232 18327 123 1 1 . 1 1 39 39 LEU N N 39 126.000 126.000 121.915 4.085 18327 124 1 1 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.735 -0.335 18327 125 1 1 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.358 0.132 18327 126 1 1 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.898 -1.148 18327 127 1 1 . 1 1 39 39 LEU H H 39 9.162 9.162 8.579 0.583 18327 128 1 1 . 1 1 40 40 GLU N N 40 115.100 115.100 117.513 -2.413 18327 129 1 1 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.803 3.092 18327 130 1 1 . 1 1 41 41 THR N N 41 116.400 116.400 108.013 8.387 18327 131 1 1 . 1 1 41 41 THR HA H 41 4.270 4.270 4.672 -0.402 18327 132 1 1 . 1 1 41 41 THR CA C 41 60.890 60.890 60.593 0.297 18327 133 1 1 . 1 1 41 41 THR CB C 41 69.650 69.650 71.545 -1.895 18327 134 1 1 . 1 1 41 41 THR H H 41 8.162 8.162 8.340 -0.178 18327 135 1 1 . 1 1 43 43 GLU N N 43 123.300 123.300 121.371 1.929 18327 136 1 1 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.388 -0.118 18327 137 1 1 . 1 1 43 43 GLU CA C 43 57.350 57.350 54.860 2.490 18327 138 1 1 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.454 -2.664 18327 139 1 1 . 1 1 43 43 GLU H H 43 8.108 8.108 8.391 -0.283 18327 140 1 1 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.200 0.240 18327 141 1 1 . 1 1 45 45 TRP N N 45 124.100 124.100 119.364 4.736 18327 142 1 1 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.513 0.177 18327 143 1 1 . 1 1 45 45 TRP H H 45 8.590 8.590 7.214 1.376 18327 144 1 1 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.514 1.086 18327 145 1 1 . 1 1 46 46 TYR CA C 46 54.060 54.060 56.882 -2.822 18327 146 1 1 . 1 1 46 46 TYR CB C 46 42.060 42.060 39.607 2.453 18327 147 1 1 . 1 1 47 47 ARG N N 47 118.100 118.100 122.384 -4.284 18327 148 1 1 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.498 0.572 18327 149 1 1 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.266 -0.206 18327 150 1 1 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.471 -1.221 18327 151 1 1 . 1 1 47 47 ARG H H 47 8.495 8.495 8.928 -0.433 18327 152 1 1 . 1 1 48 48 GLY N N 48 114.000 114.000 112.039 1.961 18327 153 1 1 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.286 0.274 18327 154 1 1 . 1 1 48 48 GLY H H 48 9.183 9.183 8.838 0.345 18327 155 1 1 . 1 1 49 49 TYR N N 49 116.200 116.200 117.182 -0.982 18327 156 1 1 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.096 0.284 18327 157 1 1 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.904 -1.794 18327 158 1 1 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.897 0.853 18327 159 1 1 . 1 1 49 49 TYR H H 49 8.199 8.199 8.314 -0.115 18327 160 1 1 . 1 1 50 50 THR N N 50 112.200 112.200 112.313 -0.113 18327 161 1 1 . 1 1 50 50 THR HA H 50 5.120 5.120 4.127 0.993 18327 162 1 1 . 1 1 50 50 THR CA C 50 59.770 59.770 61.378 -1.608 18327 163 1 1 . 1 1 50 50 THR CB C 50 69.460 69.460 69.893 -0.433 18327 164 1 1 . 1 1 50 50 THR H H 50 9.436 9.436 8.630 0.806 18327 165 1 1 . 1 1 51 51 LEU N N 51 121.300 121.300 119.398 1.902 18327 166 1 1 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.390 -0.160 18327 167 1 1 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.297 0.493 18327 168 1 1 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.174 -2.174 18327 169 1 1 . 1 1 51 51 LEU H H 51 8.313 8.313 8.029 0.284 18327 170 1 1 . 1 1 52 52 ARG N N 52 116.600 116.600 117.881 -1.281 18327 171 1 1 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.147 0.103 18327 172 1 1 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.097 0.253 18327 173 1 1 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.485 0.025 18327 174 1 1 . 1 1 52 52 ARG H H 52 8.053 8.053 8.286 -0.233 18327 175 1 1 . 1 1 53 53 LYS N N 53 122.600 122.600 118.345 4.255 18327 176 1 1 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.505 0.115 18327 177 1 1 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.727 -1.107 18327 178 1 1 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.818 -1.508 18327 179 1 1 . 1 1 53 53 LYS H H 53 7.655 7.655 7.472 0.183 18327 180 1 1 . 1 1 54 54 LYS N N 54 124.900 124.900 124.931 -0.031 18327 181 1 1 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.203 -0.113 18327 182 1 1 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.877 -0.407 18327 183 1 1 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.952 -0.822 18327 184 1 1 . 1 1 54 54 LYS H H 54 8.499 8.499 8.723 -0.224 18327 185 1 1 . 1 1 55 55 SER N N 55 110.100 110.100 112.979 -2.879 18327 186 1 1 . 1 1 55 55 SER HA H 55 4.140 4.140 4.313 -0.173 18327 187 1 1 . 1 1 55 55 SER CA C 55 58.470 58.470 59.791 -1.321 18327 188 1 1 . 1 1 55 55 SER CB C 55 63.310 63.310 63.118 0.192 18327 189 1 1 . 1 1 55 55 SER H H 55 7.862 7.862 7.940 -0.078 18327 190 1 1 . 1 1 56 56 LYS N N 56 124.000 124.000 122.949 1.051 18327 191 1 1 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.442 0.258 18327 192 1 1 . 1 1 56 56 LYS CA C 56 54.810 54.810 54.636 0.174 18327 193 1 1 . 1 1 56 56 LYS CB C 56 33.250 33.250 31.318 1.932 18327 194 1 1 . 1 1 56 56 LYS H H 56 7.481 7.481 8.015 -0.534 18327 195 1 1 . 1 1 57 57 LYS N N 57 125.700 125.700 121.044 4.656 18327 196 1 1 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.324 1.006 18327 197 1 1 . 1 1 57 57 LYS CA C 57 54.620 54.620 56.662 -2.042 18327 198 1 1 . 1 1 57 57 LYS CB C 57 34.240 34.240 33.570 0.670 18327 199 1 1 . 1 1 57 57 LYS H H 57 8.475 8.475 7.588 0.887 18327 200 1 1 . 1 1 58 58 GLY N N 58 109.400 109.400 107.040 2.360 18327 201 1 1 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.443 0.177 18327 202 1 1 . 1 1 58 58 GLY H H 58 9.073 9.073 8.745 0.328 18327 203 1 1 . 1 1 59 59 ILE N N 59 113.900 113.900 119.651 -5.751 18327 204 1 1 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.761 1.239 18327 205 1 1 . 1 1 59 59 ILE CA C 59 59.590 59.590 60.486 -0.896 18327 206 1 1 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.065 -0.925 18327 207 1 1 . 1 1 59 59 ILE H H 59 8.628 8.628 8.367 0.261 18327 208 1 1 . 1 1 60 60 PHE N N 60 116.900 116.900 116.068 0.832 18327 209 1 1 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.166 -0.046 18327 210 1 1 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.909 -0.849 18327 211 1 1 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.663 -3.473 18327 212 1 1 . 1 1 60 60 PHE H H 60 8.724 8.724 8.669 0.055 18327 213 1 1 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.605 -0.125 18327 214 1 1 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.460 -0.260 18327 215 1 1 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.777 -0.587 18327 216 1 1 . 1 1 62 62 ALA N N 62 124.600 124.600 128.609 -4.009 18327 217 1 1 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.072 -0.352 18327 218 1 1 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.827 -0.457 18327 219 1 1 . 1 1 62 62 ALA CB C 62 17.650 17.650 17.689 -0.039 18327 220 1 1 . 1 1 62 62 ALA H H 62 7.898 7.898 8.290 -0.392 18327 221 1 1 . 1 1 63 63 SER N N 63 109.700 109.700 111.957 -2.257 18327 222 1 1 . 1 1 63 63 SER HA H 63 4.200 4.200 4.073 0.127 18327 223 1 1 . 1 1 63 63 SER CA C 63 59.400 59.400 60.086 -0.686 18327 224 1 1 . 1 1 63 63 SER CB C 63 62.380 62.380 62.806 -0.426 18327 225 1 1 . 1 1 63 63 SER H H 63 8.030 8.030 7.985 0.045 18327 226 1 1 . 1 1 64 64 TYR N N 64 120.300 120.300 117.865 2.435 18327 227 1 1 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.739 -0.479 18327 228 1 1 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.908 0.812 18327 229 1 1 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.536 0.024 18327 230 1 1 . 1 1 64 64 TYR H H 64 7.124 7.124 7.114 0.010 18327 231 1 1 . 1 1 65 65 ILE N N 65 118.000 118.000 118.353 -0.353 18327 232 1 1 . 1 1 65 65 ILE HA H 65 4.830 4.830 5.312 -0.482 18327 233 1 1 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.048 -2.068 18327 234 1 1 . 1 1 65 65 ILE CB C 65 39.630 39.630 42.676 -3.046 18327 235 1 1 . 1 1 65 65 ILE H H 65 7.671 7.671 7.665 0.006 18327 236 1 1 . 1 1 66 66 HIS N N 66 124.500 124.500 121.589 2.911 18327 237 1 1 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.824 0.306 18327 238 1 1 . 1 1 66 66 HIS CA C 66 53.060 53.060 55.093 -2.033 18327 239 1 1 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.798 -3.288 18327 240 1 1 . 1 1 66 66 HIS H H 66 9.159 9.159 9.131 0.028 18327 241 1 1 . 1 1 67 67 LEU N N 67 127.400 127.400 125.556 1.844 18327 242 1 1 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.637 -0.077 18327 243 1 1 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.559 -0.259 18327 244 1 1 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.250 -0.190 18327 245 1 1 . 1 1 67 67 LEU H H 67 8.979 8.979 8.430 0.549 18327 246 1 1 . 1 1 68 68 LYS N N 68 121.900 121.900 120.587 1.313 18327 247 1 1 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.539 -0.049 18327 248 1 1 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.385 -0.275 18327 249 1 1 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.011 0.599 18327 250 1 1 . 1 1 68 68 LYS H H 68 8.499 8.499 8.868 -0.369 18327 251 1 1 . 1 1 69 69 GLU N N 69 122.100 122.100 116.482 5.618 18327 252 1 1 . 1 1 69 69 GLU HA H 69 4.290 4.290 3.997 0.293 18327 253 1 1 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.513 -0.903 18327 254 1 1 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.949 0.381 18327 255 1 1 . 1 1 69 69 GLU H H 69 8.569 8.569 8.183 0.386 18327 256 1 1 . 1 1 70 70 ALA N N 70 123.300 123.300 123.695 -0.395 18327 257 1 1 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.674 -0.464 18327 258 1 1 . 1 1 70 70 ALA CA C 70 51.810 51.810 51.396 0.414 18327 259 1 1 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.069 0.631 18327 260 1 1 . 1 1 70 70 ALA H H 70 8.181 8.181 8.317 -0.136 18327 261 1 1 . 1 1 71 71 ILE N N 71 120.000 120.000 122.799 -2.799 18327 262 1 1 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.101 -0.031 18327 263 1 1 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.034 -0.704 18327 264 1 1 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.461 0.229 18327 265 1 1 . 1 1 71 71 ILE H H 71 7.789 7.789 7.372 0.417 18327 266 1 1 . 1 1 72 72 VAL N N 72 124.400 124.400 122.994 1.406 18327 267 1 1 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.240 -0.170 18327 268 1 1 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.801 -0.161 18327 269 1 1 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.568 0.122 18327 270 1 1 . 1 1 72 72 VAL H H 72 8.089 8.089 7.876 0.213 18327 271 1 1 . 1 1 73 73 GLU N N 73 125.940 125.940 122.367 3.573 18327 272 1 1 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.507 -0.207 18327 273 1 1 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.636 0.974 18327 274 1 1 . 1 1 73 73 GLU CB C 73 30.710 30.710 31.459 -0.749 18327 275 1 1 . 1 1 73 73 GLU H H 73 8.464 8.464 8.303 0.161 18327 276 1 2 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.761 0.799 18327 277 1 2 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.423 -0.563 18327 278 1 2 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.127 1.313 18327 279 1 2 . 1 1 14 14 GLY N N 14 105.400 105.400 106.191 -0.791 18327 280 1 2 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.819 1.421 18327 281 1 2 . 1 1 14 14 GLY H H 14 8.406 8.406 8.541 -0.135 18327 282 1 2 . 1 1 15 15 VAL N N 15 118.900 118.900 121.135 -2.235 18327 283 1 2 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.929 0.401 18327 284 1 2 . 1 1 15 15 VAL CA C 15 59.210 59.210 59.116 0.094 18327 285 1 2 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.510 0.230 18327 286 1 2 . 1 1 15 15 VAL H H 15 8.854 8.854 8.781 0.073 18327 287 1 2 . 1 1 16 16 ALA N N 16 129.400 129.400 128.076 1.324 18327 288 1 2 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.836 0.164 18327 289 1 2 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.882 1.118 18327 290 1 2 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.096 -0.766 18327 291 1 2 . 1 1 16 16 ALA H H 16 9.112 9.112 9.052 0.060 18327 292 1 2 . 1 1 17 17 PHE N N 17 123.900 123.900 125.586 -1.686 18327 293 1 2 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.699 0.041 18327 294 1 2 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.984 -0.754 18327 295 1 2 . 1 1 17 17 PHE CB C 17 40.000 40.000 39.790 0.210 18327 296 1 2 . 1 1 17 17 PHE H H 17 8.785 8.785 8.016 0.769 18327 297 1 2 . 1 1 18 18 TYR N N 18 118.100 118.100 118.048 0.052 18327 298 1 2 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.351 0.139 18327 299 1 2 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.809 -2.509 18327 300 1 2 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.401 0.409 18327 301 1 2 . 1 1 18 18 TYR H H 18 7.288 7.288 7.565 -0.277 18327 302 1 2 . 1 1 19 19 ASN N N 19 116.800 116.800 119.509 -2.709 18327 303 1 2 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.726 -0.016 18327 304 1 2 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.234 -0.294 18327 305 1 2 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.345 -0.285 18327 306 1 2 . 1 1 19 19 ASN H H 19 8.122 8.122 8.559 -0.437 18327 307 1 2 . 1 1 20 20 TYR N N 20 122.000 122.000 122.123 -0.123 18327 308 1 2 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.720 -0.010 18327 309 1 2 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.859 -0.139 18327 310 1 2 . 1 1 20 20 TYR CB C 20 42.250 42.250 43.020 -0.770 18327 311 1 2 . 1 1 20 20 TYR H H 20 8.994 8.994 8.428 0.566 18327 312 1 2 . 1 1 21 21 ASP N N 21 128.500 128.500 121.719 6.781 18327 313 1 2 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.924 -0.134 18327 314 1 2 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.876 0.494 18327 315 1 2 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.823 -2.693 18327 316 1 2 . 1 1 21 21 ASP H H 21 7.839 7.839 7.767 0.072 18327 317 1 2 . 1 1 22 22 ALA N N 22 125.200 125.200 124.861 0.339 18327 318 1 2 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.370 -0.320 18327 319 1 2 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.123 -0.183 18327 320 1 2 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.435 1.015 18327 321 1 2 . 1 1 22 22 ALA H H 22 8.107 8.107 8.205 -0.098 18327 322 1 2 . 1 1 23 23 ARG N N 23 122.200 122.200 121.668 0.532 18327 323 1 2 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.162 0.188 18327 324 1 2 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.324 -1.834 18327 325 1 2 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.853 -0.153 18327 326 1 2 . 1 1 23 23 ARG H H 23 8.889 8.889 8.761 0.128 18327 327 1 2 . 1 1 24 24 GLY N N 24 105.200 105.200 104.409 0.791 18327 328 1 2 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.654 -0.154 18327 329 1 2 . 1 1 24 24 GLY H H 24 7.267 7.267 7.605 -0.338 18327 330 1 2 . 1 1 25 25 ALA N N 25 122.200 122.200 121.157 1.043 18327 331 1 2 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.258 -0.098 18327 332 1 2 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.954 0.486 18327 333 1 2 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.155 -0.385 18327 334 1 2 . 1 1 25 25 ALA H H 25 8.621 8.621 8.294 0.327 18327 335 1 2 . 1 1 26 26 ASP N N 26 114.700 114.700 118.575 -3.875 18327 336 1 2 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.708 -0.008 18327 337 1 2 . 1 1 26 26 ASP CA C 26 53.870 53.870 54.176 -0.306 18327 338 1 2 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.825 -0.435 18327 339 1 2 . 1 1 26 26 ASP H H 26 8.949 8.949 8.456 0.493 18327 340 1 2 . 1 1 27 27 GLU N N 27 118.800 118.800 118.333 0.467 18327 341 1 2 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.881 0.339 18327 342 1 2 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.595 0.335 18327 343 1 2 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.484 0.396 18327 344 1 2 . 1 1 27 27 GLU H H 27 7.542 7.542 7.639 -0.097 18327 345 1 2 . 1 1 28 28 LEU N N 28 121.400 121.400 121.040 0.360 18327 346 1 2 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.734 0.026 18327 347 1 2 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.346 -1.226 18327 348 1 2 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.422 -0.922 18327 349 1 2 . 1 1 28 28 LEU H H 28 8.897 8.897 8.244 0.653 18327 350 1 2 . 1 1 29 29 SER N N 29 115.700 115.700 119.392 -3.692 18327 351 1 2 . 1 1 29 29 SER HA H 29 5.030 5.030 4.710 0.320 18327 352 1 2 . 1 1 29 29 SER CA C 29 58.470 58.470 59.227 -0.757 18327 353 1 2 . 1 1 29 29 SER CB C 29 63.690 63.690 63.887 -0.197 18327 354 1 2 . 1 1 29 29 SER H H 29 7.949 7.949 8.514 -0.565 18327 355 1 2 . 1 1 30 30 LEU N N 30 121.300 121.300 120.376 0.924 18327 356 1 2 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.787 0.013 18327 357 1 2 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.014 -2.074 18327 358 1 2 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.514 0.856 18327 359 1 2 . 1 1 30 30 LEU H H 30 9.503 9.503 8.593 0.910 18327 360 1 2 . 1 1 31 31 GLN N N 31 123.100 123.100 121.459 1.641 18327 361 1 2 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.793 0.277 18327 362 1 2 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.544 -1.604 18327 363 1 2 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.554 -1.364 18327 364 1 2 . 1 1 31 31 GLN H H 31 9.152 9.152 8.389 0.763 18327 365 1 2 . 1 1 32 32 ILE N N 32 120.800 120.800 120.689 0.111 18327 366 1 2 . 1 1 32 32 ILE HA H 32 3.030 3.030 4.011 -0.981 18327 367 1 2 . 1 1 32 32 ILE CA C 32 64.250 64.250 61.672 2.578 18327 368 1 2 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.710 0.230 18327 369 1 2 . 1 1 32 32 ILE H H 32 8.019 8.019 8.388 -0.369 18327 370 1 2 . 1 1 33 33 GLY N N 33 115.700 115.700 114.090 1.610 18327 371 1 2 . 1 1 33 33 GLY CA C 33 44.500 44.500 45.061 -0.561 18327 372 1 2 . 1 1 33 33 GLY H H 33 8.777 8.777 8.830 -0.053 18327 373 1 2 . 1 1 34 34 ASP N N 34 122.300 122.300 120.062 2.238 18327 374 1 2 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.947 -0.307 18327 375 1 2 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.316 2.544 18327 376 1 2 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.876 -1.566 18327 377 1 2 . 1 1 34 34 ASP H H 34 8.690 8.690 7.577 1.113 18327 378 1 2 . 1 1 35 35 THR N N 35 117.900 117.900 114.843 3.057 18327 379 1 2 . 1 1 35 35 THR HA H 35 5.160 5.160 5.301 -0.141 18327 380 1 2 . 1 1 35 35 THR CA C 35 61.450 61.450 61.394 0.056 18327 381 1 2 . 1 1 35 35 THR CB C 35 69.090 69.090 70.618 -1.528 18327 382 1 2 . 1 1 35 35 THR H H 35 8.389 8.389 8.249 0.140 18327 383 1 2 . 1 1 36 36 VAL N N 36 118.200 118.200 117.450 0.750 18327 384 1 2 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.262 0.838 18327 385 1 2 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.594 -2.684 18327 386 1 2 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.781 -0.591 18327 387 1 2 . 1 1 36 36 VAL H H 36 9.019 9.019 8.997 0.022 18327 388 1 2 . 1 1 37 37 HIS N N 37 122.100 122.100 118.173 3.927 18327 389 1 2 . 1 1 37 37 HIS HA H 37 4.840 4.840 5.019 -0.179 18327 390 1 2 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.753 -2.193 18327 391 1 2 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.765 -2.505 18327 392 1 2 . 1 1 37 37 HIS H H 37 8.489 8.489 8.531 -0.042 18327 393 1 2 . 1 1 38 38 ILE N N 38 126.400 126.400 124.980 1.420 18327 394 1 2 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.538 -0.758 18327 395 1 2 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.648 0.992 18327 396 1 2 . 1 1 38 38 ILE CB C 38 38.880 38.880 39.640 -0.760 18327 397 1 2 . 1 1 38 38 ILE H H 38 8.636 8.636 8.158 0.478 18327 398 1 2 . 1 1 39 39 LEU N N 39 126.000 126.000 124.835 1.165 18327 399 1 2 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.802 -0.402 18327 400 1 2 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.031 0.459 18327 401 1 2 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.168 -0.418 18327 402 1 2 . 1 1 39 39 LEU H H 39 9.162 9.162 9.050 0.112 18327 403 1 2 . 1 1 40 40 GLU N N 40 115.100 115.100 117.447 -2.347 18327 404 1 2 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.706 3.189 18327 405 1 2 . 1 1 41 41 THR N N 41 116.400 116.400 112.891 3.509 18327 406 1 2 . 1 1 41 41 THR HA H 41 4.270 4.270 4.673 -0.403 18327 407 1 2 . 1 1 41 41 THR CA C 41 60.890 60.890 60.961 -0.071 18327 408 1 2 . 1 1 41 41 THR CB C 41 69.650 69.650 69.742 -0.091 18327 409 1 2 . 1 1 41 41 THR H H 41 8.162 8.162 8.463 -0.301 18327 410 1 2 . 1 1 43 43 GLU N N 43 123.300 123.300 120.284 3.016 18327 411 1 2 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.224 0.046 18327 412 1 2 . 1 1 43 43 GLU CA C 43 57.350 57.350 56.389 0.961 18327 413 1 2 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.856 -3.066 18327 414 1 2 . 1 1 43 43 GLU H H 43 8.108 8.108 8.392 -0.284 18327 415 1 2 . 1 1 44 44 GLY CA C 44 45.440 45.440 44.799 0.641 18327 416 1 2 . 1 1 45 45 TRP N N 45 124.100 124.100 119.784 4.316 18327 417 1 2 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.715 -0.025 18327 418 1 2 . 1 1 45 45 TRP H H 45 8.590 8.590 7.255 1.335 18327 419 1 2 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.639 0.961 18327 420 1 2 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.407 -3.347 18327 421 1 2 . 1 1 46 46 TYR CB C 46 42.060 42.060 41.746 0.314 18327 422 1 2 . 1 1 47 47 ARG N N 47 118.100 118.100 122.345 -4.245 18327 423 1 2 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.698 0.372 18327 424 1 2 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.159 -0.099 18327 425 1 2 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.585 -1.335 18327 426 1 2 . 1 1 47 47 ARG H H 47 8.495 8.495 8.977 -0.482 18327 427 1 2 . 1 1 48 48 GLY N N 48 114.000 114.000 111.853 2.147 18327 428 1 2 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.218 0.343 18327 429 1 2 . 1 1 48 48 GLY H H 48 9.183 9.183 8.795 0.388 18327 430 1 2 . 1 1 49 49 TYR N N 49 116.200 116.200 117.827 -1.627 18327 431 1 2 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.367 0.013 18327 432 1 2 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.430 -1.320 18327 433 1 2 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.090 0.660 18327 434 1 2 . 1 1 49 49 TYR H H 49 8.199 8.199 8.572 -0.373 18327 435 1 2 . 1 1 50 50 THR N N 50 112.200 112.200 111.924 0.276 18327 436 1 2 . 1 1 50 50 THR HA H 50 5.120 5.120 4.159 0.961 18327 437 1 2 . 1 1 50 50 THR CA C 50 59.770 59.770 60.862 -1.092 18327 438 1 2 . 1 1 50 50 THR CB C 50 69.460 69.460 69.457 0.003 18327 439 1 2 . 1 1 50 50 THR H H 50 9.436 9.436 8.556 0.880 18327 440 1 2 . 1 1 51 51 LEU N N 51 121.300 121.300 120.548 0.752 18327 441 1 2 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.209 0.021 18327 442 1 2 . 1 1 51 51 LEU CA C 51 56.790 56.790 54.218 2.572 18327 443 1 2 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.440 -1.440 18327 444 1 2 . 1 1 51 51 LEU H H 51 8.313 8.313 8.118 0.195 18327 445 1 2 . 1 1 52 52 ARG N N 52 116.600 116.600 118.223 -1.623 18327 446 1 2 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.363 -0.113 18327 447 1 2 . 1 1 52 52 ARG CA C 52 57.350 57.350 56.535 0.815 18327 448 1 2 . 1 1 52 52 ARG CB C 52 30.510 30.510 31.181 -0.671 18327 449 1 2 . 1 1 52 52 ARG H H 52 8.053 8.053 8.076 -0.023 18327 450 1 2 . 1 1 53 53 LYS N N 53 122.600 122.600 118.863 3.737 18327 451 1 2 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.526 0.094 18327 452 1 2 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.770 -1.150 18327 453 1 2 . 1 1 53 53 LYS CB C 53 32.310 32.310 34.444 -2.134 18327 454 1 2 . 1 1 53 53 LYS H H 53 7.655 7.655 7.818 -0.163 18327 455 1 2 . 1 1 54 54 LYS N N 54 124.900 124.900 123.282 1.618 18327 456 1 2 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.313 -0.223 18327 457 1 2 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.368 0.102 18327 458 1 2 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.767 -0.637 18327 459 1 2 . 1 1 54 54 LYS H H 54 8.499 8.499 8.739 -0.240 18327 460 1 2 . 1 1 55 55 SER N N 55 110.100 110.100 114.519 -4.419 18327 461 1 2 . 1 1 55 55 SER HA H 55 4.140 4.140 4.325 -0.185 18327 462 1 2 . 1 1 55 55 SER CA C 55 58.470 58.470 59.950 -1.480 18327 463 1 2 . 1 1 55 55 SER CB C 55 63.310 63.310 63.215 0.095 18327 464 1 2 . 1 1 55 55 SER H H 55 7.862 7.862 7.966 -0.104 18327 465 1 2 . 1 1 56 56 LYS N N 56 124.000 124.000 123.898 0.102 18327 466 1 2 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.260 0.440 18327 467 1 2 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.209 -1.399 18327 468 1 2 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.301 0.949 18327 469 1 2 . 1 1 56 56 LYS H H 56 7.481 7.481 8.231 -0.750 18327 470 1 2 . 1 1 57 57 LYS N N 57 125.700 125.700 122.941 2.759 18327 471 1 2 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.694 0.636 18327 472 1 2 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.016 -0.396 18327 473 1 2 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.408 -2.168 18327 474 1 2 . 1 1 57 57 LYS H H 57 8.475 8.475 7.917 0.558 18327 475 1 2 . 1 1 58 58 GLY N N 58 109.400 109.400 107.361 2.039 18327 476 1 2 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.862 -0.242 18327 477 1 2 . 1 1 58 58 GLY H H 58 9.073 9.073 8.784 0.289 18327 478 1 2 . 1 1 59 59 ILE N N 59 113.900 113.900 119.374 -5.474 18327 479 1 2 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.878 1.122 18327 480 1 2 . 1 1 59 59 ILE CA C 59 59.590 59.590 60.347 -0.757 18327 481 1 2 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.948 -0.808 18327 482 1 2 . 1 1 59 59 ILE H H 59 8.628 8.628 8.310 0.318 18327 483 1 2 . 1 1 60 60 PHE N N 60 116.900 116.900 117.077 -0.177 18327 484 1 2 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.088 0.032 18327 485 1 2 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.324 -1.264 18327 486 1 2 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.640 -3.450 18327 487 1 2 . 1 1 60 60 PHE H H 60 8.724 8.724 8.850 -0.126 18327 488 1 2 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.929 -0.449 18327 489 1 2 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.072 0.128 18327 490 1 2 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.417 -0.227 18327 491 1 2 . 1 1 62 62 ALA N N 62 124.600 124.600 128.065 -3.465 18327 492 1 2 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.399 -0.679 18327 493 1 2 . 1 1 62 62 ALA CA C 62 54.370 54.370 55.068 -0.698 18327 494 1 2 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.506 -0.856 18327 495 1 2 . 1 1 62 62 ALA H H 62 7.898 7.898 8.314 -0.416 18327 496 1 2 . 1 1 63 63 SER N N 63 109.700 109.700 112.943 -3.243 18327 497 1 2 . 1 1 63 63 SER HA H 63 4.200 4.200 4.153 0.047 18327 498 1 2 . 1 1 63 63 SER CA C 63 59.400 59.400 60.650 -1.250 18327 499 1 2 . 1 1 63 63 SER CB C 63 62.380 62.380 62.909 -0.529 18327 500 1 2 . 1 1 63 63 SER H H 63 8.030 8.030 7.932 0.098 18327 501 1 2 . 1 1 64 64 TYR N N 64 120.300 120.300 116.842 3.458 18327 502 1 2 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.613 -0.353 18327 503 1 2 . 1 1 64 64 TYR CA C 64 57.720 57.720 55.847 1.873 18327 504 1 2 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.385 0.175 18327 505 1 2 . 1 1 64 64 TYR H H 64 7.124 7.124 7.345 -0.221 18327 506 1 2 . 1 1 65 65 ILE N N 65 118.000 118.000 118.758 -0.758 18327 507 1 2 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.854 -0.024 18327 508 1 2 . 1 1 65 65 ILE CA C 65 56.980 56.980 58.839 -1.859 18327 509 1 2 . 1 1 65 65 ILE CB C 65 39.630 39.630 42.451 -2.821 18327 510 1 2 . 1 1 65 65 ILE H H 65 7.671 7.671 7.664 0.007 18327 511 1 2 . 1 1 66 66 HIS N N 66 124.500 124.500 121.136 3.364 18327 512 1 2 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.980 0.150 18327 513 1 2 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.393 -1.333 18327 514 1 2 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.465 -1.955 18327 515 1 2 . 1 1 66 66 HIS H H 66 9.159 9.159 8.873 0.286 18327 516 1 2 . 1 1 67 67 LEU N N 67 127.400 127.400 127.991 -0.591 18327 517 1 2 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.975 -0.415 18327 518 1 2 . 1 1 67 67 LEU CA C 67 55.300 55.300 54.599 0.701 18327 519 1 2 . 1 1 67 67 LEU CB C 67 42.060 42.060 43.813 -1.754 18327 520 1 2 . 1 1 67 67 LEU H H 67 8.979 8.979 8.865 0.114 18327 521 1 2 . 1 1 68 68 LYS N N 68 121.900 121.900 124.318 -2.418 18327 522 1 2 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.463 0.027 18327 523 1 2 . 1 1 68 68 LYS CA C 68 55.110 55.110 54.925 0.185 18327 524 1 2 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.489 0.121 18327 525 1 2 . 1 1 68 68 LYS H H 68 8.499 8.499 9.057 -0.558 18327 526 1 2 . 1 1 69 69 GLU N N 69 122.100 122.100 124.924 -2.824 18327 527 1 2 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.005 0.285 18327 528 1 2 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.338 -0.728 18327 529 1 2 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.856 0.474 18327 530 1 2 . 1 1 69 69 GLU H H 69 8.569 8.569 8.556 0.013 18327 531 1 2 . 1 1 70 70 ALA N N 70 123.300 123.300 125.851 -2.551 18327 532 1 2 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.296 -0.086 18327 533 1 2 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.591 -0.781 18327 534 1 2 . 1 1 70 70 ALA CB C 70 19.700 19.700 17.876 1.824 18327 535 1 2 . 1 1 70 70 ALA H H 70 8.181 8.181 8.466 -0.285 18327 536 1 2 . 1 1 71 71 ILE N N 71 120.000 120.000 120.487 -0.487 18327 537 1 2 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.243 -0.173 18327 538 1 2 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.054 -0.724 18327 539 1 2 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.801 -0.111 18327 540 1 2 . 1 1 71 71 ILE H H 71 7.789 7.789 8.006 -0.217 18327 541 1 2 . 1 1 72 72 VAL N N 72 124.400 124.400 120.757 3.643 18327 542 1 2 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.293 -0.223 18327 543 1 2 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.709 -0.069 18327 544 1 2 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.798 -0.108 18327 545 1 2 . 1 1 72 72 VAL H H 72 8.089 8.089 8.056 0.033 18327 546 1 2 . 1 1 73 73 GLU N N 73 125.940 125.940 123.157 2.783 18327 547 1 2 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.502 -0.202 18327 548 1 2 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.836 0.774 18327 549 1 2 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.031 0.679 18327 550 1 2 . 1 1 73 73 GLU H H 73 8.464 8.464 8.526 -0.062 18327 551 1 3 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.613 0.947 18327 552 1 3 . 1 1 13 13 TYR CA C 13 55.860 55.860 57.782 -1.921 18327 553 1 3 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.837 1.603 18327 554 1 3 . 1 1 14 14 GLY N N 14 105.400 105.400 106.344 -0.944 18327 555 1 3 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.537 1.703 18327 556 1 3 . 1 1 14 14 GLY H H 14 8.406 8.406 8.562 -0.156 18327 557 1 3 . 1 1 15 15 VAL N N 15 118.900 118.900 121.642 -2.742 18327 558 1 3 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.848 0.482 18327 559 1 3 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.407 -1.198 18327 560 1 3 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.557 0.183 18327 561 1 3 . 1 1 15 15 VAL H H 15 8.854 8.854 8.382 0.472 18327 562 1 3 . 1 1 16 16 ALA N N 16 129.400 129.400 128.280 1.120 18327 563 1 3 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.996 0.004 18327 564 1 3 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.152 0.848 18327 565 1 3 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.605 -1.275 18327 566 1 3 . 1 1 16 16 ALA H H 16 9.112 9.112 9.238 -0.126 18327 567 1 3 . 1 1 17 17 PHE N N 17 123.900 123.900 124.130 -0.230 18327 568 1 3 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.777 -0.037 18327 569 1 3 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.825 -0.595 18327 570 1 3 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.283 -0.283 18327 571 1 3 . 1 1 17 17 PHE H H 17 8.785 8.785 8.227 0.558 18327 572 1 3 . 1 1 18 18 TYR N N 18 118.100 118.100 118.053 0.047 18327 573 1 3 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.449 0.041 18327 574 1 3 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.720 -2.420 18327 575 1 3 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.393 0.417 18327 576 1 3 . 1 1 18 18 TYR H H 18 7.288 7.288 7.681 -0.393 18327 577 1 3 . 1 1 19 19 ASN N N 19 116.800 116.800 119.535 -2.735 18327 578 1 3 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.839 -0.129 18327 579 1 3 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.552 -0.612 18327 580 1 3 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.927 -0.867 18327 581 1 3 . 1 1 19 19 ASN H H 19 8.122 8.122 8.377 -0.255 18327 582 1 3 . 1 1 20 20 TYR N N 20 122.000 122.000 124.161 -2.161 18327 583 1 3 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.581 0.129 18327 584 1 3 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.035 -0.315 18327 585 1 3 . 1 1 20 20 TYR CB C 20 42.250 42.250 43.014 -0.764 18327 586 1 3 . 1 1 20 20 TYR H H 20 8.994 8.994 8.855 0.139 18327 587 1 3 . 1 1 21 21 ASP N N 21 128.500 128.500 122.207 6.293 18327 588 1 3 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.983 -0.193 18327 589 1 3 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.400 0.970 18327 590 1 3 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.929 -1.799 18327 591 1 3 . 1 1 21 21 ASP H H 21 7.839 7.839 7.997 -0.158 18327 592 1 3 . 1 1 22 22 ALA N N 22 125.200 125.200 123.615 1.585 18327 593 1 3 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.615 -0.565 18327 594 1 3 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.861 0.078 18327 595 1 3 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.563 0.887 18327 596 1 3 . 1 1 22 22 ALA H H 22 8.107 8.107 8.501 -0.394 18327 597 1 3 . 1 1 23 23 ARG N N 23 122.200 122.200 119.100 3.100 18327 598 1 3 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.524 -0.174 18327 599 1 3 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.515 -0.025 18327 600 1 3 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.109 -0.409 18327 601 1 3 . 1 1 23 23 ARG H H 23 8.889 8.889 8.580 0.309 18327 602 1 3 . 1 1 24 24 GLY N N 24 105.200 105.200 107.674 -2.474 18327 603 1 3 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.301 -0.801 18327 604 1 3 . 1 1 24 24 GLY H H 24 7.267 7.267 7.684 -0.417 18327 605 1 3 . 1 1 25 25 ALA N N 25 122.200 122.200 122.596 -0.396 18327 606 1 3 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.240 -0.080 18327 607 1 3 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.282 0.158 18327 608 1 3 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.762 0.009 18327 609 1 3 . 1 1 25 25 ALA H H 25 8.621 8.621 8.516 0.105 18327 610 1 3 . 1 1 26 26 ASP N N 26 114.700 114.700 118.188 -3.488 18327 611 1 3 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.736 -0.036 18327 612 1 3 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.731 0.139 18327 613 1 3 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.816 -0.426 18327 614 1 3 . 1 1 26 26 ASP H H 26 8.949 8.949 8.546 0.403 18327 615 1 3 . 1 1 27 27 GLU N N 27 118.800 118.800 118.633 0.167 18327 616 1 3 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.976 0.244 18327 617 1 3 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.754 0.176 18327 618 1 3 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.136 0.744 18327 619 1 3 . 1 1 27 27 GLU H H 27 7.542 7.542 7.538 0.004 18327 620 1 3 . 1 1 28 28 LEU N N 28 121.400 121.400 120.657 0.743 18327 621 1 3 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.828 -0.068 18327 622 1 3 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.411 -1.291 18327 623 1 3 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.505 -1.004 18327 624 1 3 . 1 1 28 28 LEU H H 28 8.897 8.897 8.467 0.430 18327 625 1 3 . 1 1 29 29 SER N N 29 115.700 115.700 118.581 -2.881 18327 626 1 3 . 1 1 29 29 SER HA H 29 5.030 5.030 4.631 0.399 18327 627 1 3 . 1 1 29 29 SER CA C 29 58.470 58.470 58.007 0.463 18327 628 1 3 . 1 1 29 29 SER CB C 29 63.690 63.690 63.960 -0.270 18327 629 1 3 . 1 1 29 29 SER H H 29 7.949 7.949 8.404 -0.455 18327 630 1 3 . 1 1 30 30 LEU N N 30 121.300 121.300 118.961 2.339 18327 631 1 3 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.827 -0.027 18327 632 1 3 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.352 -2.412 18327 633 1 3 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.540 0.830 18327 634 1 3 . 1 1 30 30 LEU H H 30 9.503 9.503 8.697 0.806 18327 635 1 3 . 1 1 31 31 GLN N N 31 123.100 123.100 120.749 2.351 18327 636 1 3 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.631 0.439 18327 637 1 3 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.603 -0.663 18327 638 1 3 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.505 -1.315 18327 639 1 3 . 1 1 31 31 GLN H H 31 9.152 9.152 8.323 0.829 18327 640 1 3 . 1 1 32 32 ILE N N 32 120.800 120.800 120.673 0.127 18327 641 1 3 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.907 -0.877 18327 642 1 3 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.477 1.772 18327 643 1 3 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.435 0.504 18327 644 1 3 . 1 1 32 32 ILE H H 32 8.019 8.019 8.516 -0.497 18327 645 1 3 . 1 1 33 33 GLY N N 33 115.700 115.700 114.363 1.337 18327 646 1 3 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.883 -0.383 18327 647 1 3 . 1 1 33 33 GLY H H 33 8.777 8.777 8.831 -0.054 18327 648 1 3 . 1 1 34 34 ASP N N 34 122.300 122.300 121.275 1.025 18327 649 1 3 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.908 -0.268 18327 650 1 3 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.454 2.406 18327 651 1 3 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.734 -1.424 18327 652 1 3 . 1 1 34 34 ASP H H 34 8.690 8.690 7.750 0.940 18327 653 1 3 . 1 1 35 35 THR N N 35 117.900 117.900 116.298 1.602 18327 654 1 3 . 1 1 35 35 THR HA H 35 5.160 5.160 5.323 -0.163 18327 655 1 3 . 1 1 35 35 THR CA C 35 61.450 61.450 61.618 -0.168 18327 656 1 3 . 1 1 35 35 THR CB C 35 69.090 69.090 70.718 -1.627 18327 657 1 3 . 1 1 35 35 THR H H 35 8.389 8.389 8.394 -0.005 18327 658 1 3 . 1 1 36 36 VAL N N 36 118.200 118.200 117.742 0.458 18327 659 1 3 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.430 0.670 18327 660 1 3 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.168 -2.258 18327 661 1 3 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.382 -0.192 18327 662 1 3 . 1 1 36 36 VAL H H 36 9.019 9.019 9.126 -0.107 18327 663 1 3 . 1 1 37 37 HIS N N 37 122.100 122.100 119.248 2.852 18327 664 1 3 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.994 -0.154 18327 665 1 3 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.270 -1.710 18327 666 1 3 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.574 -2.314 18327 667 1 3 . 1 1 37 37 HIS H H 37 8.489 8.489 8.589 -0.100 18327 668 1 3 . 1 1 38 38 ILE N N 38 126.400 126.400 124.938 1.462 18327 669 1 3 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.122 -0.342 18327 670 1 3 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.135 0.505 18327 671 1 3 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.276 0.604 18327 672 1 3 . 1 1 38 38 ILE H H 38 8.636 8.636 8.373 0.263 18327 673 1 3 . 1 1 39 39 LEU N N 39 126.000 126.000 125.213 0.787 18327 674 1 3 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.764 -0.364 18327 675 1 3 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.401 0.089 18327 676 1 3 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.188 -0.438 18327 677 1 3 . 1 1 39 39 LEU H H 39 9.162 9.162 8.330 0.832 18327 678 1 3 . 1 1 40 40 GLU N N 40 115.100 115.100 118.075 -2.975 18327 679 1 3 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.798 3.097 18327 680 1 3 . 1 1 41 41 THR N N 41 116.400 116.400 112.109 4.291 18327 681 1 3 . 1 1 41 41 THR HA H 41 4.270 4.270 5.004 -0.734 18327 682 1 3 . 1 1 41 41 THR CA C 41 60.890 60.890 60.973 -0.083 18327 683 1 3 . 1 1 41 41 THR CB C 41 69.650 69.650 71.203 -1.553 18327 684 1 3 . 1 1 41 41 THR H H 41 8.162 8.162 8.588 -0.426 18327 685 1 3 . 1 1 43 43 GLU N N 43 123.300 123.300 121.548 1.752 18327 686 1 3 . 1 1 43 43 GLU HA H 43 4.270 4.270 3.717 0.553 18327 687 1 3 . 1 1 43 43 GLU CA C 43 57.350 57.350 56.993 0.357 18327 688 1 3 . 1 1 43 43 GLU CB C 43 26.790 26.790 28.270 -1.480 18327 689 1 3 . 1 1 43 43 GLU H H 43 8.108 8.108 8.658 -0.550 18327 690 1 3 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.188 0.252 18327 691 1 3 . 1 1 45 45 TRP N N 45 124.100 124.100 118.455 5.645 18327 692 1 3 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.847 -0.157 18327 693 1 3 . 1 1 45 45 TRP H H 45 8.590 8.590 7.358 1.232 18327 694 1 3 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.635 0.965 18327 695 1 3 . 1 1 46 46 TYR CA C 46 54.060 54.060 56.892 -2.832 18327 696 1 3 . 1 1 46 46 TYR CB C 46 42.060 42.060 39.821 2.239 18327 697 1 3 . 1 1 47 47 ARG N N 47 118.100 118.100 124.692 -6.592 18327 698 1 3 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.810 0.260 18327 699 1 3 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.673 -0.613 18327 700 1 3 . 1 1 47 47 ARG CB C 47 33.250 33.250 32.690 0.560 18327 701 1 3 . 1 1 47 47 ARG H H 47 8.495 8.495 8.724 -0.229 18327 702 1 3 . 1 1 48 48 GLY N N 48 114.000 114.000 114.912 -0.912 18327 703 1 3 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.433 0.127 18327 704 1 3 . 1 1 48 48 GLY H H 48 9.183 9.183 9.066 0.117 18327 705 1 3 . 1 1 49 49 TYR N N 49 116.200 116.200 117.065 -0.865 18327 706 1 3 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.060 0.320 18327 707 1 3 . 1 1 49 49 TYR CA C 49 55.110 55.110 57.070 -1.960 18327 708 1 3 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.410 1.340 18327 709 1 3 . 1 1 49 49 TYR H H 49 8.199 8.199 8.500 -0.301 18327 710 1 3 . 1 1 50 50 THR N N 50 112.200 112.200 111.294 0.906 18327 711 1 3 . 1 1 50 50 THR HA H 50 5.120 5.120 4.313 0.807 18327 712 1 3 . 1 1 50 50 THR CA C 50 59.770 59.770 61.102 -1.333 18327 713 1 3 . 1 1 50 50 THR CB C 50 69.460 69.460 69.987 -0.527 18327 714 1 3 . 1 1 50 50 THR H H 50 9.436 9.436 8.470 0.966 18327 715 1 3 . 1 1 51 51 LEU N N 51 121.300 121.300 119.666 1.634 18327 716 1 3 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.285 -0.055 18327 717 1 3 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.269 1.521 18327 718 1 3 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.750 -1.750 18327 719 1 3 . 1 1 51 51 LEU H H 51 8.313 8.313 8.152 0.161 18327 720 1 3 . 1 1 52 52 ARG N N 52 116.600 116.600 117.824 -1.224 18327 721 1 3 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.207 0.043 18327 722 1 3 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.400 -0.050 18327 723 1 3 . 1 1 52 52 ARG CB C 52 30.510 30.510 31.042 -0.532 18327 724 1 3 . 1 1 52 52 ARG H H 52 8.053 8.053 7.939 0.114 18327 725 1 3 . 1 1 53 53 LYS N N 53 122.600 122.600 118.340 4.260 18327 726 1 3 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.525 0.095 18327 727 1 3 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.621 -1.001 18327 728 1 3 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.980 -1.671 18327 729 1 3 . 1 1 53 53 LYS H H 53 7.655 7.655 7.571 0.084 18327 730 1 3 . 1 1 54 54 LYS N N 54 124.900 124.900 125.772 -0.872 18327 731 1 3 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.340 -0.250 18327 732 1 3 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.517 -0.048 18327 733 1 3 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.693 -0.563 18327 734 1 3 . 1 1 54 54 LYS H H 54 8.499 8.499 8.893 -0.394 18327 735 1 3 . 1 1 55 55 SER N N 55 110.100 110.100 113.645 -3.545 18327 736 1 3 . 1 1 55 55 SER HA H 55 4.140 4.140 4.280 -0.140 18327 737 1 3 . 1 1 55 55 SER CA C 55 58.470 58.470 59.663 -1.193 18327 738 1 3 . 1 1 55 55 SER CB C 55 63.310 63.310 63.271 0.039 18327 739 1 3 . 1 1 55 55 SER H H 55 7.862 7.862 8.009 -0.147 18327 740 1 3 . 1 1 56 56 LYS N N 56 124.000 124.000 122.326 1.674 18327 741 1 3 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.447 0.253 18327 742 1 3 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.372 -0.562 18327 743 1 3 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.905 0.345 18327 744 1 3 . 1 1 56 56 LYS H H 56 7.481 7.481 7.953 -0.472 18327 745 1 3 . 1 1 57 57 LYS N N 57 125.700 125.700 121.894 3.806 18327 746 1 3 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.675 0.655 18327 747 1 3 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.880 -0.260 18327 748 1 3 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.519 -2.279 18327 749 1 3 . 1 1 57 57 LYS H H 57 8.475 8.475 8.414 0.061 18327 750 1 3 . 1 1 58 58 GLY N N 58 109.400 109.400 107.140 2.260 18327 751 1 3 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.372 0.248 18327 752 1 3 . 1 1 58 58 GLY H H 58 9.073 9.073 8.461 0.612 18327 753 1 3 . 1 1 59 59 ILE N N 59 113.900 113.900 117.259 -3.359 18327 754 1 3 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.416 0.584 18327 755 1 3 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.698 0.892 18327 756 1 3 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.293 -1.153 18327 757 1 3 . 1 1 59 59 ILE H H 59 8.628 8.628 8.241 0.387 18327 758 1 3 . 1 1 60 60 PHE N N 60 116.900 116.900 115.923 0.977 18327 759 1 3 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.093 0.027 18327 760 1 3 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.175 -1.115 18327 761 1 3 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.078 -2.888 18327 762 1 3 . 1 1 60 60 PHE H H 60 8.724 8.724 8.584 0.140 18327 763 1 3 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.527 -0.047 18327 764 1 3 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.458 -0.258 18327 765 1 3 . 1 1 61 61 PRO CB C 61 31.190 31.190 30.859 0.331 18327 766 1 3 . 1 1 62 62 ALA N N 62 124.600 124.600 128.350 -3.750 18327 767 1 3 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.220 -0.500 18327 768 1 3 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.451 -0.081 18327 769 1 3 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.363 -0.713 18327 770 1 3 . 1 1 62 62 ALA H H 62 7.898 7.898 8.489 -0.591 18327 771 1 3 . 1 1 63 63 SER N N 63 109.700 109.700 112.626 -2.926 18327 772 1 3 . 1 1 63 63 SER HA H 63 4.200 4.200 4.079 0.121 18327 773 1 3 . 1 1 63 63 SER CA C 63 59.400 59.400 60.593 -1.193 18327 774 1 3 . 1 1 63 63 SER CB C 63 62.380 62.380 62.697 -0.317 18327 775 1 3 . 1 1 63 63 SER H H 63 8.030 8.030 8.029 0.001 18327 776 1 3 . 1 1 64 64 TYR N N 64 120.300 120.300 117.354 2.946 18327 777 1 3 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.738 -0.478 18327 778 1 3 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.178 1.542 18327 779 1 3 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.220 0.340 18327 780 1 3 . 1 1 64 64 TYR H H 64 7.124 7.124 7.099 0.025 18327 781 1 3 . 1 1 65 65 ILE N N 65 118.000 118.000 118.058 -0.058 18327 782 1 3 . 1 1 65 65 ILE HA H 65 4.830 4.830 5.080 -0.250 18327 783 1 3 . 1 1 65 65 ILE CA C 65 56.980 56.980 58.920 -1.940 18327 784 1 3 . 1 1 65 65 ILE CB C 65 39.630 39.630 42.629 -2.999 18327 785 1 3 . 1 1 65 65 ILE H H 65 7.671 7.671 7.597 0.074 18327 786 1 3 . 1 1 66 66 HIS N N 66 124.500 124.500 121.552 2.948 18327 787 1 3 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.790 0.340 18327 788 1 3 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.470 -1.410 18327 789 1 3 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.494 -2.984 18327 790 1 3 . 1 1 66 66 HIS H H 66 9.159 9.159 8.641 0.518 18327 791 1 3 . 1 1 67 67 LEU N N 67 127.400 127.400 126.615 0.785 18327 792 1 3 . 1 1 67 67 LEU HA H 67 4.560 4.560 5.040 -0.480 18327 793 1 3 . 1 1 67 67 LEU CA C 67 55.300 55.300 54.738 0.562 18327 794 1 3 . 1 1 67 67 LEU CB C 67 42.060 42.060 43.305 -1.245 18327 795 1 3 . 1 1 67 67 LEU H H 67 8.979 8.979 8.769 0.210 18327 796 1 3 . 1 1 68 68 LYS N N 68 121.900 121.900 121.586 0.314 18327 797 1 3 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.317 0.173 18327 798 1 3 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.565 -0.455 18327 799 1 3 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.153 0.457 18327 800 1 3 . 1 1 68 68 LYS H H 68 8.499 8.499 8.696 -0.197 18327 801 1 3 . 1 1 69 69 GLU N N 69 122.100 122.100 125.273 -3.173 18327 802 1 3 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.269 0.021 18327 803 1 3 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.555 0.055 18327 804 1 3 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.588 1.742 18327 805 1 3 . 1 1 69 69 GLU H H 69 8.569 8.569 8.887 -0.318 18327 806 1 3 . 1 1 70 70 ALA N N 70 123.300 123.300 126.038 -2.738 18327 807 1 3 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.407 -0.198 18327 808 1 3 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.203 -0.393 18327 809 1 3 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.398 0.302 18327 810 1 3 . 1 1 70 70 ALA H H 70 8.181 8.181 8.072 0.109 18327 811 1 3 . 1 1 71 71 ILE N N 71 120.000 120.000 118.584 1.416 18327 812 1 3 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.338 -0.268 18327 813 1 3 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.256 0.074 18327 814 1 3 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.796 -1.106 18327 815 1 3 . 1 1 71 71 ILE H H 71 7.789 7.789 8.140 -0.351 18327 816 1 3 . 1 1 72 72 VAL N N 72 124.400 124.400 119.521 4.879 18327 817 1 3 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.546 -0.476 18327 818 1 3 . 1 1 72 72 VAL CA C 72 61.640 61.640 60.416 1.224 18327 819 1 3 . 1 1 72 72 VAL CB C 72 32.690 32.690 35.195 -2.505 18327 820 1 3 . 1 1 72 72 VAL H H 72 8.089 8.089 8.174 -0.085 18327 821 1 3 . 1 1 73 73 GLU N N 73 125.940 125.940 121.207 4.733 18327 822 1 3 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.574 -0.274 18327 823 1 3 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.691 0.918 18327 824 1 3 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.806 -0.096 18327 825 1 3 . 1 1 73 73 GLU H H 73 8.464 8.464 8.466 -0.002 18327 826 1 4 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.576 0.984 18327 827 1 4 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.523 -0.663 18327 828 1 4 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.795 1.645 18327 829 1 4 . 1 1 14 14 GLY N N 14 105.400 105.400 107.944 -2.544 18327 830 1 4 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.295 0.945 18327 831 1 4 . 1 1 14 14 GLY H H 14 8.406 8.406 8.539 -0.133 18327 832 1 4 . 1 1 15 15 VAL N N 15 118.900 118.900 126.799 -7.899 18327 833 1 4 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.719 0.611 18327 834 1 4 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.924 -1.714 18327 835 1 4 . 1 1 15 15 VAL CB C 15 35.740 35.740 33.449 2.291 18327 836 1 4 . 1 1 15 15 VAL H H 15 8.854 8.854 8.528 0.326 18327 837 1 4 . 1 1 16 16 ALA N N 16 129.400 129.400 129.235 0.165 18327 838 1 4 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.757 0.243 18327 839 1 4 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.645 0.355 18327 840 1 4 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.044 -0.714 18327 841 1 4 . 1 1 16 16 ALA H H 16 9.112 9.112 8.944 0.168 18327 842 1 4 . 1 1 17 17 PHE N N 17 123.900 123.900 123.610 0.290 18327 843 1 4 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.667 0.073 18327 844 1 4 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.773 -1.543 18327 845 1 4 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.559 -0.558 18327 846 1 4 . 1 1 17 17 PHE H H 17 8.785 8.785 8.996 -0.211 18327 847 1 4 . 1 1 18 18 TYR N N 18 118.100 118.100 118.928 -0.828 18327 848 1 4 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.473 0.017 18327 849 1 4 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.557 -2.257 18327 850 1 4 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.625 1.185 18327 851 1 4 . 1 1 18 18 TYR H H 18 7.288 7.288 7.370 -0.082 18327 852 1 4 . 1 1 19 19 ASN N N 19 116.800 116.800 122.123 -5.323 18327 853 1 4 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.906 -0.196 18327 854 1 4 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.382 -0.442 18327 855 1 4 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.417 -0.357 18327 856 1 4 . 1 1 19 19 ASN H H 19 8.122 8.122 8.414 -0.292 18327 857 1 4 . 1 1 20 20 TYR N N 20 122.000 122.000 125.657 -3.657 18327 858 1 4 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.886 -0.176 18327 859 1 4 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.246 0.474 18327 860 1 4 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.824 -0.574 18327 861 1 4 . 1 1 20 20 TYR H H 20 8.994 8.994 9.232 -0.238 18327 862 1 4 . 1 1 21 21 ASP N N 21 128.500 128.500 123.481 5.019 18327 863 1 4 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.717 0.073 18327 864 1 4 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.499 -0.129 18327 865 1 4 . 1 1 21 21 ASP CB C 21 41.130 41.130 44.210 -3.080 18327 866 1 4 . 1 1 21 21 ASP H H 21 7.839 7.839 7.711 0.128 18327 867 1 4 . 1 1 22 22 ALA N N 22 125.200 125.200 122.630 2.570 18327 868 1 4 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.160 -0.110 18327 869 1 4 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.309 -0.370 18327 870 1 4 . 1 1 22 22 ALA CB C 22 20.450 20.450 18.951 1.498 18327 871 1 4 . 1 1 22 22 ALA H H 22 8.107 8.107 8.260 -0.153 18327 872 1 4 . 1 1 23 23 ARG N N 23 122.200 122.200 123.670 -1.470 18327 873 1 4 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.429 -0.079 18327 874 1 4 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.541 -0.051 18327 875 1 4 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.633 0.067 18327 876 1 4 . 1 1 23 23 ARG H H 23 8.889 8.889 8.835 0.054 18327 877 1 4 . 1 1 24 24 GLY N N 24 105.200 105.200 107.021 -1.821 18327 878 1 4 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.201 -0.701 18327 879 1 4 . 1 1 24 24 GLY H H 24 7.267 7.267 7.560 -0.293 18327 880 1 4 . 1 1 25 25 ALA N N 25 122.200 122.200 122.643 -0.443 18327 881 1 4 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.236 -0.076 18327 882 1 4 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.245 0.195 18327 883 1 4 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.703 0.067 18327 884 1 4 . 1 1 25 25 ALA H H 25 8.621 8.621 8.462 0.159 18327 885 1 4 . 1 1 26 26 ASP N N 26 114.700 114.700 118.942 -4.242 18327 886 1 4 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.739 -0.039 18327 887 1 4 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.656 0.214 18327 888 1 4 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.408 -0.018 18327 889 1 4 . 1 1 26 26 ASP H H 26 8.949 8.949 8.474 0.475 18327 890 1 4 . 1 1 27 27 GLU N N 27 118.800 118.800 119.241 -0.441 18327 891 1 4 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.840 0.380 18327 892 1 4 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.304 -0.374 18327 893 1 4 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.369 1.511 18327 894 1 4 . 1 1 27 27 GLU H H 27 7.542 7.542 7.524 0.018 18327 895 1 4 . 1 1 28 28 LEU N N 28 121.400 121.400 120.180 1.220 18327 896 1 4 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.750 0.010 18327 897 1 4 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.497 -1.377 18327 898 1 4 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.274 -0.774 18327 899 1 4 . 1 1 28 28 LEU H H 28 8.897 8.897 8.392 0.505 18327 900 1 4 . 1 1 29 29 SER N N 29 115.700 115.700 120.664 -4.964 18327 901 1 4 . 1 1 29 29 SER HA H 29 5.030 5.030 4.908 0.122 18327 902 1 4 . 1 1 29 29 SER CA C 29 58.470 58.470 58.160 0.310 18327 903 1 4 . 1 1 29 29 SER CB C 29 63.690 63.690 64.582 -0.892 18327 904 1 4 . 1 1 29 29 SER H H 29 7.949 7.949 8.394 -0.445 18327 905 1 4 . 1 1 30 30 LEU N N 30 121.300 121.300 119.794 1.506 18327 906 1 4 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.697 0.103 18327 907 1 4 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.624 -2.684 18327 908 1 4 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.657 -0.287 18327 909 1 4 . 1 1 30 30 LEU H H 30 9.503 9.503 8.492 1.012 18327 910 1 4 . 1 1 31 31 GLN N N 31 123.100 123.100 119.663 3.437 18327 911 1 4 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.772 0.298 18327 912 1 4 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.154 -1.214 18327 913 1 4 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.143 -0.953 18327 914 1 4 . 1 1 31 31 GLN H H 31 9.152 9.152 8.298 0.854 18327 915 1 4 . 1 1 32 32 ILE N N 32 120.800 120.800 120.053 0.747 18327 916 1 4 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.579 -0.549 18327 917 1 4 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.495 1.755 18327 918 1 4 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.312 0.628 18327 919 1 4 . 1 1 32 32 ILE H H 32 8.019 8.019 8.487 -0.468 18327 920 1 4 . 1 1 33 33 GLY N N 33 115.700 115.700 114.094 1.606 18327 921 1 4 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.928 -0.428 18327 922 1 4 . 1 1 33 33 GLY H H 33 8.777 8.777 8.586 0.191 18327 923 1 4 . 1 1 34 34 ASP N N 34 122.300 122.300 121.241 1.059 18327 924 1 4 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.990 -0.350 18327 925 1 4 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.805 2.055 18327 926 1 4 . 1 1 34 34 ASP CB C 34 41.310 41.310 41.984 -0.674 18327 927 1 4 . 1 1 34 34 ASP H H 34 8.690 8.690 7.576 1.114 18327 928 1 4 . 1 1 35 35 THR N N 35 117.900 117.900 115.343 2.557 18327 929 1 4 . 1 1 35 35 THR HA H 35 5.160 5.160 5.148 0.012 18327 930 1 4 . 1 1 35 35 THR CA C 35 61.450 61.450 61.338 0.112 18327 931 1 4 . 1 1 35 35 THR CB C 35 69.090 69.090 70.739 -1.649 18327 932 1 4 . 1 1 35 35 THR H H 35 8.389 8.389 8.188 0.201 18327 933 1 4 . 1 1 36 36 VAL N N 36 118.200 118.200 118.025 0.175 18327 934 1 4 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.850 0.250 18327 935 1 4 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.765 -1.855 18327 936 1 4 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.229 -0.039 18327 937 1 4 . 1 1 36 36 VAL H H 36 9.019 9.019 9.041 -0.022 18327 938 1 4 . 1 1 37 37 HIS N N 37 122.100 122.100 119.362 2.738 18327 939 1 4 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.937 -0.097 18327 940 1 4 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.141 -1.581 18327 941 1 4 . 1 1 37 37 HIS CB C 37 31.260 31.260 32.729 -1.469 18327 942 1 4 . 1 1 37 37 HIS H H 37 8.489 8.489 8.699 -0.210 18327 943 1 4 . 1 1 38 38 ILE N N 38 126.400 126.400 126.463 -0.063 18327 944 1 4 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.367 -0.587 18327 945 1 4 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.158 0.482 18327 946 1 4 . 1 1 38 38 ILE CB C 38 38.880 38.880 39.132 -0.251 18327 947 1 4 . 1 1 38 38 ILE H H 38 8.636 8.636 8.778 -0.142 18327 948 1 4 . 1 1 39 39 LEU N N 39 126.000 126.000 124.448 1.552 18327 949 1 4 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.740 -0.340 18327 950 1 4 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.016 0.474 18327 951 1 4 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.451 -0.701 18327 952 1 4 . 1 1 39 39 LEU H H 39 9.162 9.162 8.983 0.179 18327 953 1 4 . 1 1 40 40 GLU N N 40 115.100 115.100 117.860 -2.760 18327 954 1 4 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.817 3.078 18327 955 1 4 . 1 1 41 41 THR N N 41 116.400 116.400 109.278 7.122 18327 956 1 4 . 1 1 41 41 THR HA H 41 4.270 4.270 4.710 -0.440 18327 957 1 4 . 1 1 41 41 THR CA C 41 60.890 60.890 60.612 0.278 18327 958 1 4 . 1 1 41 41 THR CB C 41 69.650 69.650 70.768 -1.118 18327 959 1 4 . 1 1 41 41 THR H H 41 8.162 8.162 8.346 -0.184 18327 960 1 4 . 1 1 43 43 GLU N N 43 123.300 123.300 121.160 2.140 18327 961 1 4 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.319 -0.049 18327 962 1 4 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.012 2.338 18327 963 1 4 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.512 -2.722 18327 964 1 4 . 1 1 43 43 GLU H H 43 8.108 8.108 8.358 -0.250 18327 965 1 4 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.604 -0.164 18327 966 1 4 . 1 1 45 45 TRP N N 45 124.100 124.100 119.115 4.985 18327 967 1 4 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.664 0.026 18327 968 1 4 . 1 1 45 45 TRP H H 45 8.590 8.590 7.389 1.201 18327 969 1 4 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.600 1.000 18327 970 1 4 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.080 -3.020 18327 971 1 4 . 1 1 46 46 TYR CB C 46 42.060 42.060 42.140 -0.080 18327 972 1 4 . 1 1 47 47 ARG N N 47 118.100 118.100 120.841 -2.741 18327 973 1 4 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.932 0.138 18327 974 1 4 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.212 -0.152 18327 975 1 4 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.569 -1.319 18327 976 1 4 . 1 1 47 47 ARG H H 47 8.495 8.495 9.090 -0.595 18327 977 1 4 . 1 1 48 48 GLY N N 48 114.000 114.000 112.970 1.030 18327 978 1 4 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.252 0.308 18327 979 1 4 . 1 1 48 48 GLY H H 48 9.183 9.183 9.149 0.034 18327 980 1 4 . 1 1 49 49 TYR N N 49 116.200 116.200 116.079 0.121 18327 981 1 4 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.071 0.309 18327 982 1 4 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.874 -1.764 18327 983 1 4 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.427 1.323 18327 984 1 4 . 1 1 49 49 TYR H H 49 8.199 8.199 8.371 -0.172 18327 985 1 4 . 1 1 50 50 THR N N 50 112.200 112.200 111.456 0.744 18327 986 1 4 . 1 1 50 50 THR HA H 50 5.120 5.120 4.284 0.836 18327 987 1 4 . 1 1 50 50 THR CA C 50 59.770 59.770 60.597 -0.827 18327 988 1 4 . 1 1 50 50 THR CB C 50 69.460 69.460 69.937 -0.477 18327 989 1 4 . 1 1 50 50 THR H H 50 9.436 9.436 8.311 1.125 18327 990 1 4 . 1 1 51 51 LEU N N 51 121.300 121.300 120.077 1.223 18327 991 1 4 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.359 -0.129 18327 992 1 4 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.312 1.478 18327 993 1 4 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.005 -2.005 18327 994 1 4 . 1 1 51 51 LEU H H 51 8.313 8.313 8.283 0.030 18327 995 1 4 . 1 1 52 52 ARG N N 52 116.600 116.600 117.982 -1.382 18327 996 1 4 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.177 0.073 18327 997 1 4 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.126 0.224 18327 998 1 4 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.924 -0.414 18327 999 1 4 . 1 1 52 52 ARG H H 52 8.053 8.053 7.833 0.220 18327 1000 1 4 . 1 1 53 53 LYS N N 53 122.600 122.600 118.947 3.653 18327 1001 1 4 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.521 0.099 18327 1002 1 4 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.826 -1.206 18327 1003 1 4 . 1 1 53 53 LYS CB C 53 32.310 32.310 34.394 -2.084 18327 1004 1 4 . 1 1 53 53 LYS H H 53 7.655 7.655 7.519 0.136 18327 1005 1 4 . 1 1 54 54 LYS N N 54 124.900 124.900 123.205 1.695 18327 1006 1 4 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.279 -0.189 18327 1007 1 4 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.034 0.436 18327 1008 1 4 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.599 -0.469 18327 1009 1 4 . 1 1 54 54 LYS H H 54 8.499 8.499 8.707 -0.208 18327 1010 1 4 . 1 1 55 55 SER N N 55 110.100 110.100 114.473 -4.373 18327 1011 1 4 . 1 1 55 55 SER HA H 55 4.140 4.140 4.272 -0.132 18327 1012 1 4 . 1 1 55 55 SER CA C 55 58.470 58.470 60.042 -1.572 18327 1013 1 4 . 1 1 55 55 SER CB C 55 63.310 63.310 62.714 0.596 18327 1014 1 4 . 1 1 55 55 SER H H 55 7.862 7.862 8.015 -0.153 18327 1015 1 4 . 1 1 56 56 LYS N N 56 124.000 124.000 122.157 1.843 18327 1016 1 4 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.349 0.351 18327 1017 1 4 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.673 -0.863 18327 1018 1 4 . 1 1 56 56 LYS CB C 56 33.250 33.250 31.752 1.498 18327 1019 1 4 . 1 1 56 56 LYS H H 56 7.481 7.481 8.239 -0.758 18327 1020 1 4 . 1 1 57 57 LYS N N 57 125.700 125.700 121.627 4.073 18327 1021 1 4 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.543 0.787 18327 1022 1 4 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.071 -0.451 18327 1023 1 4 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.135 -0.895 18327 1024 1 4 . 1 1 57 57 LYS H H 57 8.475 8.475 7.784 0.691 18327 1025 1 4 . 1 1 58 58 GLY N N 58 109.400 109.400 107.672 1.728 18327 1026 1 4 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.377 0.243 18327 1027 1 4 . 1 1 58 58 GLY H H 58 9.073 9.073 8.842 0.231 18327 1028 1 4 . 1 1 59 59 ILE N N 59 113.900 113.900 118.230 -4.330 18327 1029 1 4 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.881 1.119 18327 1030 1 4 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.627 0.963 18327 1031 1 4 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.280 -1.140 18327 1032 1 4 . 1 1 59 59 ILE H H 59 8.628 8.628 8.154 0.474 18327 1033 1 4 . 1 1 60 60 PHE N N 60 116.900 116.900 114.048 2.852 18327 1034 1 4 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.149 -0.029 18327 1035 1 4 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.249 -1.189 18327 1036 1 4 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.486 -2.296 18327 1037 1 4 . 1 1 60 60 PHE H H 60 8.724 8.724 8.438 0.286 18327 1038 1 4 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.670 -0.190 18327 1039 1 4 . 1 1 61 61 PRO CA C 61 62.200 62.200 61.818 0.382 18327 1040 1 4 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.451 -0.261 18327 1041 1 4 . 1 1 62 62 ALA N N 62 124.600 124.600 126.051 -1.451 18327 1042 1 4 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.138 -0.418 18327 1043 1 4 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.780 -0.410 18327 1044 1 4 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.353 -0.703 18327 1045 1 4 . 1 1 62 62 ALA H H 62 7.898 7.898 8.267 -0.369 18327 1046 1 4 . 1 1 63 63 SER N N 63 109.700 109.700 112.753 -3.053 18327 1047 1 4 . 1 1 63 63 SER HA H 63 4.200 4.200 4.307 -0.107 18327 1048 1 4 . 1 1 63 63 SER CA C 63 59.400 59.400 60.527 -1.127 18327 1049 1 4 . 1 1 63 63 SER CB C 63 62.380 62.380 63.012 -0.632 18327 1050 1 4 . 1 1 63 63 SER H H 63 8.030 8.030 7.991 0.039 18327 1051 1 4 . 1 1 64 64 TYR N N 64 120.300 120.300 119.221 1.079 18327 1052 1 4 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.423 -0.163 18327 1053 1 4 . 1 1 64 64 TYR CA C 64 57.720 57.720 59.520 -1.800 18327 1054 1 4 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.381 -0.821 18327 1055 1 4 . 1 1 64 64 TYR H H 64 7.124 7.124 7.998 -0.874 18327 1056 1 4 . 1 1 65 65 ILE N N 65 118.000 118.000 115.764 2.236 18327 1057 1 4 . 1 1 65 65 ILE HA H 65 4.830 4.830 5.018 -0.188 18327 1058 1 4 . 1 1 65 65 ILE CA C 65 56.980 56.980 60.022 -3.042 18327 1059 1 4 . 1 1 65 65 ILE CB C 65 39.630 39.630 40.281 -0.650 18327 1060 1 4 . 1 1 65 65 ILE H H 65 7.671 7.671 7.474 0.197 18327 1061 1 4 . 1 1 66 66 HIS N N 66 124.500 124.500 126.538 -2.038 18327 1062 1 4 . 1 1 66 66 HIS HA H 66 5.130 5.130 5.028 0.102 18327 1063 1 4 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.207 -1.147 18327 1064 1 4 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.566 -3.057 18327 1065 1 4 . 1 1 66 66 HIS H H 66 9.159 9.159 8.999 0.160 18327 1066 1 4 . 1 1 67 67 LEU N N 67 127.400 127.400 127.619 -0.219 18327 1067 1 4 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.679 -0.119 18327 1068 1 4 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.365 -1.065 18327 1069 1 4 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.758 -0.698 18327 1070 1 4 . 1 1 67 67 LEU H H 67 8.979 8.979 8.872 0.107 18327 1071 1 4 . 1 1 68 68 LYS N N 68 121.900 121.900 121.632 0.268 18327 1072 1 4 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.596 -0.106 18327 1073 1 4 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.434 -0.324 18327 1074 1 4 . 1 1 68 68 LYS CB C 68 34.610 34.610 36.544 -1.935 18327 1075 1 4 . 1 1 68 68 LYS H H 68 8.499 8.499 9.102 -0.603 18327 1076 1 4 . 1 1 69 69 GLU N N 69 122.100 122.100 122.730 -0.630 18327 1077 1 4 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.267 0.023 18327 1078 1 4 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.836 -0.226 18327 1079 1 4 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.660 0.670 18327 1080 1 4 . 1 1 69 69 GLU H H 69 8.569 8.569 8.762 -0.193 18327 1081 1 4 . 1 1 70 70 ALA N N 70 123.300 123.300 127.223 -3.923 18327 1082 1 4 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.088 0.122 18327 1083 1 4 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.416 -0.606 18327 1084 1 4 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.079 1.621 18327 1085 1 4 . 1 1 70 70 ALA H H 70 8.181 8.181 8.346 -0.165 18327 1086 1 4 . 1 1 71 71 ILE N N 71 120.000 120.000 118.207 1.793 18327 1087 1 4 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.117 -0.047 18327 1088 1 4 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.707 -0.377 18327 1089 1 4 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.363 0.327 18327 1090 1 4 . 1 1 71 71 ILE H H 71 7.789 7.789 8.182 -0.393 18327 1091 1 4 . 1 1 72 72 VAL N N 72 124.400 124.400 122.276 2.124 18327 1092 1 4 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.145 -0.075 18327 1093 1 4 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.753 -0.113 18327 1094 1 4 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.181 0.508 18327 1095 1 4 . 1 1 72 72 VAL H H 72 8.089 8.089 8.052 0.037 18327 1096 1 4 . 1 1 73 73 GLU N N 73 125.940 125.940 118.639 7.301 18327 1097 1 4 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.163 0.137 18327 1098 1 4 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.772 -0.162 18327 1099 1 4 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.722 0.988 18327 1100 1 4 . 1 1 73 73 GLU H H 73 8.464 8.464 8.399 0.065 18327 1101 1 5 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.805 0.755 18327 1102 1 5 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.998 -1.138 18327 1103 1 5 . 1 1 13 13 TYR CB C 13 42.440 42.440 42.126 0.314 18327 1104 1 5 . 1 1 14 14 GLY N N 14 105.400 105.400 106.674 -1.274 18327 1105 1 5 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.547 1.693 18327 1106 1 5 . 1 1 14 14 GLY H H 14 8.406 8.406 9.085 -0.679 18327 1107 1 5 . 1 1 15 15 VAL N N 15 118.900 118.900 120.529 -1.629 18327 1108 1 5 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.829 0.501 18327 1109 1 5 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.272 -1.062 18327 1110 1 5 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.197 -0.457 18327 1111 1 5 . 1 1 15 15 VAL H H 15 8.854 8.854 8.092 0.762 18327 1112 1 5 . 1 1 16 16 ALA N N 16 129.400 129.400 127.788 1.612 18327 1113 1 5 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.931 0.069 18327 1114 1 5 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.086 0.914 18327 1115 1 5 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.578 -1.248 18327 1116 1 5 . 1 1 16 16 ALA H H 16 9.112 9.112 9.039 0.073 18327 1117 1 5 . 1 1 17 17 PHE N N 17 123.900 123.900 123.635 0.265 18327 1118 1 5 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.646 0.094 18327 1119 1 5 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.480 -1.250 18327 1120 1 5 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.868 -0.868 18327 1121 1 5 . 1 1 17 17 PHE H H 17 8.785 8.785 8.677 0.108 18327 1122 1 5 . 1 1 18 18 TYR N N 18 118.100 118.100 119.828 -1.728 18327 1123 1 5 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.501 -0.011 18327 1124 1 5 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.608 -2.308 18327 1125 1 5 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.273 1.537 18327 1126 1 5 . 1 1 18 18 TYR H H 18 7.288 7.288 7.651 -0.363 18327 1127 1 5 . 1 1 19 19 ASN N N 19 116.800 116.800 120.839 -4.039 18327 1128 1 5 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.952 -0.242 18327 1129 1 5 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.365 -0.425 18327 1130 1 5 . 1 1 19 19 ASN CB C 19 39.060 39.060 40.242 -1.183 18327 1131 1 5 . 1 1 19 19 ASN H H 19 8.122 8.122 8.685 -0.563 18327 1132 1 5 . 1 1 20 20 TYR N N 20 122.000 122.000 122.577 -0.577 18327 1133 1 5 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.663 0.047 18327 1134 1 5 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.387 -0.667 18327 1135 1 5 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.548 -0.298 18327 1136 1 5 . 1 1 20 20 TYR H H 20 8.994 8.994 8.991 0.003 18327 1137 1 5 . 1 1 21 21 ASP N N 21 128.500 128.500 122.509 5.991 18327 1138 1 5 . 1 1 21 21 ASP HA H 21 4.790 4.790 5.010 -0.220 18327 1139 1 5 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.601 -0.231 18327 1140 1 5 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.794 -1.664 18327 1141 1 5 . 1 1 21 21 ASP H H 21 7.839 7.839 7.478 0.361 18327 1142 1 5 . 1 1 22 22 ALA N N 22 125.200 125.200 122.430 2.770 18327 1143 1 5 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.493 -0.443 18327 1144 1 5 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.892 0.048 18327 1145 1 5 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.501 0.949 18327 1146 1 5 . 1 1 22 22 ALA H H 22 8.107 8.107 8.458 -0.351 18327 1147 1 5 . 1 1 23 23 ARG N N 23 122.200 122.200 122.383 -0.183 18327 1148 1 5 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.491 -0.141 18327 1149 1 5 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.716 -0.226 18327 1150 1 5 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.628 0.072 18327 1151 1 5 . 1 1 23 23 ARG H H 23 8.889 8.889 9.067 -0.178 18327 1152 1 5 . 1 1 24 24 GLY N N 24 105.200 105.200 106.954 -1.754 18327 1153 1 5 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.587 -0.088 18327 1154 1 5 . 1 1 24 24 GLY H H 24 7.267 7.267 7.567 -0.300 18327 1155 1 5 . 1 1 25 25 ALA N N 25 122.200 122.200 121.433 0.767 18327 1156 1 5 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.362 -0.202 18327 1157 1 5 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.939 0.501 18327 1158 1 5 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.137 -0.367 18327 1159 1 5 . 1 1 25 25 ALA H H 25 8.621 8.621 8.504 0.117 18327 1160 1 5 . 1 1 26 26 ASP N N 26 114.700 114.700 119.934 -5.234 18327 1161 1 5 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.744 -0.044 18327 1162 1 5 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.836 0.035 18327 1163 1 5 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.490 -0.100 18327 1164 1 5 . 1 1 26 26 ASP H H 26 8.949 8.949 8.555 0.394 18327 1165 1 5 . 1 1 27 27 GLU N N 27 118.800 118.800 117.844 0.956 18327 1166 1 5 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.983 0.237 18327 1167 1 5 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.430 0.500 18327 1168 1 5 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.311 0.569 18327 1169 1 5 . 1 1 27 27 GLU H H 27 7.542 7.542 7.555 -0.013 18327 1170 1 5 . 1 1 28 28 LEU N N 28 121.400 121.400 120.151 1.249 18327 1171 1 5 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.779 -0.019 18327 1172 1 5 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.713 -0.593 18327 1173 1 5 . 1 1 28 28 LEU CB C 28 44.500 44.500 46.046 -1.546 18327 1174 1 5 . 1 1 28 28 LEU H H 28 8.897 8.897 8.356 0.541 18327 1175 1 5 . 1 1 29 29 SER N N 29 115.700 115.700 116.395 -0.695 18327 1176 1 5 . 1 1 29 29 SER HA H 29 5.030 5.030 5.131 -0.101 18327 1177 1 5 . 1 1 29 29 SER CA C 29 58.470 58.470 57.970 0.500 18327 1178 1 5 . 1 1 29 29 SER CB C 29 63.690 63.690 64.221 -0.531 18327 1179 1 5 . 1 1 29 29 SER H H 29 7.949 7.949 8.393 -0.444 18327 1180 1 5 . 1 1 30 30 LEU N N 30 121.300 121.300 121.776 -0.476 18327 1181 1 5 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.641 0.159 18327 1182 1 5 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.536 -2.596 18327 1183 1 5 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.082 0.288 18327 1184 1 5 . 1 1 30 30 LEU H H 30 9.503 9.503 8.951 0.552 18327 1185 1 5 . 1 1 31 31 GLN N N 31 123.100 123.100 121.007 2.093 18327 1186 1 5 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.700 0.370 18327 1187 1 5 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.257 -1.317 18327 1188 1 5 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.586 -1.396 18327 1189 1 5 . 1 1 31 31 GLN H H 31 9.152 9.152 8.495 0.657 18327 1190 1 5 . 1 1 32 32 ILE N N 32 120.800 120.800 121.393 -0.593 18327 1191 1 5 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.880 -0.850 18327 1192 1 5 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.251 1.999 18327 1193 1 5 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.639 0.301 18327 1194 1 5 . 1 1 32 32 ILE H H 32 8.019 8.019 8.517 -0.498 18327 1195 1 5 . 1 1 33 33 GLY N N 33 115.700 115.700 114.322 1.378 18327 1196 1 5 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.883 -0.383 18327 1197 1 5 . 1 1 33 33 GLY H H 33 8.777 8.777 8.525 0.252 18327 1198 1 5 . 1 1 34 34 ASP N N 34 122.300 122.300 121.984 0.316 18327 1199 1 5 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.893 -0.253 18327 1200 1 5 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.512 2.348 18327 1201 1 5 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.324 -1.014 18327 1202 1 5 . 1 1 34 34 ASP H H 34 8.690 8.690 7.590 1.100 18327 1203 1 5 . 1 1 35 35 THR N N 35 117.900 117.900 116.339 1.561 18327 1204 1 5 . 1 1 35 35 THR HA H 35 5.160 5.160 5.162 -0.002 18327 1205 1 5 . 1 1 35 35 THR CA C 35 61.450 61.450 61.396 0.054 18327 1206 1 5 . 1 1 35 35 THR CB C 35 69.090 69.090 70.662 -1.571 18327 1207 1 5 . 1 1 35 35 THR H H 35 8.389 8.389 8.311 0.078 18327 1208 1 5 . 1 1 36 36 VAL N N 36 118.200 118.200 117.395 0.805 18327 1209 1 5 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.793 0.307 18327 1210 1 5 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.107 -2.197 18327 1211 1 5 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.797 -0.607 18327 1212 1 5 . 1 1 36 36 VAL H H 36 9.019 9.019 9.023 -0.004 18327 1213 1 5 . 1 1 37 37 HIS N N 37 122.100 122.100 119.349 2.751 18327 1214 1 5 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.928 -0.088 18327 1215 1 5 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.283 -1.723 18327 1216 1 5 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.512 -2.252 18327 1217 1 5 . 1 1 37 37 HIS H H 37 8.489 8.489 8.255 0.234 18327 1218 1 5 . 1 1 38 38 ILE N N 38 126.400 126.400 124.274 2.126 18327 1219 1 5 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.040 -0.260 18327 1220 1 5 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.242 0.398 18327 1221 1 5 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.841 0.039 18327 1222 1 5 . 1 1 38 38 ILE H H 38 8.636 8.636 8.308 0.328 18327 1223 1 5 . 1 1 39 39 LEU N N 39 126.000 126.000 123.771 2.229 18327 1224 1 5 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.818 -0.418 18327 1225 1 5 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.312 0.179 18327 1226 1 5 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.777 -1.027 18327 1227 1 5 . 1 1 39 39 LEU H H 39 9.162 9.162 8.426 0.736 18327 1228 1 5 . 1 1 40 40 GLU N N 40 115.100 115.100 117.504 -2.404 18327 1229 1 5 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.708 3.187 18327 1230 1 5 . 1 1 41 41 THR N N 41 116.400 116.400 111.318 5.082 18327 1231 1 5 . 1 1 41 41 THR HA H 41 4.270 4.270 4.749 -0.479 18327 1232 1 5 . 1 1 41 41 THR CA C 41 60.890 60.890 60.395 0.495 18327 1233 1 5 . 1 1 41 41 THR CB C 41 69.650 69.650 71.225 -1.575 18327 1234 1 5 . 1 1 41 41 THR H H 41 8.162 8.162 8.423 -0.261 18327 1235 1 5 . 1 1 43 43 GLU N N 43 123.300 123.300 121.184 2.116 18327 1236 1 5 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.461 -0.191 18327 1237 1 5 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.793 1.557 18327 1238 1 5 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.638 -2.848 18327 1239 1 5 . 1 1 43 43 GLU H H 43 8.108 8.108 8.460 -0.352 18327 1240 1 5 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.843 -0.403 18327 1241 1 5 . 1 1 45 45 TRP N N 45 124.100 124.100 118.892 5.208 18327 1242 1 5 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.595 0.095 18327 1243 1 5 . 1 1 45 45 TRP H H 45 8.590 8.590 7.366 1.224 18327 1244 1 5 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.591 1.008 18327 1245 1 5 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.450 -3.390 18327 1246 1 5 . 1 1 46 46 TYR CB C 46 42.060 42.060 41.847 0.213 18327 1247 1 5 . 1 1 47 47 ARG N N 47 118.100 118.100 123.713 -5.613 18327 1248 1 5 . 1 1 47 47 ARG HA H 47 5.070 5.070 5.008 0.062 18327 1249 1 5 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.144 -0.084 18327 1250 1 5 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.086 -0.836 18327 1251 1 5 . 1 1 47 47 ARG H H 47 8.495 8.495 9.096 -0.601 18327 1252 1 5 . 1 1 48 48 GLY N N 48 114.000 114.000 114.417 -0.417 18327 1253 1 5 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.584 -0.024 18327 1254 1 5 . 1 1 48 48 GLY H H 48 9.183 9.183 9.020 0.163 18327 1255 1 5 . 1 1 49 49 TYR N N 49 116.200 116.200 116.904 -0.704 18327 1256 1 5 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.097 0.283 18327 1257 1 5 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.979 -1.869 18327 1258 1 5 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.270 0.480 18327 1259 1 5 . 1 1 49 49 TYR H H 49 8.199 8.199 8.466 -0.267 18327 1260 1 5 . 1 1 50 50 THR N N 50 112.200 112.200 112.561 -0.361 18327 1261 1 5 . 1 1 50 50 THR HA H 50 5.120 5.120 4.179 0.941 18327 1262 1 5 . 1 1 50 50 THR CA C 50 59.770 59.770 61.115 -1.345 18327 1263 1 5 . 1 1 50 50 THR CB C 50 69.460 69.460 69.731 -0.271 18327 1264 1 5 . 1 1 50 50 THR H H 50 9.436 9.436 8.689 0.747 18327 1265 1 5 . 1 1 51 51 LEU N N 51 121.300 121.300 120.218 1.082 18327 1266 1 5 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.314 -0.084 18327 1267 1 5 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.604 1.186 18327 1268 1 5 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.066 -2.066 18327 1269 1 5 . 1 1 51 51 LEU H H 51 8.313 8.313 8.072 0.241 18327 1270 1 5 . 1 1 52 52 ARG N N 52 116.600 116.600 119.033 -2.433 18327 1271 1 5 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.088 0.162 18327 1272 1 5 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.483 -0.133 18327 1273 1 5 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.509 0.001 18327 1274 1 5 . 1 1 52 52 ARG H H 52 8.053 8.053 8.155 -0.102 18327 1275 1 5 . 1 1 53 53 LYS N N 53 122.600 122.600 117.406 5.194 18327 1276 1 5 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.552 0.068 18327 1277 1 5 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.050 -0.430 18327 1278 1 5 . 1 1 53 53 LYS CB C 53 32.310 32.310 34.234 -1.924 18327 1279 1 5 . 1 1 53 53 LYS H H 53 7.655 7.655 7.427 0.228 18327 1280 1 5 . 1 1 54 54 LYS N N 54 124.900 124.900 125.606 -0.706 18327 1281 1 5 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.331 -0.241 18327 1282 1 5 . 1 1 54 54 LYS CA C 54 58.470 58.470 57.818 0.652 18327 1283 1 5 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.388 -0.258 18327 1284 1 5 . 1 1 54 54 LYS H H 54 8.499 8.499 8.712 -0.213 18327 1285 1 5 . 1 1 55 55 SER N N 55 110.100 110.100 113.049 -2.949 18327 1286 1 5 . 1 1 55 55 SER HA H 55 4.140 4.140 4.235 -0.095 18327 1287 1 5 . 1 1 55 55 SER CA C 55 58.470 58.470 60.142 -1.673 18327 1288 1 5 . 1 1 55 55 SER CB C 55 63.310 63.310 63.410 -0.100 18327 1289 1 5 . 1 1 55 55 SER H H 55 7.862 7.862 8.103 -0.241 18327 1290 1 5 . 1 1 56 56 LYS N N 56 124.000 124.000 120.711 3.289 18327 1291 1 5 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.499 0.201 18327 1292 1 5 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.203 -0.393 18327 1293 1 5 . 1 1 56 56 LYS CB C 56 33.250 33.250 34.124 -0.874 18327 1294 1 5 . 1 1 56 56 LYS H H 56 7.481 7.481 7.303 0.178 18327 1295 1 5 . 1 1 57 57 LYS N N 57 125.700 125.700 120.782 4.918 18327 1296 1 5 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.682 0.648 18327 1297 1 5 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.892 -0.272 18327 1298 1 5 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.524 -2.284 18327 1299 1 5 . 1 1 57 57 LYS H H 57 8.475 8.475 8.339 0.136 18327 1300 1 5 . 1 1 58 58 GLY N N 58 109.400 109.400 107.395 2.005 18327 1301 1 5 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.701 -0.081 18327 1302 1 5 . 1 1 58 58 GLY H H 58 9.073 9.073 8.643 0.430 18327 1303 1 5 . 1 1 59 59 ILE N N 59 113.900 113.900 116.889 -2.989 18327 1304 1 5 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.212 0.788 18327 1305 1 5 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.114 0.476 18327 1306 1 5 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.032 -0.892 18327 1307 1 5 . 1 1 59 59 ILE H H 59 8.628 8.628 8.223 0.405 18327 1308 1 5 . 1 1 60 60 PHE N N 60 116.900 116.900 114.308 2.592 18327 1309 1 5 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.169 -0.049 18327 1310 1 5 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.204 -1.144 18327 1311 1 5 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.480 -2.290 18327 1312 1 5 . 1 1 60 60 PHE H H 60 8.724 8.724 8.678 0.046 18327 1313 1 5 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.899 -0.419 18327 1314 1 5 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.089 0.111 18327 1315 1 5 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.856 -0.666 18327 1316 1 5 . 1 1 62 62 ALA N N 62 124.600 124.600 127.799 -3.199 18327 1317 1 5 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.410 -0.690 18327 1318 1 5 . 1 1 62 62 ALA CA C 62 54.370 54.370 55.258 -0.888 18327 1319 1 5 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.220 -0.570 18327 1320 1 5 . 1 1 62 62 ALA H H 62 7.898 7.898 8.601 -0.703 18327 1321 1 5 . 1 1 63 63 SER N N 63 109.700 109.700 114.232 -4.532 18327 1322 1 5 . 1 1 63 63 SER HA H 63 4.200 4.200 4.292 -0.092 18327 1323 1 5 . 1 1 63 63 SER CA C 63 59.400 59.400 60.712 -1.312 18327 1324 1 5 . 1 1 63 63 SER CB C 63 62.380 62.380 62.648 -0.268 18327 1325 1 5 . 1 1 63 63 SER H H 63 8.030 8.030 8.421 -0.391 18327 1326 1 5 . 1 1 64 64 TYR N N 64 120.300 120.300 117.358 2.942 18327 1327 1 5 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.420 -0.160 18327 1328 1 5 . 1 1 64 64 TYR CA C 64 57.720 57.720 59.203 -1.483 18327 1329 1 5 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.175 -0.615 18327 1330 1 5 . 1 1 64 64 TYR H H 64 7.124 7.124 7.968 -0.844 18327 1331 1 5 . 1 1 65 65 ILE N N 65 118.000 118.000 115.913 2.087 18327 1332 1 5 . 1 1 65 65 ILE HA H 65 4.830 4.830 5.116 -0.286 18327 1333 1 5 . 1 1 65 65 ILE CA C 65 56.980 56.980 58.419 -1.439 18327 1334 1 5 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.853 -0.223 18327 1335 1 5 . 1 1 65 65 ILE H H 65 7.671 7.671 7.465 0.206 18327 1336 1 5 . 1 1 66 66 HIS N N 66 124.500 124.500 123.608 0.892 18327 1337 1 5 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.927 0.203 18327 1338 1 5 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.147 -1.087 18327 1339 1 5 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.407 -2.897 18327 1340 1 5 . 1 1 66 66 HIS H H 66 9.159 9.159 8.850 0.309 18327 1341 1 5 . 1 1 67 67 LEU N N 67 127.400 127.400 128.527 -1.127 18327 1342 1 5 . 1 1 67 67 LEU HA H 67 4.560 4.560 5.017 -0.457 18327 1343 1 5 . 1 1 67 67 LEU CA C 67 55.300 55.300 54.660 0.639 18327 1344 1 5 . 1 1 67 67 LEU CB C 67 42.060 42.060 44.134 -2.074 18327 1345 1 5 . 1 1 67 67 LEU H H 67 8.979 8.979 8.946 0.033 18327 1346 1 5 . 1 1 68 68 LYS N N 68 121.900 121.900 121.529 0.371 18327 1347 1 5 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.573 -0.083 18327 1348 1 5 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.161 -0.051 18327 1349 1 5 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.099 0.511 18327 1350 1 5 . 1 1 68 68 LYS H H 68 8.499 8.499 8.928 -0.429 18327 1351 1 5 . 1 1 69 69 GLU N N 69 122.100 122.100 122.957 -0.857 18327 1352 1 5 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.193 0.097 18327 1353 1 5 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.672 -0.062 18327 1354 1 5 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.233 1.097 18327 1355 1 5 . 1 1 69 69 GLU H H 69 8.569 8.569 8.578 -0.009 18327 1356 1 5 . 1 1 70 70 ALA N N 70 123.300 123.300 125.064 -1.764 18327 1357 1 5 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.107 0.103 18327 1358 1 5 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.664 -0.854 18327 1359 1 5 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.680 1.020 18327 1360 1 5 . 1 1 70 70 ALA H H 70 8.181 8.181 8.579 -0.398 18327 1361 1 5 . 1 1 71 71 ILE N N 71 120.000 120.000 118.837 1.163 18327 1362 1 5 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.039 0.031 18327 1363 1 5 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.138 -0.808 18327 1364 1 5 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.554 0.135 18327 1365 1 5 . 1 1 71 71 ILE H H 71 7.789 7.789 8.212 -0.423 18327 1366 1 5 . 1 1 72 72 VAL N N 72 124.400 124.400 120.666 3.734 18327 1367 1 5 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.241 -0.171 18327 1368 1 5 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.788 -0.148 18327 1369 1 5 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.390 0.300 18327 1370 1 5 . 1 1 72 72 VAL H H 72 8.089 8.089 8.060 0.029 18327 1371 1 5 . 1 1 73 73 GLU N N 73 125.940 125.940 123.668 2.272 18327 1372 1 5 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.512 -0.212 18327 1373 1 5 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.881 0.729 18327 1374 1 5 . 1 1 73 73 GLU CB C 73 30.710 30.710 31.009 -0.299 18327 1375 1 5 . 1 1 73 73 GLU H H 73 8.464 8.464 8.563 -0.099 18327 1376 1 6 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.805 0.755 18327 1377 1 6 . 1 1 13 13 TYR CA C 13 55.860 55.860 57.291 -1.431 18327 1378 1 6 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.106 1.334 18327 1379 1 6 . 1 1 14 14 GLY N N 14 105.400 105.400 105.400 0.000 18327 1380 1 6 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.428 0.812 18327 1381 1 6 . 1 1 14 14 GLY H H 14 8.406 8.406 8.459 -0.053 18327 1382 1 6 . 1 1 15 15 VAL N N 15 118.900 118.900 119.931 -1.031 18327 1383 1 6 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.869 0.461 18327 1384 1 6 . 1 1 15 15 VAL CA C 15 59.210 59.210 59.719 -0.509 18327 1385 1 6 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.316 -0.576 18327 1386 1 6 . 1 1 15 15 VAL H H 15 8.854 8.854 8.204 0.650 18327 1387 1 6 . 1 1 16 16 ALA N N 16 129.400 129.400 125.921 3.479 18327 1388 1 6 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.919 0.081 18327 1389 1 6 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.956 1.044 18327 1390 1 6 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.777 -1.447 18327 1391 1 6 . 1 1 16 16 ALA H H 16 9.112 9.112 9.186 -0.074 18327 1392 1 6 . 1 1 17 17 PHE N N 17 123.900 123.900 124.733 -0.833 18327 1393 1 6 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.682 0.058 18327 1394 1 6 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.181 -0.951 18327 1395 1 6 . 1 1 17 17 PHE CB C 17 40.000 40.000 41.184 -1.184 18327 1396 1 6 . 1 1 17 17 PHE H H 17 8.785 8.785 8.481 0.304 18327 1397 1 6 . 1 1 18 18 TYR N N 18 118.100 118.100 118.917 -0.817 18327 1398 1 6 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.519 -0.029 18327 1399 1 6 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.687 -2.387 18327 1400 1 6 . 1 1 18 18 TYR CB C 18 42.810 42.810 40.919 1.891 18327 1401 1 6 . 1 1 18 18 TYR H H 18 7.288 7.288 7.728 -0.440 18327 1402 1 6 . 1 1 19 19 ASN N N 19 116.800 116.800 121.128 -4.328 18327 1403 1 6 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.885 -0.175 18327 1404 1 6 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.891 -0.951 18327 1405 1 6 . 1 1 19 19 ASN CB C 19 39.060 39.060 40.230 -1.170 18327 1406 1 6 . 1 1 19 19 ASN H H 19 8.122 8.122 8.654 -0.532 18327 1407 1 6 . 1 1 20 20 TYR N N 20 122.000 122.000 122.090 -0.090 18327 1408 1 6 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.640 0.070 18327 1409 1 6 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.340 -0.620 18327 1410 1 6 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.281 -0.031 18327 1411 1 6 . 1 1 20 20 TYR H H 20 8.994 8.994 8.366 0.628 18327 1412 1 6 . 1 1 21 21 ASP N N 21 128.500 128.500 121.106 7.394 18327 1413 1 6 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.948 -0.158 18327 1414 1 6 . 1 1 21 21 ASP CA C 21 52.370 52.370 53.182 -0.812 18327 1415 1 6 . 1 1 21 21 ASP CB C 21 41.130 41.130 44.432 -3.302 18327 1416 1 6 . 1 1 21 21 ASP H H 21 7.839 7.839 7.932 -0.093 18327 1417 1 6 . 1 1 22 22 ALA N N 22 125.200 125.200 122.510 2.690 18327 1418 1 6 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.504 -0.454 18327 1419 1 6 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.095 -0.155 18327 1420 1 6 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.830 0.620 18327 1421 1 6 . 1 1 22 22 ALA H H 22 8.107 8.107 8.467 -0.360 18327 1422 1 6 . 1 1 23 23 ARG N N 23 122.200 122.200 118.987 3.213 18327 1423 1 6 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.499 -0.149 18327 1424 1 6 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.183 -0.693 18327 1425 1 6 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.603 0.097 18327 1426 1 6 . 1 1 23 23 ARG H H 23 8.889 8.889 8.764 0.125 18327 1427 1 6 . 1 1 24 24 GLY N N 24 105.200 105.200 107.337 -2.137 18327 1428 1 6 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.688 -0.188 18327 1429 1 6 . 1 1 24 24 GLY H H 24 7.267 7.267 7.605 -0.338 18327 1430 1 6 . 1 1 25 25 ALA N N 25 122.200 122.200 121.442 0.758 18327 1431 1 6 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.364 -0.204 18327 1432 1 6 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.999 0.441 18327 1433 1 6 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.130 -0.360 18327 1434 1 6 . 1 1 25 25 ALA H H 25 8.621 8.621 8.488 0.133 18327 1435 1 6 . 1 1 26 26 ASP N N 26 114.700 114.700 119.545 -4.845 18327 1436 1 6 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.725 -0.025 18327 1437 1 6 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.323 0.547 18327 1438 1 6 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.562 -0.173 18327 1439 1 6 . 1 1 26 26 ASP H H 26 8.949 8.949 8.523 0.426 18327 1440 1 6 . 1 1 27 27 GLU N N 27 118.800 118.800 118.016 0.784 18327 1441 1 6 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.921 0.299 18327 1442 1 6 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.706 0.224 18327 1443 1 6 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.750 1.130 18327 1444 1 6 . 1 1 27 27 GLU H H 27 7.542 7.542 7.536 0.006 18327 1445 1 6 . 1 1 28 28 LEU N N 28 121.400 121.400 119.647 1.753 18327 1446 1 6 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.732 0.028 18327 1447 1 6 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.707 -0.587 18327 1448 1 6 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.151 -0.651 18327 1449 1 6 . 1 1 28 28 LEU H H 28 8.897 8.897 8.477 0.420 18327 1450 1 6 . 1 1 29 29 SER N N 29 115.700 115.700 117.229 -1.529 18327 1451 1 6 . 1 1 29 29 SER HA H 29 5.030 5.030 4.949 0.081 18327 1452 1 6 . 1 1 29 29 SER CA C 29 58.470 58.470 57.904 0.566 18327 1453 1 6 . 1 1 29 29 SER CB C 29 63.690 63.690 64.539 -0.849 18327 1454 1 6 . 1 1 29 29 SER H H 29 7.949 7.949 8.323 -0.374 18327 1455 1 6 . 1 1 30 30 LEU N N 30 121.300 121.300 119.212 2.088 18327 1456 1 6 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.655 0.145 18327 1457 1 6 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.328 -2.388 18327 1458 1 6 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.231 0.139 18327 1459 1 6 . 1 1 30 30 LEU H H 30 9.503 9.503 8.729 0.774 18327 1460 1 6 . 1 1 31 31 GLN N N 31 123.100 123.100 120.500 2.600 18327 1461 1 6 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.676 0.394 18327 1462 1 6 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.284 -1.344 18327 1463 1 6 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.738 -1.548 18327 1464 1 6 . 1 1 31 31 GLN H H 31 9.152 9.152 8.401 0.751 18327 1465 1 6 . 1 1 32 32 ILE N N 32 120.800 120.800 120.754 0.046 18327 1466 1 6 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.925 -0.895 18327 1467 1 6 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.681 1.569 18327 1468 1 6 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.486 0.454 18327 1469 1 6 . 1 1 32 32 ILE H H 32 8.019 8.019 8.569 -0.550 18327 1470 1 6 . 1 1 33 33 GLY N N 33 115.700 115.700 114.109 1.591 18327 1471 1 6 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.817 -0.317 18327 1472 1 6 . 1 1 33 33 GLY H H 33 8.777 8.777 8.668 0.109 18327 1473 1 6 . 1 1 34 34 ASP N N 34 122.300 122.300 122.444 -0.144 18327 1474 1 6 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.881 -0.241 18327 1475 1 6 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.181 1.679 18327 1476 1 6 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.587 -1.277 18327 1477 1 6 . 1 1 34 34 ASP H H 34 8.690 8.690 7.758 0.932 18327 1478 1 6 . 1 1 35 35 THR N N 35 117.900 117.900 116.553 1.347 18327 1479 1 6 . 1 1 35 35 THR HA H 35 5.160 5.160 5.085 0.075 18327 1480 1 6 . 1 1 35 35 THR CA C 35 61.450 61.450 61.967 -0.517 18327 1481 1 6 . 1 1 35 35 THR CB C 35 69.090 69.090 70.204 -1.114 18327 1482 1 6 . 1 1 35 35 THR H H 35 8.389 8.389 8.482 -0.093 18327 1483 1 6 . 1 1 36 36 VAL N N 36 118.200 118.200 116.889 1.311 18327 1484 1 6 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.512 0.588 18327 1485 1 6 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.395 -2.485 18327 1486 1 6 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.510 -0.320 18327 1487 1 6 . 1 1 36 36 VAL H H 36 9.019 9.019 9.101 -0.082 18327 1488 1 6 . 1 1 37 37 HIS N N 37 122.100 122.100 118.847 3.253 18327 1489 1 6 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.930 -0.090 18327 1490 1 6 . 1 1 37 37 HIS CA C 37 52.560 52.560 55.123 -2.563 18327 1491 1 6 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.030 -1.770 18327 1492 1 6 . 1 1 37 37 HIS H H 37 8.489 8.489 8.100 0.389 18327 1493 1 6 . 1 1 38 38 ILE N N 38 126.400 126.400 125.422 0.978 18327 1494 1 6 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.015 -0.235 18327 1495 1 6 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.620 1.020 18327 1496 1 6 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.908 -0.028 18327 1497 1 6 . 1 1 38 38 ILE H H 38 8.636 8.636 8.299 0.337 18327 1498 1 6 . 1 1 39 39 LEU N N 39 126.000 126.000 125.199 0.801 18327 1499 1 6 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.665 -0.265 18327 1500 1 6 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.944 0.546 18327 1501 1 6 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.380 -0.631 18327 1502 1 6 . 1 1 39 39 LEU H H 39 9.162 9.162 8.045 1.117 18327 1503 1 6 . 1 1 40 40 GLU N N 40 115.100 115.100 116.415 -1.315 18327 1504 1 6 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.675 3.220 18327 1505 1 6 . 1 1 41 41 THR N N 41 116.400 116.400 109.774 6.626 18327 1506 1 6 . 1 1 41 41 THR HA H 41 4.270 4.270 4.846 -0.576 18327 1507 1 6 . 1 1 41 41 THR CA C 41 60.890 60.890 60.037 0.853 18327 1508 1 6 . 1 1 41 41 THR CB C 41 69.650 69.650 70.701 -1.050 18327 1509 1 6 . 1 1 41 41 THR H H 41 8.162 8.162 8.250 -0.088 18327 1510 1 6 . 1 1 43 43 GLU N N 43 123.300 123.300 120.055 3.245 18327 1511 1 6 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.367 -0.097 18327 1512 1 6 . 1 1 43 43 GLU CA C 43 57.350 57.350 57.288 0.062 18327 1513 1 6 . 1 1 43 43 GLU CB C 43 26.790 26.790 30.111 -3.321 18327 1514 1 6 . 1 1 43 43 GLU H H 43 8.108 8.108 8.578 -0.470 18327 1515 1 6 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.568 -0.128 18327 1516 1 6 . 1 1 45 45 TRP N N 45 124.100 124.100 120.881 3.219 18327 1517 1 6 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.742 -0.052 18327 1518 1 6 . 1 1 45 45 TRP H H 45 8.590 8.590 7.330 1.260 18327 1519 1 6 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.554 1.046 18327 1520 1 6 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.000 -2.940 18327 1521 1 6 . 1 1 46 46 TYR CB C 46 42.060 42.060 42.365 -0.305 18327 1522 1 6 . 1 1 47 47 ARG N N 47 118.100 118.100 122.834 -4.734 18327 1523 1 6 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.838 0.232 18327 1524 1 6 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.579 -0.519 18327 1525 1 6 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.549 -0.299 18327 1526 1 6 . 1 1 47 47 ARG H H 47 8.495 8.495 9.111 -0.616 18327 1527 1 6 . 1 1 48 48 GLY N N 48 114.000 114.000 114.458 -0.458 18327 1528 1 6 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.386 0.174 18327 1529 1 6 . 1 1 48 48 GLY H H 48 9.183 9.183 8.853 0.330 18327 1530 1 6 . 1 1 49 49 TYR N N 49 116.200 116.200 116.574 -0.374 18327 1531 1 6 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.148 0.232 18327 1532 1 6 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.757 -1.647 18327 1533 1 6 . 1 1 49 49 TYR CB C 49 40.750 40.750 40.463 0.287 18327 1534 1 6 . 1 1 49 49 TYR H H 49 8.199 8.199 8.731 -0.532 18327 1535 1 6 . 1 1 50 50 THR N N 50 112.200 112.200 112.910 -0.710 18327 1536 1 6 . 1 1 50 50 THR HA H 50 5.120 5.120 4.244 0.876 18327 1537 1 6 . 1 1 50 50 THR CA C 50 59.770 59.770 60.690 -0.920 18327 1538 1 6 . 1 1 50 50 THR CB C 50 69.460 69.460 70.035 -0.575 18327 1539 1 6 . 1 1 50 50 THR H H 50 9.436 9.436 8.969 0.467 18327 1540 1 6 . 1 1 51 51 LEU N N 51 121.300 121.300 120.460 0.840 18327 1541 1 6 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.285 -0.055 18327 1542 1 6 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.430 0.360 18327 1543 1 6 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.963 -1.963 18327 1544 1 6 . 1 1 51 51 LEU H H 51 8.313 8.313 8.018 0.295 18327 1545 1 6 . 1 1 52 52 ARG N N 52 116.600 116.600 116.866 -0.266 18327 1546 1 6 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.194 0.056 18327 1547 1 6 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.544 -0.194 18327 1548 1 6 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.907 -0.397 18327 1549 1 6 . 1 1 52 52 ARG H H 52 8.053 8.053 8.252 -0.199 18327 1550 1 6 . 1 1 53 53 LYS N N 53 122.600 122.600 118.919 3.681 18327 1551 1 6 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.579 0.041 18327 1552 1 6 . 1 1 53 53 LYS CA C 53 54.620 54.620 54.906 -0.286 18327 1553 1 6 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.662 -1.352 18327 1554 1 6 . 1 1 53 53 LYS H H 53 7.655 7.655 7.496 0.159 18327 1555 1 6 . 1 1 54 54 LYS N N 54 124.900 124.900 125.525 -0.625 18327 1556 1 6 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.328 -0.238 18327 1557 1 6 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.304 0.166 18327 1558 1 6 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.168 -0.038 18327 1559 1 6 . 1 1 54 54 LYS H H 54 8.499 8.499 8.669 -0.170 18327 1560 1 6 . 1 1 55 55 SER N N 55 110.100 110.100 113.428 -3.328 18327 1561 1 6 . 1 1 55 55 SER HA H 55 4.140 4.140 4.234 -0.094 18327 1562 1 6 . 1 1 55 55 SER CA C 55 58.470 58.470 60.177 -1.707 18327 1563 1 6 . 1 1 55 55 SER CB C 55 63.310 63.310 63.064 0.246 18327 1564 1 6 . 1 1 55 55 SER H H 55 7.862 7.862 8.152 -0.290 18327 1565 1 6 . 1 1 56 56 LYS N N 56 124.000 124.000 121.796 2.204 18327 1566 1 6 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.417 0.283 18327 1567 1 6 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.418 -0.608 18327 1568 1 6 . 1 1 56 56 LYS CB C 56 33.250 33.250 31.939 1.311 18327 1569 1 6 . 1 1 56 56 LYS H H 56 7.481 7.481 8.083 -0.602 18327 1570 1 6 . 1 1 57 57 LYS N N 57 125.700 125.700 122.348 3.352 18327 1571 1 6 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.520 0.810 18327 1572 1 6 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.405 -0.785 18327 1573 1 6 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.749 -0.509 18327 1574 1 6 . 1 1 57 57 LYS H H 57 8.475 8.475 7.797 0.678 18327 1575 1 6 . 1 1 58 58 GLY N N 58 109.400 109.400 106.151 3.249 18327 1576 1 6 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.481 0.139 18327 1577 1 6 . 1 1 58 58 GLY H H 58 9.073 9.073 8.797 0.276 18327 1578 1 6 . 1 1 59 59 ILE N N 59 113.900 113.900 116.533 -2.633 18327 1579 1 6 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.740 1.260 18327 1580 1 6 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.436 0.154 18327 1581 1 6 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.855 -0.715 18327 1582 1 6 . 1 1 59 59 ILE H H 59 8.628 8.628 8.179 0.449 18327 1583 1 6 . 1 1 60 60 PHE N N 60 116.900 116.900 114.092 2.808 18327 1584 1 6 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.089 0.031 18327 1585 1 6 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.137 -1.077 18327 1586 1 6 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.184 -1.994 18327 1587 1 6 . 1 1 60 60 PHE H H 60 8.724 8.724 8.229 0.495 18327 1588 1 6 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.711 -0.231 18327 1589 1 6 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.020 0.180 18327 1590 1 6 . 1 1 61 61 PRO CB C 61 31.190 31.190 30.881 0.309 18327 1591 1 6 . 1 1 62 62 ALA N N 62 124.600 124.600 128.355 -3.755 18327 1592 1 6 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.310 -0.590 18327 1593 1 6 . 1 1 62 62 ALA CA C 62 54.370 54.370 55.093 -0.723 18327 1594 1 6 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.078 -0.428 18327 1595 1 6 . 1 1 62 62 ALA H H 62 7.898 7.898 8.516 -0.618 18327 1596 1 6 . 1 1 63 63 SER N N 63 109.700 109.700 113.649 -3.949 18327 1597 1 6 . 1 1 63 63 SER HA H 63 4.200 4.200 4.227 -0.027 18327 1598 1 6 . 1 1 63 63 SER CA C 63 59.400 59.400 60.524 -1.124 18327 1599 1 6 . 1 1 63 63 SER CB C 63 62.380 62.380 62.846 -0.466 18327 1600 1 6 . 1 1 63 63 SER H H 63 8.030 8.030 8.455 -0.425 18327 1601 1 6 . 1 1 64 64 TYR N N 64 120.300 120.300 117.018 3.282 18327 1602 1 6 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.453 -0.193 18327 1603 1 6 . 1 1 64 64 TYR CA C 64 57.720 57.720 58.747 -1.027 18327 1604 1 6 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.255 -0.695 18327 1605 1 6 . 1 1 64 64 TYR H H 64 7.124 7.124 7.941 -0.817 18327 1606 1 6 . 1 1 65 65 ILE N N 65 118.000 118.000 116.747 1.253 18327 1607 1 6 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.924 -0.094 18327 1608 1 6 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.225 -2.245 18327 1609 1 6 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.220 0.410 18327 1610 1 6 . 1 1 65 65 ILE H H 65 7.671 7.671 7.301 0.370 18327 1611 1 6 . 1 1 66 66 HIS N N 66 124.500 124.500 121.719 2.781 18327 1612 1 6 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.916 0.214 18327 1613 1 6 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.793 -1.733 18327 1614 1 6 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.458 -1.948 18327 1615 1 6 . 1 1 66 66 HIS H H 66 9.159 9.159 8.823 0.336 18327 1616 1 6 . 1 1 67 67 LEU N N 67 127.400 127.400 128.265 -0.865 18327 1617 1 6 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.735 -0.175 18327 1618 1 6 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.246 0.054 18327 1619 1 6 . 1 1 67 67 LEU CB C 67 42.060 42.060 43.156 -1.096 18327 1620 1 6 . 1 1 67 67 LEU H H 67 8.979 8.979 8.939 0.040 18327 1621 1 6 . 1 1 68 68 LYS N N 68 121.900 121.900 123.705 -1.805 18327 1622 1 6 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.456 0.034 18327 1623 1 6 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.353 -0.243 18327 1624 1 6 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.125 1.485 18327 1625 1 6 . 1 1 68 68 LYS H H 68 8.499 8.499 9.016 -0.517 18327 1626 1 6 . 1 1 69 69 GLU N N 69 122.100 122.100 125.498 -3.398 18327 1627 1 6 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.023 0.267 18327 1628 1 6 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.757 -1.147 18327 1629 1 6 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.927 0.403 18327 1630 1 6 . 1 1 69 69 GLU H H 69 8.569 8.569 8.431 0.138 18327 1631 1 6 . 1 1 70 70 ALA N N 70 123.300 123.300 126.632 -3.332 18327 1632 1 6 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.165 0.045 18327 1633 1 6 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.690 -0.880 18327 1634 1 6 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.144 1.556 18327 1635 1 6 . 1 1 70 70 ALA H H 70 8.181 8.181 8.560 -0.379 18327 1636 1 6 . 1 1 71 71 ILE N N 71 120.000 120.000 120.597 -0.597 18327 1637 1 6 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.151 -0.081 18327 1638 1 6 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.223 -0.893 18327 1639 1 6 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.410 -0.720 18327 1640 1 6 . 1 1 71 71 ILE H H 71 7.789 7.789 8.256 -0.467 18327 1641 1 6 . 1 1 72 72 VAL N N 72 124.400 124.400 120.614 3.786 18327 1642 1 6 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.349 -0.279 18327 1643 1 6 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.880 -0.240 18327 1644 1 6 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.919 -0.229 18327 1645 1 6 . 1 1 72 72 VAL H H 72 8.089 8.089 8.305 -0.216 18327 1646 1 6 . 1 1 73 73 GLU N N 73 125.940 125.940 122.894 3.046 18327 1647 1 6 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.695 -0.395 18327 1648 1 6 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.252 1.357 18327 1649 1 6 . 1 1 73 73 GLU CB C 73 30.710 30.710 31.436 -0.726 18327 1650 1 6 . 1 1 73 73 GLU H H 73 8.464 8.464 8.464 -0.000 18327 1651 1 7 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.568 0.992 18327 1652 1 7 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.959 -0.098 18327 1653 1 7 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.657 1.783 18327 1654 1 7 . 1 1 14 14 GLY N N 14 105.400 105.400 105.951 -0.551 18327 1655 1 7 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.613 1.627 18327 1656 1 7 . 1 1 14 14 GLY H H 14 8.406 8.406 8.477 -0.071 18327 1657 1 7 . 1 1 15 15 VAL N N 15 118.900 118.900 120.691 -1.791 18327 1658 1 7 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.766 0.564 18327 1659 1 7 . 1 1 15 15 VAL CA C 15 59.210 59.210 59.846 -0.636 18327 1660 1 7 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.131 0.609 18327 1661 1 7 . 1 1 15 15 VAL H H 15 8.854 8.854 8.262 0.592 18327 1662 1 7 . 1 1 16 16 ALA N N 16 129.400 129.400 126.797 2.603 18327 1663 1 7 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.685 0.315 18327 1664 1 7 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.916 1.084 18327 1665 1 7 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.648 -1.318 18327 1666 1 7 . 1 1 16 16 ALA H H 16 9.112 9.112 9.005 0.107 18327 1667 1 7 . 1 1 17 17 PHE N N 17 123.900 123.900 123.356 0.544 18327 1668 1 7 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.615 0.125 18327 1669 1 7 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.340 -1.111 18327 1670 1 7 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.858 -0.858 18327 1671 1 7 . 1 1 17 17 PHE H H 17 8.785 8.785 8.393 0.392 18327 1672 1 7 . 1 1 18 18 TYR N N 18 118.100 118.100 119.136 -1.036 18327 1673 1 7 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.448 0.042 18327 1674 1 7 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.687 -2.387 18327 1675 1 7 . 1 1 18 18 TYR CB C 18 42.810 42.810 40.792 2.018 18327 1676 1 7 . 1 1 18 18 TYR H H 18 7.288 7.288 7.674 -0.386 18327 1677 1 7 . 1 1 19 19 ASN N N 19 116.800 116.800 121.427 -4.627 18327 1678 1 7 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.852 -0.142 18327 1679 1 7 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.001 -0.061 18327 1680 1 7 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.553 -0.493 18327 1681 1 7 . 1 1 19 19 ASN H H 19 8.122 8.122 8.506 -0.384 18327 1682 1 7 . 1 1 20 20 TYR N N 20 122.000 122.000 124.624 -2.624 18327 1683 1 7 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.712 -0.002 18327 1684 1 7 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.019 -0.299 18327 1685 1 7 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.488 -0.238 18327 1686 1 7 . 1 1 20 20 TYR H H 20 8.994 8.994 8.866 0.128 18327 1687 1 7 . 1 1 21 21 ASP N N 21 128.500 128.500 121.526 6.974 18327 1688 1 7 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.760 0.030 18327 1689 1 7 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.479 -0.109 18327 1690 1 7 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.782 -2.652 18327 1691 1 7 . 1 1 21 21 ASP H H 21 7.839 7.839 7.620 0.219 18327 1692 1 7 . 1 1 22 22 ALA N N 22 125.200 125.200 121.299 3.901 18327 1693 1 7 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.349 -0.299 18327 1694 1 7 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.230 0.710 18327 1695 1 7 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.769 0.681 18327 1696 1 7 . 1 1 22 22 ALA H H 22 8.107 8.107 7.987 0.120 18327 1697 1 7 . 1 1 23 23 ARG N N 23 122.200 122.200 121.318 0.882 18327 1698 1 7 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.059 0.291 18327 1699 1 7 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.528 -2.038 18327 1700 1 7 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.744 -0.044 18327 1701 1 7 . 1 1 23 23 ARG H H 23 8.889 8.889 8.826 0.063 18327 1702 1 7 . 1 1 24 24 GLY N N 24 105.200 105.200 104.089 1.111 18327 1703 1 7 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.662 -0.162 18327 1704 1 7 . 1 1 24 24 GLY H H 24 7.267 7.267 7.435 -0.168 18327 1705 1 7 . 1 1 25 25 ALA N N 25 122.200 122.200 121.245 0.955 18327 1706 1 7 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.246 -0.086 18327 1707 1 7 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.903 0.537 18327 1708 1 7 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.022 -0.252 18327 1709 1 7 . 1 1 25 25 ALA H H 25 8.621 8.621 8.312 0.309 18327 1710 1 7 . 1 1 26 26 ASP N N 26 114.700 114.700 119.669 -4.969 18327 1711 1 7 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.753 -0.053 18327 1712 1 7 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.866 0.004 18327 1713 1 7 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.601 -0.211 18327 1714 1 7 . 1 1 26 26 ASP H H 26 8.949 8.949 8.525 0.424 18327 1715 1 7 . 1 1 27 27 GLU N N 27 118.800 118.800 117.011 1.789 18327 1716 1 7 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.899 0.321 18327 1717 1 7 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.364 0.566 18327 1718 1 7 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.712 0.168 18327 1719 1 7 . 1 1 27 27 GLU H H 27 7.542 7.542 7.623 -0.081 18327 1720 1 7 . 1 1 28 28 LEU N N 28 121.400 121.400 120.881 0.519 18327 1721 1 7 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.778 -0.018 18327 1722 1 7 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.108 -0.988 18327 1723 1 7 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.615 -1.115 18327 1724 1 7 . 1 1 28 28 LEU H H 28 8.897 8.897 8.218 0.679 18327 1725 1 7 . 1 1 29 29 SER N N 29 115.700 115.700 119.559 -3.859 18327 1726 1 7 . 1 1 29 29 SER HA H 29 5.030 5.030 5.016 0.014 18327 1727 1 7 . 1 1 29 29 SER CA C 29 58.470 58.470 58.880 -0.410 18327 1728 1 7 . 1 1 29 29 SER CB C 29 63.690 63.690 64.123 -0.433 18327 1729 1 7 . 1 1 29 29 SER H H 29 7.949 7.949 8.428 -0.479 18327 1730 1 7 . 1 1 30 30 LEU N N 30 121.300 121.300 120.506 0.794 18327 1731 1 7 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.561 0.239 18327 1732 1 7 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.328 -2.388 18327 1733 1 7 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.318 0.052 18327 1734 1 7 . 1 1 30 30 LEU H H 30 9.503 9.503 8.763 0.740 18327 1735 1 7 . 1 1 31 31 GLN N N 31 123.100 123.100 120.541 2.559 18327 1736 1 7 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.870 0.200 18327 1737 1 7 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.041 -1.101 18327 1738 1 7 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.571 -1.381 18327 1739 1 7 . 1 1 31 31 GLN H H 31 9.152 9.152 8.304 0.848 18327 1740 1 7 . 1 1 32 32 ILE N N 32 120.800 120.800 121.300 -0.500 18327 1741 1 7 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.779 -0.749 18327 1742 1 7 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.593 1.657 18327 1743 1 7 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.469 0.471 18327 1744 1 7 . 1 1 32 32 ILE H H 32 8.019 8.019 8.681 -0.662 18327 1745 1 7 . 1 1 33 33 GLY N N 33 115.700 115.700 114.114 1.586 18327 1746 1 7 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.742 -0.242 18327 1747 1 7 . 1 1 33 33 GLY H H 33 8.777 8.777 8.442 0.335 18327 1748 1 7 . 1 1 34 34 ASP N N 34 122.300 122.300 121.876 0.424 18327 1749 1 7 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.879 -0.239 18327 1750 1 7 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.661 2.199 18327 1751 1 7 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.770 -1.460 18327 1752 1 7 . 1 1 34 34 ASP H H 34 8.690 8.690 7.654 1.036 18327 1753 1 7 . 1 1 35 35 THR N N 35 117.900 117.900 115.371 2.529 18327 1754 1 7 . 1 1 35 35 THR HA H 35 5.160 5.160 5.170 -0.010 18327 1755 1 7 . 1 1 35 35 THR CA C 35 61.450 61.450 61.499 -0.049 18327 1756 1 7 . 1 1 35 35 THR CB C 35 69.090 69.090 70.925 -1.835 18327 1757 1 7 . 1 1 35 35 THR H H 35 8.389 8.389 8.298 0.091 18327 1758 1 7 . 1 1 36 36 VAL N N 36 118.200 118.200 117.820 0.380 18327 1759 1 7 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.787 0.313 18327 1760 1 7 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.753 -1.843 18327 1761 1 7 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.367 -0.177 18327 1762 1 7 . 1 1 36 36 VAL H H 36 9.019 9.019 8.974 0.045 18327 1763 1 7 . 1 1 37 37 HIS N N 37 122.100 122.100 119.916 2.184 18327 1764 1 7 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.971 -0.131 18327 1765 1 7 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.071 -1.511 18327 1766 1 7 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.227 -1.967 18327 1767 1 7 . 1 1 37 37 HIS H H 37 8.489 8.489 8.778 -0.289 18327 1768 1 7 . 1 1 38 38 ILE N N 38 126.400 126.400 126.414 -0.014 18327 1769 1 7 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.473 -0.693 18327 1770 1 7 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.868 0.772 18327 1771 1 7 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.520 0.360 18327 1772 1 7 . 1 1 38 38 ILE H H 38 8.636 8.636 8.950 -0.314 18327 1773 1 7 . 1 1 39 39 LEU N N 39 126.000 126.000 127.379 -1.379 18327 1774 1 7 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.606 -0.206 18327 1775 1 7 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.425 0.065 18327 1776 1 7 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.042 0.708 18327 1777 1 7 . 1 1 39 39 LEU H H 39 9.162 9.162 8.697 0.465 18327 1778 1 7 . 1 1 40 40 GLU N N 40 115.100 115.100 117.060 -1.960 18327 1779 1 7 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.692 3.203 18327 1780 1 7 . 1 1 41 41 THR N N 41 116.400 116.400 113.095 3.305 18327 1781 1 7 . 1 1 41 41 THR HA H 41 4.270 4.270 4.707 -0.437 18327 1782 1 7 . 1 1 41 41 THR CA C 41 60.890 60.890 61.528 -0.638 18327 1783 1 7 . 1 1 41 41 THR CB C 41 69.650 69.650 69.665 -0.015 18327 1784 1 7 . 1 1 41 41 THR H H 41 8.162 8.162 8.499 -0.337 18327 1785 1 7 . 1 1 43 43 GLU N N 43 123.300 123.300 122.724 0.576 18327 1786 1 7 . 1 1 43 43 GLU HA H 43 4.270 4.270 3.718 0.552 18327 1787 1 7 . 1 1 43 43 GLU CA C 43 57.350 57.350 56.923 0.426 18327 1788 1 7 . 1 1 43 43 GLU CB C 43 26.790 26.790 28.809 -2.019 18327 1789 1 7 . 1 1 43 43 GLU H H 43 8.108 8.108 8.458 -0.350 18327 1790 1 7 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.408 0.032 18327 1791 1 7 . 1 1 45 45 TRP N N 45 124.100 124.100 119.143 4.957 18327 1792 1 7 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.732 -0.042 18327 1793 1 7 . 1 1 45 45 TRP H H 45 8.590 8.590 7.548 1.042 18327 1794 1 7 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.724 0.876 18327 1795 1 7 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.014 -2.954 18327 1796 1 7 . 1 1 46 46 TYR CB C 46 42.060 42.060 42.828 -0.768 18327 1797 1 7 . 1 1 47 47 ARG N N 47 118.100 118.100 119.957 -1.857 18327 1798 1 7 . 1 1 47 47 ARG HA H 47 5.070 5.070 5.066 0.004 18327 1799 1 7 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.251 -0.191 18327 1800 1 7 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.874 -1.624 18327 1801 1 7 . 1 1 47 47 ARG H H 47 8.495 8.495 8.878 -0.383 18327 1802 1 7 . 1 1 48 48 GLY N N 48 114.000 114.000 113.431 0.569 18327 1803 1 7 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.294 0.266 18327 1804 1 7 . 1 1 48 48 GLY H H 48 9.183 9.183 9.156 0.027 18327 1805 1 7 . 1 1 49 49 TYR N N 49 116.200 116.200 115.809 0.391 18327 1806 1 7 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.238 0.142 18327 1807 1 7 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.770 -1.659 18327 1808 1 7 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.743 1.007 18327 1809 1 7 . 1 1 49 49 TYR H H 49 8.199 8.199 8.492 -0.293 18327 1810 1 7 . 1 1 50 50 THR N N 50 112.200 112.200 111.461 0.739 18327 1811 1 7 . 1 1 50 50 THR HA H 50 5.120 5.120 4.326 0.794 18327 1812 1 7 . 1 1 50 50 THR CA C 50 59.770 59.770 60.495 -0.724 18327 1813 1 7 . 1 1 50 50 THR CB C 50 69.460 69.460 69.948 -0.488 18327 1814 1 7 . 1 1 50 50 THR H H 50 9.436 9.436 8.290 1.146 18327 1815 1 7 . 1 1 51 51 LEU N N 51 121.300 121.300 120.430 0.870 18327 1816 1 7 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.260 -0.030 18327 1817 1 7 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.870 0.920 18327 1818 1 7 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.210 -2.210 18327 1819 1 7 . 1 1 51 51 LEU H H 51 8.313 8.313 8.005 0.308 18327 1820 1 7 . 1 1 52 52 ARG N N 52 116.600 116.600 117.593 -0.993 18327 1821 1 7 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.145 0.105 18327 1822 1 7 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.153 0.197 18327 1823 1 7 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.690 -0.180 18327 1824 1 7 . 1 1 52 52 ARG H H 52 8.053 8.053 7.563 0.490 18327 1825 1 7 . 1 1 53 53 LYS N N 53 122.600 122.600 117.884 4.716 18327 1826 1 7 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.580 0.040 18327 1827 1 7 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.120 -0.500 18327 1828 1 7 . 1 1 53 53 LYS CB C 53 32.310 32.310 32.525 -0.215 18327 1829 1 7 . 1 1 53 53 LYS H H 53 7.655 7.655 7.898 -0.243 18327 1830 1 7 . 1 1 54 54 LYS N N 54 124.900 124.900 125.693 -0.793 18327 1831 1 7 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.352 -0.262 18327 1832 1 7 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.446 0.024 18327 1833 1 7 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.721 -0.591 18327 1834 1 7 . 1 1 54 54 LYS H H 54 8.499 8.499 8.868 -0.369 18327 1835 1 7 . 1 1 55 55 SER N N 55 110.100 110.100 112.953 -2.853 18327 1836 1 7 . 1 1 55 55 SER HA H 55 4.140 4.140 4.435 -0.295 18327 1837 1 7 . 1 1 55 55 SER CA C 55 58.470 58.470 58.597 -0.127 18327 1838 1 7 . 1 1 55 55 SER CB C 55 63.310 63.310 63.361 -0.051 18327 1839 1 7 . 1 1 55 55 SER H H 55 7.862 7.862 7.942 -0.080 18327 1840 1 7 . 1 1 56 56 LYS N N 56 124.000 124.000 122.687 1.313 18327 1841 1 7 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.554 0.146 18327 1842 1 7 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.355 -0.545 18327 1843 1 7 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.138 0.112 18327 1844 1 7 . 1 1 56 56 LYS H H 56 7.481 7.481 7.457 0.024 18327 1845 1 7 . 1 1 57 57 LYS N N 57 125.700 125.700 122.334 3.366 18327 1846 1 7 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.857 0.473 18327 1847 1 7 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.439 -0.819 18327 1848 1 7 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.423 -0.183 18327 1849 1 7 . 1 1 57 57 LYS H H 57 8.475 8.475 8.350 0.125 18327 1850 1 7 . 1 1 58 58 GLY N N 58 109.400 109.400 108.168 1.232 18327 1851 1 7 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.604 0.016 18327 1852 1 7 . 1 1 58 58 GLY H H 58 9.073 9.073 8.660 0.413 18327 1853 1 7 . 1 1 59 59 ILE N N 59 113.900 113.900 116.876 -2.976 18327 1854 1 7 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.952 1.048 18327 1855 1 7 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.197 0.393 18327 1856 1 7 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.973 -0.833 18327 1857 1 7 . 1 1 59 59 ILE H H 59 8.628 8.628 8.338 0.290 18327 1858 1 7 . 1 1 60 60 PHE N N 60 116.900 116.900 114.204 2.696 18327 1859 1 7 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.207 -0.087 18327 1860 1 7 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.097 -1.037 18327 1861 1 7 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.539 -2.349 18327 1862 1 7 . 1 1 60 60 PHE H H 60 8.724 8.724 8.096 0.628 18327 1863 1 7 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.869 -0.389 18327 1864 1 7 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.149 0.051 18327 1865 1 7 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.821 -0.631 18327 1866 1 7 . 1 1 62 62 ALA N N 62 124.600 124.600 126.452 -1.852 18327 1867 1 7 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.417 -0.697 18327 1868 1 7 . 1 1 62 62 ALA CA C 62 54.370 54.370 55.055 -0.685 18327 1869 1 7 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.341 -0.691 18327 1870 1 7 . 1 1 62 62 ALA H H 62 7.898 7.898 8.571 -0.673 18327 1871 1 7 . 1 1 63 63 SER N N 63 109.700 109.700 112.884 -3.184 18327 1872 1 7 . 1 1 63 63 SER HA H 63 4.200 4.200 4.439 -0.239 18327 1873 1 7 . 1 1 63 63 SER CA C 63 59.400 59.400 60.530 -1.130 18327 1874 1 7 . 1 1 63 63 SER CB C 63 62.380 62.380 62.954 -0.574 18327 1875 1 7 . 1 1 63 63 SER H H 63 8.030 8.030 8.130 -0.100 18327 1876 1 7 . 1 1 64 64 TYR N N 64 120.300 120.300 117.956 2.344 18327 1877 1 7 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.233 0.027 18327 1878 1 7 . 1 1 64 64 TYR CA C 64 57.720 57.720 58.927 -1.207 18327 1879 1 7 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.257 -0.697 18327 1880 1 7 . 1 1 64 64 TYR H H 64 7.124 7.124 7.887 -0.763 18327 1881 1 7 . 1 1 65 65 ILE N N 65 118.000 118.000 115.840 2.160 18327 1882 1 7 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.829 0.001 18327 1883 1 7 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.136 -2.155 18327 1884 1 7 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.440 0.190 18327 1885 1 7 . 1 1 65 65 ILE H H 65 7.671 7.671 7.397 0.274 18327 1886 1 7 . 1 1 66 66 HIS N N 66 124.500 124.500 121.802 2.698 18327 1887 1 7 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.968 0.162 18327 1888 1 7 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.347 -1.287 18327 1889 1 7 . 1 1 66 66 HIS CB C 66 30.510 30.510 31.933 -1.423 18327 1890 1 7 . 1 1 66 66 HIS H H 66 9.159 9.159 8.699 0.460 18327 1891 1 7 . 1 1 67 67 LEU N N 67 127.400 127.400 125.965 1.435 18327 1892 1 7 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.607 -0.047 18327 1893 1 7 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.098 -0.798 18327 1894 1 7 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.951 -0.891 18327 1895 1 7 . 1 1 67 67 LEU H H 67 8.979 8.979 9.056 -0.077 18327 1896 1 7 . 1 1 68 68 LYS N N 68 121.900 121.900 120.656 1.244 18327 1897 1 7 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.455 0.035 18327 1898 1 7 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.784 -0.674 18327 1899 1 7 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.040 1.570 18327 1900 1 7 . 1 1 68 68 LYS H H 68 8.499 8.499 8.539 -0.040 18327 1901 1 7 . 1 1 69 69 GLU N N 69 122.100 122.100 117.263 4.837 18327 1902 1 7 . 1 1 69 69 GLU HA H 69 4.290 4.290 3.924 0.366 18327 1903 1 7 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.046 -0.436 18327 1904 1 7 . 1 1 69 69 GLU CB C 69 30.330 30.330 27.786 2.544 18327 1905 1 7 . 1 1 69 69 GLU H H 69 8.569 8.569 8.538 0.031 18327 1906 1 7 . 1 1 70 70 ALA N N 70 123.300 123.300 117.490 5.810 18327 1907 1 7 . 1 1 70 70 ALA HA H 70 4.210 4.210 3.706 0.504 18327 1908 1 7 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.326 -0.516 18327 1909 1 7 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.748 0.952 18327 1910 1 7 . 1 1 70 70 ALA H H 70 8.181 8.181 7.456 0.725 18327 1911 1 7 . 1 1 71 71 ILE N N 71 120.000 120.000 120.240 -0.240 18327 1912 1 7 . 1 1 71 71 ILE HA H 71 4.070 4.070 3.955 0.115 18327 1913 1 7 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.757 -1.427 18327 1914 1 7 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.114 0.576 18327 1915 1 7 . 1 1 71 71 ILE H H 71 7.789 7.789 8.380 -0.591 18327 1916 1 7 . 1 1 72 72 VAL N N 72 124.400 124.400 126.136 -1.736 18327 1917 1 7 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.495 -0.425 18327 1918 1 7 . 1 1 72 72 VAL CA C 72 61.640 61.640 60.342 1.298 18327 1919 1 7 . 1 1 72 72 VAL CB C 72 32.690 32.690 33.291 -0.601 18327 1920 1 7 . 1 1 72 72 VAL H H 72 8.089 8.089 8.202 -0.113 18327 1921 1 7 . 1 1 73 73 GLU N N 73 125.940 125.940 119.415 6.525 18327 1922 1 7 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.877 -0.577 18327 1923 1 7 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.918 0.692 18327 1924 1 7 . 1 1 73 73 GLU CB C 73 30.710 30.710 32.526 -1.816 18327 1925 1 7 . 1 1 73 73 GLU H H 73 8.464 8.464 9.061 -0.597 18327 1926 1 8 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.732 0.828 18327 1927 1 8 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.814 -0.954 18327 1928 1 8 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.211 2.229 18327 1929 1 8 . 1 1 14 14 GLY N N 14 105.400 105.400 107.435 -2.035 18327 1930 1 8 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.353 1.887 18327 1931 1 8 . 1 1 14 14 GLY H H 14 8.406 8.406 8.625 -0.219 18327 1932 1 8 . 1 1 15 15 VAL N N 15 118.900 118.900 121.186 -2.286 18327 1933 1 8 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.831 0.499 18327 1934 1 8 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.500 -1.290 18327 1935 1 8 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.822 -0.082 18327 1936 1 8 . 1 1 15 15 VAL H H 15 8.854 8.854 8.332 0.522 18327 1937 1 8 . 1 1 16 16 ALA N N 16 129.400 129.400 127.338 2.062 18327 1938 1 8 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.767 0.233 18327 1939 1 8 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.564 0.436 18327 1940 1 8 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.396 -1.066 18327 1941 1 8 . 1 1 16 16 ALA H H 16 9.112 9.112 9.150 -0.038 18327 1942 1 8 . 1 1 17 17 PHE N N 17 123.900 123.900 123.096 0.804 18327 1943 1 8 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.640 0.100 18327 1944 1 8 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.904 -1.674 18327 1945 1 8 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.365 -0.366 18327 1946 1 8 . 1 1 17 17 PHE H H 17 8.785 8.785 8.809 -0.024 18327 1947 1 8 . 1 1 18 18 TYR N N 18 118.100 118.100 118.405 -0.305 18327 1948 1 8 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.561 -0.071 18327 1949 1 8 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.567 -2.267 18327 1950 1 8 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.226 0.584 18327 1951 1 8 . 1 1 18 18 TYR H H 18 7.288 7.288 7.622 -0.334 18327 1952 1 8 . 1 1 19 19 ASN N N 19 116.800 116.800 121.333 -4.533 18327 1953 1 8 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.781 -0.071 18327 1954 1 8 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.878 -0.938 18327 1955 1 8 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.839 0.221 18327 1956 1 8 . 1 1 19 19 ASN H H 19 8.122 8.122 8.870 -0.748 18327 1957 1 8 . 1 1 20 20 TYR N N 20 122.000 122.000 124.950 -2.950 18327 1958 1 8 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.723 -0.013 18327 1959 1 8 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.791 -0.071 18327 1960 1 8 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.768 -0.518 18327 1961 1 8 . 1 1 20 20 TYR H H 20 8.994 8.994 8.537 0.457 18327 1962 1 8 . 1 1 21 21 ASP N N 21 128.500 128.500 122.675 5.825 18327 1963 1 8 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.853 -0.063 18327 1964 1 8 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.355 0.015 18327 1965 1 8 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.950 -1.820 18327 1966 1 8 . 1 1 21 21 ASP H H 21 7.839 7.839 7.603 0.236 18327 1967 1 8 . 1 1 22 22 ALA N N 22 125.200 125.200 121.710 3.490 18327 1968 1 8 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.557 -0.507 18327 1969 1 8 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.505 0.435 18327 1970 1 8 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.496 0.954 18327 1971 1 8 . 1 1 22 22 ALA H H 22 8.107 8.107 8.390 -0.283 18327 1972 1 8 . 1 1 23 23 ARG N N 23 122.200 122.200 122.184 0.016 18327 1973 1 8 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.547 -0.197 18327 1974 1 8 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.751 -0.261 18327 1975 1 8 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.911 -0.211 18327 1976 1 8 . 1 1 23 23 ARG H H 23 8.889 8.889 9.007 -0.118 18327 1977 1 8 . 1 1 24 24 GLY N N 24 105.200 105.200 107.237 -2.037 18327 1978 1 8 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.644 -0.144 18327 1979 1 8 . 1 1 24 24 GLY H H 24 7.267 7.267 7.602 -0.335 18327 1980 1 8 . 1 1 25 25 ALA N N 25 122.200 122.200 121.340 0.860 18327 1981 1 8 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.366 -0.206 18327 1982 1 8 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.015 0.425 18327 1983 1 8 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.102 -0.332 18327 1984 1 8 . 1 1 25 25 ALA H H 25 8.621 8.621 8.490 0.131 18327 1985 1 8 . 1 1 26 26 ASP N N 26 114.700 114.700 119.310 -4.610 18327 1986 1 8 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.727 -0.027 18327 1987 1 8 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.266 0.604 18327 1988 1 8 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.473 -0.083 18327 1989 1 8 . 1 1 26 26 ASP H H 26 8.949 8.949 8.562 0.387 18327 1990 1 8 . 1 1 27 27 GLU N N 27 118.800 118.800 118.111 0.689 18327 1991 1 8 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.973 0.247 18327 1992 1 8 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.516 0.414 18327 1993 1 8 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.887 0.993 18327 1994 1 8 . 1 1 27 27 GLU H H 27 7.542 7.542 7.550 -0.008 18327 1995 1 8 . 1 1 28 28 LEU N N 28 121.400 121.400 119.263 2.137 18327 1996 1 8 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.743 0.017 18327 1997 1 8 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.707 -0.587 18327 1998 1 8 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.430 -0.930 18327 1999 1 8 . 1 1 28 28 LEU H H 28 8.897 8.897 8.252 0.645 18327 2000 1 8 . 1 1 29 29 SER N N 29 115.700 115.700 116.927 -1.227 18327 2001 1 8 . 1 1 29 29 SER HA H 29 5.030 5.030 4.987 0.043 18327 2002 1 8 . 1 1 29 29 SER CA C 29 58.470 58.470 57.493 0.977 18327 2003 1 8 . 1 1 29 29 SER CB C 29 63.690 63.690 64.182 -0.492 18327 2004 1 8 . 1 1 29 29 SER H H 29 7.949 7.949 8.285 -0.336 18327 2005 1 8 . 1 1 30 30 LEU N N 30 121.300 121.300 118.676 2.624 18327 2006 1 8 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.702 0.098 18327 2007 1 8 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.351 -2.411 18327 2008 1 8 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.023 0.347 18327 2009 1 8 . 1 1 30 30 LEU H H 30 9.503 9.503 8.552 0.951 18327 2010 1 8 . 1 1 31 31 GLN N N 31 123.100 123.100 120.534 2.566 18327 2011 1 8 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.715 0.355 18327 2012 1 8 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.820 -1.880 18327 2013 1 8 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.566 -1.376 18327 2014 1 8 . 1 1 31 31 GLN H H 31 9.152 9.152 8.480 0.672 18327 2015 1 8 . 1 1 32 32 ILE N N 32 120.800 120.800 122.011 -1.211 18327 2016 1 8 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.700 -0.670 18327 2017 1 8 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.663 1.587 18327 2018 1 8 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.213 0.727 18327 2019 1 8 . 1 1 32 32 ILE H H 32 8.019 8.019 8.580 -0.561 18327 2020 1 8 . 1 1 33 33 GLY N N 33 115.700 115.700 114.183 1.517 18327 2021 1 8 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.817 -0.317 18327 2022 1 8 . 1 1 33 33 GLY H H 33 8.777 8.777 8.459 0.318 18327 2023 1 8 . 1 1 34 34 ASP N N 34 122.300 122.300 122.334 -0.034 18327 2024 1 8 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.872 -0.232 18327 2025 1 8 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.640 2.220 18327 2026 1 8 . 1 1 34 34 ASP CB C 34 41.310 41.310 41.807 -0.497 18327 2027 1 8 . 1 1 34 34 ASP H H 34 8.690 8.690 7.664 1.026 18327 2028 1 8 . 1 1 35 35 THR N N 35 117.900 117.900 115.883 2.017 18327 2029 1 8 . 1 1 35 35 THR HA H 35 5.160 5.160 5.266 -0.106 18327 2030 1 8 . 1 1 35 35 THR CA C 35 61.450 61.450 61.633 -0.183 18327 2031 1 8 . 1 1 35 35 THR CB C 35 69.090 69.090 70.501 -1.411 18327 2032 1 8 . 1 1 35 35 THR H H 35 8.389 8.389 8.322 0.067 18327 2033 1 8 . 1 1 36 36 VAL N N 36 118.200 118.200 116.323 1.877 18327 2034 1 8 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.429 0.671 18327 2035 1 8 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.255 -2.345 18327 2036 1 8 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.414 -0.224 18327 2037 1 8 . 1 1 36 36 VAL H H 36 9.019 9.019 9.047 -0.028 18327 2038 1 8 . 1 1 37 37 HIS N N 37 122.100 122.100 119.975 2.125 18327 2039 1 8 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.987 -0.147 18327 2040 1 8 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.807 -1.247 18327 2041 1 8 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.099 -1.839 18327 2042 1 8 . 1 1 37 37 HIS H H 37 8.489 8.489 8.596 -0.107 18327 2043 1 8 . 1 1 38 38 ILE N N 38 126.400 126.400 126.190 0.210 18327 2044 1 8 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.317 -0.537 18327 2045 1 8 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.735 0.905 18327 2046 1 8 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.645 0.235 18327 2047 1 8 . 1 1 38 38 ILE H H 38 8.636 8.636 8.958 -0.322 18327 2048 1 8 . 1 1 39 39 LEU N N 39 126.000 126.000 126.315 -0.315 18327 2049 1 8 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.652 -0.252 18327 2050 1 8 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.207 0.283 18327 2051 1 8 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.728 0.022 18327 2052 1 8 . 1 1 39 39 LEU H H 39 9.162 9.162 8.861 0.301 18327 2053 1 8 . 1 1 40 40 GLU N N 40 115.100 115.100 116.529 -1.429 18327 2054 1 8 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.543 3.352 18327 2055 1 8 . 1 1 41 41 THR N N 41 116.400 116.400 112.754 3.646 18327 2056 1 8 . 1 1 41 41 THR HA H 41 4.270 4.270 4.552 -0.282 18327 2057 1 8 . 1 1 41 41 THR CA C 41 60.890 60.890 61.646 -0.756 18327 2058 1 8 . 1 1 41 41 THR CB C 41 69.650 69.650 70.097 -0.447 18327 2059 1 8 . 1 1 41 41 THR H H 41 8.162 8.162 8.442 -0.280 18327 2060 1 8 . 1 1 43 43 GLU N N 43 123.300 123.300 121.669 1.631 18327 2061 1 8 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.216 0.054 18327 2062 1 8 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.307 2.043 18327 2063 1 8 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.036 -2.246 18327 2064 1 8 . 1 1 43 43 GLU H H 43 8.108 8.108 8.316 -0.208 18327 2065 1 8 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.130 0.310 18327 2066 1 8 . 1 1 45 45 TRP N N 45 124.100 124.100 120.121 3.979 18327 2067 1 8 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.742 -0.052 18327 2068 1 8 . 1 1 45 45 TRP H H 45 8.590 8.590 6.814 1.776 18327 2069 1 8 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.843 0.757 18327 2070 1 8 . 1 1 46 46 TYR CA C 46 54.060 54.060 56.257 -2.197 18327 2071 1 8 . 1 1 46 46 TYR CB C 46 42.060 42.060 41.886 0.174 18327 2072 1 8 . 1 1 47 47 ARG N N 47 118.100 118.100 120.084 -1.984 18327 2073 1 8 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.697 0.373 18327 2074 1 8 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.370 -0.310 18327 2075 1 8 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.710 -1.460 18327 2076 1 8 . 1 1 47 47 ARG H H 47 8.495 8.495 8.944 -0.449 18327 2077 1 8 . 1 1 48 48 GLY N N 48 114.000 114.000 113.303 0.697 18327 2078 1 8 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.379 0.181 18327 2079 1 8 . 1 1 48 48 GLY H H 48 9.183 9.183 8.752 0.431 18327 2080 1 8 . 1 1 49 49 TYR N N 49 116.200 116.200 117.648 -1.448 18327 2081 1 8 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.029 0.351 18327 2082 1 8 . 1 1 49 49 TYR CA C 49 55.110 55.110 57.108 -1.998 18327 2083 1 8 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.301 1.449 18327 2084 1 8 . 1 1 49 49 TYR H H 49 8.199 8.199 8.445 -0.246 18327 2085 1 8 . 1 1 50 50 THR N N 50 112.200 112.200 111.637 0.563 18327 2086 1 8 . 1 1 50 50 THR HA H 50 5.120 5.120 4.215 0.905 18327 2087 1 8 . 1 1 50 50 THR CA C 50 59.770 59.770 61.747 -1.977 18327 2088 1 8 . 1 1 50 50 THR CB C 50 69.460 69.460 69.869 -0.409 18327 2089 1 8 . 1 1 50 50 THR H H 50 9.436 9.436 8.327 1.109 18327 2090 1 8 . 1 1 51 51 LEU N N 51 121.300 121.300 120.253 1.047 18327 2091 1 8 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.267 -0.037 18327 2092 1 8 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.084 0.706 18327 2093 1 8 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.995 -1.994 18327 2094 1 8 . 1 1 51 51 LEU H H 51 8.313 8.313 8.023 0.290 18327 2095 1 8 . 1 1 52 52 ARG N N 52 116.600 116.600 118.526 -1.926 18327 2096 1 8 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.081 0.169 18327 2097 1 8 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.605 -0.255 18327 2098 1 8 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.639 -0.129 18327 2099 1 8 . 1 1 52 52 ARG H H 52 8.053 8.053 7.751 0.302 18327 2100 1 8 . 1 1 53 53 LYS N N 53 122.600 122.600 117.577 5.023 18327 2101 1 8 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.508 0.112 18327 2102 1 8 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.771 -1.151 18327 2103 1 8 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.010 -0.700 18327 2104 1 8 . 1 1 53 53 LYS H H 53 7.655 7.655 7.672 -0.017 18327 2105 1 8 . 1 1 54 54 LYS N N 54 124.900 124.900 122.941 1.959 18327 2106 1 8 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.393 -0.303 18327 2107 1 8 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.479 -0.009 18327 2108 1 8 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.543 -0.413 18327 2109 1 8 . 1 1 54 54 LYS H H 54 8.499 8.499 8.648 -0.149 18327 2110 1 8 . 1 1 55 55 SER N N 55 110.100 110.100 113.648 -3.548 18327 2111 1 8 . 1 1 55 55 SER HA H 55 4.140 4.140 4.327 -0.187 18327 2112 1 8 . 1 1 55 55 SER CA C 55 58.470 58.470 60.234 -1.764 18327 2113 1 8 . 1 1 55 55 SER CB C 55 63.310 63.310 63.415 -0.105 18327 2114 1 8 . 1 1 55 55 SER H H 55 7.862 7.862 8.340 -0.478 18327 2115 1 8 . 1 1 56 56 LYS N N 56 124.000 124.000 122.210 1.790 18327 2116 1 8 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.470 0.230 18327 2117 1 8 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.555 -0.745 18327 2118 1 8 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.350 -0.100 18327 2119 1 8 . 1 1 56 56 LYS H H 56 7.481 7.481 7.314 0.167 18327 2120 1 8 . 1 1 57 57 LYS N N 57 125.700 125.700 123.215 2.485 18327 2121 1 8 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.665 0.665 18327 2122 1 8 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.928 -0.308 18327 2123 1 8 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.551 -1.311 18327 2124 1 8 . 1 1 57 57 LYS H H 57 8.475 8.475 8.417 0.058 18327 2125 1 8 . 1 1 58 58 GLY N N 58 109.400 109.400 107.638 1.762 18327 2126 1 8 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.666 -0.047 18327 2127 1 8 . 1 1 58 58 GLY H H 58 9.073 9.073 8.470 0.603 18327 2128 1 8 . 1 1 59 59 ILE N N 59 113.900 113.900 116.929 -3.029 18327 2129 1 8 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.589 1.411 18327 2130 1 8 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.915 -0.325 18327 2131 1 8 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.059 -0.920 18327 2132 1 8 . 1 1 59 59 ILE H H 59 8.628 8.628 8.165 0.463 18327 2133 1 8 . 1 1 60 60 PHE N N 60 116.900 116.900 114.304 2.596 18327 2134 1 8 . 1 1 60 60 PHE HA H 60 5.120 5.120 4.545 0.575 18327 2135 1 8 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.721 -0.661 18327 2136 1 8 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.766 -2.576 18327 2137 1 8 . 1 1 60 60 PHE H H 60 8.724 8.724 7.855 0.869 18327 2138 1 8 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.034 -0.554 18327 2139 1 8 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.203 -0.003 18327 2140 1 8 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.518 -0.328 18327 2141 1 8 . 1 1 62 62 ALA N N 62 124.600 124.600 127.772 -3.172 18327 2142 1 8 . 1 1 62 62 ALA HA H 62 3.720 3.720 3.836 -0.116 18327 2143 1 8 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.676 -0.306 18327 2144 1 8 . 1 1 62 62 ALA CB C 62 17.650 17.650 17.931 -0.281 18327 2145 1 8 . 1 1 62 62 ALA H H 62 7.898 7.898 8.372 -0.474 18327 2146 1 8 . 1 1 63 63 SER N N 63 109.700 109.700 113.959 -4.259 18327 2147 1 8 . 1 1 63 63 SER HA H 63 4.200 4.200 4.186 0.014 18327 2148 1 8 . 1 1 63 63 SER CA C 63 59.400 59.400 60.772 -1.371 18327 2149 1 8 . 1 1 63 63 SER CB C 63 62.380 62.380 63.055 -0.675 18327 2150 1 8 . 1 1 63 63 SER H H 63 8.030 8.030 8.481 -0.451 18327 2151 1 8 . 1 1 64 64 TYR N N 64 120.300 120.300 116.796 3.504 18327 2152 1 8 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.404 -0.144 18327 2153 1 8 . 1 1 64 64 TYR CA C 64 57.720 57.720 58.992 -1.272 18327 2154 1 8 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.144 -0.584 18327 2155 1 8 . 1 1 64 64 TYR H H 64 7.124 7.124 8.134 -1.010 18327 2156 1 8 . 1 1 65 65 ILE N N 65 118.000 118.000 116.172 1.828 18327 2157 1 8 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.881 -0.051 18327 2158 1 8 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.111 -2.131 18327 2159 1 8 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.569 0.061 18327 2160 1 8 . 1 1 65 65 ILE H H 65 7.671 7.671 7.399 0.272 18327 2161 1 8 . 1 1 66 66 HIS N N 66 124.500 124.500 121.664 2.836 18327 2162 1 8 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.885 0.245 18327 2163 1 8 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.511 -1.451 18327 2164 1 8 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.044 -2.534 18327 2165 1 8 . 1 1 66 66 HIS H H 66 9.159 9.159 8.638 0.521 18327 2166 1 8 . 1 1 67 67 LEU N N 67 127.400 127.400 126.857 0.543 18327 2167 1 8 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.343 0.217 18327 2168 1 8 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.218 -0.918 18327 2169 1 8 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.269 -0.209 18327 2170 1 8 . 1 1 67 67 LEU H H 67 8.979 8.979 8.984 -0.005 18327 2171 1 8 . 1 1 68 68 LYS N N 68 121.900 121.900 125.233 -3.333 18327 2172 1 8 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.465 0.025 18327 2173 1 8 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.266 -0.156 18327 2174 1 8 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.322 0.289 18327 2175 1 8 . 1 1 68 68 LYS H H 68 8.499 8.499 8.833 -0.334 18327 2176 1 8 . 1 1 69 69 GLU N N 69 122.100 122.100 122.308 -0.208 18327 2177 1 8 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.091 0.199 18327 2178 1 8 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.995 -1.385 18327 2179 1 8 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.880 0.451 18327 2180 1 8 . 1 1 69 69 GLU H H 69 8.569 8.569 8.206 0.363 18327 2181 1 8 . 1 1 70 70 ALA N N 70 123.300 123.300 129.211 -5.911 18327 2182 1 8 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.143 0.067 18327 2183 1 8 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.709 -0.899 18327 2184 1 8 . 1 1 70 70 ALA CB C 70 19.700 19.700 17.420 2.280 18327 2185 1 8 . 1 1 70 70 ALA H H 70 8.181 8.181 8.669 -0.488 18327 2186 1 8 . 1 1 71 71 ILE N N 71 120.000 120.000 114.451 5.549 18327 2187 1 8 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.082 -0.012 18327 2188 1 8 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.513 -1.183 18327 2189 1 8 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.453 0.237 18327 2190 1 8 . 1 1 71 71 ILE H H 71 7.789 7.789 7.991 -0.202 18327 2191 1 8 . 1 1 72 72 VAL N N 72 124.400 124.400 121.204 3.196 18327 2192 1 8 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.342 -0.272 18327 2193 1 8 . 1 1 72 72 VAL CA C 72 61.640 61.640 60.934 0.706 18327 2194 1 8 . 1 1 72 72 VAL CB C 72 32.690 32.690 33.164 -0.474 18327 2195 1 8 . 1 1 72 72 VAL H H 72 8.089 8.089 8.082 0.007 18327 2196 1 8 . 1 1 73 73 GLU N N 73 125.940 125.940 119.377 6.563 18327 2197 1 8 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.478 -0.178 18327 2198 1 8 . 1 1 73 73 GLU CA C 73 56.610 56.610 54.809 1.801 18327 2199 1 8 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.956 -0.246 18327 2200 1 8 . 1 1 73 73 GLU H H 73 8.464 8.464 8.092 0.372 18327 2201 1 9 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.575 0.985 18327 2202 1 9 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.974 -1.114 18327 2203 1 9 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.843 1.597 18327 2204 1 9 . 1 1 14 14 GLY N N 14 105.400 105.400 106.215 -0.815 18327 2205 1 9 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.534 1.706 18327 2206 1 9 . 1 1 14 14 GLY H H 14 8.406 8.406 8.524 -0.118 18327 2207 1 9 . 1 1 15 15 VAL N N 15 118.900 118.900 120.700 -1.800 18327 2208 1 9 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.820 0.510 18327 2209 1 9 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.780 -1.570 18327 2210 1 9 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.190 -0.449 18327 2211 1 9 . 1 1 15 15 VAL H H 15 8.854 8.854 8.499 0.355 18327 2212 1 9 . 1 1 16 16 ALA N N 16 129.400 129.400 129.092 0.308 18327 2213 1 9 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.883 0.117 18327 2214 1 9 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.329 0.671 18327 2215 1 9 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.387 -1.057 18327 2216 1 9 . 1 1 16 16 ALA H H 16 9.112 9.112 9.109 0.003 18327 2217 1 9 . 1 1 17 17 PHE N N 17 123.900 123.900 124.593 -0.693 18327 2218 1 9 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.641 0.099 18327 2219 1 9 . 1 1 17 17 PHE CA C 17 56.230 56.230 56.511 -0.281 18327 2220 1 9 . 1 1 17 17 PHE CB C 17 40.000 40.000 39.710 0.290 18327 2221 1 9 . 1 1 17 17 PHE H H 17 8.785 8.785 8.192 0.593 18327 2222 1 9 . 1 1 18 18 TYR N N 18 118.100 118.100 118.230 -0.130 18327 2223 1 9 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.438 0.052 18327 2224 1 9 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.656 -2.356 18327 2225 1 9 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.727 0.083 18327 2226 1 9 . 1 1 18 18 TYR H H 18 7.288 7.288 7.623 -0.335 18327 2227 1 9 . 1 1 19 19 ASN N N 19 116.800 116.800 119.860 -3.060 18327 2228 1 9 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.767 -0.057 18327 2229 1 9 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.177 -0.237 18327 2230 1 9 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.151 -0.091 18327 2231 1 9 . 1 1 19 19 ASN H H 19 8.122 8.122 8.575 -0.453 18327 2232 1 9 . 1 1 20 20 TYR N N 20 122.000 122.000 122.688 -0.688 18327 2233 1 9 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.495 0.215 18327 2234 1 9 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.538 0.182 18327 2235 1 9 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.873 -0.623 18327 2236 1 9 . 1 1 20 20 TYR H H 20 8.994 8.994 8.722 0.272 18327 2237 1 9 . 1 1 21 21 ASP N N 21 128.500 128.500 121.991 6.509 18327 2238 1 9 . 1 1 21 21 ASP HA H 21 4.790 4.790 5.128 -0.338 18327 2239 1 9 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.691 0.679 18327 2240 1 9 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.966 -2.836 18327 2241 1 9 . 1 1 21 21 ASP H H 21 7.839 7.839 7.623 0.216 18327 2242 1 9 . 1 1 22 22 ALA N N 22 125.200 125.200 125.334 -0.134 18327 2243 1 9 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.346 -0.296 18327 2244 1 9 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.993 -0.053 18327 2245 1 9 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.586 0.864 18327 2246 1 9 . 1 1 22 22 ALA H H 22 8.107 8.107 8.112 -0.005 18327 2247 1 9 . 1 1 23 23 ARG N N 23 122.200 122.200 121.218 0.982 18327 2248 1 9 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.252 0.098 18327 2249 1 9 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.379 -1.889 18327 2250 1 9 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.935 -0.235 18327 2251 1 9 . 1 1 23 23 ARG H H 23 8.889 8.889 8.773 0.116 18327 2252 1 9 . 1 1 24 24 GLY N N 24 105.200 105.200 104.573 0.627 18327 2253 1 9 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.610 -0.110 18327 2254 1 9 . 1 1 24 24 GLY H H 24 7.267 7.267 7.553 -0.286 18327 2255 1 9 . 1 1 25 25 ALA N N 25 122.200 122.200 121.326 0.874 18327 2256 1 9 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.253 -0.093 18327 2257 1 9 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.841 0.599 18327 2258 1 9 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.079 -0.309 18327 2259 1 9 . 1 1 25 25 ALA H H 25 8.621 8.621 8.316 0.305 18327 2260 1 9 . 1 1 26 26 ASP N N 26 114.700 114.700 116.780 -2.080 18327 2261 1 9 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.581 0.119 18327 2262 1 9 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.506 0.364 18327 2263 1 9 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.533 -0.143 18327 2264 1 9 . 1 1 26 26 ASP H H 26 8.949 8.949 8.386 0.563 18327 2265 1 9 . 1 1 27 27 GLU N N 27 118.800 118.800 118.834 -0.034 18327 2266 1 9 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.896 0.324 18327 2267 1 9 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.275 -0.345 18327 2268 1 9 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.538 0.342 18327 2269 1 9 . 1 1 27 27 GLU H H 27 7.542 7.542 7.617 -0.075 18327 2270 1 9 . 1 1 28 28 LEU N N 28 121.400 121.400 121.016 0.384 18327 2271 1 9 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.734 0.026 18327 2272 1 9 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.316 -1.196 18327 2273 1 9 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.449 -0.949 18327 2274 1 9 . 1 1 28 28 LEU H H 28 8.897 8.897 8.247 0.650 18327 2275 1 9 . 1 1 29 29 SER N N 29 115.700 115.700 119.197 -3.497 18327 2276 1 9 . 1 1 29 29 SER HA H 29 5.030 5.030 4.610 0.420 18327 2277 1 9 . 1 1 29 29 SER CA C 29 58.470 58.470 59.224 -0.754 18327 2278 1 9 . 1 1 29 29 SER CB C 29 63.690 63.690 63.876 -0.186 18327 2279 1 9 . 1 1 29 29 SER H H 29 7.949 7.949 8.511 -0.562 18327 2280 1 9 . 1 1 30 30 LEU N N 30 121.300 121.300 120.307 0.993 18327 2281 1 9 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.683 0.117 18327 2282 1 9 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.464 -2.524 18327 2283 1 9 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.151 0.219 18327 2284 1 9 . 1 1 30 30 LEU H H 30 9.503 9.503 8.551 0.952 18327 2285 1 9 . 1 1 31 31 GLN N N 31 123.100 123.100 121.863 1.237 18327 2286 1 9 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.694 0.376 18327 2287 1 9 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.118 -1.179 18327 2288 1 9 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.531 -1.341 18327 2289 1 9 . 1 1 31 31 GLN H H 31 9.152 9.152 8.549 0.603 18327 2290 1 9 . 1 1 32 32 ILE N N 32 120.800 120.800 121.438 -0.638 18327 2291 1 9 . 1 1 32 32 ILE HA H 32 3.030 3.030 4.103 -1.073 18327 2292 1 9 . 1 1 32 32 ILE CA C 32 64.250 64.250 61.826 2.424 18327 2293 1 9 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.731 0.209 18327 2294 1 9 . 1 1 32 32 ILE H H 32 8.019 8.019 8.624 -0.605 18327 2295 1 9 . 1 1 33 33 GLY N N 33 115.700 115.700 114.567 1.133 18327 2296 1 9 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.929 -0.429 18327 2297 1 9 . 1 1 33 33 GLY H H 33 8.777 8.777 8.787 -0.010 18327 2298 1 9 . 1 1 34 34 ASP N N 34 122.300 122.300 122.223 0.077 18327 2299 1 9 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.859 -0.219 18327 2300 1 9 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.675 2.185 18327 2301 1 9 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.759 -1.449 18327 2302 1 9 . 1 1 34 34 ASP H H 34 8.690 8.690 7.656 1.034 18327 2303 1 9 . 1 1 35 35 THR N N 35 117.900 117.900 116.181 1.719 18327 2304 1 9 . 1 1 35 35 THR HA H 35 5.160 5.160 5.264 -0.104 18327 2305 1 9 . 1 1 35 35 THR CA C 35 61.450 61.450 61.364 0.086 18327 2306 1 9 . 1 1 35 35 THR CB C 35 69.090 69.090 70.303 -1.213 18327 2307 1 9 . 1 1 35 35 THR H H 35 8.389 8.389 8.530 -0.141 18327 2308 1 9 . 1 1 36 36 VAL N N 36 118.200 118.200 116.430 1.770 18327 2309 1 9 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.405 0.695 18327 2310 1 9 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.422 -2.512 18327 2311 1 9 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.803 -0.613 18327 2312 1 9 . 1 1 36 36 VAL H H 36 9.019 9.019 9.053 -0.034 18327 2313 1 9 . 1 1 37 37 HIS N N 37 122.100 122.100 119.599 2.501 18327 2314 1 9 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.929 -0.089 18327 2315 1 9 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.579 -2.019 18327 2316 1 9 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.441 -2.181 18327 2317 1 9 . 1 1 37 37 HIS H H 37 8.489 8.489 8.437 0.052 18327 2318 1 9 . 1 1 38 38 ILE N N 38 126.400 126.400 125.284 1.116 18327 2319 1 9 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.192 -0.412 18327 2320 1 9 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.693 0.947 18327 2321 1 9 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.888 -0.008 18327 2322 1 9 . 1 1 38 38 ILE H H 38 8.636 8.636 8.305 0.331 18327 2323 1 9 . 1 1 39 39 LEU N N 39 126.000 126.000 125.038 0.962 18327 2324 1 9 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.985 -0.585 18327 2325 1 9 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.396 0.094 18327 2326 1 9 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.781 -1.031 18327 2327 1 9 . 1 1 39 39 LEU H H 39 9.162 9.162 8.776 0.386 18327 2328 1 9 . 1 1 40 40 GLU N N 40 115.100 115.100 117.349 -2.249 18327 2329 1 9 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.751 3.144 18327 2330 1 9 . 1 1 41 41 THR N N 41 116.400 116.400 109.979 6.421 18327 2331 1 9 . 1 1 41 41 THR HA H 41 4.270 4.270 4.769 -0.499 18327 2332 1 9 . 1 1 41 41 THR CA C 41 60.890 60.890 60.394 0.496 18327 2333 1 9 . 1 1 41 41 THR CB C 41 69.650 69.650 71.774 -2.124 18327 2334 1 9 . 1 1 41 41 THR H H 41 8.162 8.162 8.311 -0.149 18327 2335 1 9 . 1 1 43 43 GLU N N 43 123.300 123.300 121.721 1.579 18327 2336 1 9 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.364 -0.094 18327 2337 1 9 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.071 2.279 18327 2338 1 9 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.394 -2.604 18327 2339 1 9 . 1 1 43 43 GLU H H 43 8.108 8.108 8.403 -0.295 18327 2340 1 9 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.602 -0.162 18327 2341 1 9 . 1 1 45 45 TRP N N 45 124.100 124.100 118.936 5.164 18327 2342 1 9 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.674 0.016 18327 2343 1 9 . 1 1 45 45 TRP H H 45 8.590 8.590 7.417 1.173 18327 2344 1 9 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.568 1.032 18327 2345 1 9 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.124 -3.064 18327 2346 1 9 . 1 1 46 46 TYR CB C 46 42.060 42.060 42.186 -0.126 18327 2347 1 9 . 1 1 47 47 ARG N N 47 118.100 118.100 121.498 -3.398 18327 2348 1 9 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.872 0.198 18327 2349 1 9 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.805 -0.745 18327 2350 1 9 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.023 -0.773 18327 2351 1 9 . 1 1 47 47 ARG H H 47 8.495 8.495 8.994 -0.499 18327 2352 1 9 . 1 1 48 48 GLY N N 48 114.000 114.000 114.715 -0.715 18327 2353 1 9 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.591 -0.031 18327 2354 1 9 . 1 1 48 48 GLY H H 48 9.183 9.183 8.939 0.244 18327 2355 1 9 . 1 1 49 49 TYR N N 49 116.200 116.200 116.951 -0.751 18327 2356 1 9 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.000 0.380 18327 2357 1 9 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.971 -1.861 18327 2358 1 9 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.193 1.557 18327 2359 1 9 . 1 1 49 49 TYR H H 49 8.199 8.199 8.489 -0.290 18327 2360 1 9 . 1 1 50 50 THR N N 50 112.200 112.200 111.322 0.878 18327 2361 1 9 . 1 1 50 50 THR HA H 50 5.120 5.120 4.192 0.928 18327 2362 1 9 . 1 1 50 50 THR CA C 50 59.770 59.770 61.466 -1.696 18327 2363 1 9 . 1 1 50 50 THR CB C 50 69.460 69.460 70.049 -0.589 18327 2364 1 9 . 1 1 50 50 THR H H 50 9.436 9.436 8.228 1.208 18327 2365 1 9 . 1 1 51 51 LEU N N 51 121.300 121.300 120.615 0.685 18327 2366 1 9 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.342 -0.112 18327 2367 1 9 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.815 0.975 18327 2368 1 9 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.013 -2.013 18327 2369 1 9 . 1 1 51 51 LEU H H 51 8.313 8.313 8.329 -0.016 18327 2370 1 9 . 1 1 52 52 ARG N N 52 116.600 116.600 118.552 -1.952 18327 2371 1 9 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.079 0.171 18327 2372 1 9 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.411 -0.061 18327 2373 1 9 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.627 -0.116 18327 2374 1 9 . 1 1 52 52 ARG H H 52 8.053 8.053 7.679 0.374 18327 2375 1 9 . 1 1 53 53 LYS N N 53 122.600 122.600 117.041 5.559 18327 2376 1 9 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.525 0.095 18327 2377 1 9 . 1 1 53 53 LYS CA C 53 54.620 54.620 56.052 -1.432 18327 2378 1 9 . 1 1 53 53 LYS CB C 53 32.310 32.310 34.245 -1.935 18327 2379 1 9 . 1 1 53 53 LYS H H 53 7.655 7.655 7.686 -0.031 18327 2380 1 9 . 1 1 54 54 LYS N N 54 124.900 124.900 123.656 1.244 18327 2381 1 9 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.523 -0.433 18327 2382 1 9 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.485 -0.015 18327 2383 1 9 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.219 -0.089 18327 2384 1 9 . 1 1 54 54 LYS H H 54 8.499 8.499 8.777 -0.278 18327 2385 1 9 . 1 1 55 55 SER N N 55 110.100 110.100 114.313 -4.213 18327 2386 1 9 . 1 1 55 55 SER HA H 55 4.140 4.140 4.245 -0.105 18327 2387 1 9 . 1 1 55 55 SER CA C 55 58.470 58.470 60.620 -2.150 18327 2388 1 9 . 1 1 55 55 SER CB C 55 63.310 63.310 63.203 0.107 18327 2389 1 9 . 1 1 55 55 SER H H 55 7.862 7.862 8.006 -0.144 18327 2390 1 9 . 1 1 56 56 LYS N N 56 124.000 124.000 121.988 2.012 18327 2391 1 9 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.331 0.369 18327 2392 1 9 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.836 -1.026 18327 2393 1 9 . 1 1 56 56 LYS CB C 56 33.250 33.250 31.475 1.775 18327 2394 1 9 . 1 1 56 56 LYS H H 56 7.481 7.481 8.314 -0.833 18327 2395 1 9 . 1 1 57 57 LYS N N 57 125.700 125.700 121.868 3.832 18327 2396 1 9 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.559 0.771 18327 2397 1 9 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.387 -0.767 18327 2398 1 9 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.689 -0.449 18327 2399 1 9 . 1 1 57 57 LYS H H 57 8.475 8.475 7.723 0.752 18327 2400 1 9 . 1 1 58 58 GLY N N 58 109.400 109.400 106.180 3.220 18327 2401 1 9 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.710 0.910 18327 2402 1 9 . 1 1 58 58 GLY H H 58 9.073 9.073 8.324 0.749 18327 2403 1 9 . 1 1 59 59 ILE N N 59 113.900 113.900 116.983 -3.083 18327 2404 1 9 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.370 0.630 18327 2405 1 9 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.389 0.202 18327 2406 1 9 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.346 -0.206 18327 2407 1 9 . 1 1 59 59 ILE H H 59 8.628 8.628 8.494 0.134 18327 2408 1 9 . 1 1 60 60 PHE N N 60 116.900 116.900 115.143 1.757 18327 2409 1 9 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.266 -0.146 18327 2410 1 9 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.049 -0.989 18327 2411 1 9 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.555 -2.365 18327 2412 1 9 . 1 1 60 60 PHE H H 60 8.724 8.724 8.591 0.133 18327 2413 1 9 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.777 -0.297 18327 2414 1 9 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.070 0.130 18327 2415 1 9 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.592 -0.402 18327 2416 1 9 . 1 1 62 62 ALA N N 62 124.600 124.600 128.624 -4.024 18327 2417 1 9 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.297 -0.577 18327 2418 1 9 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.750 -0.380 18327 2419 1 9 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.139 -0.489 18327 2420 1 9 . 1 1 62 62 ALA H H 62 7.898 7.898 8.408 -0.510 18327 2421 1 9 . 1 1 63 63 SER N N 63 109.700 109.700 111.498 -1.798 18327 2422 1 9 . 1 1 63 63 SER HA H 63 4.200 4.200 4.115 0.085 18327 2423 1 9 . 1 1 63 63 SER CA C 63 59.400 59.400 60.276 -0.876 18327 2424 1 9 . 1 1 63 63 SER CB C 63 62.380 62.380 62.674 -0.294 18327 2425 1 9 . 1 1 63 63 SER H H 63 8.030 8.030 8.176 -0.146 18327 2426 1 9 . 1 1 64 64 TYR N N 64 120.300 120.300 119.119 1.181 18327 2427 1 9 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.830 -0.570 18327 2428 1 9 . 1 1 64 64 TYR CA C 64 57.720 57.720 57.263 0.457 18327 2429 1 9 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.565 -0.005 18327 2430 1 9 . 1 1 64 64 TYR H H 64 7.124 7.124 6.975 0.149 18327 2431 1 9 . 1 1 65 65 ILE N N 65 118.000 118.000 118.102 -0.102 18327 2432 1 9 . 1 1 65 65 ILE HA H 65 4.830 4.830 5.029 -0.199 18327 2433 1 9 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.134 -2.154 18327 2434 1 9 . 1 1 65 65 ILE CB C 65 39.630 39.630 42.706 -3.076 18327 2435 1 9 . 1 1 65 65 ILE H H 65 7.671 7.671 7.741 -0.070 18327 2436 1 9 . 1 1 66 66 HIS N N 66 124.500 124.500 122.415 2.085 18327 2437 1 9 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.814 0.316 18327 2438 1 9 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.317 -1.257 18327 2439 1 9 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.865 -2.355 18327 2440 1 9 . 1 1 66 66 HIS H H 66 9.159 9.159 9.083 0.076 18327 2441 1 9 . 1 1 67 67 LEU N N 67 127.400 127.400 125.878 1.522 18327 2442 1 9 . 1 1 67 67 LEU HA H 67 4.560 4.560 5.112 -0.552 18327 2443 1 9 . 1 1 67 67 LEU CA C 67 55.300 55.300 53.986 1.314 18327 2444 1 9 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.871 -0.811 18327 2445 1 9 . 1 1 67 67 LEU H H 67 8.979 8.979 8.692 0.287 18327 2446 1 9 . 1 1 68 68 LYS N N 68 121.900 121.900 122.922 -1.022 18327 2447 1 9 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.460 0.030 18327 2448 1 9 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.061 0.049 18327 2449 1 9 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.047 0.563 18327 2450 1 9 . 1 1 68 68 LYS H H 68 8.499 8.499 8.938 -0.439 18327 2451 1 9 . 1 1 69 69 GLU N N 69 122.100 122.100 124.247 -2.147 18327 2452 1 9 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.059 0.231 18327 2453 1 9 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.636 -0.026 18327 2454 1 9 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.972 1.358 18327 2455 1 9 . 1 1 69 69 GLU H H 69 8.569 8.569 8.490 0.079 18327 2456 1 9 . 1 1 70 70 ALA N N 70 123.300 123.300 125.428 -2.128 18327 2457 1 9 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.121 0.089 18327 2458 1 9 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.895 -1.085 18327 2459 1 9 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.598 1.102 18327 2460 1 9 . 1 1 70 70 ALA H H 70 8.181 8.181 8.649 -0.468 18327 2461 1 9 . 1 1 71 71 ILE N N 71 120.000 120.000 122.717 -2.717 18327 2462 1 9 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.313 -0.243 18327 2463 1 9 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.518 -0.188 18327 2464 1 9 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.302 -0.612 18327 2465 1 9 . 1 1 71 71 ILE H H 71 7.789 7.789 7.998 -0.209 18327 2466 1 9 . 1 1 72 72 VAL N N 72 124.400 124.400 121.730 2.670 18327 2467 1 9 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.419 -0.349 18327 2468 1 9 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.467 0.173 18327 2469 1 9 . 1 1 72 72 VAL CB C 72 32.690 32.690 33.098 -0.408 18327 2470 1 9 . 1 1 72 72 VAL H H 72 8.089 8.089 8.143 -0.054 18327 2471 1 9 . 1 1 73 73 GLU N N 73 125.940 125.940 122.338 3.602 18327 2472 1 9 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.492 -0.192 18327 2473 1 9 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.090 0.520 18327 2474 1 9 . 1 1 73 73 GLU CB C 73 30.710 30.710 28.355 2.355 18327 2475 1 9 . 1 1 73 73 GLU H H 73 8.464 8.464 8.553 -0.089 18327 2476 1 10 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.532 1.028 18327 2477 1 10 . 1 1 13 13 TYR CA C 13 55.860 55.860 57.535 -1.675 18327 2478 1 10 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.689 1.751 18327 2479 1 10 . 1 1 14 14 GLY N N 14 105.400 105.400 107.181 -1.781 18327 2480 1 10 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.880 1.360 18327 2481 1 10 . 1 1 14 14 GLY H H 14 8.406 8.406 8.467 -0.061 18327 2482 1 10 . 1 1 15 15 VAL N N 15 118.900 118.900 124.180 -5.280 18327 2483 1 10 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.765 0.565 18327 2484 1 10 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.259 -1.049 18327 2485 1 10 . 1 1 15 15 VAL CB C 15 35.740 35.740 34.694 1.046 18327 2486 1 10 . 1 1 15 15 VAL H H 15 8.854 8.854 8.486 0.368 18327 2487 1 10 . 1 1 16 16 ALA N N 16 129.400 129.400 128.164 1.236 18327 2488 1 10 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.763 0.237 18327 2489 1 10 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.732 0.268 18327 2490 1 10 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.278 -0.948 18327 2491 1 10 . 1 1 16 16 ALA H H 16 9.112 9.112 9.068 0.044 18327 2492 1 10 . 1 1 17 17 PHE N N 17 123.900 123.900 123.847 0.053 18327 2493 1 10 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.703 0.037 18327 2494 1 10 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.292 -1.062 18327 2495 1 10 . 1 1 17 17 PHE CB C 17 40.000 40.000 41.426 -1.426 18327 2496 1 10 . 1 1 17 17 PHE H H 17 8.785 8.785 8.556 0.229 18327 2497 1 10 . 1 1 18 18 TYR N N 18 118.100 118.100 118.818 -0.718 18327 2498 1 10 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.537 -0.047 18327 2499 1 10 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.540 -2.240 18327 2500 1 10 . 1 1 18 18 TYR CB C 18 42.810 42.810 40.846 1.964 18327 2501 1 10 . 1 1 18 18 TYR H H 18 7.288 7.288 7.790 -0.502 18327 2502 1 10 . 1 1 19 19 ASN N N 19 116.800 116.800 121.010 -4.210 18327 2503 1 10 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.869 -0.159 18327 2504 1 10 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.252 -0.312 18327 2505 1 10 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.647 -0.587 18327 2506 1 10 . 1 1 19 19 ASN H H 19 8.122 8.122 8.656 -0.534 18327 2507 1 10 . 1 1 20 20 TYR N N 20 122.000 122.000 123.490 -1.490 18327 2508 1 10 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.681 0.029 18327 2509 1 10 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.024 -0.304 18327 2510 1 10 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.602 -0.352 18327 2511 1 10 . 1 1 20 20 TYR H H 20 8.994 8.994 8.787 0.207 18327 2512 1 10 . 1 1 21 21 ASP N N 21 128.500 128.500 121.520 6.980 18327 2513 1 10 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.785 0.005 18327 2514 1 10 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.847 0.523 18327 2515 1 10 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.219 -2.089 18327 2516 1 10 . 1 1 21 21 ASP H H 21 7.839 7.839 7.591 0.248 18327 2517 1 10 . 1 1 22 22 ALA N N 22 125.200 125.200 121.686 3.514 18327 2518 1 10 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.433 -0.383 18327 2519 1 10 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.636 0.304 18327 2520 1 10 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.532 0.918 18327 2521 1 10 . 1 1 22 22 ALA H H 22 8.107 8.107 8.502 -0.395 18327 2522 1 10 . 1 1 23 23 ARG N N 23 122.200 122.200 120.797 1.403 18327 2523 1 10 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.368 -0.018 18327 2524 1 10 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.489 0.001 18327 2525 1 10 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.156 -0.456 18327 2526 1 10 . 1 1 23 23 ARG H H 23 8.889 8.889 8.605 0.284 18327 2527 1 10 . 1 1 24 24 GLY N N 24 105.200 105.200 107.789 -2.589 18327 2528 1 10 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.187 -0.687 18327 2529 1 10 . 1 1 24 24 GLY H H 24 7.267 7.267 7.572 -0.305 18327 2530 1 10 . 1 1 25 25 ALA N N 25 122.200 122.200 122.431 -0.231 18327 2531 1 10 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.289 -0.129 18327 2532 1 10 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.046 0.394 18327 2533 1 10 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.793 -0.023 18327 2534 1 10 . 1 1 25 25 ALA H H 25 8.621 8.621 8.435 0.186 18327 2535 1 10 . 1 1 26 26 ASP N N 26 114.700 114.700 119.386 -4.686 18327 2536 1 10 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.752 -0.052 18327 2537 1 10 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.767 0.103 18327 2538 1 10 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.383 0.007 18327 2539 1 10 . 1 1 26 26 ASP H H 26 8.949 8.949 8.565 0.384 18327 2540 1 10 . 1 1 27 27 GLU N N 27 118.800 118.800 117.679 1.121 18327 2541 1 10 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.661 0.559 18327 2542 1 10 . 1 1 27 27 GLU CA C 27 54.930 54.930 53.768 1.162 18327 2543 1 10 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.291 0.590 18327 2544 1 10 . 1 1 27 27 GLU H H 27 7.542 7.542 7.542 -0.000 18327 2545 1 10 . 1 1 28 28 LEU N N 28 121.400 121.400 119.645 1.755 18327 2546 1 10 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.755 0.005 18327 2547 1 10 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.111 -0.991 18327 2548 1 10 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.532 -1.032 18327 2549 1 10 . 1 1 28 28 LEU H H 28 8.897 8.897 8.282 0.615 18327 2550 1 10 . 1 1 29 29 SER N N 29 115.700 115.700 118.241 -2.541 18327 2551 1 10 . 1 1 29 29 SER HA H 29 5.030 5.030 5.100 -0.070 18327 2552 1 10 . 1 1 29 29 SER CA C 29 58.470 58.470 57.750 0.720 18327 2553 1 10 . 1 1 29 29 SER CB C 29 63.690 63.690 64.415 -0.725 18327 2554 1 10 . 1 1 29 29 SER H H 29 7.949 7.949 8.396 -0.447 18327 2555 1 10 . 1 1 30 30 LEU N N 30 121.300 121.300 120.473 0.827 18327 2556 1 10 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.614 0.186 18327 2557 1 10 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.515 -2.575 18327 2558 1 10 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.756 -0.386 18327 2559 1 10 . 1 1 30 30 LEU H H 30 9.503 9.503 8.650 0.853 18327 2560 1 10 . 1 1 31 31 GLN N N 31 123.100 123.100 120.922 2.178 18327 2561 1 10 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.713 0.357 18327 2562 1 10 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.293 -1.353 18327 2563 1 10 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.501 -1.311 18327 2564 1 10 . 1 1 31 31 GLN H H 31 9.152 9.152 8.506 0.646 18327 2565 1 10 . 1 1 32 32 ILE N N 32 120.800 120.800 122.398 -1.598 18327 2566 1 10 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.767 -0.737 18327 2567 1 10 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.642 1.608 18327 2568 1 10 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.429 0.511 18327 2569 1 10 . 1 1 32 32 ILE H H 32 8.019 8.019 8.687 -0.668 18327 2570 1 10 . 1 1 33 33 GLY N N 33 115.700 115.700 114.571 1.129 18327 2571 1 10 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.882 -0.382 18327 2572 1 10 . 1 1 33 33 GLY H H 33 8.777 8.777 8.642 0.135 18327 2573 1 10 . 1 1 34 34 ASP N N 34 122.300 122.300 122.242 0.058 18327 2574 1 10 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.873 -0.233 18327 2575 1 10 . 1 1 34 34 ASP CA C 34 55.860 55.860 54.280 1.580 18327 2576 1 10 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.614 -1.304 18327 2577 1 10 . 1 1 34 34 ASP H H 34 8.690 8.690 7.727 0.963 18327 2578 1 10 . 1 1 35 35 THR N N 35 117.900 117.900 116.239 1.661 18327 2579 1 10 . 1 1 35 35 THR HA H 35 5.160 5.160 5.070 0.090 18327 2580 1 10 . 1 1 35 35 THR CA C 35 61.450 61.450 61.900 -0.450 18327 2581 1 10 . 1 1 35 35 THR CB C 35 69.090 69.090 70.257 -1.167 18327 2582 1 10 . 1 1 35 35 THR H H 35 8.389 8.389 8.329 0.060 18327 2583 1 10 . 1 1 36 36 VAL N N 36 118.200 118.200 115.888 2.312 18327 2584 1 10 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.453 0.647 18327 2585 1 10 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.820 -2.910 18327 2586 1 10 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.254 -1.064 18327 2587 1 10 . 1 1 36 36 VAL H H 36 9.019 9.019 8.990 0.029 18327 2588 1 10 . 1 1 37 37 HIS N N 37 122.100 122.100 119.550 2.550 18327 2589 1 10 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.984 -0.144 18327 2590 1 10 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.568 -2.008 18327 2591 1 10 . 1 1 37 37 HIS CB C 37 31.260 31.260 32.977 -1.717 18327 2592 1 10 . 1 1 37 37 HIS H H 37 8.489 8.489 8.140 0.349 18327 2593 1 10 . 1 1 38 38 ILE N N 38 126.400 126.400 125.150 1.250 18327 2594 1 10 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.156 -0.376 18327 2595 1 10 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.906 0.734 18327 2596 1 10 . 1 1 38 38 ILE CB C 38 38.880 38.880 39.036 -0.156 18327 2597 1 10 . 1 1 38 38 ILE H H 38 8.636 8.636 8.144 0.492 18327 2598 1 10 . 1 1 39 39 LEU N N 39 126.000 126.000 124.808 1.192 18327 2599 1 10 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.781 -0.381 18327 2600 1 10 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.248 0.242 18327 2601 1 10 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.154 -0.404 18327 2602 1 10 . 1 1 39 39 LEU H H 39 9.162 9.162 8.528 0.634 18327 2603 1 10 . 1 1 40 40 GLU N N 40 115.100 115.100 116.850 -1.750 18327 2604 1 10 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.643 3.252 18327 2605 1 10 . 1 1 41 41 THR N N 41 116.400 116.400 114.298 2.102 18327 2606 1 10 . 1 1 41 41 THR HA H 41 4.270 4.270 4.616 -0.346 18327 2607 1 10 . 1 1 41 41 THR CA C 41 60.890 60.890 61.467 -0.577 18327 2608 1 10 . 1 1 41 41 THR CB C 41 69.650 69.650 69.920 -0.270 18327 2609 1 10 . 1 1 41 41 THR H H 41 8.162 8.162 8.532 -0.370 18327 2610 1 10 . 1 1 43 43 GLU N N 43 123.300 123.300 120.815 2.485 18327 2611 1 10 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.409 -0.139 18327 2612 1 10 . 1 1 43 43 GLU CA C 43 57.350 57.350 56.523 0.827 18327 2613 1 10 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.159 -2.369 18327 2614 1 10 . 1 1 43 43 GLU H H 43 8.108 8.108 8.302 -0.194 18327 2615 1 10 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.532 -0.092 18327 2616 1 10 . 1 1 45 45 TRP N N 45 124.100 124.100 120.886 3.214 18327 2617 1 10 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.731 -0.041 18327 2618 1 10 . 1 1 45 45 TRP H H 45 8.590 8.590 7.469 1.121 18327 2619 1 10 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.587 1.013 18327 2620 1 10 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.096 -3.035 18327 2621 1 10 . 1 1 46 46 TYR CB C 46 42.060 42.060 42.160 -0.100 18327 2622 1 10 . 1 1 47 47 ARG N N 47 118.100 118.100 124.088 -5.988 18327 2623 1 10 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.914 0.156 18327 2624 1 10 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.591 -0.531 18327 2625 1 10 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.261 -0.011 18327 2626 1 10 . 1 1 47 47 ARG H H 47 8.495 8.495 9.118 -0.623 18327 2627 1 10 . 1 1 48 48 GLY N N 48 114.000 114.000 114.658 -0.658 18327 2628 1 10 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.356 0.204 18327 2629 1 10 . 1 1 48 48 GLY H H 48 9.183 9.183 8.973 0.210 18327 2630 1 10 . 1 1 49 49 TYR N N 49 116.200 116.200 116.679 -0.479 18327 2631 1 10 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.156 0.224 18327 2632 1 10 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.772 -1.662 18327 2633 1 10 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.819 0.931 18327 2634 1 10 . 1 1 49 49 TYR H H 49 8.199 8.199 8.543 -0.344 18327 2635 1 10 . 1 1 50 50 THR N N 50 112.200 112.200 113.311 -1.111 18327 2636 1 10 . 1 1 50 50 THR HA H 50 5.120 5.120 4.102 1.018 18327 2637 1 10 . 1 1 50 50 THR CA C 50 59.770 59.770 61.921 -2.151 18327 2638 1 10 . 1 1 50 50 THR CB C 50 69.460 69.460 69.914 -0.454 18327 2639 1 10 . 1 1 50 50 THR H H 50 9.436 9.436 8.626 0.810 18327 2640 1 10 . 1 1 51 51 LEU N N 51 121.300 121.300 119.814 1.486 18327 2641 1 10 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.303 -0.073 18327 2642 1 10 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.496 0.294 18327 2643 1 10 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.002 -2.002 18327 2644 1 10 . 1 1 51 51 LEU H H 51 8.313 8.313 7.977 0.336 18327 2645 1 10 . 1 1 52 52 ARG N N 52 116.600 116.600 118.335 -1.735 18327 2646 1 10 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.091 0.159 18327 2647 1 10 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.912 -0.562 18327 2648 1 10 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.646 -0.136 18327 2649 1 10 . 1 1 52 52 ARG H H 52 8.053 8.053 8.159 -0.106 18327 2650 1 10 . 1 1 53 53 LYS N N 53 122.600 122.600 117.568 5.032 18327 2651 1 10 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.518 0.102 18327 2652 1 10 . 1 1 53 53 LYS CA C 53 54.620 54.620 54.966 -0.346 18327 2653 1 10 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.049 -0.739 18327 2654 1 10 . 1 1 53 53 LYS H H 53 7.655 7.655 7.513 0.142 18327 2655 1 10 . 1 1 54 54 LYS N N 54 124.900 124.900 124.142 0.758 18327 2656 1 10 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.423 -0.333 18327 2657 1 10 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.462 0.008 18327 2658 1 10 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.485 -0.355 18327 2659 1 10 . 1 1 54 54 LYS H H 54 8.499 8.499 8.683 -0.184 18327 2660 1 10 . 1 1 55 55 SER N N 55 110.100 110.100 113.758 -3.658 18327 2661 1 10 . 1 1 55 55 SER HA H 55 4.140 4.140 4.300 -0.160 18327 2662 1 10 . 1 1 55 55 SER CA C 55 58.470 58.470 60.035 -1.565 18327 2663 1 10 . 1 1 55 55 SER CB C 55 63.310 63.310 63.201 0.109 18327 2664 1 10 . 1 1 55 55 SER H H 55 7.862 7.862 8.035 -0.173 18327 2665 1 10 . 1 1 56 56 LYS N N 56 124.000 124.000 122.367 1.633 18327 2666 1 10 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.478 0.222 18327 2667 1 10 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.259 -0.449 18327 2668 1 10 . 1 1 56 56 LYS CB C 56 33.250 33.250 31.964 1.286 18327 2669 1 10 . 1 1 56 56 LYS H H 56 7.481 7.481 7.994 -0.513 18327 2670 1 10 . 1 1 57 57 LYS N N 57 125.700 125.700 121.478 4.222 18327 2671 1 10 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.463 0.867 18327 2672 1 10 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.607 -0.987 18327 2673 1 10 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.314 -0.074 18327 2674 1 10 . 1 1 57 57 LYS H H 57 8.475 8.475 7.737 0.738 18327 2675 1 10 . 1 1 58 58 GLY N N 58 109.400 109.400 107.102 2.298 18327 2676 1 10 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.323 0.297 18327 2677 1 10 . 1 1 58 58 GLY H H 58 9.073 9.073 8.955 0.118 18327 2678 1 10 . 1 1 59 59 ILE N N 59 113.900 113.900 117.624 -3.724 18327 2679 1 10 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.131 0.869 18327 2680 1 10 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.438 1.152 18327 2681 1 10 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.419 -1.279 18327 2682 1 10 . 1 1 59 59 ILE H H 59 8.628 8.628 8.045 0.583 18327 2683 1 10 . 1 1 60 60 PHE N N 60 116.900 116.900 113.917 2.983 18327 2684 1 10 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.150 -0.030 18327 2685 1 10 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.995 -0.935 18327 2686 1 10 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.324 -3.134 18327 2687 1 10 . 1 1 60 60 PHE H H 60 8.724 8.724 8.552 0.172 18327 2688 1 10 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.865 -0.385 18327 2689 1 10 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.363 -0.163 18327 2690 1 10 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.201 -0.011 18327 2691 1 10 . 1 1 62 62 ALA N N 62 124.600 124.600 128.754 -4.154 18327 2692 1 10 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.517 -0.797 18327 2693 1 10 . 1 1 62 62 ALA CA C 62 54.370 54.370 55.530 -1.160 18327 2694 1 10 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.529 -0.879 18327 2695 1 10 . 1 1 62 62 ALA H H 62 7.898 7.898 8.699 -0.801 18327 2696 1 10 . 1 1 63 63 SER N N 63 109.700 109.700 113.585 -3.885 18327 2697 1 10 . 1 1 63 63 SER HA H 63 4.200 4.200 4.242 -0.042 18327 2698 1 10 . 1 1 63 63 SER CA C 63 59.400 59.400 60.999 -1.599 18327 2699 1 10 . 1 1 63 63 SER CB C 63 62.380 62.380 62.963 -0.583 18327 2700 1 10 . 1 1 63 63 SER H H 63 8.030 8.030 8.495 -0.465 18327 2701 1 10 . 1 1 64 64 TYR N N 64 120.300 120.300 117.170 3.130 18327 2702 1 10 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.542 -0.282 18327 2703 1 10 . 1 1 64 64 TYR CA C 64 57.720 57.720 59.279 -1.559 18327 2704 1 10 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.428 -0.868 18327 2705 1 10 . 1 1 64 64 TYR H H 64 7.124 7.124 7.497 -0.373 18327 2706 1 10 . 1 1 65 65 ILE N N 65 118.000 118.000 117.846 0.154 18327 2707 1 10 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.886 -0.056 18327 2708 1 10 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.160 -2.180 18327 2709 1 10 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.510 1.120 18327 2710 1 10 . 1 1 65 65 ILE H H 65 7.671 7.671 7.608 0.063 18327 2711 1 10 . 1 1 66 66 HIS N N 66 124.500 124.500 122.399 2.101 18327 2712 1 10 . 1 1 66 66 HIS HA H 66 5.130 5.130 5.022 0.108 18327 2713 1 10 . 1 1 66 66 HIS CA C 66 53.060 53.060 53.764 -0.704 18327 2714 1 10 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.089 -1.579 18327 2715 1 10 . 1 1 66 66 HIS H H 66 9.159 9.159 9.043 0.116 18327 2716 1 10 . 1 1 67 67 LEU N N 67 127.400 127.400 124.966 2.434 18327 2717 1 10 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.422 0.138 18327 2718 1 10 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.715 -0.415 18327 2719 1 10 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.185 -0.125 18327 2720 1 10 . 1 1 67 67 LEU H H 67 8.979 8.979 8.934 0.045 18327 2721 1 10 . 1 1 68 68 LYS N N 68 121.900 121.900 121.126 0.774 18327 2722 1 10 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.387 0.103 18327 2723 1 10 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.788 -0.678 18327 2724 1 10 . 1 1 68 68 LYS CB C 68 34.610 34.610 35.140 -0.530 18327 2725 1 10 . 1 1 68 68 LYS H H 68 8.499 8.499 8.676 -0.177 18327 2726 1 10 . 1 1 69 69 GLU N N 69 122.100 122.100 124.924 -2.824 18327 2727 1 10 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.275 0.015 18327 2728 1 10 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.882 -1.272 18327 2729 1 10 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.479 0.851 18327 2730 1 10 . 1 1 69 69 GLU H H 69 8.569 8.569 8.645 -0.076 18327 2731 1 10 . 1 1 70 70 ALA N N 70 123.300 123.300 124.687 -1.387 18327 2732 1 10 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.222 -0.012 18327 2733 1 10 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.558 -0.748 18327 2734 1 10 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.896 0.804 18327 2735 1 10 . 1 1 70 70 ALA H H 70 8.181 8.181 8.426 -0.245 18327 2736 1 10 . 1 1 71 71 ILE N N 71 120.000 120.000 123.296 -3.296 18327 2737 1 10 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.099 -0.029 18327 2738 1 10 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.399 -1.069 18327 2739 1 10 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.740 -0.050 18327 2740 1 10 . 1 1 71 71 ILE H H 71 7.789 7.789 8.062 -0.273 18327 2741 1 10 . 1 1 72 72 VAL N N 72 124.400 124.400 120.374 4.026 18327 2742 1 10 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.152 -0.082 18327 2743 1 10 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.861 -0.221 18327 2744 1 10 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.118 0.572 18327 2745 1 10 . 1 1 72 72 VAL H H 72 8.089 8.089 8.274 -0.185 18327 2746 1 10 . 1 1 73 73 GLU N N 73 125.940 125.940 119.815 6.125 18327 2747 1 10 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.312 -0.012 18327 2748 1 10 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.974 0.636 18327 2749 1 10 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.091 0.619 18327 2750 1 10 . 1 1 73 73 GLU H H 73 8.464 8.464 8.355 0.109 18327 2751 1 11 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.549 1.011 18327 2752 1 11 . 1 1 13 13 TYR CA C 13 55.860 55.860 57.307 -1.447 18327 2753 1 11 . 1 1 13 13 TYR CB C 13 42.440 42.440 42.016 0.424 18327 2754 1 11 . 1 1 14 14 GLY N N 14 105.400 105.400 107.052 -1.652 18327 2755 1 11 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.651 1.589 18327 2756 1 11 . 1 1 14 14 GLY H H 14 8.406 8.406 8.441 -0.035 18327 2757 1 11 . 1 1 15 15 VAL N N 15 118.900 118.900 122.569 -3.669 18327 2758 1 11 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.831 0.499 18327 2759 1 11 . 1 1 15 15 VAL CA C 15 59.210 59.210 61.029 -1.819 18327 2760 1 11 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.507 -0.767 18327 2761 1 11 . 1 1 15 15 VAL H H 15 8.854 8.854 8.200 0.654 18327 2762 1 11 . 1 1 16 16 ALA N N 16 129.400 129.400 128.242 1.158 18327 2763 1 11 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.703 0.297 18327 2764 1 11 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.231 0.769 18327 2765 1 11 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.255 -0.925 18327 2766 1 11 . 1 1 16 16 ALA H H 16 9.112 9.112 9.081 0.031 18327 2767 1 11 . 1 1 17 17 PHE N N 17 123.900 123.900 125.132 -1.232 18327 2768 1 11 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.677 0.063 18327 2769 1 11 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.108 -0.878 18327 2770 1 11 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.963 -0.963 18327 2771 1 11 . 1 1 17 17 PHE H H 17 8.785 8.785 8.291 0.494 18327 2772 1 11 . 1 1 18 18 TYR N N 18 118.100 118.100 119.430 -1.330 18327 2773 1 11 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.500 -0.010 18327 2774 1 11 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.533 -2.233 18327 2775 1 11 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.080 1.730 18327 2776 1 11 . 1 1 18 18 TYR H H 18 7.288 7.288 7.650 -0.362 18327 2777 1 11 . 1 1 19 19 ASN N N 19 116.800 116.800 121.113 -4.313 18327 2778 1 11 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.850 -0.140 18327 2779 1 11 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.480 -0.540 18327 2780 1 11 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.488 -0.428 18327 2781 1 11 . 1 1 19 19 ASN H H 19 8.122 8.122 8.629 -0.507 18327 2782 1 11 . 1 1 20 20 TYR N N 20 122.000 122.000 121.949 0.051 18327 2783 1 11 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.687 0.023 18327 2784 1 11 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.856 -0.136 18327 2785 1 11 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.963 -0.713 18327 2786 1 11 . 1 1 20 20 TYR H H 20 8.994 8.994 8.430 0.564 18327 2787 1 11 . 1 1 21 21 ASP N N 21 128.500 128.500 120.676 7.824 18327 2788 1 11 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.875 -0.085 18327 2789 1 11 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.063 0.307 18327 2790 1 11 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.778 -2.648 18327 2791 1 11 . 1 1 21 21 ASP H H 21 7.839 7.839 7.757 0.082 18327 2792 1 11 . 1 1 22 22 ALA N N 22 125.200 125.200 124.701 0.499 18327 2793 1 11 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.294 -0.244 18327 2794 1 11 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.078 -0.138 18327 2795 1 11 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.430 1.020 18327 2796 1 11 . 1 1 22 22 ALA H H 22 8.107 8.107 8.351 -0.244 18327 2797 1 11 . 1 1 23 23 ARG N N 23 122.200 122.200 121.555 0.645 18327 2798 1 11 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.119 0.231 18327 2799 1 11 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.474 -1.984 18327 2800 1 11 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.783 -0.083 18327 2801 1 11 . 1 1 23 23 ARG H H 23 8.889 8.889 8.699 0.190 18327 2802 1 11 . 1 1 24 24 GLY N N 24 105.200 105.200 104.365 0.835 18327 2803 1 11 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.559 -0.059 18327 2804 1 11 . 1 1 24 24 GLY H H 24 7.267 7.267 7.559 -0.292 18327 2805 1 11 . 1 1 25 25 ALA N N 25 122.200 122.200 121.158 1.042 18327 2806 1 11 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.359 -0.199 18327 2807 1 11 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.036 0.404 18327 2808 1 11 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.132 -0.362 18327 2809 1 11 . 1 1 25 25 ALA H H 25 8.621 8.621 8.448 0.173 18327 2810 1 11 . 1 1 26 26 ASP N N 26 114.700 114.700 118.888 -4.188 18327 2811 1 11 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.735 -0.035 18327 2812 1 11 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.978 -0.108 18327 2813 1 11 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.280 0.110 18327 2814 1 11 . 1 1 26 26 ASP H H 26 8.949 8.949 8.492 0.457 18327 2815 1 11 . 1 1 27 27 GLU N N 27 118.800 118.800 118.143 0.657 18327 2816 1 11 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.954 0.266 18327 2817 1 11 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.544 0.386 18327 2818 1 11 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.356 0.524 18327 2819 1 11 . 1 1 27 27 GLU H H 27 7.542 7.542 7.607 -0.065 18327 2820 1 11 . 1 1 28 28 LEU N N 28 121.400 121.400 120.699 0.701 18327 2821 1 11 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.755 0.005 18327 2822 1 11 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.267 -1.147 18327 2823 1 11 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.416 -0.916 18327 2824 1 11 . 1 1 28 28 LEU H H 28 8.897 8.897 8.270 0.627 18327 2825 1 11 . 1 1 29 29 SER N N 29 115.700 115.700 119.588 -3.888 18327 2826 1 11 . 1 1 29 29 SER HA H 29 5.030 5.030 5.023 0.007 18327 2827 1 11 . 1 1 29 29 SER CA C 29 58.470 58.470 58.771 -0.301 18327 2828 1 11 . 1 1 29 29 SER CB C 29 63.690 63.690 63.921 -0.231 18327 2829 1 11 . 1 1 29 29 SER H H 29 7.949 7.949 8.537 -0.588 18327 2830 1 11 . 1 1 30 30 LEU N N 30 121.300 121.300 120.036 1.264 18327 2831 1 11 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.646 0.154 18327 2832 1 11 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.647 -2.707 18327 2833 1 11 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.894 0.476 18327 2834 1 11 . 1 1 30 30 LEU H H 30 9.503 9.503 8.339 1.164 18327 2835 1 11 . 1 1 31 31 GLN N N 31 123.100 123.100 120.806 2.294 18327 2836 1 11 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.747 0.323 18327 2837 1 11 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.584 -1.644 18327 2838 1 11 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.408 -1.218 18327 2839 1 11 . 1 1 31 31 GLN H H 31 9.152 9.152 8.369 0.783 18327 2840 1 11 . 1 1 32 32 ILE N N 32 120.800 120.800 120.719 0.081 18327 2841 1 11 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.934 -0.904 18327 2842 1 11 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.032 2.218 18327 2843 1 11 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.387 0.553 18327 2844 1 11 . 1 1 32 32 ILE H H 32 8.019 8.019 8.521 -0.502 18327 2845 1 11 . 1 1 33 33 GLY N N 33 115.700 115.700 114.477 1.223 18327 2846 1 11 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.980 -0.480 18327 2847 1 11 . 1 1 33 33 GLY H H 33 8.777 8.777 8.944 -0.167 18327 2848 1 11 . 1 1 34 34 ASP N N 34 122.300 122.300 121.224 1.076 18327 2849 1 11 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.964 -0.324 18327 2850 1 11 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.225 2.635 18327 2851 1 11 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.383 -1.073 18327 2852 1 11 . 1 1 34 34 ASP H H 34 8.690 8.690 7.661 1.029 18327 2853 1 11 . 1 1 35 35 THR N N 35 117.900 117.900 115.204 2.696 18327 2854 1 11 . 1 1 35 35 THR HA H 35 5.160 5.160 5.219 -0.059 18327 2855 1 11 . 1 1 35 35 THR CA C 35 61.450 61.450 61.205 0.245 18327 2856 1 11 . 1 1 35 35 THR CB C 35 69.090 69.090 70.469 -1.379 18327 2857 1 11 . 1 1 35 35 THR H H 35 8.389 8.389 8.358 0.031 18327 2858 1 11 . 1 1 36 36 VAL N N 36 118.200 118.200 116.672 1.528 18327 2859 1 11 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.779 0.321 18327 2860 1 11 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.662 -1.752 18327 2861 1 11 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.900 -0.710 18327 2862 1 11 . 1 1 36 36 VAL H H 36 9.019 9.019 8.953 0.066 18327 2863 1 11 . 1 1 37 37 HIS N N 37 122.100 122.100 119.135 2.965 18327 2864 1 11 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.944 -0.104 18327 2865 1 11 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.765 -2.205 18327 2866 1 11 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.081 -1.821 18327 2867 1 11 . 1 1 37 37 HIS H H 37 8.489 8.489 8.409 0.080 18327 2868 1 11 . 1 1 38 38 ILE N N 38 126.400 126.400 125.402 0.998 18327 2869 1 11 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.181 -0.401 18327 2870 1 11 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.937 0.703 18327 2871 1 11 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.404 0.476 18327 2872 1 11 . 1 1 38 38 ILE H H 38 8.636 8.636 8.260 0.376 18327 2873 1 11 . 1 1 39 39 LEU N N 39 126.000 126.000 125.697 0.303 18327 2874 1 11 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.856 -0.456 18327 2875 1 11 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.169 0.321 18327 2876 1 11 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.228 -0.478 18327 2877 1 11 . 1 1 39 39 LEU H H 39 9.162 9.162 8.234 0.928 18327 2878 1 11 . 1 1 40 40 GLU N N 40 115.100 115.100 116.754 -1.654 18327 2879 1 11 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.642 3.253 18327 2880 1 11 . 1 1 41 41 THR N N 41 116.400 116.400 113.153 3.247 18327 2881 1 11 . 1 1 41 41 THR HA H 41 4.270 4.270 4.786 -0.516 18327 2882 1 11 . 1 1 41 41 THR CA C 41 60.890 60.890 60.803 0.086 18327 2883 1 11 . 1 1 41 41 THR CB C 41 69.650 69.650 69.940 -0.290 18327 2884 1 11 . 1 1 41 41 THR H H 41 8.162 8.162 8.397 -0.235 18327 2885 1 11 . 1 1 43 43 GLU N N 43 123.300 123.300 121.407 1.893 18327 2886 1 11 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.312 -0.042 18327 2887 1 11 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.554 1.796 18327 2888 1 11 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.493 -2.703 18327 2889 1 11 . 1 1 43 43 GLU H H 43 8.108 8.108 8.411 -0.303 18327 2890 1 11 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.049 0.391 18327 2891 1 11 . 1 1 45 45 TRP N N 45 124.100 124.100 120.428 3.672 18327 2892 1 11 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.643 0.047 18327 2893 1 11 . 1 1 45 45 TRP H H 45 8.590 8.590 7.386 1.204 18327 2894 1 11 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.512 1.088 18327 2895 1 11 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.036 -2.976 18327 2896 1 11 . 1 1 46 46 TYR CB C 46 42.060 42.060 42.008 0.052 18327 2897 1 11 . 1 1 47 47 ARG N N 47 118.100 118.100 123.109 -5.009 18327 2898 1 11 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.896 0.174 18327 2899 1 11 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.864 -0.804 18327 2900 1 11 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.647 -0.397 18327 2901 1 11 . 1 1 47 47 ARG H H 47 8.495 8.495 9.169 -0.674 18327 2902 1 11 . 1 1 48 48 GLY N N 48 114.000 114.000 115.064 -1.064 18327 2903 1 11 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.733 -0.173 18327 2904 1 11 . 1 1 48 48 GLY H H 48 9.183 9.183 9.339 -0.156 18327 2905 1 11 . 1 1 49 49 TYR N N 49 116.200 116.200 117.335 -1.135 18327 2906 1 11 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.109 0.271 18327 2907 1 11 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.803 -1.693 18327 2908 1 11 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.824 0.926 18327 2909 1 11 . 1 1 49 49 TYR H H 49 8.199 8.199 8.537 -0.338 18327 2910 1 11 . 1 1 50 50 THR N N 50 112.200 112.200 111.987 0.213 18327 2911 1 11 . 1 1 50 50 THR HA H 50 5.120 5.120 4.108 1.012 18327 2912 1 11 . 1 1 50 50 THR CA C 50 59.770 59.770 61.523 -1.753 18327 2913 1 11 . 1 1 50 50 THR CB C 50 69.460 69.460 69.946 -0.486 18327 2914 1 11 . 1 1 50 50 THR H H 50 9.436 9.436 8.599 0.837 18327 2915 1 11 . 1 1 51 51 LEU N N 51 121.300 121.300 120.574 0.726 18327 2916 1 11 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.260 -0.030 18327 2917 1 11 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.735 1.055 18327 2918 1 11 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.033 -2.034 18327 2919 1 11 . 1 1 51 51 LEU H H 51 8.313 8.313 8.259 0.054 18327 2920 1 11 . 1 1 52 52 ARG N N 52 116.600 116.600 119.219 -2.619 18327 2921 1 11 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.062 0.188 18327 2922 1 11 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.963 -0.613 18327 2923 1 11 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.525 -0.015 18327 2924 1 11 . 1 1 52 52 ARG H H 52 8.053 8.053 7.506 0.547 18327 2925 1 11 . 1 1 53 53 LYS N N 53 122.600 122.600 115.698 6.902 18327 2926 1 11 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.525 0.095 18327 2927 1 11 . 1 1 53 53 LYS CA C 53 54.620 54.620 54.938 -0.318 18327 2928 1 11 . 1 1 53 53 LYS CB C 53 32.310 32.310 32.983 -0.673 18327 2929 1 11 . 1 1 53 53 LYS H H 53 7.655 7.655 7.688 -0.033 18327 2930 1 11 . 1 1 54 54 LYS N N 54 124.900 124.900 124.803 0.097 18327 2931 1 11 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.403 -0.313 18327 2932 1 11 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.209 0.261 18327 2933 1 11 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.716 -0.586 18327 2934 1 11 . 1 1 54 54 LYS H H 54 8.499 8.499 8.785 -0.286 18327 2935 1 11 . 1 1 55 55 SER N N 55 110.100 110.100 113.282 -3.182 18327 2936 1 11 . 1 1 55 55 SER HA H 55 4.140 4.140 4.269 -0.129 18327 2937 1 11 . 1 1 55 55 SER CA C 55 58.470 58.470 60.132 -1.662 18327 2938 1 11 . 1 1 55 55 SER CB C 55 63.310 63.310 63.135 0.175 18327 2939 1 11 . 1 1 55 55 SER H H 55 7.862 7.862 8.071 -0.209 18327 2940 1 11 . 1 1 56 56 LYS N N 56 124.000 124.000 122.651 1.349 18327 2941 1 11 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.503 0.197 18327 2942 1 11 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.604 -0.794 18327 2943 1 11 . 1 1 56 56 LYS CB C 56 33.250 33.250 34.144 -0.894 18327 2944 1 11 . 1 1 56 56 LYS H H 56 7.481 7.481 7.563 -0.082 18327 2945 1 11 . 1 1 57 57 LYS N N 57 125.700 125.700 120.708 4.992 18327 2946 1 11 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.626 0.704 18327 2947 1 11 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.839 -0.219 18327 2948 1 11 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.524 -2.284 18327 2949 1 11 . 1 1 57 57 LYS H H 57 8.475 8.475 8.370 0.105 18327 2950 1 11 . 1 1 58 58 GLY N N 58 109.400 109.400 107.022 2.378 18327 2951 1 11 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.322 0.298 18327 2952 1 11 . 1 1 58 58 GLY H H 58 9.073 9.073 8.660 0.413 18327 2953 1 11 . 1 1 59 59 ILE N N 59 113.900 113.900 117.472 -3.572 18327 2954 1 11 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.336 0.664 18327 2955 1 11 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.687 0.903 18327 2956 1 11 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.628 -0.488 18327 2957 1 11 . 1 1 59 59 ILE H H 59 8.628 8.628 8.367 0.261 18327 2958 1 11 . 1 1 60 60 PHE N N 60 116.900 116.900 114.462 2.438 18327 2959 1 11 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.119 0.001 18327 2960 1 11 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.155 -1.095 18327 2961 1 11 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.394 -3.204 18327 2962 1 11 . 1 1 60 60 PHE H H 60 8.724 8.724 8.577 0.147 18327 2963 1 11 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.911 -0.431 18327 2964 1 11 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.116 0.084 18327 2965 1 11 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.376 -0.186 18327 2966 1 11 . 1 1 62 62 ALA N N 62 124.600 124.600 127.146 -2.546 18327 2967 1 11 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.386 -0.666 18327 2968 1 11 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.835 -0.465 18327 2969 1 11 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.119 -0.469 18327 2970 1 11 . 1 1 62 62 ALA H H 62 7.898 7.898 8.130 -0.232 18327 2971 1 11 . 1 1 63 63 SER N N 63 109.700 109.700 110.976 -1.276 18327 2972 1 11 . 1 1 63 63 SER HA H 63 4.200 4.200 4.053 0.147 18327 2973 1 11 . 1 1 63 63 SER CA C 63 59.400 59.400 60.800 -1.400 18327 2974 1 11 . 1 1 63 63 SER CB C 63 62.380 62.380 62.906 -0.526 18327 2975 1 11 . 1 1 63 63 SER H H 63 8.030 8.030 7.335 0.695 18327 2976 1 11 . 1 1 64 64 TYR N N 64 120.300 120.300 117.022 3.278 18327 2977 1 11 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.401 -0.141 18327 2978 1 11 . 1 1 64 64 TYR CA C 64 57.720 57.720 59.000 -1.280 18327 2979 1 11 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.669 -1.109 18327 2980 1 11 . 1 1 64 64 TYR H H 64 7.124 7.124 7.048 0.076 18327 2981 1 11 . 1 1 65 65 ILE N N 65 118.000 118.000 117.056 0.944 18327 2982 1 11 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.633 0.197 18327 2983 1 11 . 1 1 65 65 ILE CA C 65 56.980 56.980 60.216 -3.236 18327 2984 1 11 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.499 1.131 18327 2985 1 11 . 1 1 65 65 ILE H H 65 7.671 7.671 7.253 0.418 18327 2986 1 11 . 1 1 66 66 HIS N N 66 124.500 124.500 121.764 2.736 18327 2987 1 11 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.815 0.315 18327 2988 1 11 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.711 -1.651 18327 2989 1 11 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.519 -3.009 18327 2990 1 11 . 1 1 66 66 HIS H H 66 9.159 9.159 8.921 0.238 18327 2991 1 11 . 1 1 67 67 LEU N N 67 127.400 127.400 124.536 2.864 18327 2992 1 11 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.658 -0.098 18327 2993 1 11 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.779 -0.479 18327 2994 1 11 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.167 -0.107 18327 2995 1 11 . 1 1 67 67 LEU H H 67 8.979 8.979 8.785 0.194 18327 2996 1 11 . 1 1 68 68 LYS N N 68 121.900 121.900 123.292 -1.392 18327 2997 1 11 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.486 0.004 18327 2998 1 11 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.903 -0.793 18327 2999 1 11 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.544 1.066 18327 3000 1 11 . 1 1 68 68 LYS H H 68 8.499 8.499 8.584 -0.085 18327 3001 1 11 . 1 1 69 69 GLU N N 69 122.100 122.100 121.252 0.848 18327 3002 1 11 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.237 0.053 18327 3003 1 11 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.606 0.004 18327 3004 1 11 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.683 0.647 18327 3005 1 11 . 1 1 69 69 GLU H H 69 8.569 8.569 7.931 0.638 18327 3006 1 11 . 1 1 70 70 ALA N N 70 123.300 123.300 127.224 -3.924 18327 3007 1 11 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.089 0.121 18327 3008 1 11 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.758 -0.948 18327 3009 1 11 . 1 1 70 70 ALA CB C 70 19.700 19.700 17.929 1.771 18327 3010 1 11 . 1 1 70 70 ALA H H 70 8.181 8.181 8.421 -0.240 18327 3011 1 11 . 1 1 71 71 ILE N N 71 120.000 120.000 116.731 3.269 18327 3012 1 11 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.028 0.042 18327 3013 1 11 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.236 -0.906 18327 3014 1 11 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.491 0.199 18327 3015 1 11 . 1 1 71 71 ILE H H 71 7.789 7.789 7.889 -0.100 18327 3016 1 11 . 1 1 72 72 VAL N N 72 124.400 124.400 124.223 0.177 18327 3017 1 11 . 1 1 72 72 VAL HA H 72 4.070 4.070 3.916 0.154 18327 3018 1 11 . 1 1 72 72 VAL CA C 72 61.640 61.640 63.217 -1.577 18327 3019 1 11 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.045 0.644 18327 3020 1 11 . 1 1 72 72 VAL H H 72 8.089 8.089 8.119 -0.030 18327 3021 1 11 . 1 1 73 73 GLU N N 73 125.940 125.940 120.859 5.081 18327 3022 1 11 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.186 0.114 18327 3023 1 11 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.880 -0.270 18327 3024 1 11 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.064 0.646 18327 3025 1 11 . 1 1 73 73 GLU H H 73 8.464 8.464 8.388 0.076 18327 3026 1 12 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.693 0.867 18327 3027 1 12 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.948 -0.088 18327 3028 1 12 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.546 0.894 18327 3029 1 12 . 1 1 14 14 GLY N N 14 105.400 105.400 105.820 -0.420 18327 3030 1 12 . 1 1 14 14 GLY CA C 14 45.240 45.240 44.327 0.913 18327 3031 1 12 . 1 1 14 14 GLY H H 14 8.406 8.406 8.508 -0.102 18327 3032 1 12 . 1 1 15 15 VAL N N 15 118.900 118.900 122.150 -3.250 18327 3033 1 12 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.779 0.551 18327 3034 1 12 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.590 -1.380 18327 3035 1 12 . 1 1 15 15 VAL CB C 15 35.740 35.740 34.743 0.997 18327 3036 1 12 . 1 1 15 15 VAL H H 15 8.854 8.854 8.486 0.368 18327 3037 1 12 . 1 1 16 16 ALA N N 16 129.400 129.400 128.241 1.159 18327 3038 1 12 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.448 0.552 18327 3039 1 12 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.832 0.168 18327 3040 1 12 . 1 1 16 16 ALA CB C 16 19.330 19.330 19.902 -0.572 18327 3041 1 12 . 1 1 16 16 ALA H H 16 9.112 9.112 8.999 0.113 18327 3042 1 12 . 1 1 17 17 PHE N N 17 123.900 123.900 124.208 -0.308 18327 3043 1 12 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.636 0.104 18327 3044 1 12 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.062 -0.832 18327 3045 1 12 . 1 1 17 17 PHE CB C 17 40.000 40.000 41.236 -1.236 18327 3046 1 12 . 1 1 17 17 PHE H H 17 8.785 8.785 8.528 0.257 18327 3047 1 12 . 1 1 18 18 TYR N N 18 118.100 118.100 118.979 -0.879 18327 3048 1 12 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.458 0.032 18327 3049 1 12 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.574 -2.273 18327 3050 1 12 . 1 1 18 18 TYR CB C 18 42.810 42.810 40.514 2.296 18327 3051 1 12 . 1 1 18 18 TYR H H 18 7.288 7.288 7.675 -0.387 18327 3052 1 12 . 1 1 19 19 ASN N N 19 116.800 116.800 121.300 -4.500 18327 3053 1 12 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.956 -0.246 18327 3054 1 12 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.918 -0.978 18327 3055 1 12 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.650 -0.590 18327 3056 1 12 . 1 1 19 19 ASN H H 19 8.122 8.122 8.540 -0.418 18327 3057 1 12 . 1 1 20 20 TYR N N 20 122.000 122.000 126.224 -4.224 18327 3058 1 12 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.828 -0.118 18327 3059 1 12 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.530 0.190 18327 3060 1 12 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.895 -0.645 18327 3061 1 12 . 1 1 20 20 TYR H H 20 8.994 8.994 8.998 -0.004 18327 3062 1 12 . 1 1 21 21 ASP N N 21 128.500 128.500 122.003 6.497 18327 3063 1 12 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.883 -0.093 18327 3064 1 12 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.594 -0.224 18327 3065 1 12 . 1 1 21 21 ASP CB C 21 41.130 41.130 44.046 -2.916 18327 3066 1 12 . 1 1 21 21 ASP H H 21 7.839 7.839 7.613 0.226 18327 3067 1 12 . 1 1 22 22 ALA N N 22 125.200 125.200 123.630 1.570 18327 3068 1 12 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.439 -0.389 18327 3069 1 12 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.111 -0.171 18327 3070 1 12 . 1 1 22 22 ALA CB C 22 20.450 20.450 18.908 1.542 18327 3071 1 12 . 1 1 22 22 ALA H H 22 8.107 8.107 8.268 -0.161 18327 3072 1 12 . 1 1 23 23 ARG N N 23 122.200 122.200 124.231 -2.031 18327 3073 1 12 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.416 -0.066 18327 3074 1 12 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.967 -0.477 18327 3075 1 12 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.707 -0.007 18327 3076 1 12 . 1 1 23 23 ARG H H 23 8.889 8.889 8.841 0.048 18327 3077 1 12 . 1 1 24 24 GLY N N 24 105.200 105.200 107.104 -1.904 18327 3078 1 12 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.628 -0.128 18327 3079 1 12 . 1 1 24 24 GLY H H 24 7.267 7.267 7.560 -0.293 18327 3080 1 12 . 1 1 25 25 ALA N N 25 122.200 122.200 121.474 0.726 18327 3081 1 12 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.362 -0.202 18327 3082 1 12 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.697 0.743 18327 3083 1 12 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.151 -0.381 18327 3084 1 12 . 1 1 25 25 ALA H H 25 8.621 8.621 8.464 0.157 18327 3085 1 12 . 1 1 26 26 ASP N N 26 114.700 114.700 119.389 -4.689 18327 3086 1 12 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.722 -0.022 18327 3087 1 12 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.789 0.081 18327 3088 1 12 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.094 0.296 18327 3089 1 12 . 1 1 26 26 ASP H H 26 8.949 8.949 8.533 0.416 18327 3090 1 12 . 1 1 27 27 GLU N N 27 118.800 118.800 119.033 -0.233 18327 3091 1 12 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.949 0.271 18327 3092 1 12 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.843 0.087 18327 3093 1 12 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.298 0.582 18327 3094 1 12 . 1 1 27 27 GLU H H 27 7.542 7.542 7.642 -0.100 18327 3095 1 12 . 1 1 28 28 LEU N N 28 121.400 121.400 120.552 0.848 18327 3096 1 12 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.716 0.044 18327 3097 1 12 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.577 -1.457 18327 3098 1 12 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.240 -0.740 18327 3099 1 12 . 1 1 28 28 LEU H H 28 8.897 8.897 8.239 0.658 18327 3100 1 12 . 1 1 29 29 SER N N 29 115.700 115.700 120.018 -4.318 18327 3101 1 12 . 1 1 29 29 SER HA H 29 5.030 5.030 4.542 0.488 18327 3102 1 12 . 1 1 29 29 SER CA C 29 58.470 58.470 59.937 -1.467 18327 3103 1 12 . 1 1 29 29 SER CB C 29 63.690 63.690 63.862 -0.172 18327 3104 1 12 . 1 1 29 29 SER H H 29 7.949 7.949 8.480 -0.531 18327 3105 1 12 . 1 1 30 30 LEU N N 30 121.300 121.300 121.052 0.248 18327 3106 1 12 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.728 0.072 18327 3107 1 12 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.537 -2.597 18327 3108 1 12 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.063 0.307 18327 3109 1 12 . 1 1 30 30 LEU H H 30 9.503 9.503 8.589 0.914 18327 3110 1 12 . 1 1 31 31 GLN N N 31 123.100 123.100 121.088 2.012 18327 3111 1 12 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.717 0.353 18327 3112 1 12 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.285 -1.345 18327 3113 1 12 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.498 -1.308 18327 3114 1 12 . 1 1 31 31 GLN H H 31 9.152 9.152 8.540 0.612 18327 3115 1 12 . 1 1 32 32 ILE N N 32 120.800 120.800 120.926 -0.126 18327 3116 1 12 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.668 -0.638 18327 3117 1 12 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.441 1.809 18327 3118 1 12 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.592 0.348 18327 3119 1 12 . 1 1 32 32 ILE H H 32 8.019 8.019 8.419 -0.400 18327 3120 1 12 . 1 1 33 33 GLY N N 33 115.700 115.700 114.296 1.404 18327 3121 1 12 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.837 -0.337 18327 3122 1 12 . 1 1 33 33 GLY H H 33 8.777 8.777 8.703 0.074 18327 3123 1 12 . 1 1 34 34 ASP N N 34 122.300 122.300 120.767 1.533 18327 3124 1 12 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.935 -0.295 18327 3125 1 12 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.815 2.045 18327 3126 1 12 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.498 -1.188 18327 3127 1 12 . 1 1 34 34 ASP H H 34 8.690 8.690 7.599 1.091 18327 3128 1 12 . 1 1 35 35 THR N N 35 117.900 117.900 114.923 2.977 18327 3129 1 12 . 1 1 35 35 THR HA H 35 5.160 5.160 5.016 0.144 18327 3130 1 12 . 1 1 35 35 THR CA C 35 61.450 61.450 61.715 -0.265 18327 3131 1 12 . 1 1 35 35 THR CB C 35 69.090 69.090 70.436 -1.346 18327 3132 1 12 . 1 1 35 35 THR H H 35 8.389 8.389 8.392 -0.003 18327 3133 1 12 . 1 1 36 36 VAL N N 36 118.200 118.200 116.566 1.634 18327 3134 1 12 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.757 0.343 18327 3135 1 12 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.549 -1.639 18327 3136 1 12 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.801 -0.611 18327 3137 1 12 . 1 1 36 36 VAL H H 36 9.019 9.019 9.118 -0.099 18327 3138 1 12 . 1 1 37 37 HIS N N 37 122.100 122.100 119.035 3.065 18327 3139 1 12 . 1 1 37 37 HIS HA H 37 4.840 4.840 5.040 -0.200 18327 3140 1 12 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.736 -2.176 18327 3141 1 12 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.050 -1.790 18327 3142 1 12 . 1 1 37 37 HIS H H 37 8.489 8.489 8.040 0.449 18327 3143 1 12 . 1 1 38 38 ILE N N 38 126.400 126.400 125.364 1.036 18327 3144 1 12 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.099 -0.319 18327 3145 1 12 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.205 0.435 18327 3146 1 12 . 1 1 38 38 ILE CB C 38 38.880 38.880 39.114 -0.234 18327 3147 1 12 . 1 1 38 38 ILE H H 38 8.636 8.636 8.537 0.099 18327 3148 1 12 . 1 1 39 39 LEU N N 39 126.000 126.000 122.814 3.186 18327 3149 1 12 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.737 -0.337 18327 3150 1 12 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.004 0.486 18327 3151 1 12 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.667 -0.917 18327 3152 1 12 . 1 1 39 39 LEU H H 39 9.162 9.162 8.389 0.773 18327 3153 1 12 . 1 1 40 40 GLU N N 40 115.100 115.100 117.812 -2.712 18327 3154 1 12 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.719 3.176 18327 3155 1 12 . 1 1 41 41 THR N N 41 116.400 116.400 111.279 5.121 18327 3156 1 12 . 1 1 41 41 THR HA H 41 4.270 4.270 4.917 -0.647 18327 3157 1 12 . 1 1 41 41 THR CA C 41 60.890 60.890 61.188 -0.298 18327 3158 1 12 . 1 1 41 41 THR CB C 41 69.650 69.650 71.083 -1.433 18327 3159 1 12 . 1 1 41 41 THR H H 41 8.162 8.162 8.413 -0.251 18327 3160 1 12 . 1 1 43 43 GLU N N 43 123.300 123.300 120.929 2.371 18327 3161 1 12 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.297 -0.027 18327 3162 1 12 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.896 1.454 18327 3163 1 12 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.617 -2.827 18327 3164 1 12 . 1 1 43 43 GLU H H 43 8.108 8.108 8.459 -0.351 18327 3165 1 12 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.114 0.327 18327 3166 1 12 . 1 1 45 45 TRP N N 45 124.100 124.100 120.322 3.778 18327 3167 1 12 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.620 0.070 18327 3168 1 12 . 1 1 45 45 TRP H H 45 8.590 8.590 6.761 1.829 18327 3169 1 12 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.609 0.991 18327 3170 1 12 . 1 1 46 46 TYR CA C 46 54.060 54.060 56.602 -2.542 18327 3171 1 12 . 1 1 46 46 TYR CB C 46 42.060 42.060 39.440 2.620 18327 3172 1 12 . 1 1 47 47 ARG N N 47 118.100 118.100 123.447 -5.347 18327 3173 1 12 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.759 0.311 18327 3174 1 12 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.297 -0.237 18327 3175 1 12 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.687 -0.437 18327 3176 1 12 . 1 1 47 47 ARG H H 47 8.495 8.495 8.990 -0.495 18327 3177 1 12 . 1 1 48 48 GLY N N 48 114.000 114.000 113.959 0.041 18327 3178 1 12 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.432 0.128 18327 3179 1 12 . 1 1 48 48 GLY H H 48 9.183 9.183 9.055 0.128 18327 3180 1 12 . 1 1 49 49 TYR N N 49 116.200 116.200 117.231 -1.031 18327 3181 1 12 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.116 0.264 18327 3182 1 12 . 1 1 49 49 TYR CA C 49 55.110 55.110 57.131 -2.021 18327 3183 1 12 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.665 1.085 18327 3184 1 12 . 1 1 49 49 TYR H H 49 8.199 8.199 8.406 -0.207 18327 3185 1 12 . 1 1 50 50 THR N N 50 112.200 112.200 112.822 -0.622 18327 3186 1 12 . 1 1 50 50 THR HA H 50 5.120 5.120 4.085 1.035 18327 3187 1 12 . 1 1 50 50 THR CA C 50 59.770 59.770 62.048 -2.278 18327 3188 1 12 . 1 1 50 50 THR CB C 50 69.460 69.460 69.780 -0.320 18327 3189 1 12 . 1 1 50 50 THR H H 50 9.436 9.436 8.620 0.816 18327 3190 1 12 . 1 1 51 51 LEU N N 51 121.300 121.300 119.875 1.425 18327 3191 1 12 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.332 -0.102 18327 3192 1 12 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.193 1.597 18327 3193 1 12 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.694 -1.694 18327 3194 1 12 . 1 1 51 51 LEU H H 51 8.313 8.313 8.189 0.124 18327 3195 1 12 . 1 1 52 52 ARG N N 52 116.600 116.600 118.334 -1.734 18327 3196 1 12 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.348 -0.098 18327 3197 1 12 . 1 1 52 52 ARG CA C 52 57.350 57.350 56.507 0.843 18327 3198 1 12 . 1 1 52 52 ARG CB C 52 30.510 30.510 31.321 -0.811 18327 3199 1 12 . 1 1 52 52 ARG H H 52 8.053 8.053 8.374 -0.321 18327 3200 1 12 . 1 1 53 53 LYS N N 53 122.600 122.600 119.136 3.464 18327 3201 1 12 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.521 0.099 18327 3202 1 12 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.390 -0.770 18327 3203 1 12 . 1 1 53 53 LYS CB C 53 32.310 32.310 34.028 -1.718 18327 3204 1 12 . 1 1 53 53 LYS H H 53 7.655 7.655 7.548 0.107 18327 3205 1 12 . 1 1 54 54 LYS N N 54 124.900 124.900 124.136 0.764 18327 3206 1 12 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.231 -0.141 18327 3207 1 12 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.085 0.385 18327 3208 1 12 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.651 -0.521 18327 3209 1 12 . 1 1 54 54 LYS H H 54 8.499 8.499 8.797 -0.298 18327 3210 1 12 . 1 1 55 55 SER N N 55 110.100 110.100 112.480 -2.380 18327 3211 1 12 . 1 1 55 55 SER HA H 55 4.140 4.140 4.314 -0.174 18327 3212 1 12 . 1 1 55 55 SER CA C 55 58.470 58.470 59.536 -1.066 18327 3213 1 12 . 1 1 55 55 SER CB C 55 63.310 63.310 63.247 0.063 18327 3214 1 12 . 1 1 55 55 SER H H 55 7.862 7.862 7.980 -0.118 18327 3215 1 12 . 1 1 56 56 LYS N N 56 124.000 124.000 122.366 1.634 18327 3216 1 12 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.472 0.228 18327 3217 1 12 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.180 -0.370 18327 3218 1 12 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.596 0.654 18327 3219 1 12 . 1 1 56 56 LYS H H 56 7.481 7.481 7.391 0.090 18327 3220 1 12 . 1 1 57 57 LYS N N 57 125.700 125.700 123.606 2.094 18327 3221 1 12 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.715 0.615 18327 3222 1 12 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.619 -0.999 18327 3223 1 12 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.266 -0.025 18327 3224 1 12 . 1 1 57 57 LYS H H 57 8.475 8.475 7.985 0.490 18327 3225 1 12 . 1 1 58 58 GLY N N 58 109.400 109.400 108.697 0.703 18327 3226 1 12 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.214 0.406 18327 3227 1 12 . 1 1 58 58 GLY H H 58 9.073 9.073 8.537 0.536 18327 3228 1 12 . 1 1 59 59 ILE N N 59 113.900 113.900 119.649 -5.749 18327 3229 1 12 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.828 1.172 18327 3230 1 12 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.592 -0.002 18327 3231 1 12 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.519 -1.379 18327 3232 1 12 . 1 1 59 59 ILE H H 59 8.628 8.628 8.353 0.275 18327 3233 1 12 . 1 1 60 60 PHE N N 60 116.900 116.900 117.003 -0.103 18327 3234 1 12 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.052 0.068 18327 3235 1 12 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.018 -0.958 18327 3236 1 12 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.753 -2.563 18327 3237 1 12 . 1 1 60 60 PHE H H 60 8.724 8.724 8.719 0.005 18327 3238 1 12 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.357 0.123 18327 3239 1 12 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.391 -0.191 18327 3240 1 12 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.018 0.172 18327 3241 1 12 . 1 1 62 62 ALA N N 62 124.600 124.600 127.142 -2.542 18327 3242 1 12 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.126 -0.406 18327 3243 1 12 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.475 -0.105 18327 3244 1 12 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.121 -0.471 18327 3245 1 12 . 1 1 62 62 ALA H H 62 7.898 7.898 8.175 -0.277 18327 3246 1 12 . 1 1 63 63 SER N N 63 109.700 109.700 112.041 -2.341 18327 3247 1 12 . 1 1 63 63 SER HA H 63 4.200 4.200 4.285 -0.085 18327 3248 1 12 . 1 1 63 63 SER CA C 63 59.400 59.400 60.355 -0.955 18327 3249 1 12 . 1 1 63 63 SER CB C 63 62.380 62.380 62.820 -0.440 18327 3250 1 12 . 1 1 63 63 SER H H 63 8.030 8.030 8.063 -0.033 18327 3251 1 12 . 1 1 64 64 TYR N N 64 120.300 120.300 119.617 0.683 18327 3252 1 12 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.374 -0.114 18327 3253 1 12 . 1 1 64 64 TYR CA C 64 57.720 57.720 60.032 -2.312 18327 3254 1 12 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.656 -1.096 18327 3255 1 12 . 1 1 64 64 TYR H H 64 7.124 7.124 7.395 -0.271 18327 3256 1 12 . 1 1 65 65 ILE N N 65 118.000 118.000 116.367 1.633 18327 3257 1 12 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.845 -0.015 18327 3258 1 12 . 1 1 65 65 ILE CA C 65 56.980 56.980 60.324 -3.344 18327 3259 1 12 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.495 0.135 18327 3260 1 12 . 1 1 65 65 ILE H H 65 7.671 7.671 7.455 0.216 18327 3261 1 12 . 1 1 66 66 HIS N N 66 124.500 124.500 126.313 -1.813 18327 3262 1 12 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.965 0.165 18327 3263 1 12 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.006 -0.946 18327 3264 1 12 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.634 -3.124 18327 3265 1 12 . 1 1 66 66 HIS H H 66 9.159 9.159 8.718 0.441 18327 3266 1 12 . 1 1 67 67 LEU N N 67 127.400 127.400 125.660 1.740 18327 3267 1 12 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.528 0.032 18327 3268 1 12 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.791 -0.491 18327 3269 1 12 . 1 1 67 67 LEU CB C 67 42.060 42.060 41.877 0.183 18327 3270 1 12 . 1 1 67 67 LEU H H 67 8.979 8.979 8.889 0.090 18327 3271 1 12 . 1 1 68 68 LYS N N 68 121.900 121.900 122.006 -0.106 18327 3272 1 12 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.494 -0.004 18327 3273 1 12 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.910 -0.800 18327 3274 1 12 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.441 1.169 18327 3275 1 12 . 1 1 68 68 LYS H H 68 8.499 8.499 8.819 -0.320 18327 3276 1 12 . 1 1 69 69 GLU N N 69 122.100 122.100 116.894 5.206 18327 3277 1 12 . 1 1 69 69 GLU HA H 69 4.290 4.290 3.924 0.366 18327 3278 1 12 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.716 -1.106 18327 3279 1 12 . 1 1 69 69 GLU CB C 69 30.330 30.330 30.074 0.256 18327 3280 1 12 . 1 1 69 69 GLU H H 69 8.569 8.569 8.266 0.303 18327 3281 1 12 . 1 1 70 70 ALA N N 70 123.300 123.300 122.164 1.136 18327 3282 1 12 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.419 -0.209 18327 3283 1 12 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.134 -0.324 18327 3284 1 12 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.351 0.350 18327 3285 1 12 . 1 1 70 70 ALA H H 70 8.181 8.181 8.122 0.059 18327 3286 1 12 . 1 1 71 71 ILE N N 71 120.000 120.000 119.698 0.302 18327 3287 1 12 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.124 -0.054 18327 3288 1 12 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.391 -1.061 18327 3289 1 12 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.329 0.361 18327 3290 1 12 . 1 1 71 71 ILE H H 71 7.789 7.789 8.122 -0.333 18327 3291 1 12 . 1 1 72 72 VAL N N 72 124.400 124.400 119.981 4.419 18327 3292 1 12 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.284 -0.214 18327 3293 1 12 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.018 -0.378 18327 3294 1 12 . 1 1 72 72 VAL CB C 72 32.690 32.690 31.973 0.717 18327 3295 1 12 . 1 1 72 72 VAL H H 72 8.089 8.089 8.095 -0.006 18327 3296 1 12 . 1 1 73 73 GLU N N 73 125.940 125.940 122.416 3.524 18327 3297 1 12 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.181 0.119 18327 3298 1 12 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.828 -0.218 18327 3299 1 12 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.141 0.569 18327 3300 1 12 . 1 1 73 73 GLU H H 73 8.464 8.464 8.373 0.091 18327 3301 1 13 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.688 0.872 18327 3302 1 13 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.978 -0.118 18327 3303 1 13 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.178 1.262 18327 3304 1 13 . 1 1 14 14 GLY N N 14 105.400 105.400 107.137 -1.737 18327 3305 1 13 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.624 1.616 18327 3306 1 13 . 1 1 14 14 GLY H H 14 8.406 8.406 8.626 -0.220 18327 3307 1 13 . 1 1 15 15 VAL N N 15 118.900 118.900 122.536 -3.636 18327 3308 1 13 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.923 0.407 18327 3309 1 13 . 1 1 15 15 VAL CA C 15 59.210 59.210 59.900 -0.690 18327 3310 1 13 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.164 0.576 18327 3311 1 13 . 1 1 15 15 VAL H H 15 8.854 8.854 8.384 0.470 18327 3312 1 13 . 1 1 16 16 ALA N N 16 129.400 129.400 129.184 0.216 18327 3313 1 13 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.892 0.108 18327 3314 1 13 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.583 0.417 18327 3315 1 13 . 1 1 16 16 ALA CB C 16 19.330 19.330 19.846 -0.516 18327 3316 1 13 . 1 1 16 16 ALA H H 16 9.112 9.112 9.162 -0.049 18327 3317 1 13 . 1 1 17 17 PHE N N 17 123.900 123.900 125.977 -2.077 18327 3318 1 13 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.776 -0.036 18327 3319 1 13 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.429 -1.199 18327 3320 1 13 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.136 -0.136 18327 3321 1 13 . 1 1 17 17 PHE H H 17 8.785 8.785 9.255 -0.470 18327 3322 1 13 . 1 1 18 18 TYR N N 18 118.100 118.100 118.200 -0.100 18327 3323 1 13 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.433 0.057 18327 3324 1 13 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.259 -1.959 18327 3325 1 13 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.233 1.577 18327 3326 1 13 . 1 1 18 18 TYR H H 18 7.288 7.288 7.529 -0.241 18327 3327 1 13 . 1 1 19 19 ASN N N 19 116.800 116.800 121.717 -4.917 18327 3328 1 13 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.994 -0.284 18327 3329 1 13 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.600 -0.660 18327 3330 1 13 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.627 -0.566 18327 3331 1 13 . 1 1 19 19 ASN H H 19 8.122 8.122 8.383 -0.261 18327 3332 1 13 . 1 1 20 20 TYR N N 20 122.000 122.000 122.820 -0.820 18327 3333 1 13 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.777 -0.067 18327 3334 1 13 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.066 -0.346 18327 3335 1 13 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.652 -0.402 18327 3336 1 13 . 1 1 20 20 TYR H H 20 8.994 8.994 8.941 0.053 18327 3337 1 13 . 1 1 21 21 ASP N N 21 128.500 128.500 121.944 6.556 18327 3338 1 13 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.779 0.011 18327 3339 1 13 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.536 0.834 18327 3340 1 13 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.707 -2.577 18327 3341 1 13 . 1 1 21 21 ASP H H 21 7.839 7.839 7.585 0.254 18327 3342 1 13 . 1 1 22 22 ALA N N 22 125.200 125.200 123.633 1.567 18327 3343 1 13 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.205 -0.155 18327 3344 1 13 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.262 -0.322 18327 3345 1 13 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.445 1.004 18327 3346 1 13 . 1 1 22 22 ALA H H 22 8.107 8.107 8.211 -0.104 18327 3347 1 13 . 1 1 23 23 ARG N N 23 122.200 122.200 122.708 -0.508 18327 3348 1 13 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.165 0.185 18327 3349 1 13 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.309 -1.819 18327 3350 1 13 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.602 0.097 18327 3351 1 13 . 1 1 23 23 ARG H H 23 8.889 8.889 8.428 0.461 18327 3352 1 13 . 1 1 24 24 GLY N N 24 105.200 105.200 106.302 -1.102 18327 3353 1 13 . 1 1 24 24 GLY CA C 24 44.500 44.500 43.975 0.525 18327 3354 1 13 . 1 1 24 24 GLY H H 24 7.267 7.267 7.655 -0.388 18327 3355 1 13 . 1 1 25 25 ALA N N 25 122.200 122.200 121.305 0.895 18327 3356 1 13 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.224 -0.064 18327 3357 1 13 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.862 0.578 18327 3358 1 13 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.094 -0.324 18327 3359 1 13 . 1 1 25 25 ALA H H 25 8.621 8.621 8.301 0.320 18327 3360 1 13 . 1 1 26 26 ASP N N 26 114.700 114.700 119.510 -4.810 18327 3361 1 13 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.671 0.029 18327 3362 1 13 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.748 0.122 18327 3363 1 13 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.597 -0.207 18327 3364 1 13 . 1 1 26 26 ASP H H 26 8.949 8.949 8.460 0.489 18327 3365 1 13 . 1 1 27 27 GLU N N 27 118.800 118.800 118.921 -0.121 18327 3366 1 13 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.598 0.622 18327 3367 1 13 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.659 0.271 18327 3368 1 13 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.511 0.369 18327 3369 1 13 . 1 1 27 27 GLU H H 27 7.542 7.542 7.564 -0.022 18327 3370 1 13 . 1 1 28 28 LEU N N 28 121.400 121.400 120.305 1.095 18327 3371 1 13 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.707 0.053 18327 3372 1 13 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.330 -1.210 18327 3373 1 13 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.384 -0.884 18327 3374 1 13 . 1 1 28 28 LEU H H 28 8.897 8.897 8.169 0.728 18327 3375 1 13 . 1 1 29 29 SER N N 29 115.700 115.700 119.058 -3.358 18327 3376 1 13 . 1 1 29 29 SER HA H 29 5.030 5.030 4.783 0.247 18327 3377 1 13 . 1 1 29 29 SER CA C 29 58.470 58.470 58.604 -0.134 18327 3378 1 13 . 1 1 29 29 SER CB C 29 63.690 63.690 63.862 -0.172 18327 3379 1 13 . 1 1 29 29 SER H H 29 7.949 7.949 8.471 -0.522 18327 3380 1 13 . 1 1 30 30 LEU N N 30 121.300 121.300 121.428 -0.128 18327 3381 1 13 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.704 0.096 18327 3382 1 13 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.643 -2.703 18327 3383 1 13 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.027 0.343 18327 3384 1 13 . 1 1 30 30 LEU H H 30 9.503 9.503 8.773 0.730 18327 3385 1 13 . 1 1 31 31 GLN N N 31 123.100 123.100 120.936 2.164 18327 3386 1 13 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.709 0.361 18327 3387 1 13 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.019 -1.079 18327 3388 1 13 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.892 -1.702 18327 3389 1 13 . 1 1 31 31 GLN H H 31 9.152 9.152 8.414 0.738 18327 3390 1 13 . 1 1 32 32 ILE N N 32 120.800 120.800 120.879 -0.079 18327 3391 1 13 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.919 -0.889 18327 3392 1 13 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.261 1.990 18327 3393 1 13 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.542 0.398 18327 3394 1 13 . 1 1 32 32 ILE H H 32 8.019 8.019 8.169 -0.150 18327 3395 1 13 . 1 1 33 33 GLY N N 33 115.700 115.700 114.135 1.565 18327 3396 1 13 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.801 -0.301 18327 3397 1 13 . 1 1 33 33 GLY H H 33 8.777 8.777 8.867 -0.090 18327 3398 1 13 . 1 1 34 34 ASP N N 34 122.300 122.300 121.715 0.585 18327 3399 1 13 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.920 -0.280 18327 3400 1 13 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.582 2.278 18327 3401 1 13 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.665 -1.355 18327 3402 1 13 . 1 1 34 34 ASP H H 34 8.690 8.690 7.717 0.973 18327 3403 1 13 . 1 1 35 35 THR N N 35 117.900 117.900 114.531 3.369 18327 3404 1 13 . 1 1 35 35 THR HA H 35 5.160 5.160 5.350 -0.190 18327 3405 1 13 . 1 1 35 35 THR CA C 35 61.450 61.450 61.073 0.377 18327 3406 1 13 . 1 1 35 35 THR CB C 35 69.090 69.090 71.215 -2.125 18327 3407 1 13 . 1 1 35 35 THR H H 35 8.389 8.389 8.257 0.132 18327 3408 1 13 . 1 1 36 36 VAL N N 36 118.200 118.200 118.026 0.174 18327 3409 1 13 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.368 0.732 18327 3410 1 13 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.670 -2.760 18327 3411 1 13 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.136 -0.946 18327 3412 1 13 . 1 1 36 36 VAL H H 36 9.019 9.019 9.024 -0.005 18327 3413 1 13 . 1 1 37 37 HIS N N 37 122.100 122.100 119.043 3.057 18327 3414 1 13 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.921 -0.081 18327 3415 1 13 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.703 -1.143 18327 3416 1 13 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.549 -2.289 18327 3417 1 13 . 1 1 37 37 HIS H H 37 8.489 8.489 8.686 -0.197 18327 3418 1 13 . 1 1 38 38 ILE N N 38 126.400 126.400 125.279 1.121 18327 3419 1 13 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.510 -0.730 18327 3420 1 13 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.519 1.121 18327 3421 1 13 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.777 0.103 18327 3422 1 13 . 1 1 38 38 ILE H H 38 8.636 8.636 8.746 -0.110 18327 3423 1 13 . 1 1 39 39 LEU N N 39 126.000 126.000 124.411 1.589 18327 3424 1 13 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.695 -0.295 18327 3425 1 13 . 1 1 39 39 LEU CA C 39 55.490 55.490 54.567 0.923 18327 3426 1 13 . 1 1 39 39 LEU CB C 39 43.750 43.750 42.702 1.048 18327 3427 1 13 . 1 1 39 39 LEU H H 39 9.162 9.162 8.725 0.437 18327 3428 1 13 . 1 1 40 40 GLU N N 40 115.100 115.100 117.678 -2.578 18327 3429 1 13 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.628 3.267 18327 3430 1 13 . 1 1 41 41 THR N N 41 116.400 116.400 110.826 5.574 18327 3431 1 13 . 1 1 41 41 THR HA H 41 4.270 4.270 4.810 -0.540 18327 3432 1 13 . 1 1 41 41 THR CA C 41 60.890 60.890 60.346 0.544 18327 3433 1 13 . 1 1 41 41 THR CB C 41 69.650 69.650 71.564 -1.914 18327 3434 1 13 . 1 1 41 41 THR H H 41 8.162 8.162 8.327 -0.165 18327 3435 1 13 . 1 1 43 43 GLU N N 43 123.300 123.300 121.177 2.123 18327 3436 1 13 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.421 -0.151 18327 3437 1 13 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.826 1.524 18327 3438 1 13 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.913 -3.123 18327 3439 1 13 . 1 1 43 43 GLU H H 43 8.108 8.108 8.465 -0.357 18327 3440 1 13 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.289 0.151 18327 3441 1 13 . 1 1 45 45 TRP N N 45 124.100 124.100 119.493 4.607 18327 3442 1 13 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.622 0.068 18327 3443 1 13 . 1 1 45 45 TRP H H 45 8.590 8.590 7.363 1.227 18327 3444 1 13 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.646 0.954 18327 3445 1 13 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.129 -3.069 18327 3446 1 13 . 1 1 46 46 TYR CB C 46 42.060 42.060 41.388 0.672 18327 3447 1 13 . 1 1 47 47 ARG N N 47 118.100 118.100 122.196 -4.096 18327 3448 1 13 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.932 0.138 18327 3449 1 13 . 1 1 47 47 ARG CA C 47 54.060 54.060 53.892 0.168 18327 3450 1 13 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.844 -1.594 18327 3451 1 13 . 1 1 47 47 ARG H H 47 8.495 8.495 9.026 -0.531 18327 3452 1 13 . 1 1 48 48 GLY N N 48 114.000 114.000 111.600 2.400 18327 3453 1 13 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.008 0.552 18327 3454 1 13 . 1 1 48 48 GLY H H 48 9.183 9.183 8.734 0.449 18327 3455 1 13 . 1 1 49 49 TYR N N 49 116.200 116.200 115.746 0.454 18327 3456 1 13 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.175 0.205 18327 3457 1 13 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.778 -1.668 18327 3458 1 13 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.723 1.027 18327 3459 1 13 . 1 1 49 49 TYR H H 49 8.199 8.199 8.379 -0.180 18327 3460 1 13 . 1 1 50 50 THR N N 50 112.200 112.200 111.476 0.724 18327 3461 1 13 . 1 1 50 50 THR HA H 50 5.120 5.120 4.295 0.825 18327 3462 1 13 . 1 1 50 50 THR CA C 50 59.770 59.770 60.663 -0.893 18327 3463 1 13 . 1 1 50 50 THR CB C 50 69.460 69.460 69.652 -0.192 18327 3464 1 13 . 1 1 50 50 THR H H 50 9.436 9.436 8.379 1.057 18327 3465 1 13 . 1 1 51 51 LEU N N 51 121.300 121.300 120.202 1.098 18327 3466 1 13 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.414 -0.184 18327 3467 1 13 . 1 1 51 51 LEU CA C 51 56.790 56.790 53.854 2.936 18327 3468 1 13 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.607 -1.607 18327 3469 1 13 . 1 1 51 51 LEU H H 51 8.313 8.313 8.381 -0.068 18327 3470 1 13 . 1 1 52 52 ARG N N 52 116.600 116.600 118.744 -2.144 18327 3471 1 13 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.249 0.001 18327 3472 1 13 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.308 0.042 18327 3473 1 13 . 1 1 52 52 ARG CB C 52 30.510 30.510 31.425 -0.915 18327 3474 1 13 . 1 1 52 52 ARG H H 52 8.053 8.053 8.402 -0.349 18327 3475 1 13 . 1 1 53 53 LYS N N 53 122.600 122.600 117.044 5.556 18327 3476 1 13 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.469 0.151 18327 3477 1 13 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.178 -0.559 18327 3478 1 13 . 1 1 53 53 LYS CB C 53 32.310 32.310 34.770 -2.460 18327 3479 1 13 . 1 1 53 53 LYS H H 53 7.655 7.655 7.625 0.030 18327 3480 1 13 . 1 1 54 54 LYS N N 54 124.900 124.900 124.215 0.685 18327 3481 1 13 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.092 -0.002 18327 3482 1 13 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.745 -0.275 18327 3483 1 13 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.304 -0.174 18327 3484 1 13 . 1 1 54 54 LYS H H 54 8.499 8.499 8.696 -0.197 18327 3485 1 13 . 1 1 55 55 SER N N 55 110.100 110.100 112.435 -2.335 18327 3486 1 13 . 1 1 55 55 SER HA H 55 4.140 4.140 4.264 -0.124 18327 3487 1 13 . 1 1 55 55 SER CA C 55 58.470 58.470 60.036 -1.566 18327 3488 1 13 . 1 1 55 55 SER CB C 55 63.310 63.310 63.015 0.295 18327 3489 1 13 . 1 1 55 55 SER H H 55 7.862 7.862 8.056 -0.194 18327 3490 1 13 . 1 1 56 56 LYS N N 56 124.000 124.000 123.314 0.686 18327 3491 1 13 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.357 0.343 18327 3492 1 13 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.272 -0.461 18327 3493 1 13 . 1 1 56 56 LYS CB C 56 33.250 33.250 31.389 1.861 18327 3494 1 13 . 1 1 56 56 LYS H H 56 7.481 7.481 7.398 0.083 18327 3495 1 13 . 1 1 57 57 LYS N N 57 125.700 125.700 122.839 2.861 18327 3496 1 13 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.889 0.441 18327 3497 1 13 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.154 -0.534 18327 3498 1 13 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.291 -1.051 18327 3499 1 13 . 1 1 57 57 LYS H H 57 8.475 8.475 7.645 0.830 18327 3500 1 13 . 1 1 58 58 GLY N N 58 109.400 109.400 109.328 0.072 18327 3501 1 13 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.650 -0.030 18327 3502 1 13 . 1 1 58 58 GLY H H 58 9.073 9.073 8.597 0.476 18327 3503 1 13 . 1 1 59 59 ILE N N 59 113.900 113.900 119.847 -5.947 18327 3504 1 13 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.049 0.951 18327 3505 1 13 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.857 -0.267 18327 3506 1 13 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.680 -1.540 18327 3507 1 13 . 1 1 59 59 ILE H H 59 8.628 8.628 7.942 0.686 18327 3508 1 13 . 1 1 60 60 PHE N N 60 116.900 116.900 116.917 -0.017 18327 3509 1 13 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.285 -0.165 18327 3510 1 13 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.385 -1.325 18327 3511 1 13 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.139 -2.949 18327 3512 1 13 . 1 1 60 60 PHE H H 60 8.724 8.724 8.976 -0.252 18327 3513 1 13 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.095 -0.615 18327 3514 1 13 . 1 1 61 61 PRO CA C 61 62.200 62.200 61.846 0.354 18327 3515 1 13 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.017 -0.827 18327 3516 1 13 . 1 1 62 62 ALA N N 62 124.600 124.600 126.330 -1.730 18327 3517 1 13 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.254 -0.534 18327 3518 1 13 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.980 -0.610 18327 3519 1 13 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.353 -0.703 18327 3520 1 13 . 1 1 62 62 ALA H H 62 7.898 7.898 8.062 -0.164 18327 3521 1 13 . 1 1 63 63 SER N N 63 109.700 109.700 113.492 -3.792 18327 3522 1 13 . 1 1 63 63 SER HA H 63 4.200 4.200 4.129 0.071 18327 3523 1 13 . 1 1 63 63 SER CA C 63 59.400 59.400 60.427 -1.027 18327 3524 1 13 . 1 1 63 63 SER CB C 63 62.380 62.380 62.926 -0.546 18327 3525 1 13 . 1 1 63 63 SER H H 63 8.030 8.030 7.975 0.055 18327 3526 1 13 . 1 1 64 64 TYR N N 64 120.300 120.300 117.556 2.744 18327 3527 1 13 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.403 -0.143 18327 3528 1 13 . 1 1 64 64 TYR CA C 64 57.720 57.720 59.140 -1.420 18327 3529 1 13 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.559 -1.000 18327 3530 1 13 . 1 1 64 64 TYR H H 64 7.124 7.124 8.095 -0.971 18327 3531 1 13 . 1 1 65 65 ILE N N 65 118.000 118.000 115.878 2.122 18327 3532 1 13 . 1 1 65 65 ILE HA H 65 4.830 4.830 5.028 -0.198 18327 3533 1 13 . 1 1 65 65 ILE CA C 65 56.980 56.980 58.451 -1.471 18327 3534 1 13 . 1 1 65 65 ILE CB C 65 39.630 39.630 40.798 -1.168 18327 3535 1 13 . 1 1 65 65 ILE H H 65 7.671 7.671 7.603 0.068 18327 3536 1 13 . 1 1 66 66 HIS N N 66 124.500 124.500 121.720 2.780 18327 3537 1 13 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.914 0.216 18327 3538 1 13 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.124 -1.064 18327 3539 1 13 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.740 -3.230 18327 3540 1 13 . 1 1 66 66 HIS H H 66 9.159 9.159 8.781 0.378 18327 3541 1 13 . 1 1 67 67 LEU N N 67 127.400 127.400 129.195 -1.795 18327 3542 1 13 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.797 -0.237 18327 3543 1 13 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.268 0.032 18327 3544 1 13 . 1 1 67 67 LEU CB C 67 42.060 42.060 43.348 -1.288 18327 3545 1 13 . 1 1 67 67 LEU H H 67 8.979 8.979 8.917 0.062 18327 3546 1 13 . 1 1 68 68 LYS N N 68 121.900 121.900 124.956 -3.056 18327 3547 1 13 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.390 0.100 18327 3548 1 13 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.389 -0.279 18327 3549 1 13 . 1 1 68 68 LYS CB C 68 34.610 34.610 32.612 1.998 18327 3550 1 13 . 1 1 68 68 LYS H H 68 8.499 8.499 8.752 -0.253 18327 3551 1 13 . 1 1 69 69 GLU N N 69 122.100 122.100 118.242 3.858 18327 3552 1 13 . 1 1 69 69 GLU HA H 69 4.290 4.290 3.952 0.338 18327 3553 1 13 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.902 -0.292 18327 3554 1 13 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.874 1.456 18327 3555 1 13 . 1 1 69 69 GLU H H 69 8.569 8.569 8.094 0.475 18327 3556 1 13 . 1 1 70 70 ALA N N 70 123.300 123.300 121.987 1.313 18327 3557 1 13 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.191 0.019 18327 3558 1 13 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.134 -0.324 18327 3559 1 13 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.287 0.413 18327 3560 1 13 . 1 1 70 70 ALA H H 70 8.181 8.181 8.246 -0.065 18327 3561 1 13 . 1 1 71 71 ILE N N 71 120.000 120.000 120.068 -0.068 18327 3562 1 13 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.208 -0.138 18327 3563 1 13 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.197 -0.867 18327 3564 1 13 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.382 -0.692 18327 3565 1 13 . 1 1 71 71 ILE H H 71 7.789 7.789 8.401 -0.612 18327 3566 1 13 . 1 1 72 72 VAL N N 72 124.400 124.400 120.512 3.888 18327 3567 1 13 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.432 -0.362 18327 3568 1 13 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.510 0.130 18327 3569 1 13 . 1 1 72 72 VAL CB C 72 32.690 32.690 33.398 -0.708 18327 3570 1 13 . 1 1 72 72 VAL H H 72 8.089 8.089 7.974 0.115 18327 3571 1 13 . 1 1 73 73 GLU N N 73 125.940 125.940 122.004 3.936 18327 3572 1 13 . 1 1 73 73 GLU HA H 73 4.300 4.300 5.105 -0.805 18327 3573 1 13 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.344 1.266 18327 3574 1 13 . 1 1 73 73 GLU CB C 73 30.710 30.710 32.724 -2.014 18327 3575 1 13 . 1 1 73 73 GLU H H 73 8.464 8.464 8.959 -0.495 18327 3576 1 14 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.975 0.585 18327 3577 1 14 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.456 0.404 18327 3578 1 14 . 1 1 13 13 TYR CB C 13 42.440 42.440 39.773 2.667 18327 3579 1 14 . 1 1 14 14 GLY N N 14 105.400 105.400 105.844 -0.444 18327 3580 1 14 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.622 1.618 18327 3581 1 14 . 1 1 14 14 GLY H H 14 8.406 8.406 8.415 -0.009 18327 3582 1 14 . 1 1 15 15 VAL N N 15 118.900 118.900 119.656 -0.756 18327 3583 1 14 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.728 0.602 18327 3584 1 14 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.110 -0.900 18327 3585 1 14 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.353 0.387 18327 3586 1 14 . 1 1 15 15 VAL H H 15 8.854 8.854 8.251 0.603 18327 3587 1 14 . 1 1 16 16 ALA N N 16 129.400 129.400 125.233 4.167 18327 3588 1 14 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.679 0.321 18327 3589 1 14 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.260 0.740 18327 3590 1 14 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.068 -0.738 18327 3591 1 14 . 1 1 16 16 ALA H H 16 9.112 9.112 9.030 0.082 18327 3592 1 14 . 1 1 17 17 PHE N N 17 123.900 123.900 124.790 -0.890 18327 3593 1 14 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.625 0.115 18327 3594 1 14 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.045 -0.815 18327 3595 1 14 . 1 1 17 17 PHE CB C 17 40.000 40.000 39.897 0.103 18327 3596 1 14 . 1 1 17 17 PHE H H 17 8.785 8.785 8.557 0.228 18327 3597 1 14 . 1 1 18 18 TYR N N 18 118.100 118.100 118.341 -0.241 18327 3598 1 14 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.430 0.060 18327 3599 1 14 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.464 -2.164 18327 3600 1 14 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.373 1.438 18327 3601 1 14 . 1 1 18 18 TYR H H 18 7.288 7.288 7.450 -0.162 18327 3602 1 14 . 1 1 19 19 ASN N N 19 116.800 116.800 121.466 -4.666 18327 3603 1 14 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.918 -0.208 18327 3604 1 14 . 1 1 19 19 ASN CA C 19 52.940 52.940 54.124 -1.184 18327 3605 1 14 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.549 -0.489 18327 3606 1 14 . 1 1 19 19 ASN H H 19 8.122 8.122 8.712 -0.590 18327 3607 1 14 . 1 1 20 20 TYR N N 20 122.000 122.000 123.305 -1.305 18327 3608 1 14 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.827 -0.117 18327 3609 1 14 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.126 -0.406 18327 3610 1 14 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.470 -0.220 18327 3611 1 14 . 1 1 20 20 TYR H H 20 8.994 8.994 8.752 0.242 18327 3612 1 14 . 1 1 21 21 ASP N N 21 128.500 128.500 124.476 4.024 18327 3613 1 14 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.838 -0.048 18327 3614 1 14 . 1 1 21 21 ASP CA C 21 52.370 52.370 53.498 -1.128 18327 3615 1 14 . 1 1 21 21 ASP CB C 21 41.130 41.130 42.537 -1.407 18327 3616 1 14 . 1 1 21 21 ASP H H 21 7.839 7.839 8.112 -0.273 18327 3617 1 14 . 1 1 22 22 ALA N N 22 125.200 125.200 122.829 2.371 18327 3618 1 14 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.601 -0.551 18327 3619 1 14 . 1 1 22 22 ALA CA C 22 52.940 52.940 51.889 1.051 18327 3620 1 14 . 1 1 22 22 ALA CB C 22 20.450 20.450 20.038 0.412 18327 3621 1 14 . 1 1 22 22 ALA H H 22 8.107 8.107 8.295 -0.188 18327 3622 1 14 . 1 1 23 23 ARG N N 23 122.200 122.200 121.751 0.449 18327 3623 1 14 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.052 0.298 18327 3624 1 14 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.628 -2.138 18327 3625 1 14 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.721 -0.021 18327 3626 1 14 . 1 1 23 23 ARG H H 23 8.889 8.889 8.674 0.215 18327 3627 1 14 . 1 1 24 24 GLY N N 24 105.200 105.200 104.772 0.428 18327 3628 1 14 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.697 -0.197 18327 3629 1 14 . 1 1 24 24 GLY H H 24 7.267 7.267 7.470 -0.203 18327 3630 1 14 . 1 1 25 25 ALA N N 25 122.200 122.200 121.832 0.368 18327 3631 1 14 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.235 -0.075 18327 3632 1 14 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.037 0.403 18327 3633 1 14 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.102 -0.333 18327 3634 1 14 . 1 1 25 25 ALA H H 25 8.621 8.621 8.207 0.414 18327 3635 1 14 . 1 1 26 26 ASP N N 26 114.700 114.700 117.751 -3.051 18327 3636 1 14 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.575 0.125 18327 3637 1 14 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.091 -1.221 18327 3638 1 14 . 1 1 26 26 ASP CB C 26 40.390 40.390 41.001 -0.611 18327 3639 1 14 . 1 1 26 26 ASP H H 26 8.949 8.949 8.462 0.487 18327 3640 1 14 . 1 1 27 27 GLU N N 27 118.800 118.800 116.400 2.400 18327 3641 1 14 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.713 0.507 18327 3642 1 14 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.765 -0.835 18327 3643 1 14 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.491 1.389 18327 3644 1 14 . 1 1 27 27 GLU H H 27 7.542 7.542 7.378 0.164 18327 3645 1 14 . 1 1 28 28 LEU N N 28 121.400 121.400 120.575 0.825 18327 3646 1 14 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.723 0.037 18327 3647 1 14 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.286 -1.166 18327 3648 1 14 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.111 -0.611 18327 3649 1 14 . 1 1 28 28 LEU H H 28 8.897 8.897 8.007 0.890 18327 3650 1 14 . 1 1 29 29 SER N N 29 115.700 115.700 120.344 -4.644 18327 3651 1 14 . 1 1 29 29 SER HA H 29 5.030 5.030 4.583 0.447 18327 3652 1 14 . 1 1 29 29 SER CA C 29 58.470 58.470 59.675 -1.204 18327 3653 1 14 . 1 1 29 29 SER CB C 29 63.690 63.690 64.314 -0.624 18327 3654 1 14 . 1 1 29 29 SER H H 29 7.949 7.949 8.502 -0.553 18327 3655 1 14 . 1 1 30 30 LEU N N 30 121.300 121.300 122.137 -0.837 18327 3656 1 14 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.780 0.020 18327 3657 1 14 . 1 1 30 30 LEU CA C 30 52.940 52.940 54.946 -2.006 18327 3658 1 14 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.238 0.132 18327 3659 1 14 . 1 1 30 30 LEU H H 30 9.503 9.503 8.668 0.835 18327 3660 1 14 . 1 1 31 31 GLN N N 31 123.100 123.100 121.753 1.347 18327 3661 1 14 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.645 0.425 18327 3662 1 14 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.714 -0.774 18327 3663 1 14 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.594 -1.404 18327 3664 1 14 . 1 1 31 31 GLN H H 31 9.152 9.152 8.444 0.708 18327 3665 1 14 . 1 1 32 32 ILE N N 32 120.800 120.800 121.692 -0.892 18327 3666 1 14 . 1 1 32 32 ILE HA H 32 3.030 3.030 4.002 -0.972 18327 3667 1 14 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.254 1.996 18327 3668 1 14 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.491 0.449 18327 3669 1 14 . 1 1 32 32 ILE H H 32 8.019 8.019 8.488 -0.469 18327 3670 1 14 . 1 1 33 33 GLY N N 33 115.700 115.700 114.630 1.070 18327 3671 1 14 . 1 1 33 33 GLY CA C 33 44.500 44.500 45.117 -0.618 18327 3672 1 14 . 1 1 33 33 GLY H H 33 8.777 8.777 9.056 -0.279 18327 3673 1 14 . 1 1 34 34 ASP N N 34 122.300 122.300 122.324 -0.024 18327 3674 1 14 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.904 -0.264 18327 3675 1 14 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.739 2.121 18327 3676 1 14 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.053 -0.743 18327 3677 1 14 . 1 1 34 34 ASP H H 34 8.690 8.690 7.556 1.134 18327 3678 1 14 . 1 1 35 35 THR N N 35 117.900 117.900 116.922 0.978 18327 3679 1 14 . 1 1 35 35 THR HA H 35 5.160 5.160 4.849 0.311 18327 3680 1 14 . 1 1 35 35 THR CA C 35 61.450 61.450 62.395 -0.945 18327 3681 1 14 . 1 1 35 35 THR CB C 35 69.090 69.090 69.969 -0.879 18327 3682 1 14 . 1 1 35 35 THR H H 35 8.389 8.389 8.401 -0.012 18327 3683 1 14 . 1 1 36 36 VAL N N 36 118.200 118.200 116.655 1.545 18327 3684 1 14 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.347 0.753 18327 3685 1 14 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.489 -2.579 18327 3686 1 14 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.319 -1.129 18327 3687 1 14 . 1 1 36 36 VAL H H 36 9.019 9.019 9.064 -0.045 18327 3688 1 14 . 1 1 37 37 HIS N N 37 122.100 122.100 120.347 1.753 18327 3689 1 14 . 1 1 37 37 HIS HA H 37 4.840 4.840 5.025 -0.185 18327 3690 1 14 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.133 -1.573 18327 3691 1 14 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.344 -2.084 18327 3692 1 14 . 1 1 37 37 HIS H H 37 8.489 8.489 8.088 0.401 18327 3693 1 14 . 1 1 38 38 ILE N N 38 126.400 126.400 124.679 1.721 18327 3694 1 14 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.320 -0.540 18327 3695 1 14 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.909 0.731 18327 3696 1 14 . 1 1 38 38 ILE CB C 38 38.880 38.880 39.693 -0.813 18327 3697 1 14 . 1 1 38 38 ILE H H 38 8.636 8.636 8.497 0.139 18327 3698 1 14 . 1 1 39 39 LEU N N 39 126.000 126.000 123.506 2.494 18327 3699 1 14 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.779 -0.379 18327 3700 1 14 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.147 0.343 18327 3701 1 14 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.671 -0.921 18327 3702 1 14 . 1 1 39 39 LEU H H 39 9.162 9.162 9.023 0.139 18327 3703 1 14 . 1 1 40 40 GLU N N 40 115.100 115.100 117.980 -2.880 18327 3704 1 14 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.774 3.121 18327 3705 1 14 . 1 1 41 41 THR N N 41 116.400 116.400 111.442 4.958 18327 3706 1 14 . 1 1 41 41 THR HA H 41 4.270 4.270 4.653 -0.383 18327 3707 1 14 . 1 1 41 41 THR CA C 41 60.890 60.890 60.865 0.025 18327 3708 1 14 . 1 1 41 41 THR CB C 41 69.650 69.650 70.814 -1.163 18327 3709 1 14 . 1 1 41 41 THR H H 41 8.162 8.162 8.271 -0.109 18327 3710 1 14 . 1 1 43 43 GLU N N 43 123.300 123.300 121.168 2.132 18327 3711 1 14 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.511 -0.241 18327 3712 1 14 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.098 2.252 18327 3713 1 14 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.817 -3.027 18327 3714 1 14 . 1 1 43 43 GLU H H 43 8.108 8.108 8.365 -0.257 18327 3715 1 14 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.273 0.167 18327 3716 1 14 . 1 1 45 45 TRP N N 45 124.100 124.100 119.274 4.826 18327 3717 1 14 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.645 0.045 18327 3718 1 14 . 1 1 45 45 TRP H H 45 8.590 8.590 7.275 1.315 18327 3719 1 14 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.678 0.922 18327 3720 1 14 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.278 -3.218 18327 3721 1 14 . 1 1 46 46 TYR CB C 46 42.060 42.060 41.877 0.183 18327 3722 1 14 . 1 1 47 47 ARG N N 47 118.100 118.100 122.872 -4.772 18327 3723 1 14 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.669 0.401 18327 3724 1 14 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.190 -0.130 18327 3725 1 14 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.489 -1.239 18327 3726 1 14 . 1 1 47 47 ARG H H 47 8.495 8.495 9.086 -0.591 18327 3727 1 14 . 1 1 48 48 GLY N N 48 114.000 114.000 112.809 1.191 18327 3728 1 14 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.500 0.060 18327 3729 1 14 . 1 1 48 48 GLY H H 48 9.183 9.183 8.912 0.271 18327 3730 1 14 . 1 1 49 49 TYR N N 49 116.200 116.200 116.919 -0.719 18327 3731 1 14 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.020 0.360 18327 3732 1 14 . 1 1 49 49 TYR CA C 49 55.110 55.110 57.140 -2.030 18327 3733 1 14 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.633 1.117 18327 3734 1 14 . 1 1 49 49 TYR H H 49 8.199 8.199 8.488 -0.289 18327 3735 1 14 . 1 1 50 50 THR N N 50 112.200 112.200 113.655 -1.455 18327 3736 1 14 . 1 1 50 50 THR HA H 50 5.120 5.120 4.194 0.926 18327 3737 1 14 . 1 1 50 50 THR CA C 50 59.770 59.770 60.972 -1.202 18327 3738 1 14 . 1 1 50 50 THR CB C 50 69.460 69.460 69.916 -0.456 18327 3739 1 14 . 1 1 50 50 THR H H 50 9.436 9.436 8.814 0.622 18327 3740 1 14 . 1 1 51 51 LEU N N 51 121.300 121.300 119.494 1.806 18327 3741 1 14 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.343 -0.113 18327 3742 1 14 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.124 1.666 18327 3743 1 14 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.152 -1.152 18327 3744 1 14 . 1 1 51 51 LEU H H 51 8.313 8.313 7.771 0.542 18327 3745 1 14 . 1 1 52 52 ARG N N 52 116.600 116.600 118.448 -1.848 18327 3746 1 14 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.069 0.181 18327 3747 1 14 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.839 -0.489 18327 3748 1 14 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.363 0.147 18327 3749 1 14 . 1 1 52 52 ARG H H 52 8.053 8.053 8.192 -0.139 18327 3750 1 14 . 1 1 53 53 LYS N N 53 122.600 122.600 117.254 5.346 18327 3751 1 14 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.507 0.113 18327 3752 1 14 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.811 -1.191 18327 3753 1 14 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.285 -0.975 18327 3754 1 14 . 1 1 53 53 LYS H H 53 7.655 7.655 7.479 0.176 18327 3755 1 14 . 1 1 54 54 LYS N N 54 124.900 124.900 124.386 0.514 18327 3756 1 14 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.456 -0.366 18327 3757 1 14 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.246 0.224 18327 3758 1 14 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.661 -0.531 18327 3759 1 14 . 1 1 54 54 LYS H H 54 8.499 8.499 8.733 -0.234 18327 3760 1 14 . 1 1 55 55 SER N N 55 110.100 110.100 113.828 -3.728 18327 3761 1 14 . 1 1 55 55 SER HA H 55 4.140 4.140 4.250 -0.110 18327 3762 1 14 . 1 1 55 55 SER CA C 55 58.470 58.470 60.053 -1.583 18327 3763 1 14 . 1 1 55 55 SER CB C 55 63.310 63.310 63.418 -0.108 18327 3764 1 14 . 1 1 55 55 SER H H 55 7.862 7.862 8.016 -0.154 18327 3765 1 14 . 1 1 56 56 LYS N N 56 124.000 124.000 121.683 2.317 18327 3766 1 14 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.469 0.231 18327 3767 1 14 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.393 -0.583 18327 3768 1 14 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.889 0.361 18327 3769 1 14 . 1 1 56 56 LYS H H 56 7.481 7.481 7.938 -0.457 18327 3770 1 14 . 1 1 57 57 LYS N N 57 125.700 125.700 122.518 3.182 18327 3771 1 14 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.596 0.734 18327 3772 1 14 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.091 -0.471 18327 3773 1 14 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.252 -1.012 18327 3774 1 14 . 1 1 57 57 LYS H H 57 8.475 8.475 8.179 0.296 18327 3775 1 14 . 1 1 58 58 GLY N N 58 109.400 109.400 107.137 2.263 18327 3776 1 14 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.286 0.334 18327 3777 1 14 . 1 1 58 58 GLY H H 58 9.073 9.073 8.679 0.394 18327 3778 1 14 . 1 1 59 59 ILE N N 59 113.900 113.900 119.313 -5.413 18327 3779 1 14 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.999 1.001 18327 3780 1 14 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.143 0.447 18327 3781 1 14 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.643 -1.503 18327 3782 1 14 . 1 1 59 59 ILE H H 59 8.628 8.628 8.283 0.345 18327 3783 1 14 . 1 1 60 60 PHE N N 60 116.900 116.900 117.759 -0.859 18327 3784 1 14 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.158 -0.038 18327 3785 1 14 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.101 -1.041 18327 3786 1 14 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.258 -3.068 18327 3787 1 14 . 1 1 60 60 PHE H H 60 8.724 8.724 8.814 -0.090 18327 3788 1 14 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.028 -0.548 18327 3789 1 14 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.003 0.197 18327 3790 1 14 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.228 -1.038 18327 3791 1 14 . 1 1 62 62 ALA N N 62 124.600 124.600 127.179 -2.579 18327 3792 1 14 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.392 -0.672 18327 3793 1 14 . 1 1 62 62 ALA CA C 62 54.370 54.370 55.081 -0.711 18327 3794 1 14 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.124 -0.474 18327 3795 1 14 . 1 1 62 62 ALA H H 62 7.898 7.898 8.247 -0.349 18327 3796 1 14 . 1 1 63 63 SER N N 63 109.700 109.700 111.814 -2.114 18327 3797 1 14 . 1 1 63 63 SER HA H 63 4.200 4.200 4.184 0.016 18327 3798 1 14 . 1 1 63 63 SER CA C 63 59.400 59.400 60.705 -1.305 18327 3799 1 14 . 1 1 63 63 SER CB C 63 62.380 62.380 62.667 -0.287 18327 3800 1 14 . 1 1 63 63 SER H H 63 8.030 8.030 7.871 0.159 18327 3801 1 14 . 1 1 64 64 TYR N N 64 120.300 120.300 118.495 1.805 18327 3802 1 14 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.656 -0.396 18327 3803 1 14 . 1 1 64 64 TYR CA C 64 57.720 57.720 57.629 0.091 18327 3804 1 14 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.773 -1.213 18327 3805 1 14 . 1 1 64 64 TYR H H 64 7.124 7.124 7.221 -0.097 18327 3806 1 14 . 1 1 65 65 ILE N N 65 118.000 118.000 117.134 0.866 18327 3807 1 14 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.958 -0.128 18327 3808 1 14 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.702 -2.722 18327 3809 1 14 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.010 0.620 18327 3810 1 14 . 1 1 65 65 ILE H H 65 7.671 7.671 7.438 0.233 18327 3811 1 14 . 1 1 66 66 HIS N N 66 124.500 124.500 123.695 0.805 18327 3812 1 14 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.843 0.287 18327 3813 1 14 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.881 -1.821 18327 3814 1 14 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.762 -2.252 18327 3815 1 14 . 1 1 66 66 HIS H H 66 9.159 9.159 8.582 0.577 18327 3816 1 14 . 1 1 67 67 LEU N N 67 127.400 127.400 128.389 -0.989 18327 3817 1 14 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.666 -0.106 18327 3818 1 14 . 1 1 67 67 LEU CA C 67 55.300 55.300 54.968 0.332 18327 3819 1 14 . 1 1 67 67 LEU CB C 67 42.060 42.060 43.335 -1.275 18327 3820 1 14 . 1 1 67 67 LEU H H 67 8.979 8.979 8.813 0.166 18327 3821 1 14 . 1 1 68 68 LYS N N 68 121.900 121.900 124.391 -2.491 18327 3822 1 14 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.462 0.028 18327 3823 1 14 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.508 -0.398 18327 3824 1 14 . 1 1 68 68 LYS CB C 68 34.610 34.610 32.749 1.861 18327 3825 1 14 . 1 1 68 68 LYS H H 68 8.499 8.499 8.551 -0.052 18327 3826 1 14 . 1 1 69 69 GLU N N 69 122.100 122.100 117.956 4.144 18327 3827 1 14 . 1 1 69 69 GLU HA H 69 4.290 4.290 3.756 0.534 18327 3828 1 14 . 1 1 69 69 GLU CA C 69 56.610 56.610 58.015 -1.405 18327 3829 1 14 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.852 0.478 18327 3830 1 14 . 1 1 69 69 GLU H H 69 8.569 8.569 8.167 0.402 18327 3831 1 14 . 1 1 70 70 ALA N N 70 123.300 123.300 122.276 1.024 18327 3832 1 14 . 1 1 70 70 ALA HA H 70 4.210 4.210 3.377 0.833 18327 3833 1 14 . 1 1 70 70 ALA CA C 70 51.810 51.810 51.012 0.798 18327 3834 1 14 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.026 0.674 18327 3835 1 14 . 1 1 70 70 ALA H H 70 8.181 8.181 8.050 0.131 18327 3836 1 14 . 1 1 71 71 ILE N N 71 120.000 120.000 122.380 -2.380 18327 3837 1 14 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.083 -0.013 18327 3838 1 14 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.121 -0.791 18327 3839 1 14 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.299 0.391 18327 3840 1 14 . 1 1 71 71 ILE H H 71 7.789 7.789 8.274 -0.485 18327 3841 1 14 . 1 1 72 72 VAL N N 72 124.400 124.400 121.628 2.772 18327 3842 1 14 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.275 -0.205 18327 3843 1 14 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.811 -0.171 18327 3844 1 14 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.818 -0.128 18327 3845 1 14 . 1 1 72 72 VAL H H 72 8.089 8.089 8.060 0.029 18327 3846 1 14 . 1 1 73 73 GLU N N 73 125.940 125.940 122.999 2.941 18327 3847 1 14 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.255 0.045 18327 3848 1 14 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.959 -0.349 18327 3849 1 14 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.938 0.772 18327 3850 1 14 . 1 1 73 73 GLU H H 73 8.464 8.464 8.634 -0.170 18327 3851 1 15 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.484 1.076 18327 3852 1 15 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.725 -0.865 18327 3853 1 15 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.635 0.805 18327 3854 1 15 . 1 1 14 14 GLY N N 14 105.400 105.400 107.728 -2.328 18327 3855 1 15 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.639 1.601 18327 3856 1 15 . 1 1 14 14 GLY H H 14 8.406 8.406 8.539 -0.133 18327 3857 1 15 . 1 1 15 15 VAL N N 15 118.900 118.900 123.921 -5.021 18327 3858 1 15 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.837 0.493 18327 3859 1 15 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.859 -1.649 18327 3860 1 15 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.733 0.007 18327 3861 1 15 . 1 1 15 15 VAL H H 15 8.854 8.854 8.579 0.275 18327 3862 1 15 . 1 1 16 16 ALA N N 16 129.400 129.400 128.218 1.182 18327 3863 1 15 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.601 0.399 18327 3864 1 15 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.023 0.977 18327 3865 1 15 . 1 1 16 16 ALA CB C 16 19.330 19.330 19.739 -0.409 18327 3866 1 15 . 1 1 16 16 ALA H H 16 9.112 9.112 9.075 0.037 18327 3867 1 15 . 1 1 17 17 PHE N N 17 123.900 123.900 119.999 3.901 18327 3868 1 15 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.930 -0.190 18327 3869 1 15 . 1 1 17 17 PHE CA C 17 56.230 56.230 55.541 0.689 18327 3870 1 15 . 1 1 17 17 PHE CB C 17 40.000 40.000 39.036 0.964 18327 3871 1 15 . 1 1 17 17 PHE H H 17 8.785 8.785 7.997 0.788 18327 3872 1 15 . 1 1 18 18 TYR N N 18 118.100 118.100 119.664 -1.564 18327 3873 1 15 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.435 0.055 18327 3874 1 15 . 1 1 18 18 TYR CA C 18 55.300 55.300 56.924 -1.624 18327 3875 1 15 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.379 1.431 18327 3876 1 15 . 1 1 18 18 TYR H H 18 7.288 7.288 7.229 0.059 18327 3877 1 15 . 1 1 19 19 ASN N N 19 116.800 116.800 121.659 -4.859 18327 3878 1 15 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.716 -0.006 18327 3879 1 15 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.860 -0.920 18327 3880 1 15 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.239 -0.179 18327 3881 1 15 . 1 1 19 19 ASN H H 19 8.122 8.122 8.675 -0.553 18327 3882 1 15 . 1 1 20 20 TYR N N 20 122.000 122.000 124.309 -2.309 18327 3883 1 15 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.705 0.005 18327 3884 1 15 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.890 -0.170 18327 3885 1 15 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.720 -0.470 18327 3886 1 15 . 1 1 20 20 TYR H H 20 8.994 8.994 8.479 0.515 18327 3887 1 15 . 1 1 21 21 ASP N N 21 128.500 128.500 121.690 6.810 18327 3888 1 15 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.937 -0.147 18327 3889 1 15 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.382 -0.012 18327 3890 1 15 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.932 -2.802 18327 3891 1 15 . 1 1 21 21 ASP H H 21 7.839 7.839 7.603 0.236 18327 3892 1 15 . 1 1 22 22 ALA N N 22 125.200 125.200 123.391 1.809 18327 3893 1 15 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.452 -0.402 18327 3894 1 15 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.885 0.055 18327 3895 1 15 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.478 0.972 18327 3896 1 15 . 1 1 22 22 ALA H H 22 8.107 8.107 8.404 -0.297 18327 3897 1 15 . 1 1 23 23 ARG N N 23 122.200 122.200 123.036 -0.836 18327 3898 1 15 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.195 0.155 18327 3899 1 15 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.182 -1.692 18327 3900 1 15 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.554 0.146 18327 3901 1 15 . 1 1 23 23 ARG H H 23 8.889 8.889 8.621 0.268 18327 3902 1 15 . 1 1 24 24 GLY N N 24 105.200 105.200 106.273 -1.073 18327 3903 1 15 . 1 1 24 24 GLY CA C 24 44.500 44.500 43.816 0.684 18327 3904 1 15 . 1 1 24 24 GLY H H 24 7.267 7.267 7.673 -0.406 18327 3905 1 15 . 1 1 25 25 ALA N N 25 122.200 122.200 121.598 0.602 18327 3906 1 15 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.252 -0.092 18327 3907 1 15 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.937 0.503 18327 3908 1 15 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.081 -0.311 18327 3909 1 15 . 1 1 25 25 ALA H H 25 8.621 8.621 8.411 0.210 18327 3910 1 15 . 1 1 26 26 ASP N N 26 114.700 114.700 120.133 -5.433 18327 3911 1 15 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.716 -0.016 18327 3912 1 15 . 1 1 26 26 ASP CA C 26 53.870 53.870 54.095 -0.225 18327 3913 1 15 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.265 0.125 18327 3914 1 15 . 1 1 26 26 ASP H H 26 8.949 8.949 8.528 0.421 18327 3915 1 15 . 1 1 27 27 GLU N N 27 118.800 118.800 118.479 0.321 18327 3916 1 15 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.616 0.604 18327 3917 1 15 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.043 -0.113 18327 3918 1 15 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.122 0.758 18327 3919 1 15 . 1 1 27 27 GLU H H 27 7.542 7.542 7.556 -0.014 18327 3920 1 15 . 1 1 28 28 LEU N N 28 121.400 121.400 120.667 0.733 18327 3921 1 15 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.689 0.071 18327 3922 1 15 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.483 -1.363 18327 3923 1 15 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.266 -0.766 18327 3924 1 15 . 1 1 28 28 LEU H H 28 8.897 8.897 8.342 0.555 18327 3925 1 15 . 1 1 29 29 SER N N 29 115.700 115.700 119.216 -3.516 18327 3926 1 15 . 1 1 29 29 SER HA H 29 5.030 5.030 4.355 0.675 18327 3927 1 15 . 1 1 29 29 SER CA C 29 58.470 58.470 59.763 -1.293 18327 3928 1 15 . 1 1 29 29 SER CB C 29 63.690 63.690 63.825 -0.136 18327 3929 1 15 . 1 1 29 29 SER H H 29 7.949 7.949 8.433 -0.484 18327 3930 1 15 . 1 1 30 30 LEU N N 30 121.300 121.300 119.080 2.220 18327 3931 1 15 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.640 0.160 18327 3932 1 15 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.424 -2.484 18327 3933 1 15 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.629 0.741 18327 3934 1 15 . 1 1 30 30 LEU H H 30 9.503 9.503 8.393 1.110 18327 3935 1 15 . 1 1 31 31 GLN N N 31 123.100 123.100 119.287 3.813 18327 3936 1 15 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.721 0.349 18327 3937 1 15 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.348 -1.408 18327 3938 1 15 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.150 -1.960 18327 3939 1 15 . 1 1 31 31 GLN H H 31 9.152 9.152 8.402 0.750 18327 3940 1 15 . 1 1 32 32 ILE N N 32 120.800 120.800 120.419 0.381 18327 3941 1 15 . 1 1 32 32 ILE HA H 32 3.030 3.030 4.029 -0.999 18327 3942 1 15 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.303 1.947 18327 3943 1 15 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.746 0.194 18327 3944 1 15 . 1 1 32 32 ILE H H 32 8.019 8.019 8.676 -0.657 18327 3945 1 15 . 1 1 33 33 GLY N N 33 115.700 115.700 114.717 0.983 18327 3946 1 15 . 1 1 33 33 GLY CA C 33 44.500 44.500 45.022 -0.522 18327 3947 1 15 . 1 1 33 33 GLY H H 33 8.777 8.777 9.115 -0.338 18327 3948 1 15 . 1 1 34 34 ASP N N 34 122.300 122.300 120.661 1.639 18327 3949 1 15 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.906 -0.266 18327 3950 1 15 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.083 2.777 18327 3951 1 15 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.798 -1.488 18327 3952 1 15 . 1 1 34 34 ASP H H 34 8.690 8.690 7.638 1.052 18327 3953 1 15 . 1 1 35 35 THR N N 35 117.900 117.900 115.424 2.476 18327 3954 1 15 . 1 1 35 35 THR HA H 35 5.160 5.160 5.295 -0.135 18327 3955 1 15 . 1 1 35 35 THR CA C 35 61.450 61.450 61.281 0.169 18327 3956 1 15 . 1 1 35 35 THR CB C 35 69.090 69.090 71.183 -2.093 18327 3957 1 15 . 1 1 35 35 THR H H 35 8.389 8.389 8.208 0.181 18327 3958 1 15 . 1 1 36 36 VAL N N 36 118.200 118.200 117.679 0.521 18327 3959 1 15 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.363 0.737 18327 3960 1 15 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.749 -2.839 18327 3961 1 15 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.075 -0.885 18327 3962 1 15 . 1 1 36 36 VAL H H 36 9.019 9.019 9.074 -0.055 18327 3963 1 15 . 1 1 37 37 HIS N N 37 122.100 122.100 119.330 2.770 18327 3964 1 15 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.976 -0.136 18327 3965 1 15 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.035 -1.475 18327 3966 1 15 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.334 -2.074 18327 3967 1 15 . 1 1 37 37 HIS H H 37 8.489 8.489 8.695 -0.206 18327 3968 1 15 . 1 1 38 38 ILE N N 38 126.400 126.400 126.459 -0.059 18327 3969 1 15 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.571 -0.791 18327 3970 1 15 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.027 0.613 18327 3971 1 15 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.843 0.037 18327 3972 1 15 . 1 1 38 38 ILE H H 38 8.636 8.636 8.868 -0.232 18327 3973 1 15 . 1 1 39 39 LEU N N 39 126.000 126.000 126.320 -0.320 18327 3974 1 15 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.850 -0.450 18327 3975 1 15 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.057 0.433 18327 3976 1 15 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.881 -0.131 18327 3977 1 15 . 1 1 39 39 LEU H H 39 9.162 9.162 8.937 0.226 18327 3978 1 15 . 1 1 40 40 GLU N N 40 115.100 115.100 117.356 -2.256 18327 3979 1 15 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.726 3.169 18327 3980 1 15 . 1 1 41 41 THR N N 41 116.400 116.400 111.560 4.840 18327 3981 1 15 . 1 1 41 41 THR HA H 41 4.270 4.270 4.793 -0.523 18327 3982 1 15 . 1 1 41 41 THR CA C 41 60.890 60.890 60.863 0.027 18327 3983 1 15 . 1 1 41 41 THR CB C 41 69.650 69.650 70.578 -0.928 18327 3984 1 15 . 1 1 41 41 THR H H 41 8.162 8.162 8.421 -0.259 18327 3985 1 15 . 1 1 43 43 GLU N N 43 123.300 123.300 120.706 2.594 18327 3986 1 15 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.232 0.038 18327 3987 1 15 . 1 1 43 43 GLU CA C 43 57.350 57.350 56.172 1.178 18327 3988 1 15 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.571 -2.781 18327 3989 1 15 . 1 1 43 43 GLU H H 43 8.108 8.108 8.392 -0.284 18327 3990 1 15 . 1 1 44 44 GLY CA C 44 45.440 45.440 44.934 0.505 18327 3991 1 15 . 1 1 45 45 TRP N N 45 124.100 124.100 120.820 3.280 18327 3992 1 15 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.397 0.293 18327 3993 1 15 . 1 1 45 45 TRP H H 45 8.590 8.590 7.429 1.161 18327 3994 1 15 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.618 0.982 18327 3995 1 15 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.072 -3.012 18327 3996 1 15 . 1 1 46 46 TYR CB C 46 42.060 42.060 41.618 0.442 18327 3997 1 15 . 1 1 47 47 ARG N N 47 118.100 118.100 122.127 -4.027 18327 3998 1 15 . 1 1 47 47 ARG HA H 47 5.070 5.070 5.262 -0.192 18327 3999 1 15 . 1 1 47 47 ARG CA C 47 54.060 54.060 53.772 0.289 18327 4000 1 15 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.930 -1.680 18327 4001 1 15 . 1 1 47 47 ARG H H 47 8.495 8.495 9.158 -0.663 18327 4002 1 15 . 1 1 48 48 GLY N N 48 114.000 114.000 112.995 1.005 18327 4003 1 15 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.176 0.384 18327 4004 1 15 . 1 1 48 48 GLY H H 48 9.183 9.183 9.077 0.106 18327 4005 1 15 . 1 1 49 49 TYR N N 49 116.200 116.200 116.201 -0.001 18327 4006 1 15 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.091 0.289 18327 4007 1 15 . 1 1 49 49 TYR CA C 49 55.110 55.110 57.088 -1.978 18327 4008 1 15 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.356 1.394 18327 4009 1 15 . 1 1 49 49 TYR H H 49 8.199 8.199 8.454 -0.255 18327 4010 1 15 . 1 1 50 50 THR N N 50 112.200 112.200 111.076 1.124 18327 4011 1 15 . 1 1 50 50 THR HA H 50 5.120 5.120 4.300 0.820 18327 4012 1 15 . 1 1 50 50 THR CA C 50 59.770 59.770 61.416 -1.646 18327 4013 1 15 . 1 1 50 50 THR CB C 50 69.460 69.460 69.981 -0.521 18327 4014 1 15 . 1 1 50 50 THR H H 50 9.436 9.436 8.163 1.273 18327 4015 1 15 . 1 1 51 51 LEU N N 51 121.300 121.300 120.133 1.167 18327 4016 1 15 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.361 -0.131 18327 4017 1 15 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.107 0.683 18327 4018 1 15 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.128 -2.128 18327 4019 1 15 . 1 1 51 51 LEU H H 51 8.313 8.313 8.117 0.196 18327 4020 1 15 . 1 1 52 52 ARG N N 52 116.600 116.600 118.232 -1.632 18327 4021 1 15 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.155 0.095 18327 4022 1 15 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.736 -0.386 18327 4023 1 15 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.866 -0.356 18327 4024 1 15 . 1 1 52 52 ARG H H 52 8.053 8.053 7.599 0.454 18327 4025 1 15 . 1 1 53 53 LYS N N 53 122.600 122.600 117.229 5.371 18327 4026 1 15 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.468 0.152 18327 4027 1 15 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.580 -0.960 18327 4028 1 15 . 1 1 53 53 LYS CB C 53 32.310 32.310 32.281 0.030 18327 4029 1 15 . 1 1 53 53 LYS H H 53 7.655 7.655 7.833 -0.178 18327 4030 1 15 . 1 1 54 54 LYS N N 54 124.900 124.900 123.637 1.263 18327 4031 1 15 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.254 -0.164 18327 4032 1 15 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.534 -0.064 18327 4033 1 15 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.423 -0.293 18327 4034 1 15 . 1 1 54 54 LYS H H 54 8.499 8.499 8.736 -0.237 18327 4035 1 15 . 1 1 55 55 SER N N 55 110.100 110.100 114.290 -4.190 18327 4036 1 15 . 1 1 55 55 SER HA H 55 4.140 4.140 4.318 -0.178 18327 4037 1 15 . 1 1 55 55 SER CA C 55 58.470 58.470 60.628 -2.158 18327 4038 1 15 . 1 1 55 55 SER CB C 55 63.310 63.310 63.296 0.014 18327 4039 1 15 . 1 1 55 55 SER H H 55 7.862 7.862 8.268 -0.406 18327 4040 1 15 . 1 1 56 56 LYS N N 56 124.000 124.000 123.103 0.897 18327 4041 1 15 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.288 0.412 18327 4042 1 15 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.755 -0.945 18327 4043 1 15 . 1 1 56 56 LYS CB C 56 33.250 33.250 31.506 1.744 18327 4044 1 15 . 1 1 56 56 LYS H H 56 7.481 7.481 8.258 -0.777 18327 4045 1 15 . 1 1 57 57 LYS N N 57 125.700 125.700 122.414 3.286 18327 4046 1 15 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.514 0.816 18327 4047 1 15 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.669 -1.049 18327 4048 1 15 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.549 -0.309 18327 4049 1 15 . 1 1 57 57 LYS H H 57 8.475 8.475 7.669 0.806 18327 4050 1 15 . 1 1 58 58 GLY N N 58 109.400 109.400 107.428 1.972 18327 4051 1 15 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.376 0.244 18327 4052 1 15 . 1 1 58 58 GLY H H 58 9.073 9.073 8.631 0.442 18327 4053 1 15 . 1 1 59 59 ILE N N 59 113.900 113.900 117.878 -3.978 18327 4054 1 15 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.355 0.645 18327 4055 1 15 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.126 1.464 18327 4056 1 15 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.364 -1.224 18327 4057 1 15 . 1 1 59 59 ILE H H 59 8.628 8.628 8.167 0.461 18327 4058 1 15 . 1 1 60 60 PHE N N 60 116.900 116.900 113.847 3.053 18327 4059 1 15 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.176 -0.056 18327 4060 1 15 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.510 -1.450 18327 4061 1 15 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.462 -2.272 18327 4062 1 15 . 1 1 60 60 PHE H H 60 8.724 8.724 8.580 0.144 18327 4063 1 15 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.830 -0.350 18327 4064 1 15 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.054 0.146 18327 4065 1 15 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.151 0.039 18327 4066 1 15 . 1 1 62 62 ALA N N 62 124.600 124.600 127.407 -2.807 18327 4067 1 15 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.489 -0.769 18327 4068 1 15 . 1 1 62 62 ALA CA C 62 54.370 54.370 55.339 -0.969 18327 4069 1 15 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.321 -0.671 18327 4070 1 15 . 1 1 62 62 ALA H H 62 7.898 7.898 8.656 -0.758 18327 4071 1 15 . 1 1 63 63 SER N N 63 109.700 109.700 111.640 -1.940 18327 4072 1 15 . 1 1 63 63 SER HA H 63 4.200 4.200 4.459 -0.259 18327 4073 1 15 . 1 1 63 63 SER CA C 63 59.400 59.400 60.210 -0.810 18327 4074 1 15 . 1 1 63 63 SER CB C 63 62.380 62.380 62.695 -0.315 18327 4075 1 15 . 1 1 63 63 SER H H 63 8.030 8.030 8.363 -0.333 18327 4076 1 15 . 1 1 64 64 TYR N N 64 120.300 120.300 118.878 1.422 18327 4077 1 15 . 1 1 64 64 TYR HA H 64 4.260 4.260 3.927 0.333 18327 4078 1 15 . 1 1 64 64 TYR CA C 64 57.720 57.720 59.943 -2.223 18327 4079 1 15 . 1 1 64 64 TYR CB C 64 37.560 37.560 39.135 -1.575 18327 4080 1 15 . 1 1 64 64 TYR H H 64 7.124 7.124 7.243 -0.119 18327 4081 1 15 . 1 1 65 65 ILE N N 65 118.000 118.000 116.357 1.643 18327 4082 1 15 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.762 0.068 18327 4083 1 15 . 1 1 65 65 ILE CA C 65 56.980 56.980 60.008 -3.028 18327 4084 1 15 . 1 1 65 65 ILE CB C 65 39.630 39.630 40.180 -0.550 18327 4085 1 15 . 1 1 65 65 ILE H H 65 7.671 7.671 7.345 0.326 18327 4086 1 15 . 1 1 66 66 HIS N N 66 124.500 124.500 126.127 -1.627 18327 4087 1 15 . 1 1 66 66 HIS HA H 66 5.130 5.130 5.126 0.004 18327 4088 1 15 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.736 -1.676 18327 4089 1 15 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.146 -2.636 18327 4090 1 15 . 1 1 66 66 HIS H H 66 9.159 9.159 9.256 -0.097 18327 4091 1 15 . 1 1 67 67 LEU N N 67 127.400 127.400 126.592 0.808 18327 4092 1 15 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.849 -0.289 18327 4093 1 15 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.498 -0.198 18327 4094 1 15 . 1 1 67 67 LEU CB C 67 42.060 42.060 43.013 -0.952 18327 4095 1 15 . 1 1 67 67 LEU H H 67 8.979 8.979 8.734 0.245 18327 4096 1 15 . 1 1 68 68 LYS N N 68 121.900 121.900 123.734 -1.834 18327 4097 1 15 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.407 0.083 18327 4098 1 15 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.270 -0.160 18327 4099 1 15 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.720 -0.110 18327 4100 1 15 . 1 1 68 68 LYS H H 68 8.499 8.499 8.987 -0.488 18327 4101 1 15 . 1 1 69 69 GLU N N 69 122.100 122.100 124.714 -2.614 18327 4102 1 15 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.087 0.203 18327 4103 1 15 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.957 -1.347 18327 4104 1 15 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.951 0.379 18327 4105 1 15 . 1 1 69 69 GLU H H 69 8.569 8.569 8.453 0.116 18327 4106 1 15 . 1 1 70 70 ALA N N 70 123.300 123.300 126.714 -3.414 18327 4107 1 15 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.060 0.150 18327 4108 1 15 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.909 -1.099 18327 4109 1 15 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.573 1.127 18327 4110 1 15 . 1 1 70 70 ALA H H 70 8.181 8.181 8.434 -0.253 18327 4111 1 15 . 1 1 71 71 ILE N N 71 120.000 120.000 121.447 -1.447 18327 4112 1 15 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.244 -0.174 18327 4113 1 15 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.159 0.171 18327 4114 1 15 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.966 -1.276 18327 4115 1 15 . 1 1 71 71 ILE H H 71 7.789 7.789 8.293 -0.504 18327 4116 1 15 . 1 1 72 72 VAL N N 72 124.400 124.400 121.324 3.076 18327 4117 1 15 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.304 -0.234 18327 4118 1 15 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.490 0.149 18327 4119 1 15 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.272 0.418 18327 4120 1 15 . 1 1 72 72 VAL H H 72 8.089 8.089 8.296 -0.207 18327 4121 1 15 . 1 1 73 73 GLU N N 73 125.940 125.940 124.568 1.372 18327 4122 1 15 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.454 -0.154 18327 4123 1 15 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.503 0.107 18327 4124 1 15 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.862 -0.152 18327 4125 1 15 . 1 1 73 73 GLU H H 73 8.464 8.464 8.542 -0.078 18327 4126 1 16 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.558 1.002 18327 4127 1 16 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.651 0.209 18327 4128 1 16 . 1 1 13 13 TYR CB C 13 42.440 42.440 40.328 2.112 18327 4129 1 16 . 1 1 14 14 GLY N N 14 105.400 105.400 106.149 -0.749 18327 4130 1 16 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.734 1.506 18327 4131 1 16 . 1 1 14 14 GLY H H 14 8.406 8.406 8.493 -0.087 18327 4132 1 16 . 1 1 15 15 VAL N N 15 118.900 118.900 121.659 -2.759 18327 4133 1 16 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.966 0.364 18327 4134 1 16 . 1 1 15 15 VAL CA C 15 59.210 59.210 59.625 -0.415 18327 4135 1 16 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.338 0.402 18327 4136 1 16 . 1 1 15 15 VAL H H 15 8.854 8.854 8.167 0.687 18327 4137 1 16 . 1 1 16 16 ALA N N 16 129.400 129.400 129.546 -0.146 18327 4138 1 16 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.778 0.222 18327 4139 1 16 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.666 0.334 18327 4140 1 16 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.278 -0.948 18327 4141 1 16 . 1 1 16 16 ALA H H 16 9.112 9.112 9.066 0.046 18327 4142 1 16 . 1 1 17 17 PHE N N 17 123.900 123.900 123.762 0.138 18327 4143 1 16 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.605 0.135 18327 4144 1 16 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.163 -0.933 18327 4145 1 16 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.756 -0.756 18327 4146 1 16 . 1 1 17 17 PHE H H 17 8.785 8.785 8.579 0.206 18327 4147 1 16 . 1 1 18 18 TYR N N 18 118.100 118.100 118.803 -0.703 18327 4148 1 16 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.465 0.025 18327 4149 1 16 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.549 -2.249 18327 4150 1 16 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.111 1.699 18327 4151 1 16 . 1 1 18 18 TYR H H 18 7.288 7.288 7.721 -0.433 18327 4152 1 16 . 1 1 19 19 ASN N N 19 116.800 116.800 121.720 -4.920 18327 4153 1 16 . 1 1 19 19 ASN HA H 19 4.710 4.710 5.135 -0.425 18327 4154 1 16 . 1 1 19 19 ASN CA C 19 52.940 52.940 52.919 0.021 18327 4155 1 16 . 1 1 19 19 ASN CB C 19 39.060 39.060 38.001 1.059 18327 4156 1 16 . 1 1 19 19 ASN H H 19 8.122 8.122 8.808 -0.686 18327 4157 1 16 . 1 1 20 20 TYR N N 20 122.000 122.000 124.413 -2.413 18327 4158 1 16 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.665 0.045 18327 4159 1 16 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.347 -0.627 18327 4160 1 16 . 1 1 20 20 TYR CB C 20 42.250 42.250 41.762 0.488 18327 4161 1 16 . 1 1 20 20 TYR H H 20 8.994 8.994 8.513 0.481 18327 4162 1 16 . 1 1 21 21 ASP N N 21 128.500 128.500 122.063 6.437 18327 4163 1 16 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.834 -0.044 18327 4164 1 16 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.774 -0.404 18327 4165 1 16 . 1 1 21 21 ASP CB C 21 41.130 41.130 44.421 -3.291 18327 4166 1 16 . 1 1 21 21 ASP H H 21 7.839 7.839 7.495 0.344 18327 4167 1 16 . 1 1 22 22 ALA N N 22 125.200 125.200 123.106 2.094 18327 4168 1 16 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.739 -0.689 18327 4169 1 16 . 1 1 22 22 ALA CA C 22 52.940 52.940 51.924 1.016 18327 4170 1 16 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.313 1.137 18327 4171 1 16 . 1 1 22 22 ALA H H 22 8.107 8.107 8.437 -0.330 18327 4172 1 16 . 1 1 23 23 ARG N N 23 122.200 122.200 125.721 -3.521 18327 4173 1 16 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.257 0.093 18327 4174 1 16 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.926 -1.437 18327 4175 1 16 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.771 -0.071 18327 4176 1 16 . 1 1 23 23 ARG H H 23 8.889 8.889 8.921 -0.032 18327 4177 1 16 . 1 1 24 24 GLY N N 24 105.200 105.200 105.915 -0.715 18327 4178 1 16 . 1 1 24 24 GLY CA C 24 44.500 44.500 43.868 0.632 18327 4179 1 16 . 1 1 24 24 GLY H H 24 7.267 7.267 7.654 -0.387 18327 4180 1 16 . 1 1 25 25 ALA N N 25 122.200 122.200 121.224 0.976 18327 4181 1 16 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.249 -0.089 18327 4182 1 16 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.802 0.638 18327 4183 1 16 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.939 -0.169 18327 4184 1 16 . 1 1 25 25 ALA H H 25 8.621 8.621 8.400 0.221 18327 4185 1 16 . 1 1 26 26 ASP N N 26 114.700 114.700 116.436 -1.736 18327 4186 1 16 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.569 0.131 18327 4187 1 16 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.462 0.408 18327 4188 1 16 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.115 0.275 18327 4189 1 16 . 1 1 26 26 ASP H H 26 8.949 8.949 8.383 0.566 18327 4190 1 16 . 1 1 27 27 GLU N N 27 118.800 118.800 118.912 -0.112 18327 4191 1 16 . 1 1 27 27 GLU HA H 27 5.220 5.220 5.003 0.217 18327 4192 1 16 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.188 -0.258 18327 4193 1 16 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.940 -0.060 18327 4194 1 16 . 1 1 27 27 GLU H H 27 7.542 7.542 7.689 -0.147 18327 4195 1 16 . 1 1 28 28 LEU N N 28 121.400 121.400 120.618 0.782 18327 4196 1 16 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.733 0.027 18327 4197 1 16 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.664 -1.544 18327 4198 1 16 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.480 -0.980 18327 4199 1 16 . 1 1 28 28 LEU H H 28 8.897 8.897 8.158 0.739 18327 4200 1 16 . 1 1 29 29 SER N N 29 115.700 115.700 119.379 -3.679 18327 4201 1 16 . 1 1 29 29 SER HA H 29 5.030 5.030 4.536 0.494 18327 4202 1 16 . 1 1 29 29 SER CA C 29 58.470 58.470 59.784 -1.314 18327 4203 1 16 . 1 1 29 29 SER CB C 29 63.690 63.690 63.792 -0.102 18327 4204 1 16 . 1 1 29 29 SER H H 29 7.949 7.949 8.459 -0.510 18327 4205 1 16 . 1 1 30 30 LEU N N 30 121.300 121.300 122.021 -0.721 18327 4206 1 16 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.667 0.133 18327 4207 1 16 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.156 -2.216 18327 4208 1 16 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.847 0.523 18327 4209 1 16 . 1 1 30 30 LEU H H 30 9.503 9.503 8.807 0.696 18327 4210 1 16 . 1 1 31 31 GLN N N 31 123.100 123.100 122.147 0.953 18327 4211 1 16 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.920 0.150 18327 4212 1 16 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.036 -1.096 18327 4213 1 16 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.305 -1.115 18327 4214 1 16 . 1 1 31 31 GLN H H 31 9.152 9.152 8.341 0.811 18327 4215 1 16 . 1 1 32 32 ILE N N 32 120.800 120.800 120.515 0.285 18327 4216 1 16 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.766 -0.736 18327 4217 1 16 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.405 1.845 18327 4218 1 16 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.475 0.465 18327 4219 1 16 . 1 1 32 32 ILE H H 32 8.019 8.019 8.142 -0.123 18327 4220 1 16 . 1 1 33 33 GLY N N 33 115.700 115.700 113.934 1.766 18327 4221 1 16 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.950 -0.450 18327 4222 1 16 . 1 1 33 33 GLY H H 33 8.777 8.777 8.586 0.191 18327 4223 1 16 . 1 1 34 34 ASP N N 34 122.300 122.300 121.467 0.833 18327 4224 1 16 . 1 1 34 34 ASP HA H 34 4.640 4.640 5.001 -0.361 18327 4225 1 16 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.902 1.958 18327 4226 1 16 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.028 -0.717 18327 4227 1 16 . 1 1 34 34 ASP H H 34 8.690 8.690 7.626 1.064 18327 4228 1 16 . 1 1 35 35 THR N N 35 117.900 117.900 114.662 3.238 18327 4229 1 16 . 1 1 35 35 THR HA H 35 5.160 5.160 5.317 -0.157 18327 4230 1 16 . 1 1 35 35 THR CA C 35 61.450 61.450 60.839 0.611 18327 4231 1 16 . 1 1 35 35 THR CB C 35 69.090 69.090 70.878 -1.788 18327 4232 1 16 . 1 1 35 35 THR H H 35 8.389 8.389 8.241 0.148 18327 4233 1 16 . 1 1 36 36 VAL N N 36 118.200 118.200 116.101 2.099 18327 4234 1 16 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.404 0.696 18327 4235 1 16 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.095 -2.185 18327 4236 1 16 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.702 -0.512 18327 4237 1 16 . 1 1 36 36 VAL H H 36 9.019 9.019 8.994 0.025 18327 4238 1 16 . 1 1 37 37 HIS N N 37 122.100 122.100 119.748 2.352 18327 4239 1 16 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.950 -0.110 18327 4240 1 16 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.275 -1.715 18327 4241 1 16 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.227 -1.967 18327 4242 1 16 . 1 1 37 37 HIS H H 37 8.489 8.489 8.664 -0.175 18327 4243 1 16 . 1 1 38 38 ILE N N 38 126.400 126.400 126.615 -0.215 18327 4244 1 16 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.369 -0.589 18327 4245 1 16 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.499 0.141 18327 4246 1 16 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.414 0.466 18327 4247 1 16 . 1 1 38 38 ILE H H 38 8.636 8.636 8.769 -0.133 18327 4248 1 16 . 1 1 39 39 LEU N N 39 126.000 126.000 126.204 -0.204 18327 4249 1 16 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.977 -0.577 18327 4250 1 16 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.619 -0.129 18327 4251 1 16 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.422 -0.672 18327 4252 1 16 . 1 1 39 39 LEU H H 39 9.162 9.162 8.758 0.404 18327 4253 1 16 . 1 1 40 40 GLU N N 40 115.100 115.100 118.104 -3.004 18327 4254 1 16 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.778 3.117 18327 4255 1 16 . 1 1 41 41 THR N N 41 116.400 116.400 113.190 3.210 18327 4256 1 16 . 1 1 41 41 THR HA H 41 4.270 4.270 5.037 -0.767 18327 4257 1 16 . 1 1 41 41 THR CA C 41 60.890 60.890 61.081 -0.191 18327 4258 1 16 . 1 1 41 41 THR CB C 41 69.650 69.650 70.510 -0.860 18327 4259 1 16 . 1 1 41 41 THR H H 41 8.162 8.162 8.523 -0.361 18327 4260 1 16 . 1 1 43 43 GLU N N 43 123.300 123.300 123.399 -0.099 18327 4261 1 16 . 1 1 43 43 GLU HA H 43 4.270 4.270 3.702 0.568 18327 4262 1 16 . 1 1 43 43 GLU CA C 43 57.350 57.350 56.883 0.467 18327 4263 1 16 . 1 1 43 43 GLU CB C 43 26.790 26.790 28.348 -1.558 18327 4264 1 16 . 1 1 43 43 GLU H H 43 8.108 8.108 8.941 -0.833 18327 4265 1 16 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.373 0.067 18327 4266 1 16 . 1 1 45 45 TRP N N 45 124.100 124.100 118.406 5.694 18327 4267 1 16 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.812 -0.122 18327 4268 1 16 . 1 1 45 45 TRP H H 45 8.590 8.590 7.250 1.340 18327 4269 1 16 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.730 0.870 18327 4270 1 16 . 1 1 46 46 TYR CA C 46 54.060 54.060 56.608 -2.548 18327 4271 1 16 . 1 1 46 46 TYR CB C 46 42.060 42.060 39.379 2.682 18327 4272 1 16 . 1 1 47 47 ARG N N 47 118.100 118.100 122.390 -4.290 18327 4273 1 16 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.854 0.216 18327 4274 1 16 . 1 1 47 47 ARG CA C 47 54.060 54.060 53.901 0.159 18327 4275 1 16 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.622 -1.372 18327 4276 1 16 . 1 1 47 47 ARG H H 47 8.495 8.495 8.809 -0.314 18327 4277 1 16 . 1 1 48 48 GLY N N 48 114.000 114.000 111.842 2.158 18327 4278 1 16 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.423 0.137 18327 4279 1 16 . 1 1 48 48 GLY H H 48 9.183 9.183 9.140 0.043 18327 4280 1 16 . 1 1 49 49 TYR N N 49 116.200 116.200 117.633 -1.433 18327 4281 1 16 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.171 0.209 18327 4282 1 16 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.883 -1.773 18327 4283 1 16 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.899 0.851 18327 4284 1 16 . 1 1 49 49 TYR H H 49 8.199 8.199 8.408 -0.209 18327 4285 1 16 . 1 1 50 50 THR N N 50 112.200 112.200 111.106 1.094 18327 4286 1 16 . 1 1 50 50 THR HA H 50 5.120 5.120 4.257 0.863 18327 4287 1 16 . 1 1 50 50 THR CA C 50 59.770 59.770 61.181 -1.411 18327 4288 1 16 . 1 1 50 50 THR CB C 50 69.460 69.460 69.911 -0.451 18327 4289 1 16 . 1 1 50 50 THR H H 50 9.436 9.436 8.390 1.046 18327 4290 1 16 . 1 1 51 51 LEU N N 51 121.300 121.300 120.004 1.296 18327 4291 1 16 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.345 -0.115 18327 4292 1 16 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.446 1.344 18327 4293 1 16 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.989 -1.989 18327 4294 1 16 . 1 1 51 51 LEU H H 51 8.313 8.313 8.294 0.019 18327 4295 1 16 . 1 1 52 52 ARG N N 52 116.600 116.600 118.370 -1.770 18327 4296 1 16 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.128 0.122 18327 4297 1 16 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.259 0.091 18327 4298 1 16 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.635 -0.125 18327 4299 1 16 . 1 1 52 52 ARG H H 52 8.053 8.053 7.818 0.235 18327 4300 1 16 . 1 1 53 53 LYS N N 53 122.600 122.600 118.118 4.482 18327 4301 1 16 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.481 0.139 18327 4302 1 16 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.731 -1.111 18327 4303 1 16 . 1 1 53 53 LYS CB C 53 32.310 32.310 34.547 -2.236 18327 4304 1 16 . 1 1 53 53 LYS H H 53 7.655 7.655 7.499 0.156 18327 4305 1 16 . 1 1 54 54 LYS N N 54 124.900 124.900 123.899 1.001 18327 4306 1 16 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.208 -0.118 18327 4307 1 16 . 1 1 54 54 LYS CA C 54 58.470 58.470 57.991 0.479 18327 4308 1 16 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.690 -0.560 18327 4309 1 16 . 1 1 54 54 LYS H H 54 8.499 8.499 8.685 -0.186 18327 4310 1 16 . 1 1 55 55 SER N N 55 110.100 110.100 114.538 -4.438 18327 4311 1 16 . 1 1 55 55 SER HA H 55 4.140 4.140 4.282 -0.142 18327 4312 1 16 . 1 1 55 55 SER CA C 55 58.470 58.470 59.776 -1.306 18327 4313 1 16 . 1 1 55 55 SER CB C 55 63.310 63.310 63.161 0.149 18327 4314 1 16 . 1 1 55 55 SER H H 55 7.862 7.862 7.968 -0.106 18327 4315 1 16 . 1 1 56 56 LYS N N 56 124.000 124.000 120.805 3.195 18327 4316 1 16 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.437 0.263 18327 4317 1 16 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.787 -0.977 18327 4318 1 16 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.344 -0.094 18327 4319 1 16 . 1 1 56 56 LYS H H 56 7.481 7.481 7.927 -0.446 18327 4320 1 16 . 1 1 57 57 LYS N N 57 125.700 125.700 121.853 3.847 18327 4321 1 16 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.707 0.623 18327 4322 1 16 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.871 -0.251 18327 4323 1 16 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.798 -2.558 18327 4324 1 16 . 1 1 57 57 LYS H H 57 8.475 8.475 8.453 0.022 18327 4325 1 16 . 1 1 58 58 GLY N N 58 109.400 109.400 107.674 1.726 18327 4326 1 16 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.353 0.266 18327 4327 1 16 . 1 1 58 58 GLY H H 58 9.073 9.073 8.486 0.587 18327 4328 1 16 . 1 1 59 59 ILE N N 59 113.900 113.900 120.259 -6.359 18327 4329 1 16 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.041 0.959 18327 4330 1 16 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.492 0.098 18327 4331 1 16 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.464 -1.324 18327 4332 1 16 . 1 1 59 59 ILE H H 59 8.628 8.628 8.284 0.344 18327 4333 1 16 . 1 1 60 60 PHE N N 60 116.900 116.900 117.355 -0.455 18327 4334 1 16 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.070 0.050 18327 4335 1 16 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.035 -0.975 18327 4336 1 16 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.934 -2.744 18327 4337 1 16 . 1 1 60 60 PHE H H 60 8.724 8.724 8.718 0.006 18327 4338 1 16 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.278 0.202 18327 4339 1 16 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.348 -0.148 18327 4340 1 16 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.017 0.173 18327 4341 1 16 . 1 1 62 62 ALA N N 62 124.600 124.600 126.755 -2.155 18327 4342 1 16 . 1 1 62 62 ALA HA H 62 3.720 3.720 3.940 -0.220 18327 4343 1 16 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.241 0.129 18327 4344 1 16 . 1 1 62 62 ALA CB C 62 17.650 17.650 17.888 -0.238 18327 4345 1 16 . 1 1 62 62 ALA H H 62 7.898 7.898 8.198 -0.300 18327 4346 1 16 . 1 1 63 63 SER N N 63 109.700 109.700 112.338 -2.638 18327 4347 1 16 . 1 1 63 63 SER HA H 63 4.200 4.200 4.240 -0.040 18327 4348 1 16 . 1 1 63 63 SER CA C 63 59.400 59.400 60.399 -0.999 18327 4349 1 16 . 1 1 63 63 SER CB C 63 62.380 62.380 63.239 -0.859 18327 4350 1 16 . 1 1 63 63 SER H H 63 8.030 8.030 7.886 0.144 18327 4351 1 16 . 1 1 64 64 TYR N N 64 120.300 120.300 118.584 1.716 18327 4352 1 16 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.520 -0.260 18327 4353 1 16 . 1 1 64 64 TYR CA C 64 57.720 57.720 58.829 -1.109 18327 4354 1 16 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.341 -0.781 18327 4355 1 16 . 1 1 64 64 TYR H H 64 7.124 7.124 7.717 -0.593 18327 4356 1 16 . 1 1 65 65 ILE N N 65 118.000 118.000 116.120 1.880 18327 4357 1 16 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.887 -0.057 18327 4358 1 16 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.121 -2.141 18327 4359 1 16 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.017 0.614 18327 4360 1 16 . 1 1 65 65 ILE H H 65 7.671 7.671 7.469 0.202 18327 4361 1 16 . 1 1 66 66 HIS N N 66 124.500 124.500 123.070 1.430 18327 4362 1 16 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.807 0.323 18327 4363 1 16 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.851 -1.791 18327 4364 1 16 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.898 -2.389 18327 4365 1 16 . 1 1 66 66 HIS H H 66 9.159 9.159 8.626 0.533 18327 4366 1 16 . 1 1 67 67 LEU N N 67 127.400 127.400 126.513 0.887 18327 4367 1 16 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.720 -0.160 18327 4368 1 16 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.339 -0.039 18327 4369 1 16 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.979 -0.919 18327 4370 1 16 . 1 1 67 67 LEU H H 67 8.979 8.979 8.714 0.265 18327 4371 1 16 . 1 1 68 68 LYS N N 68 121.900 121.900 122.340 -0.440 18327 4372 1 16 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.434 0.056 18327 4373 1 16 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.220 -0.110 18327 4374 1 16 . 1 1 68 68 LYS CB C 68 34.610 34.610 34.485 0.125 18327 4375 1 16 . 1 1 68 68 LYS H H 68 8.499 8.499 9.093 -0.594 18327 4376 1 16 . 1 1 69 69 GLU N N 69 122.100 122.100 122.222 -0.122 18327 4377 1 16 . 1 1 69 69 GLU HA H 69 4.290 4.290 3.979 0.311 18327 4378 1 16 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.095 -0.485 18327 4379 1 16 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.036 2.294 18327 4380 1 16 . 1 1 69 69 GLU H H 69 8.569 8.569 8.638 -0.069 18327 4381 1 16 . 1 1 70 70 ALA N N 70 123.300 123.300 124.898 -1.598 18327 4382 1 16 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.051 0.159 18327 4383 1 16 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.426 -0.616 18327 4384 1 16 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.839 0.861 18327 4385 1 16 . 1 1 70 70 ALA H H 70 8.181 8.181 7.871 0.310 18327 4386 1 16 . 1 1 71 71 ILE N N 71 120.000 120.000 122.585 -2.585 18327 4387 1 16 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.155 -0.085 18327 4388 1 16 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.407 -1.077 18327 4389 1 16 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.831 -0.141 18327 4390 1 16 . 1 1 71 71 ILE H H 71 7.789 7.789 8.537 -0.748 18327 4391 1 16 . 1 1 72 72 VAL N N 72 124.400 124.400 120.147 4.253 18327 4392 1 16 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.389 -0.319 18327 4393 1 16 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.434 0.206 18327 4394 1 16 . 1 1 72 72 VAL CB C 72 32.690 32.690 33.618 -0.928 18327 4395 1 16 . 1 1 72 72 VAL H H 72 8.089 8.089 8.101 -0.012 18327 4396 1 16 . 1 1 73 73 GLU N N 73 125.940 125.940 120.006 5.934 18327 4397 1 16 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.831 -0.531 18327 4398 1 16 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.533 1.077 18327 4399 1 16 . 1 1 73 73 GLU CB C 73 30.710 30.710 33.143 -2.433 18327 4400 1 16 . 1 1 73 73 GLU H H 73 8.464 8.464 8.873 -0.409 18327 4401 1 17 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.558 1.002 18327 4402 1 17 . 1 1 13 13 TYR CA C 13 55.860 55.860 57.350 -1.490 18327 4403 1 17 . 1 1 13 13 TYR CB C 13 42.440 42.440 43.120 -0.680 18327 4404 1 17 . 1 1 14 14 GLY N N 14 105.400 105.400 107.196 -1.796 18327 4405 1 17 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.415 1.825 18327 4406 1 17 . 1 1 14 14 GLY H H 14 8.406 8.406 8.626 -0.220 18327 4407 1 17 . 1 1 15 15 VAL N N 15 118.900 118.900 120.796 -1.896 18327 4408 1 17 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.790 0.540 18327 4409 1 17 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.592 -1.382 18327 4410 1 17 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.291 -0.551 18327 4411 1 17 . 1 1 15 15 VAL H H 15 8.854 8.854 8.271 0.583 18327 4412 1 17 . 1 1 16 16 ALA N N 16 129.400 129.400 127.300 2.100 18327 4413 1 17 . 1 1 16 16 ALA HA H 16 5.000 5.000 5.095 -0.095 18327 4414 1 17 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.526 1.474 18327 4415 1 17 . 1 1 16 16 ALA CB C 16 19.330 19.330 21.071 -1.741 18327 4416 1 17 . 1 1 16 16 ALA H H 16 9.112 9.112 9.133 -0.021 18327 4417 1 17 . 1 1 17 17 PHE N N 17 123.900 123.900 124.232 -0.332 18327 4418 1 17 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.725 0.015 18327 4419 1 17 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.324 -1.094 18327 4420 1 17 . 1 1 17 17 PHE CB C 17 40.000 40.000 39.656 0.344 18327 4421 1 17 . 1 1 17 17 PHE H H 17 8.785 8.785 8.445 0.340 18327 4422 1 17 . 1 1 18 18 TYR N N 18 118.100 118.100 118.200 -0.100 18327 4423 1 17 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.479 0.011 18327 4424 1 17 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.334 -2.034 18327 4425 1 17 . 1 1 18 18 TYR CB C 18 42.810 42.810 42.191 0.619 18327 4426 1 17 . 1 1 18 18 TYR H H 18 7.288 7.288 7.526 -0.238 18327 4427 1 17 . 1 1 19 19 ASN N N 19 116.800 116.800 120.333 -3.533 18327 4428 1 17 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.927 -0.217 18327 4429 1 17 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.364 -0.424 18327 4430 1 17 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.022 0.038 18327 4431 1 17 . 1 1 19 19 ASN H H 19 8.122 8.122 8.820 -0.698 18327 4432 1 17 . 1 1 20 20 TYR N N 20 122.000 122.000 123.898 -1.898 18327 4433 1 17 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.520 0.190 18327 4434 1 17 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.798 -0.078 18327 4435 1 17 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.624 -0.374 18327 4436 1 17 . 1 1 20 20 TYR H H 20 8.994 8.994 8.627 0.367 18327 4437 1 17 . 1 1 21 21 ASP N N 21 128.500 128.500 120.767 7.733 18327 4438 1 17 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.873 -0.083 18327 4439 1 17 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.135 0.235 18327 4440 1 17 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.937 -2.807 18327 4441 1 17 . 1 1 21 21 ASP H H 21 7.839 7.839 7.829 0.010 18327 4442 1 17 . 1 1 22 22 ALA N N 22 125.200 125.200 123.370 1.830 18327 4443 1 17 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.460 -0.410 18327 4444 1 17 . 1 1 22 22 ALA CA C 22 52.940 52.940 53.204 -0.264 18327 4445 1 17 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.642 0.808 18327 4446 1 17 . 1 1 22 22 ALA H H 22 8.107 8.107 8.374 -0.267 18327 4447 1 17 . 1 1 23 23 ARG N N 23 122.200 122.200 120.955 1.245 18327 4448 1 17 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.522 -0.172 18327 4449 1 17 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.464 0.026 18327 4450 1 17 . 1 1 23 23 ARG CB C 23 30.700 30.700 29.992 0.708 18327 4451 1 17 . 1 1 23 23 ARG H H 23 8.889 8.889 8.742 0.147 18327 4452 1 17 . 1 1 24 24 GLY N N 24 105.200 105.200 107.522 -2.322 18327 4453 1 17 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.338 -0.838 18327 4454 1 17 . 1 1 24 24 GLY H H 24 7.267 7.267 7.562 -0.295 18327 4455 1 17 . 1 1 25 25 ALA N N 25 122.200 122.200 122.303 -0.103 18327 4456 1 17 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.271 -0.111 18327 4457 1 17 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.045 0.395 18327 4458 1 17 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.878 -0.108 18327 4459 1 17 . 1 1 25 25 ALA H H 25 8.621 8.621 8.478 0.143 18327 4460 1 17 . 1 1 26 26 ASP N N 26 114.700 114.700 118.675 -3.975 18327 4461 1 17 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.691 0.009 18327 4462 1 17 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.917 -0.047 18327 4463 1 17 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.445 -0.055 18327 4464 1 17 . 1 1 26 26 ASP H H 26 8.949 8.949 8.461 0.488 18327 4465 1 17 . 1 1 27 27 GLU N N 27 118.800 118.800 119.527 -0.727 18327 4466 1 17 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.620 0.600 18327 4467 1 17 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.009 -0.079 18327 4468 1 17 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.671 1.209 18327 4469 1 17 . 1 1 27 27 GLU H H 27 7.542 7.542 7.529 0.013 18327 4470 1 17 . 1 1 28 28 LEU N N 28 121.400 121.400 120.807 0.593 18327 4471 1 17 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.743 0.017 18327 4472 1 17 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.126 -1.006 18327 4473 1 17 . 1 1 28 28 LEU CB C 28 44.500 44.500 46.070 -1.570 18327 4474 1 17 . 1 1 28 28 LEU H H 28 8.897 8.897 8.236 0.661 18327 4475 1 17 . 1 1 29 29 SER N N 29 115.700 115.700 118.468 -2.768 18327 4476 1 17 . 1 1 29 29 SER HA H 29 5.030 5.030 5.069 -0.039 18327 4477 1 17 . 1 1 29 29 SER CA C 29 58.470 58.470 58.049 0.421 18327 4478 1 17 . 1 1 29 29 SER CB C 29 63.690 63.690 63.970 -0.280 18327 4479 1 17 . 1 1 29 29 SER H H 29 7.949 7.949 8.454 -0.505 18327 4480 1 17 . 1 1 30 30 LEU N N 30 121.300 121.300 120.221 1.079 18327 4481 1 17 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.688 0.112 18327 4482 1 17 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.203 -2.263 18327 4483 1 17 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.452 0.918 18327 4484 1 17 . 1 1 30 30 LEU H H 30 9.503 9.503 8.831 0.672 18327 4485 1 17 . 1 1 31 31 GLN N N 31 123.100 123.100 121.172 1.928 18327 4486 1 17 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.628 0.442 18327 4487 1 17 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.335 -1.395 18327 4488 1 17 . 1 1 31 31 GLN CB C 31 31.190 31.190 33.585 -2.395 18327 4489 1 17 . 1 1 31 31 GLN H H 31 9.152 9.152 8.433 0.719 18327 4490 1 17 . 1 1 32 32 ILE N N 32 120.800 120.800 121.044 -0.244 18327 4491 1 17 . 1 1 32 32 ILE HA H 32 3.030 3.030 4.034 -1.004 18327 4492 1 17 . 1 1 32 32 ILE CA C 32 64.250 64.250 61.754 2.496 18327 4493 1 17 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.587 0.353 18327 4494 1 17 . 1 1 32 32 ILE H H 32 8.019 8.019 8.635 -0.616 18327 4495 1 17 . 1 1 33 33 GLY N N 33 115.700 115.700 113.955 1.745 18327 4496 1 17 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.912 -0.412 18327 4497 1 17 . 1 1 33 33 GLY H H 33 8.777 8.777 8.614 0.163 18327 4498 1 17 . 1 1 34 34 ASP N N 34 122.300 122.300 122.230 0.070 18327 4499 1 17 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.925 -0.285 18327 4500 1 17 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.452 2.408 18327 4501 1 17 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.151 -0.841 18327 4502 1 17 . 1 1 34 34 ASP H H 34 8.690 8.690 7.670 1.020 18327 4503 1 17 . 1 1 35 35 THR N N 35 117.900 117.900 115.886 2.014 18327 4504 1 17 . 1 1 35 35 THR HA H 35 5.160 5.160 5.176 -0.016 18327 4505 1 17 . 1 1 35 35 THR CA C 35 61.450 61.450 61.663 -0.214 18327 4506 1 17 . 1 1 35 35 THR CB C 35 69.090 69.090 70.697 -1.607 18327 4507 1 17 . 1 1 35 35 THR H H 35 8.389 8.389 8.348 0.041 18327 4508 1 17 . 1 1 36 36 VAL N N 36 118.200 118.200 116.443 1.757 18327 4509 1 17 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.785 0.315 18327 4510 1 17 . 1 1 36 36 VAL CA C 36 57.910 57.910 59.625 -1.715 18327 4511 1 17 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.346 -1.156 18327 4512 1 17 . 1 1 36 36 VAL H H 36 9.019 9.019 8.886 0.133 18327 4513 1 17 . 1 1 37 37 HIS N N 37 122.100 122.100 119.148 2.952 18327 4514 1 17 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.993 -0.153 18327 4515 1 17 . 1 1 37 37 HIS CA C 37 52.560 52.560 53.962 -1.402 18327 4516 1 17 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.103 -1.843 18327 4517 1 17 . 1 1 37 37 HIS H H 37 8.489 8.489 8.220 0.269 18327 4518 1 17 . 1 1 38 38 ILE N N 38 126.400 126.400 126.020 0.380 18327 4519 1 17 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.466 -0.686 18327 4520 1 17 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.730 0.910 18327 4521 1 17 . 1 1 38 38 ILE CB C 38 38.880 38.880 39.134 -0.254 18327 4522 1 17 . 1 1 38 38 ILE H H 38 8.636 8.636 8.941 -0.305 18327 4523 1 17 . 1 1 39 39 LEU N N 39 126.000 126.000 124.366 1.634 18327 4524 1 17 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.733 -0.333 18327 4525 1 17 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.155 0.335 18327 4526 1 17 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.376 -0.625 18327 4527 1 17 . 1 1 39 39 LEU H H 39 9.162 9.162 8.995 0.167 18327 4528 1 17 . 1 1 40 40 GLU N N 40 115.100 115.100 117.654 -2.554 18327 4529 1 17 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.680 3.215 18327 4530 1 17 . 1 1 41 41 THR N N 41 116.400 116.400 111.523 4.877 18327 4531 1 17 . 1 1 41 41 THR HA H 41 4.270 4.270 4.655 -0.385 18327 4532 1 17 . 1 1 41 41 THR CA C 41 60.890 60.890 60.276 0.614 18327 4533 1 17 . 1 1 41 41 THR CB C 41 69.650 69.650 70.274 -0.624 18327 4534 1 17 . 1 1 41 41 THR H H 41 8.162 8.162 8.221 -0.059 18327 4535 1 17 . 1 1 43 43 GLU N N 43 123.300 123.300 120.020 3.280 18327 4536 1 17 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.339 -0.069 18327 4537 1 17 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.597 1.753 18327 4538 1 17 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.086 -2.296 18327 4539 1 17 . 1 1 43 43 GLU H H 43 8.108 8.108 8.345 -0.237 18327 4540 1 17 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.238 0.202 18327 4541 1 17 . 1 1 45 45 TRP N N 45 124.100 124.100 121.314 2.786 18327 4542 1 17 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.610 0.080 18327 4543 1 17 . 1 1 45 45 TRP H H 45 8.590 8.590 7.221 1.369 18327 4544 1 17 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.688 0.912 18327 4545 1 17 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.213 -3.153 18327 4546 1 17 . 1 1 46 46 TYR CB C 46 42.060 42.060 39.795 2.265 18327 4547 1 17 . 1 1 47 47 ARG N N 47 118.100 118.100 122.540 -4.440 18327 4548 1 17 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.861 0.209 18327 4549 1 17 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.243 -0.183 18327 4550 1 17 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.435 -1.185 18327 4551 1 17 . 1 1 47 47 ARG H H 47 8.495 8.495 9.005 -0.510 18327 4552 1 17 . 1 1 48 48 GLY N N 48 114.000 114.000 111.867 2.133 18327 4553 1 17 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.129 0.431 18327 4554 1 17 . 1 1 48 48 GLY H H 48 9.183 9.183 9.104 0.079 18327 4555 1 17 . 1 1 49 49 TYR N N 49 116.200 116.200 117.171 -0.971 18327 4556 1 17 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.124 0.256 18327 4557 1 17 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.934 -1.824 18327 4558 1 17 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.681 1.069 18327 4559 1 17 . 1 1 49 49 TYR H H 49 8.199 8.199 8.423 -0.224 18327 4560 1 17 . 1 1 50 50 THR N N 50 112.200 112.200 112.350 -0.150 18327 4561 1 17 . 1 1 50 50 THR HA H 50 5.120 5.120 4.184 0.936 18327 4562 1 17 . 1 1 50 50 THR CA C 50 59.770 59.770 61.928 -2.158 18327 4563 1 17 . 1 1 50 50 THR CB C 50 69.460 69.460 69.788 -0.328 18327 4564 1 17 . 1 1 50 50 THR H H 50 9.436 9.436 8.669 0.767 18327 4565 1 17 . 1 1 51 51 LEU N N 51 121.300 121.300 120.105 1.195 18327 4566 1 17 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.303 -0.073 18327 4567 1 17 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.633 1.157 18327 4568 1 17 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.986 -1.986 18327 4569 1 17 . 1 1 51 51 LEU H H 51 8.313 8.313 8.084 0.229 18327 4570 1 17 . 1 1 52 52 ARG N N 52 116.600 116.600 117.925 -1.325 18327 4571 1 17 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.134 0.116 18327 4572 1 17 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.555 -0.205 18327 4573 1 17 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.585 -0.075 18327 4574 1 17 . 1 1 52 52 ARG H H 52 8.053 8.053 7.768 0.285 18327 4575 1 17 . 1 1 53 53 LYS N N 53 122.600 122.600 117.654 4.946 18327 4576 1 17 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.571 0.049 18327 4577 1 17 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.123 -0.503 18327 4578 1 17 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.498 -1.188 18327 4579 1 17 . 1 1 53 53 LYS H H 53 7.655 7.655 7.450 0.205 18327 4580 1 17 . 1 1 54 54 LYS N N 54 124.900 124.900 123.788 1.112 18327 4581 1 17 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.483 -0.393 18327 4582 1 17 . 1 1 54 54 LYS CA C 54 58.470 58.470 57.910 0.560 18327 4583 1 17 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.589 -0.459 18327 4584 1 17 . 1 1 54 54 LYS H H 54 8.499 8.499 8.708 -0.209 18327 4585 1 17 . 1 1 55 55 SER N N 55 110.100 110.100 113.277 -3.177 18327 4586 1 17 . 1 1 55 55 SER HA H 55 4.140 4.140 4.326 -0.186 18327 4587 1 17 . 1 1 55 55 SER CA C 55 58.470 58.470 59.820 -1.350 18327 4588 1 17 . 1 1 55 55 SER CB C 55 63.310 63.310 63.311 -0.001 18327 4589 1 17 . 1 1 55 55 SER H H 55 7.862 7.862 8.018 -0.156 18327 4590 1 17 . 1 1 56 56 LYS N N 56 124.000 124.000 122.105 1.895 18327 4591 1 17 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.481 0.219 18327 4592 1 17 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.153 -0.343 18327 4593 1 17 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.991 0.259 18327 4594 1 17 . 1 1 56 56 LYS H H 56 7.481 7.481 7.379 0.102 18327 4595 1 17 . 1 1 57 57 LYS N N 57 125.700 125.700 123.220 2.480 18327 4596 1 17 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.497 0.833 18327 4597 1 17 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.928 -1.308 18327 4598 1 17 . 1 1 57 57 LYS CB C 57 34.240 34.240 34.022 0.218 18327 4599 1 17 . 1 1 57 57 LYS H H 57 8.475 8.475 8.295 0.180 18327 4600 1 17 . 1 1 58 58 GLY N N 58 109.400 109.400 106.959 2.441 18327 4601 1 17 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.479 0.141 18327 4602 1 17 . 1 1 58 58 GLY H H 58 9.073 9.073 8.759 0.314 18327 4603 1 17 . 1 1 59 59 ILE N N 59 113.900 113.900 116.788 -2.888 18327 4604 1 17 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.111 0.889 18327 4605 1 17 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.039 0.551 18327 4606 1 17 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.223 -1.083 18327 4607 1 17 . 1 1 59 59 ILE H H 59 8.628 8.628 8.306 0.322 18327 4608 1 17 . 1 1 60 60 PHE N N 60 116.900 116.900 113.995 2.905 18327 4609 1 17 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.251 -0.131 18327 4610 1 17 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.083 -1.023 18327 4611 1 17 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.979 -2.789 18327 4612 1 17 . 1 1 60 60 PHE H H 60 8.724 8.724 8.698 0.026 18327 4613 1 17 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.453 0.027 18327 4614 1 17 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.598 -0.398 18327 4615 1 17 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.157 0.033 18327 4616 1 17 . 1 1 62 62 ALA N N 62 124.600 124.600 126.571 -1.971 18327 4617 1 17 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.199 -0.479 18327 4618 1 17 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.618 -0.248 18327 4619 1 17 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.423 -0.773 18327 4620 1 17 . 1 1 62 62 ALA H H 62 7.898 7.898 8.160 -0.262 18327 4621 1 17 . 1 1 63 63 SER N N 63 109.700 109.700 112.878 -3.178 18327 4622 1 17 . 1 1 63 63 SER HA H 63 4.200 4.200 4.330 -0.130 18327 4623 1 17 . 1 1 63 63 SER CA C 63 59.400 59.400 59.765 -0.365 18327 4624 1 17 . 1 1 63 63 SER CB C 63 62.380 62.380 63.022 -0.641 18327 4625 1 17 . 1 1 63 63 SER H H 63 8.030 8.030 8.375 -0.345 18327 4626 1 17 . 1 1 64 64 TYR N N 64 120.300 120.300 119.043 1.257 18327 4627 1 17 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.688 -0.428 18327 4628 1 17 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.926 0.794 18327 4629 1 17 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.834 -0.274 18327 4630 1 17 . 1 1 64 64 TYR H H 64 7.124 7.124 7.460 -0.336 18327 4631 1 17 . 1 1 65 65 ILE N N 65 118.000 118.000 118.061 -0.061 18327 4632 1 17 . 1 1 65 65 ILE HA H 65 4.830 4.830 5.198 -0.368 18327 4633 1 17 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.036 -2.056 18327 4634 1 17 . 1 1 65 65 ILE CB C 65 39.630 39.630 42.455 -2.825 18327 4635 1 17 . 1 1 65 65 ILE H H 65 7.671 7.671 7.402 0.269 18327 4636 1 17 . 1 1 66 66 HIS N N 66 124.500 124.500 121.978 2.522 18327 4637 1 17 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.898 0.232 18327 4638 1 17 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.802 -1.742 18327 4639 1 17 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.736 -3.226 18327 4640 1 17 . 1 1 66 66 HIS H H 66 9.159 9.159 8.956 0.203 18327 4641 1 17 . 1 1 67 67 LEU N N 67 127.400 127.400 126.249 1.151 18327 4642 1 17 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.730 -0.170 18327 4643 1 17 . 1 1 67 67 LEU CA C 67 55.300 55.300 54.838 0.462 18327 4644 1 17 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.934 -0.875 18327 4645 1 17 . 1 1 67 67 LEU H H 67 8.979 8.979 8.664 0.315 18327 4646 1 17 . 1 1 68 68 LYS N N 68 121.900 121.900 124.459 -2.559 18327 4647 1 17 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.571 -0.081 18327 4648 1 17 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.313 -0.203 18327 4649 1 17 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.419 1.191 18327 4650 1 17 . 1 1 68 68 LYS H H 68 8.499 8.499 8.782 -0.283 18327 4651 1 17 . 1 1 69 69 GLU N N 69 122.100 122.100 121.575 0.525 18327 4652 1 17 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.021 0.269 18327 4653 1 17 . 1 1 69 69 GLU CA C 69 56.610 56.610 56.997 -0.387 18327 4654 1 17 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.545 0.785 18327 4655 1 17 . 1 1 69 69 GLU H H 69 8.569 8.569 8.135 0.434 18327 4656 1 17 . 1 1 70 70 ALA N N 70 123.300 123.300 122.832 0.468 18327 4657 1 17 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.048 0.162 18327 4658 1 17 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.450 -0.640 18327 4659 1 17 . 1 1 70 70 ALA CB C 70 19.700 19.700 17.891 1.809 18327 4660 1 17 . 1 1 70 70 ALA H H 70 8.181 8.181 8.606 -0.425 18327 4661 1 17 . 1 1 71 71 ILE N N 71 120.000 120.000 115.702 4.298 18327 4662 1 17 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.138 -0.068 18327 4663 1 17 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.787 -1.457 18327 4664 1 17 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.247 0.443 18327 4665 1 17 . 1 1 71 71 ILE H H 71 7.789 7.789 8.029 -0.240 18327 4666 1 17 . 1 1 72 72 VAL N N 72 124.400 124.400 125.991 -1.591 18327 4667 1 17 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.158 -0.088 18327 4668 1 17 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.183 -0.543 18327 4669 1 17 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.649 0.041 18327 4670 1 17 . 1 1 72 72 VAL H H 72 8.089 8.089 8.136 -0.047 18327 4671 1 17 . 1 1 73 73 GLU N N 73 125.940 125.940 122.262 3.678 18327 4672 1 17 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.541 -0.241 18327 4673 1 17 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.258 1.352 18327 4674 1 17 . 1 1 73 73 GLU CB C 73 30.710 30.710 31.159 -0.449 18327 4675 1 17 . 1 1 73 73 GLU H H 73 8.464 8.464 8.585 -0.121 18327 4676 1 18 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.711 0.849 18327 4677 1 18 . 1 1 13 13 TYR CA C 13 55.860 55.860 55.267 0.593 18327 4678 1 18 . 1 1 13 13 TYR CB C 13 42.440 42.440 42.429 0.011 18327 4679 1 18 . 1 1 14 14 GLY N N 14 105.400 105.400 106.603 -1.203 18327 4680 1 18 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.520 1.720 18327 4681 1 18 . 1 1 14 14 GLY H H 14 8.406 8.406 8.513 -0.107 18327 4682 1 18 . 1 1 15 15 VAL N N 15 118.900 118.900 119.442 -0.542 18327 4683 1 18 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.874 0.456 18327 4684 1 18 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.032 -0.822 18327 4685 1 18 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.023 -0.283 18327 4686 1 18 . 1 1 15 15 VAL H H 15 8.854 8.854 8.216 0.638 18327 4687 1 18 . 1 1 16 16 ALA N N 16 129.400 129.400 126.250 3.150 18327 4688 1 18 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.883 0.117 18327 4689 1 18 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.757 1.243 18327 4690 1 18 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.872 -1.542 18327 4691 1 18 . 1 1 16 16 ALA H H 16 9.112 9.112 8.955 0.157 18327 4692 1 18 . 1 1 17 17 PHE N N 17 123.900 123.900 123.755 0.145 18327 4693 1 18 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.665 0.075 18327 4694 1 18 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.633 -1.403 18327 4695 1 18 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.390 -0.390 18327 4696 1 18 . 1 1 17 17 PHE H H 17 8.785 8.785 8.744 0.041 18327 4697 1 18 . 1 1 18 18 TYR N N 18 118.100 118.100 118.404 -0.304 18327 4698 1 18 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.503 -0.013 18327 4699 1 18 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.260 -1.960 18327 4700 1 18 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.665 1.145 18327 4701 1 18 . 1 1 18 18 TYR H H 18 7.288 7.288 7.342 -0.054 18327 4702 1 18 . 1 1 19 19 ASN N N 19 116.800 116.800 121.326 -4.526 18327 4703 1 18 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.756 -0.046 18327 4704 1 18 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.385 -0.445 18327 4705 1 18 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.767 -0.706 18327 4706 1 18 . 1 1 19 19 ASN H H 19 8.122 8.122 8.541 -0.419 18327 4707 1 18 . 1 1 20 20 TYR N N 20 122.000 122.000 125.684 -3.684 18327 4708 1 18 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.689 0.021 18327 4709 1 18 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.817 -0.097 18327 4710 1 18 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.336 -0.086 18327 4711 1 18 . 1 1 20 20 TYR H H 20 8.994 8.994 8.408 0.586 18327 4712 1 18 . 1 1 21 21 ASP N N 21 128.500 128.500 119.994 8.506 18327 4713 1 18 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.780 0.010 18327 4714 1 18 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.198 0.172 18327 4715 1 18 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.706 -2.576 18327 4716 1 18 . 1 1 21 21 ASP H H 21 7.839 7.839 7.872 -0.033 18327 4717 1 18 . 1 1 22 22 ALA N N 22 125.200 125.200 121.669 3.531 18327 4718 1 18 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.581 -0.531 18327 4719 1 18 . 1 1 22 22 ALA CA C 22 52.940 52.940 51.956 0.984 18327 4720 1 18 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.898 0.552 18327 4721 1 18 . 1 1 22 22 ALA H H 22 8.107 8.107 8.285 -0.178 18327 4722 1 18 . 1 1 23 23 ARG N N 23 122.200 122.200 122.584 -0.384 18327 4723 1 18 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.190 0.160 18327 4724 1 18 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.657 -1.167 18327 4725 1 18 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.912 -0.212 18327 4726 1 18 . 1 1 23 23 ARG H H 23 8.889 8.889 8.769 0.120 18327 4727 1 18 . 1 1 24 24 GLY N N 24 105.200 105.200 105.705 -0.505 18327 4728 1 18 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.333 0.167 18327 4729 1 18 . 1 1 24 24 GLY H H 24 7.267 7.267 7.600 -0.333 18327 4730 1 18 . 1 1 25 25 ALA N N 25 122.200 122.200 121.571 0.629 18327 4731 1 18 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.224 -0.064 18327 4732 1 18 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.240 0.200 18327 4733 1 18 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.997 -0.227 18327 4734 1 18 . 1 1 25 25 ALA H H 25 8.621 8.621 8.530 0.091 18327 4735 1 18 . 1 1 26 26 ASP N N 26 114.700 114.700 116.682 -1.982 18327 4736 1 18 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.567 0.133 18327 4737 1 18 . 1 1 26 26 ASP CA C 26 53.870 53.870 55.462 -1.592 18327 4738 1 18 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.873 -0.484 18327 4739 1 18 . 1 1 26 26 ASP H H 26 8.949 8.949 8.503 0.446 18327 4740 1 18 . 1 1 27 27 GLU N N 27 118.800 118.800 117.879 0.921 18327 4741 1 18 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.887 0.333 18327 4742 1 18 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.735 -0.805 18327 4743 1 18 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.599 1.282 18327 4744 1 18 . 1 1 27 27 GLU H H 27 7.542 7.542 7.566 -0.024 18327 4745 1 18 . 1 1 28 28 LEU N N 28 121.400 121.400 120.212 1.188 18327 4746 1 18 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.778 -0.018 18327 4747 1 18 . 1 1 28 28 LEU CA C 28 53.120 53.120 53.652 -0.532 18327 4748 1 18 . 1 1 28 28 LEU CB C 28 44.500 44.500 46.536 -2.036 18327 4749 1 18 . 1 1 28 28 LEU H H 28 8.897 8.897 8.525 0.372 18327 4750 1 18 . 1 1 29 29 SER N N 29 115.700 115.700 118.479 -2.779 18327 4751 1 18 . 1 1 29 29 SER HA H 29 5.030 5.030 4.610 0.420 18327 4752 1 18 . 1 1 29 29 SER CA C 29 58.470 58.470 58.303 0.168 18327 4753 1 18 . 1 1 29 29 SER CB C 29 63.690 63.690 64.003 -0.313 18327 4754 1 18 . 1 1 29 29 SER H H 29 7.949 7.949 8.352 -0.403 18327 4755 1 18 . 1 1 30 30 LEU N N 30 121.300 121.300 120.644 0.656 18327 4756 1 18 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.539 0.261 18327 4757 1 18 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.310 -2.370 18327 4758 1 18 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.298 0.071 18327 4759 1 18 . 1 1 30 30 LEU H H 30 9.503 9.503 8.545 0.958 18327 4760 1 18 . 1 1 31 31 GLN N N 31 123.100 123.100 121.782 1.318 18327 4761 1 18 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.642 0.428 18327 4762 1 18 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.832 -0.892 18327 4763 1 18 . 1 1 31 31 GLN CB C 31 31.190 31.190 31.509 -0.319 18327 4764 1 18 . 1 1 31 31 GLN H H 31 9.152 9.152 8.546 0.606 18327 4765 1 18 . 1 1 32 32 ILE N N 32 120.800 120.800 122.255 -1.455 18327 4766 1 18 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.870 -0.840 18327 4767 1 18 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.561 1.689 18327 4768 1 18 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.593 0.347 18327 4769 1 18 . 1 1 32 32 ILE H H 32 8.019 8.019 8.529 -0.510 18327 4770 1 18 . 1 1 33 33 GLY N N 33 115.700 115.700 114.136 1.564 18327 4771 1 18 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.777 -0.277 18327 4772 1 18 . 1 1 33 33 GLY H H 33 8.777 8.777 8.493 0.284 18327 4773 1 18 . 1 1 34 34 ASP N N 34 122.300 122.300 121.626 0.674 18327 4774 1 18 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.872 -0.232 18327 4775 1 18 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.733 2.127 18327 4776 1 18 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.895 -1.585 18327 4777 1 18 . 1 1 34 34 ASP H H 34 8.690 8.690 7.630 1.060 18327 4778 1 18 . 1 1 35 35 THR N N 35 117.900 117.900 116.165 1.735 18327 4779 1 18 . 1 1 35 35 THR HA H 35 5.160 5.160 5.279 -0.119 18327 4780 1 18 . 1 1 35 35 THR CA C 35 61.450 61.450 61.137 0.313 18327 4781 1 18 . 1 1 35 35 THR CB C 35 69.090 69.090 70.561 -1.471 18327 4782 1 18 . 1 1 35 35 THR H H 35 8.389 8.389 8.247 0.142 18327 4783 1 18 . 1 1 36 36 VAL N N 36 118.200 118.200 115.748 2.452 18327 4784 1 18 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.370 0.730 18327 4785 1 18 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.229 -2.319 18327 4786 1 18 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.691 -0.502 18327 4787 1 18 . 1 1 36 36 VAL H H 36 9.019 9.019 8.926 0.093 18327 4788 1 18 . 1 1 37 37 HIS N N 37 122.100 122.100 120.693 1.407 18327 4789 1 18 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.986 -0.146 18327 4790 1 18 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.272 -1.712 18327 4791 1 18 . 1 1 37 37 HIS CB C 37 31.260 31.260 32.587 -1.327 18327 4792 1 18 . 1 1 37 37 HIS H H 37 8.489 8.489 8.693 -0.204 18327 4793 1 18 . 1 1 38 38 ILE N N 38 126.400 126.400 125.239 1.161 18327 4794 1 18 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.535 -0.755 18327 4795 1 18 . 1 1 38 38 ILE CA C 38 61.640 61.640 59.476 2.164 18327 4796 1 18 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.419 0.461 18327 4797 1 18 . 1 1 38 38 ILE H H 38 8.636 8.636 8.972 -0.336 18327 4798 1 18 . 1 1 39 39 LEU N N 39 126.000 126.000 122.914 3.086 18327 4799 1 18 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.840 -0.440 18327 4800 1 18 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.343 0.147 18327 4801 1 18 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.737 -0.987 18327 4802 1 18 . 1 1 39 39 LEU H H 39 9.162 9.162 8.645 0.517 18327 4803 1 18 . 1 1 40 40 GLU N N 40 115.100 115.100 117.934 -2.834 18327 4804 1 18 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.817 3.078 18327 4805 1 18 . 1 1 41 41 THR N N 41 116.400 116.400 109.135 7.265 18327 4806 1 18 . 1 1 41 41 THR HA H 41 4.270 4.270 4.776 -0.506 18327 4807 1 18 . 1 1 41 41 THR CA C 41 60.890 60.890 60.344 0.546 18327 4808 1 18 . 1 1 41 41 THR CB C 41 69.650 69.650 71.312 -1.662 18327 4809 1 18 . 1 1 41 41 THR H H 41 8.162 8.162 8.423 -0.261 18327 4810 1 18 . 1 1 43 43 GLU N N 43 123.300 123.300 120.543 2.757 18327 4811 1 18 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.401 -0.131 18327 4812 1 18 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.465 1.885 18327 4813 1 18 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.887 -3.096 18327 4814 1 18 . 1 1 43 43 GLU H H 43 8.108 8.108 8.525 -0.417 18327 4815 1 18 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.301 0.139 18327 4816 1 18 . 1 1 45 45 TRP N N 45 124.100 124.100 120.853 3.247 18327 4817 1 18 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.687 0.003 18327 4818 1 18 . 1 1 45 45 TRP H H 45 8.590 8.590 6.821 1.769 18327 4819 1 18 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.674 0.926 18327 4820 1 18 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.580 -3.520 18327 4821 1 18 . 1 1 46 46 TYR CB C 46 42.060 42.060 39.755 2.305 18327 4822 1 18 . 1 1 47 47 ARG N N 47 118.100 118.100 122.773 -4.673 18327 4823 1 18 . 1 1 47 47 ARG HA H 47 5.070 5.070 5.053 0.017 18327 4824 1 18 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.048 0.012 18327 4825 1 18 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.092 -0.842 18327 4826 1 18 . 1 1 47 47 ARG H H 47 8.495 8.495 9.025 -0.530 18327 4827 1 18 . 1 1 48 48 GLY N N 48 114.000 114.000 112.670 1.330 18327 4828 1 18 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.037 0.523 18327 4829 1 18 . 1 1 48 48 GLY H H 48 9.183 9.183 9.081 0.102 18327 4830 1 18 . 1 1 49 49 TYR N N 49 116.200 116.200 118.130 -1.930 18327 4831 1 18 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.022 0.358 18327 4832 1 18 . 1 1 49 49 TYR CA C 49 55.110 55.110 57.035 -1.925 18327 4833 1 18 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.113 1.637 18327 4834 1 18 . 1 1 49 49 TYR H H 49 8.199 8.199 8.448 -0.249 18327 4835 1 18 . 1 1 50 50 THR N N 50 112.200 112.200 111.677 0.523 18327 4836 1 18 . 1 1 50 50 THR HA H 50 5.120 5.120 4.232 0.888 18327 4837 1 18 . 1 1 50 50 THR CA C 50 59.770 59.770 61.425 -1.655 18327 4838 1 18 . 1 1 50 50 THR CB C 50 69.460 69.460 69.852 -0.392 18327 4839 1 18 . 1 1 50 50 THR H H 50 9.436 9.436 8.530 0.906 18327 4840 1 18 . 1 1 51 51 LEU N N 51 121.300 121.300 119.625 1.675 18327 4841 1 18 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.387 -0.157 18327 4842 1 18 . 1 1 51 51 LEU CA C 51 56.790 56.790 54.078 2.712 18327 4843 1 18 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.569 -1.569 18327 4844 1 18 . 1 1 51 51 LEU H H 51 8.313 8.313 8.211 0.102 18327 4845 1 18 . 1 1 52 52 ARG N N 52 116.600 116.600 119.045 -2.445 18327 4846 1 18 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.266 -0.016 18327 4847 1 18 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.053 0.297 18327 4848 1 18 . 1 1 52 52 ARG CB C 52 30.510 30.510 31.479 -0.969 18327 4849 1 18 . 1 1 52 52 ARG H H 52 8.053 8.053 8.310 -0.257 18327 4850 1 18 . 1 1 53 53 LYS N N 53 122.600 122.600 116.867 5.733 18327 4851 1 18 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.476 0.144 18327 4852 1 18 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.325 -0.705 18327 4853 1 18 . 1 1 53 53 LYS CB C 53 32.310 32.310 34.698 -2.388 18327 4854 1 18 . 1 1 53 53 LYS H H 53 7.655 7.655 7.609 0.046 18327 4855 1 18 . 1 1 54 54 LYS N N 54 124.900 124.900 124.347 0.553 18327 4856 1 18 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.240 -0.150 18327 4857 1 18 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.129 0.341 18327 4858 1 18 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.462 -0.332 18327 4859 1 18 . 1 1 54 54 LYS H H 54 8.499 8.499 8.759 -0.260 18327 4860 1 18 . 1 1 55 55 SER N N 55 110.100 110.100 113.023 -2.923 18327 4861 1 18 . 1 1 55 55 SER HA H 55 4.140 4.140 4.244 -0.104 18327 4862 1 18 . 1 1 55 55 SER CA C 55 58.470 58.470 60.150 -1.680 18327 4863 1 18 . 1 1 55 55 SER CB C 55 63.310 63.310 63.325 -0.015 18327 4864 1 18 . 1 1 55 55 SER H H 55 7.862 7.862 8.009 -0.147 18327 4865 1 18 . 1 1 56 56 LYS N N 56 124.000 124.000 121.727 2.273 18327 4866 1 18 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.438 0.262 18327 4867 1 18 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.323 -0.513 18327 4868 1 18 . 1 1 56 56 LYS CB C 56 33.250 33.250 33.653 -0.403 18327 4869 1 18 . 1 1 56 56 LYS H H 56 7.481 7.481 7.365 0.116 18327 4870 1 18 . 1 1 57 57 LYS N N 57 125.700 125.700 123.718 1.982 18327 4871 1 18 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.800 0.530 18327 4872 1 18 . 1 1 57 57 LYS CA C 57 54.620 54.620 54.824 -0.204 18327 4873 1 18 . 1 1 57 57 LYS CB C 57 34.240 34.240 36.448 -2.208 18327 4874 1 18 . 1 1 57 57 LYS H H 57 8.475 8.475 8.399 0.076 18327 4875 1 18 . 1 1 58 58 GLY N N 58 109.400 109.400 108.822 0.578 18327 4876 1 18 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.526 0.094 18327 4877 1 18 . 1 1 58 58 GLY H H 58 9.073 9.073 8.397 0.676 18327 4878 1 18 . 1 1 59 59 ILE N N 59 113.900 113.900 119.987 -6.087 18327 4879 1 18 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.019 0.981 18327 4880 1 18 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.021 0.569 18327 4881 1 18 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.803 -1.663 18327 4882 1 18 . 1 1 59 59 ILE H H 59 8.628 8.628 8.058 0.570 18327 4883 1 18 . 1 1 60 60 PHE N N 60 116.900 116.900 117.243 -0.343 18327 4884 1 18 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.334 -0.214 18327 4885 1 18 . 1 1 60 60 PHE CA C 60 54.060 54.060 54.889 -0.829 18327 4886 1 18 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.843 -2.653 18327 4887 1 18 . 1 1 60 60 PHE H H 60 8.724 8.724 8.660 0.064 18327 4888 1 18 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.494 -0.014 18327 4889 1 18 . 1 1 61 61 PRO CA C 61 62.200 62.200 63.045 -0.845 18327 4890 1 18 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.547 -0.357 18327 4891 1 18 . 1 1 62 62 ALA N N 62 124.600 124.600 128.454 -3.854 18327 4892 1 18 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.391 -0.671 18327 4893 1 18 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.517 -0.148 18327 4894 1 18 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.229 -0.579 18327 4895 1 18 . 1 1 62 62 ALA H H 62 7.898 7.898 8.505 -0.607 18327 4896 1 18 . 1 1 63 63 SER N N 63 109.700 109.700 112.400 -2.700 18327 4897 1 18 . 1 1 63 63 SER HA H 63 4.200 4.200 4.080 0.120 18327 4898 1 18 . 1 1 63 63 SER CA C 63 59.400 59.400 60.729 -1.329 18327 4899 1 18 . 1 1 63 63 SER CB C 63 62.380 62.380 62.642 -0.262 18327 4900 1 18 . 1 1 63 63 SER H H 63 8.030 8.030 8.111 -0.081 18327 4901 1 18 . 1 1 64 64 TYR N N 64 120.300 120.300 117.449 2.851 18327 4902 1 18 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.452 -0.192 18327 4903 1 18 . 1 1 64 64 TYR CA C 64 57.720 57.720 58.867 -1.147 18327 4904 1 18 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.104 -0.544 18327 4905 1 18 . 1 1 64 64 TYR H H 64 7.124 7.124 7.132 -0.008 18327 4906 1 18 . 1 1 65 65 ILE N N 65 118.000 118.000 116.399 1.601 18327 4907 1 18 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.727 0.103 18327 4908 1 18 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.126 -2.146 18327 4909 1 18 . 1 1 65 65 ILE CB C 65 39.630 39.630 39.305 0.325 18327 4910 1 18 . 1 1 65 65 ILE H H 65 7.671 7.671 7.071 0.600 18327 4911 1 18 . 1 1 66 66 HIS N N 66 124.500 124.500 121.754 2.746 18327 4912 1 18 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.954 0.176 18327 4913 1 18 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.929 -1.869 18327 4914 1 18 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.243 -1.733 18327 4915 1 18 . 1 1 66 66 HIS H H 66 9.159 9.159 8.538 0.621 18327 4916 1 18 . 1 1 67 67 LEU N N 67 127.400 127.400 127.284 0.116 18327 4917 1 18 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.927 -0.367 18327 4918 1 18 . 1 1 67 67 LEU CA C 67 55.300 55.300 54.397 0.903 18327 4919 1 18 . 1 1 67 67 LEU CB C 67 42.060 42.060 43.972 -1.912 18327 4920 1 18 . 1 1 67 67 LEU H H 67 8.979 8.979 8.872 0.107 18327 4921 1 18 . 1 1 68 68 LYS N N 68 121.900 121.900 122.251 -0.351 18327 4922 1 18 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.438 0.052 18327 4923 1 18 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.868 -0.758 18327 4924 1 18 . 1 1 68 68 LYS CB C 68 34.610 34.610 32.723 1.887 18327 4925 1 18 . 1 1 68 68 LYS H H 68 8.499 8.499 8.800 -0.301 18327 4926 1 18 . 1 1 69 69 GLU N N 69 122.100 122.100 118.754 3.346 18327 4927 1 18 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.011 0.279 18327 4928 1 18 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.425 -0.815 18327 4929 1 18 . 1 1 69 69 GLU CB C 69 30.330 30.330 28.744 1.586 18327 4930 1 18 . 1 1 69 69 GLU H H 69 8.569 8.569 8.325 0.244 18327 4931 1 18 . 1 1 70 70 ALA N N 70 123.300 123.300 122.339 0.961 18327 4932 1 18 . 1 1 70 70 ALA HA H 70 4.210 4.210 3.967 0.243 18327 4933 1 18 . 1 1 70 70 ALA CA C 70 51.810 51.810 53.158 -1.349 18327 4934 1 18 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.033 0.667 18327 4935 1 18 . 1 1 70 70 ALA H H 70 8.181 8.181 7.866 0.315 18327 4936 1 18 . 1 1 71 71 ILE N N 71 120.000 120.000 120.485 -0.485 18327 4937 1 18 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.299 -0.229 18327 4938 1 18 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.262 0.068 18327 4939 1 18 . 1 1 71 71 ILE CB C 71 38.690 38.690 40.107 -1.417 18327 4940 1 18 . 1 1 71 71 ILE H H 71 7.789 7.789 8.467 -0.678 18327 4941 1 18 . 1 1 72 72 VAL N N 72 124.400 124.400 120.242 4.158 18327 4942 1 18 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.366 -0.296 18327 4943 1 18 . 1 1 72 72 VAL CA C 72 61.640 61.640 60.986 0.654 18327 4944 1 18 . 1 1 72 72 VAL CB C 72 32.690 32.690 34.001 -1.311 18327 4945 1 18 . 1 1 72 72 VAL H H 72 8.089 8.089 8.051 0.038 18327 4946 1 18 . 1 1 73 73 GLU N N 73 125.940 125.940 122.300 3.640 18327 4947 1 18 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.688 -0.388 18327 4948 1 18 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.786 0.824 18327 4949 1 18 . 1 1 73 73 GLU CB C 73 30.710 30.710 31.011 -0.301 18327 4950 1 18 . 1 1 73 73 GLU H H 73 8.464 8.464 8.555 -0.091 18327 4951 1 19 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.332 1.228 18327 4952 1 19 . 1 1 13 13 TYR CA C 13 55.860 55.860 57.869 -2.009 18327 4953 1 19 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.249 1.191 18327 4954 1 19 . 1 1 14 14 GLY N N 14 105.400 105.400 106.326 -0.926 18327 4955 1 19 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.736 1.504 18327 4956 1 19 . 1 1 14 14 GLY H H 14 8.406 8.406 8.391 0.015 18327 4957 1 19 . 1 1 15 15 VAL N N 15 118.900 118.900 121.422 -2.522 18327 4958 1 19 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.767 0.563 18327 4959 1 19 . 1 1 15 15 VAL CA C 15 59.210 59.210 61.136 -1.927 18327 4960 1 19 . 1 1 15 15 VAL CB C 15 35.740 35.740 36.564 -0.824 18327 4961 1 19 . 1 1 15 15 VAL H H 15 8.854 8.854 8.179 0.675 18327 4962 1 19 . 1 1 16 16 ALA N N 16 129.400 129.400 128.142 1.258 18327 4963 1 19 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.590 0.410 18327 4964 1 19 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.319 0.681 18327 4965 1 19 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.223 -0.893 18327 4966 1 19 . 1 1 16 16 ALA H H 16 9.112 9.112 8.915 0.197 18327 4967 1 19 . 1 1 17 17 PHE N N 17 123.900 123.900 123.876 0.024 18327 4968 1 19 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.529 0.211 18327 4969 1 19 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.014 -0.784 18327 4970 1 19 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.804 -0.804 18327 4971 1 19 . 1 1 17 17 PHE H H 17 8.785 8.785 8.115 0.670 18327 4972 1 19 . 1 1 18 18 TYR N N 18 118.100 118.100 118.271 -0.171 18327 4973 1 19 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.444 0.046 18327 4974 1 19 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.199 -1.899 18327 4975 1 19 . 1 1 18 18 TYR CB C 18 42.810 42.810 40.678 2.131 18327 4976 1 19 . 1 1 18 18 TYR H H 18 7.288 7.288 7.582 -0.294 18327 4977 1 19 . 1 1 19 19 ASN N N 19 116.800 116.800 120.810 -4.010 18327 4978 1 19 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.766 -0.056 18327 4979 1 19 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.347 -0.407 18327 4980 1 19 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.398 -0.338 18327 4981 1 19 . 1 1 19 19 ASN H H 19 8.122 8.122 8.652 -0.530 18327 4982 1 19 . 1 1 20 20 TYR N N 20 122.000 122.000 122.800 -0.800 18327 4983 1 19 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.552 0.158 18327 4984 1 19 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.099 -0.379 18327 4985 1 19 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.099 0.151 18327 4986 1 19 . 1 1 20 20 TYR H H 20 8.994 8.994 8.539 0.455 18327 4987 1 19 . 1 1 21 21 ASP N N 21 128.500 128.500 119.674 8.826 18327 4988 1 19 . 1 1 21 21 ASP HA H 21 4.790 4.790 5.042 -0.252 18327 4989 1 19 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.317 0.053 18327 4990 1 19 . 1 1 21 21 ASP CB C 21 41.130 41.130 44.047 -2.917 18327 4991 1 19 . 1 1 21 21 ASP H H 21 7.839 7.839 7.750 0.089 18327 4992 1 19 . 1 1 22 22 ALA N N 22 125.200 125.200 121.831 3.369 18327 4993 1 19 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.409 -0.359 18327 4994 1 19 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.793 0.147 18327 4995 1 19 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.787 0.663 18327 4996 1 19 . 1 1 22 22 ALA H H 22 8.107 8.107 8.405 -0.298 18327 4997 1 19 . 1 1 23 23 ARG N N 23 122.200 122.200 121.281 0.919 18327 4998 1 19 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.438 -0.088 18327 4999 1 19 . 1 1 23 23 ARG CA C 23 55.490 55.490 55.622 -0.132 18327 5000 1 19 . 1 1 23 23 ARG CB C 23 30.700 30.700 31.098 -0.397 18327 5001 1 19 . 1 1 23 23 ARG H H 23 8.889 8.889 8.586 0.303 18327 5002 1 19 . 1 1 24 24 GLY N N 24 105.200 105.200 107.815 -2.615 18327 5003 1 19 . 1 1 24 24 GLY CA C 24 44.500 44.500 45.334 -0.834 18327 5004 1 19 . 1 1 24 24 GLY H H 24 7.267 7.267 7.521 -0.254 18327 5005 1 19 . 1 1 25 25 ALA N N 25 122.200 122.200 122.732 -0.532 18327 5006 1 19 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.274 -0.114 18327 5007 1 19 . 1 1 25 25 ALA CA C 25 54.440 54.440 54.151 0.289 18327 5008 1 19 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.900 -0.130 18327 5009 1 19 . 1 1 25 25 ALA H H 25 8.621 8.621 8.545 0.076 18327 5010 1 19 . 1 1 26 26 ASP N N 26 114.700 114.700 119.250 -4.550 18327 5011 1 19 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.701 -0.001 18327 5012 1 19 . 1 1 26 26 ASP CA C 26 53.870 53.870 54.070 -0.200 18327 5013 1 19 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.276 0.114 18327 5014 1 19 . 1 1 26 26 ASP H H 26 8.949 8.949 8.564 0.385 18327 5015 1 19 . 1 1 27 27 GLU N N 27 118.800 118.800 119.336 -0.536 18327 5016 1 19 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.986 0.234 18327 5017 1 19 . 1 1 27 27 GLU CA C 27 54.930 54.930 55.071 -0.141 18327 5018 1 19 . 1 1 27 27 GLU CB C 27 32.880 32.880 31.678 1.202 18327 5019 1 19 . 1 1 27 27 GLU H H 27 7.542 7.542 7.550 -0.008 18327 5020 1 19 . 1 1 28 28 LEU N N 28 121.400 121.400 120.236 1.164 18327 5021 1 19 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.720 0.040 18327 5022 1 19 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.102 -0.982 18327 5023 1 19 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.690 -1.190 18327 5024 1 19 . 1 1 28 28 LEU H H 28 8.897 8.897 8.429 0.468 18327 5025 1 19 . 1 1 29 29 SER N N 29 115.700 115.700 116.111 -0.411 18327 5026 1 19 . 1 1 29 29 SER HA H 29 5.030 5.030 5.225 -0.195 18327 5027 1 19 . 1 1 29 29 SER CA C 29 58.470 58.470 58.760 -0.290 18327 5028 1 19 . 1 1 29 29 SER CB C 29 63.690 63.690 64.069 -0.379 18327 5029 1 19 . 1 1 29 29 SER H H 29 7.949 7.949 8.281 -0.332 18327 5030 1 19 . 1 1 30 30 LEU N N 30 121.300 121.300 120.124 1.176 18327 5031 1 19 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.551 0.249 18327 5032 1 19 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.539 -2.599 18327 5033 1 19 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.505 -0.135 18327 5034 1 19 . 1 1 30 30 LEU H H 30 9.503 9.503 8.565 0.938 18327 5035 1 19 . 1 1 31 31 GLN N N 31 123.100 123.100 120.688 2.412 18327 5036 1 19 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.549 0.521 18327 5037 1 19 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.126 -1.186 18327 5038 1 19 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.462 -1.272 18327 5039 1 19 . 1 1 31 31 GLN H H 31 9.152 9.152 8.249 0.903 18327 5040 1 19 . 1 1 32 32 ILE N N 32 120.800 120.800 121.340 -0.540 18327 5041 1 19 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.870 -0.840 18327 5042 1 19 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.400 1.850 18327 5043 1 19 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.462 0.478 18327 5044 1 19 . 1 1 32 32 ILE H H 32 8.019 8.019 8.459 -0.440 18327 5045 1 19 . 1 1 33 33 GLY N N 33 115.700 115.700 114.310 1.390 18327 5046 1 19 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.974 -0.474 18327 5047 1 19 . 1 1 33 33 GLY H H 33 8.777 8.777 8.534 0.243 18327 5048 1 19 . 1 1 34 34 ASP N N 34 122.300 122.300 121.739 0.561 18327 5049 1 19 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.896 -0.256 18327 5050 1 19 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.505 2.355 18327 5051 1 19 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.585 -1.275 18327 5052 1 19 . 1 1 34 34 ASP H H 34 8.690 8.690 7.546 1.144 18327 5053 1 19 . 1 1 35 35 THR N N 35 117.900 117.900 115.824 2.076 18327 5054 1 19 . 1 1 35 35 THR HA H 35 5.160 5.160 5.104 0.056 18327 5055 1 19 . 1 1 35 35 THR CA C 35 61.450 61.450 61.321 0.129 18327 5056 1 19 . 1 1 35 35 THR CB C 35 69.090 69.090 70.763 -1.673 18327 5057 1 19 . 1 1 35 35 THR H H 35 8.389 8.389 8.274 0.115 18327 5058 1 19 . 1 1 36 36 VAL N N 36 118.200 118.200 117.121 1.079 18327 5059 1 19 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.792 0.308 18327 5060 1 19 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.246 -2.336 18327 5061 1 19 . 1 1 36 36 VAL CB C 36 34.190 34.190 35.237 -1.047 18327 5062 1 19 . 1 1 36 36 VAL H H 36 9.019 9.019 8.959 0.060 18327 5063 1 19 . 1 1 37 37 HIS N N 37 122.100 122.100 119.574 2.526 18327 5064 1 19 . 1 1 37 37 HIS HA H 37 4.840 4.840 5.001 -0.161 18327 5065 1 19 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.310 -1.750 18327 5066 1 19 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.135 -1.875 18327 5067 1 19 . 1 1 37 37 HIS H H 37 8.489 8.489 8.769 -0.280 18327 5068 1 19 . 1 1 38 38 ILE N N 38 126.400 126.400 126.273 0.127 18327 5069 1 19 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.160 -0.380 18327 5070 1 19 . 1 1 38 38 ILE CA C 38 61.640 61.640 61.144 0.496 18327 5071 1 19 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.635 0.245 18327 5072 1 19 . 1 1 38 38 ILE H H 38 8.636 8.636 8.697 -0.061 18327 5073 1 19 . 1 1 39 39 LEU N N 39 126.000 126.000 126.699 -0.699 18327 5074 1 19 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.777 -0.377 18327 5075 1 19 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.353 0.137 18327 5076 1 19 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.678 0.072 18327 5077 1 19 . 1 1 39 39 LEU H H 39 9.162 9.162 8.634 0.528 18327 5078 1 19 . 1 1 40 40 GLU N N 40 115.100 115.100 116.967 -1.867 18327 5079 1 19 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.584 3.311 18327 5080 1 19 . 1 1 41 41 THR N N 41 116.400 116.400 113.344 3.056 18327 5081 1 19 . 1 1 41 41 THR HA H 41 4.270 4.270 4.756 -0.486 18327 5082 1 19 . 1 1 41 41 THR CA C 41 60.890 60.890 61.203 -0.313 18327 5083 1 19 . 1 1 41 41 THR CB C 41 69.650 69.650 69.625 0.025 18327 5084 1 19 . 1 1 41 41 THR H H 41 8.162 8.162 8.518 -0.356 18327 5085 1 19 . 1 1 43 43 GLU N N 43 123.300 123.300 121.319 1.981 18327 5086 1 19 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.461 -0.191 18327 5087 1 19 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.453 1.897 18327 5088 1 19 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.403 -2.613 18327 5089 1 19 . 1 1 43 43 GLU H H 43 8.108 8.108 8.362 -0.254 18327 5090 1 19 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.770 -0.330 18327 5091 1 19 . 1 1 45 45 TRP N N 45 124.100 124.100 120.062 4.038 18327 5092 1 19 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.789 -0.099 18327 5093 1 19 . 1 1 45 45 TRP H H 45 8.590 8.590 7.447 1.143 18327 5094 1 19 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.639 0.961 18327 5095 1 19 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.062 -3.002 18327 5096 1 19 . 1 1 46 46 TYR CB C 46 42.060 42.060 42.161 -0.101 18327 5097 1 19 . 1 1 47 47 ARG N N 47 118.100 118.100 121.738 -3.638 18327 5098 1 19 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.884 0.186 18327 5099 1 19 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.261 -0.201 18327 5100 1 19 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.803 -1.553 18327 5101 1 19 . 1 1 47 47 ARG H H 47 8.495 8.495 9.189 -0.694 18327 5102 1 19 . 1 1 48 48 GLY N N 48 114.000 114.000 113.673 0.327 18327 5103 1 19 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.493 0.067 18327 5104 1 19 . 1 1 48 48 GLY H H 48 9.183 9.183 8.916 0.267 18327 5105 1 19 . 1 1 49 49 TYR N N 49 116.200 116.200 116.020 0.180 18327 5106 1 19 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.102 0.278 18327 5107 1 19 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.995 -1.885 18327 5108 1 19 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.709 1.041 18327 5109 1 19 . 1 1 49 49 TYR H H 49 8.199 8.199 8.258 -0.059 18327 5110 1 19 . 1 1 50 50 THR N N 50 112.200 112.200 110.970 1.230 18327 5111 1 19 . 1 1 50 50 THR HA H 50 5.120 5.120 4.398 0.722 18327 5112 1 19 . 1 1 50 50 THR CA C 50 59.770 59.770 61.023 -1.254 18327 5113 1 19 . 1 1 50 50 THR CB C 50 69.460 69.460 70.088 -0.628 18327 5114 1 19 . 1 1 50 50 THR H H 50 9.436 9.436 8.401 1.035 18327 5115 1 19 . 1 1 51 51 LEU N N 51 121.300 121.300 120.183 1.117 18327 5116 1 19 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.404 -0.174 18327 5117 1 19 . 1 1 51 51 LEU CA C 51 56.790 56.790 56.489 0.301 18327 5118 1 19 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.044 -2.044 18327 5119 1 19 . 1 1 51 51 LEU H H 51 8.313 8.313 8.051 0.262 18327 5120 1 19 . 1 1 52 52 ARG N N 52 116.600 116.600 117.943 -1.343 18327 5121 1 19 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.163 0.087 18327 5122 1 19 . 1 1 52 52 ARG CA C 52 57.350 57.350 56.825 0.525 18327 5123 1 19 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.549 -0.039 18327 5124 1 19 . 1 1 52 52 ARG H H 52 8.053 8.053 8.255 -0.202 18327 5125 1 19 . 1 1 53 53 LYS N N 53 122.600 122.600 117.560 5.040 18327 5126 1 19 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.546 0.074 18327 5127 1 19 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.195 -0.575 18327 5128 1 19 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.487 -1.177 18327 5129 1 19 . 1 1 53 53 LYS H H 53 7.655 7.655 7.453 0.202 18327 5130 1 19 . 1 1 54 54 LYS N N 54 124.900 124.900 124.741 0.159 18327 5131 1 19 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.194 -0.104 18327 5132 1 19 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.213 0.257 18327 5133 1 19 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.512 -0.382 18327 5134 1 19 . 1 1 54 54 LYS H H 54 8.499 8.499 8.693 -0.194 18327 5135 1 19 . 1 1 55 55 SER N N 55 110.100 110.100 111.464 -1.364 18327 5136 1 19 . 1 1 55 55 SER HA H 55 4.140 4.140 4.304 -0.164 18327 5137 1 19 . 1 1 55 55 SER CA C 55 58.470 58.470 59.601 -1.131 18327 5138 1 19 . 1 1 55 55 SER CB C 55 63.310 63.310 62.854 0.456 18327 5139 1 19 . 1 1 55 55 SER H H 55 7.862 7.862 7.924 -0.062 18327 5140 1 19 . 1 1 56 56 LYS N N 56 124.000 124.000 122.607 1.393 18327 5141 1 19 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.500 0.200 18327 5142 1 19 . 1 1 56 56 LYS CA C 56 54.810 54.810 54.985 -0.175 18327 5143 1 19 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.470 0.780 18327 5144 1 19 . 1 1 56 56 LYS H H 56 7.481 7.481 7.464 0.017 18327 5145 1 19 . 1 1 57 57 LYS N N 57 125.700 125.700 122.017 3.683 18327 5146 1 19 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.473 0.857 18327 5147 1 19 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.945 -1.325 18327 5148 1 19 . 1 1 57 57 LYS CB C 57 34.240 34.240 33.929 0.311 18327 5149 1 19 . 1 1 57 57 LYS H H 57 8.475 8.475 8.079 0.396 18327 5150 1 19 . 1 1 58 58 GLY N N 58 109.400 109.400 106.731 2.669 18327 5151 1 19 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.342 0.278 18327 5152 1 19 . 1 1 58 58 GLY H H 58 9.073 9.073 8.311 0.762 18327 5153 1 19 . 1 1 59 59 ILE N N 59 113.900 113.900 116.456 -2.556 18327 5154 1 19 . 1 1 59 59 ILE HA H 59 6.000 6.000 4.952 1.048 18327 5155 1 19 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.431 0.159 18327 5156 1 19 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.080 -0.940 18327 5157 1 19 . 1 1 59 59 ILE H H 59 8.628 8.628 8.326 0.302 18327 5158 1 19 . 1 1 60 60 PHE N N 60 116.900 116.900 114.132 2.768 18327 5159 1 19 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.183 -0.063 18327 5160 1 19 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.218 -1.158 18327 5161 1 19 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.196 -3.006 18327 5162 1 19 . 1 1 60 60 PHE H H 60 8.724 8.724 8.455 0.269 18327 5163 1 19 . 1 1 61 61 PRO HA H 61 3.480 3.480 4.106 -0.626 18327 5164 1 19 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.174 0.026 18327 5165 1 19 . 1 1 61 61 PRO CB C 61 31.190 31.190 32.595 -1.405 18327 5166 1 19 . 1 1 62 62 ALA N N 62 124.600 124.600 127.561 -2.961 18327 5167 1 19 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.468 -0.748 18327 5168 1 19 . 1 1 62 62 ALA CA C 62 54.370 54.370 55.172 -0.802 18327 5169 1 19 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.087 -0.438 18327 5170 1 19 . 1 1 62 62 ALA H H 62 7.898 7.898 8.591 -0.693 18327 5171 1 19 . 1 1 63 63 SER N N 63 109.700 109.700 111.756 -2.056 18327 5172 1 19 . 1 1 63 63 SER HA H 63 4.200 4.200 4.230 -0.030 18327 5173 1 19 . 1 1 63 63 SER CA C 63 59.400 59.400 60.765 -1.365 18327 5174 1 19 . 1 1 63 63 SER CB C 63 62.380 62.380 62.848 -0.468 18327 5175 1 19 . 1 1 63 63 SER H H 63 8.030 8.030 8.298 -0.268 18327 5176 1 19 . 1 1 64 64 TYR N N 64 120.300 120.300 117.338 2.962 18327 5177 1 19 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.587 -0.327 18327 5178 1 19 . 1 1 64 64 TYR CA C 64 57.720 57.720 59.068 -1.348 18327 5179 1 19 . 1 1 64 64 TYR CB C 64 37.560 37.560 39.199 -1.639 18327 5180 1 19 . 1 1 64 64 TYR H H 64 7.124 7.124 7.262 -0.138 18327 5181 1 19 . 1 1 65 65 ILE N N 65 118.000 118.000 118.360 -0.360 18327 5182 1 19 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.634 0.196 18327 5183 1 19 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.858 -2.878 18327 5184 1 19 . 1 1 65 65 ILE CB C 65 39.630 39.630 38.034 1.596 18327 5185 1 19 . 1 1 65 65 ILE H H 65 7.671 7.671 7.461 0.210 18327 5186 1 19 . 1 1 66 66 HIS N N 66 124.500 124.500 124.707 -0.207 18327 5187 1 19 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.900 0.230 18327 5188 1 19 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.110 -1.050 18327 5189 1 19 . 1 1 66 66 HIS CB C 66 30.510 30.510 32.986 -2.476 18327 5190 1 19 . 1 1 66 66 HIS H H 66 9.159 9.159 9.104 0.055 18327 5191 1 19 . 1 1 67 67 LEU N N 67 127.400 127.400 124.538 2.862 18327 5192 1 19 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.929 -0.369 18327 5193 1 19 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.195 0.105 18327 5194 1 19 . 1 1 67 67 LEU CB C 67 42.060 42.060 43.095 -1.035 18327 5195 1 19 . 1 1 67 67 LEU H H 67 8.979 8.979 8.768 0.211 18327 5196 1 19 . 1 1 68 68 LYS N N 68 121.900 121.900 122.553 -0.653 18327 5197 1 19 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.466 0.024 18327 5198 1 19 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.694 -0.584 18327 5199 1 19 . 1 1 68 68 LYS CB C 68 34.610 34.610 35.126 -0.516 18327 5200 1 19 . 1 1 68 68 LYS H H 68 8.499 8.499 8.691 -0.192 18327 5201 1 19 . 1 1 69 69 GLU N N 69 122.100 122.100 125.160 -3.060 18327 5202 1 19 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.234 0.056 18327 5203 1 19 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.393 -0.783 18327 5204 1 19 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.217 1.113 18327 5205 1 19 . 1 1 69 69 GLU H H 69 8.569 8.569 8.710 -0.141 18327 5206 1 19 . 1 1 70 70 ALA N N 70 123.300 123.300 127.399 -4.099 18327 5207 1 19 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.161 0.049 18327 5208 1 19 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.727 -0.917 18327 5209 1 19 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.462 1.238 18327 5210 1 19 . 1 1 70 70 ALA H H 70 8.181 8.181 8.417 -0.236 18327 5211 1 19 . 1 1 71 71 ILE N N 71 120.000 120.000 121.715 -1.715 18327 5212 1 19 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.078 -0.008 18327 5213 1 19 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.875 -0.545 18327 5214 1 19 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.001 -0.311 18327 5215 1 19 . 1 1 71 71 ILE H H 71 7.789 7.789 8.050 -0.261 18327 5216 1 19 . 1 1 72 72 VAL N N 72 124.400 124.400 120.659 3.741 18327 5217 1 19 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.068 0.002 18327 5218 1 19 . 1 1 72 72 VAL CA C 72 61.640 61.640 62.934 -1.294 18327 5219 1 19 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.414 0.276 18327 5220 1 19 . 1 1 72 72 VAL H H 72 8.089 8.089 8.286 -0.197 18327 5221 1 19 . 1 1 73 73 GLU N N 73 125.940 125.940 122.955 2.985 18327 5222 1 19 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.432 -0.132 18327 5223 1 19 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.843 0.767 18327 5224 1 19 . 1 1 73 73 GLU CB C 73 30.710 30.710 29.354 1.356 18327 5225 1 19 . 1 1 73 73 GLU H H 73 8.464 8.464 8.672 -0.208 18327 5226 1 20 . 1 1 13 13 TYR HA H 13 5.560 5.560 4.636 0.924 18327 5227 1 20 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.445 -0.585 18327 5228 1 20 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.322 1.118 18327 5229 1 20 . 1 1 14 14 GLY N N 14 105.400 105.400 106.883 -1.483 18327 5230 1 20 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.390 1.850 18327 5231 1 20 . 1 1 14 14 GLY H H 14 8.406 8.406 8.627 -0.221 18327 5232 1 20 . 1 1 15 15 VAL N N 15 118.900 118.900 121.424 -2.524 18327 5233 1 20 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.824 0.506 18327 5234 1 20 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.412 -1.202 18327 5235 1 20 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.754 -0.014 18327 5236 1 20 . 1 1 15 15 VAL H H 15 8.854 8.854 8.564 0.290 18327 5237 1 20 . 1 1 16 16 ALA N N 16 129.400 129.400 127.900 1.500 18327 5238 1 20 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.965 0.035 18327 5239 1 20 . 1 1 16 16 ALA CA C 16 52.000 52.000 50.644 1.356 18327 5240 1 20 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.403 -1.073 18327 5241 1 20 . 1 1 16 16 ALA H H 16 9.112 9.112 9.033 0.079 18327 5242 1 20 . 1 1 17 17 PHE N N 17 123.900 123.900 124.986 -1.086 18327 5243 1 20 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.681 0.059 18327 5244 1 20 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.553 -1.323 18327 5245 1 20 . 1 1 17 17 PHE CB C 17 40.000 40.000 39.442 0.558 18327 5246 1 20 . 1 1 17 17 PHE H H 17 8.785 8.785 8.541 0.244 18327 5247 1 20 . 1 1 18 18 TYR N N 18 118.100 118.100 117.655 0.445 18327 5248 1 20 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.447 0.043 18327 5249 1 20 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.029 -1.729 18327 5250 1 20 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.516 1.294 18327 5251 1 20 . 1 1 18 18 TYR H H 18 7.288 7.288 7.527 -0.239 18327 5252 1 20 . 1 1 19 19 ASN N N 19 116.800 116.800 120.883 -4.083 18327 5253 1 20 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.952 -0.242 18327 5254 1 20 . 1 1 19 19 ASN CA C 19 52.940 52.940 54.086 -1.146 18327 5255 1 20 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.671 -0.611 18327 5256 1 20 . 1 1 19 19 ASN H H 19 8.122 8.122 8.878 -0.756 18327 5257 1 20 . 1 1 20 20 TYR N N 20 122.000 122.000 123.457 -1.457 18327 5258 1 20 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.690 0.020 18327 5259 1 20 . 1 1 20 20 TYR CA C 20 57.720 57.720 58.119 -0.399 18327 5260 1 20 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.689 -0.439 18327 5261 1 20 . 1 1 20 20 TYR H H 20 8.994 8.994 8.550 0.444 18327 5262 1 20 . 1 1 21 21 ASP N N 21 128.500 128.500 121.608 6.892 18327 5263 1 20 . 1 1 21 21 ASP HA H 21 4.790 4.790 5.192 -0.402 18327 5264 1 20 . 1 1 21 21 ASP CA C 21 52.370 52.370 51.869 0.501 18327 5265 1 20 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.594 -2.464 18327 5266 1 20 . 1 1 21 21 ASP H H 21 7.839 7.839 7.735 0.104 18327 5267 1 20 . 1 1 22 22 ALA N N 22 125.200 125.200 124.347 0.853 18327 5268 1 20 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.482 -0.432 18327 5269 1 20 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.404 0.536 18327 5270 1 20 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.864 0.586 18327 5271 1 20 . 1 1 22 22 ALA H H 22 8.107 8.107 8.125 -0.018 18327 5272 1 20 . 1 1 23 23 ARG N N 23 122.200 122.200 120.509 1.691 18327 5273 1 20 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.287 0.063 18327 5274 1 20 . 1 1 23 23 ARG CA C 23 55.490 55.490 57.053 -1.562 18327 5275 1 20 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.883 -0.183 18327 5276 1 20 . 1 1 23 23 ARG H H 23 8.889 8.889 8.749 0.140 18327 5277 1 20 . 1 1 24 24 GLY N N 24 105.200 105.200 104.853 0.347 18327 5278 1 20 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.883 -0.383 18327 5279 1 20 . 1 1 24 24 GLY H H 24 7.267 7.267 7.542 -0.275 18327 5280 1 20 . 1 1 25 25 ALA N N 25 122.200 122.200 121.115 1.085 18327 5281 1 20 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.225 -0.065 18327 5282 1 20 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.927 0.513 18327 5283 1 20 . 1 1 25 25 ALA CB C 25 18.770 18.770 18.865 -0.095 18327 5284 1 20 . 1 1 25 25 ALA H H 25 8.621 8.621 8.243 0.378 18327 5285 1 20 . 1 1 26 26 ASP N N 26 114.700 114.700 117.941 -3.241 18327 5286 1 20 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.840 -0.140 18327 5287 1 20 . 1 1 26 26 ASP CA C 26 53.870 53.870 54.047 -0.177 18327 5288 1 20 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.859 -0.469 18327 5289 1 20 . 1 1 26 26 ASP H H 26 8.949 8.949 8.334 0.615 18327 5290 1 20 . 1 1 27 27 GLU N N 27 118.800 118.800 117.578 1.222 18327 5291 1 20 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.916 0.304 18327 5292 1 20 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.575 0.354 18327 5293 1 20 . 1 1 27 27 GLU CB C 27 32.880 32.880 33.155 -0.275 18327 5294 1 20 . 1 1 27 27 GLU H H 27 7.542 7.542 7.610 -0.068 18327 5295 1 20 . 1 1 28 28 LEU N N 28 121.400 121.400 120.571 0.829 18327 5296 1 20 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.796 -0.036 18327 5297 1 20 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.483 -1.363 18327 5298 1 20 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.629 -1.129 18327 5299 1 20 . 1 1 28 28 LEU H H 28 8.897 8.897 8.208 0.689 18327 5300 1 20 . 1 1 29 29 SER N N 29 115.700 115.700 118.412 -2.712 18327 5301 1 20 . 1 1 29 29 SER HA H 29 5.030 5.030 5.073 -0.043 18327 5302 1 20 . 1 1 29 29 SER CA C 29 58.470 58.470 59.116 -0.646 18327 5303 1 20 . 1 1 29 29 SER CB C 29 63.690 63.690 64.016 -0.326 18327 5304 1 20 . 1 1 29 29 SER H H 29 7.949 7.949 8.472 -0.523 18327 5305 1 20 . 1 1 30 30 LEU N N 30 121.300 121.300 119.136 2.164 18327 5306 1 20 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.774 0.026 18327 5307 1 20 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.002 -2.062 18327 5308 1 20 . 1 1 30 30 LEU CB C 30 46.370 46.370 45.733 0.637 18327 5309 1 20 . 1 1 30 30 LEU H H 30 9.503 9.503 8.584 0.919 18327 5310 1 20 . 1 1 31 31 GLN N N 31 123.100 123.100 121.343 1.757 18327 5311 1 20 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.769 0.301 18327 5312 1 20 . 1 1 31 31 GLN CA C 31 52.940 52.940 53.965 -1.025 18327 5313 1 20 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.549 -1.359 18327 5314 1 20 . 1 1 31 31 GLN H H 31 9.152 9.152 8.621 0.531 18327 5315 1 20 . 1 1 32 32 ILE N N 32 120.800 120.800 121.154 -0.354 18327 5316 1 20 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.992 -0.962 18327 5317 1 20 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.130 2.120 18327 5318 1 20 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.701 0.239 18327 5319 1 20 . 1 1 32 32 ILE H H 32 8.019 8.019 8.611 -0.592 18327 5320 1 20 . 1 1 33 33 GLY N N 33 115.700 115.700 114.404 1.296 18327 5321 1 20 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.851 -0.351 18327 5322 1 20 . 1 1 33 33 GLY H H 33 8.777 8.777 8.890 -0.113 18327 5323 1 20 . 1 1 34 34 ASP N N 34 122.300 122.300 121.259 1.041 18327 5324 1 20 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.811 -0.171 18327 5325 1 20 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.939 1.921 18327 5326 1 20 . 1 1 34 34 ASP CB C 34 41.310 41.310 43.390 -2.080 18327 5327 1 20 . 1 1 34 34 ASP H H 34 8.690 8.690 7.505 1.185 18327 5328 1 20 . 1 1 35 35 THR N N 35 117.900 117.900 114.964 2.936 18327 5329 1 20 . 1 1 35 35 THR HA H 35 5.160 5.160 5.421 -0.261 18327 5330 1 20 . 1 1 35 35 THR CA C 35 61.450 61.450 61.182 0.268 18327 5331 1 20 . 1 1 35 35 THR CB C 35 69.090 69.090 71.564 -2.474 18327 5332 1 20 . 1 1 35 35 THR H H 35 8.389 8.389 8.347 0.042 18327 5333 1 20 . 1 1 36 36 VAL N N 36 118.200 118.200 116.235 1.965 18327 5334 1 20 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.422 0.678 18327 5335 1 20 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.304 -2.394 18327 5336 1 20 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.853 -0.663 18327 5337 1 20 . 1 1 36 36 VAL H H 36 9.019 9.019 9.025 -0.006 18327 5338 1 20 . 1 1 37 37 HIS N N 37 122.100 122.100 119.480 2.620 18327 5339 1 20 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.955 -0.115 18327 5340 1 20 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.278 -1.718 18327 5341 1 20 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.667 -2.407 18327 5342 1 20 . 1 1 37 37 HIS H H 37 8.489 8.489 8.676 -0.187 18327 5343 1 20 . 1 1 38 38 ILE N N 38 126.400 126.400 123.946 2.454 18327 5344 1 20 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.155 -0.375 18327 5345 1 20 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.745 0.895 18327 5346 1 20 . 1 1 38 38 ILE CB C 38 38.880 38.880 39.324 -0.444 18327 5347 1 20 . 1 1 38 38 ILE H H 38 8.636 8.636 8.156 0.480 18327 5348 1 20 . 1 1 39 39 LEU N N 39 126.000 126.000 125.957 0.043 18327 5349 1 20 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.799 -0.399 18327 5350 1 20 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.332 0.158 18327 5351 1 20 . 1 1 39 39 LEU CB C 39 43.750 43.750 43.685 0.065 18327 5352 1 20 . 1 1 39 39 LEU H H 39 9.162 9.162 8.703 0.459 18327 5353 1 20 . 1 1 40 40 GLU N N 40 115.100 115.100 117.348 -2.248 18327 5354 1 20 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.733 3.162 18327 5355 1 20 . 1 1 41 41 THR N N 41 116.400 116.400 112.756 3.644 18327 5356 1 20 . 1 1 41 41 THR HA H 41 4.270 4.270 5.087 -0.817 18327 5357 1 20 . 1 1 41 41 THR CA C 41 60.890 60.890 60.702 0.188 18327 5358 1 20 . 1 1 41 41 THR CB C 41 69.650 69.650 70.849 -1.199 18327 5359 1 20 . 1 1 41 41 THR H H 41 8.162 8.162 8.513 -0.351 18327 5360 1 20 . 1 1 43 43 GLU N N 43 123.300 123.300 122.785 0.515 18327 5361 1 20 . 1 1 43 43 GLU HA H 43 4.270 4.270 3.910 0.360 18327 5362 1 20 . 1 1 43 43 GLU CA C 43 57.350 57.350 56.951 0.399 18327 5363 1 20 . 1 1 43 43 GLU CB C 43 26.790 26.790 28.731 -1.941 18327 5364 1 20 . 1 1 43 43 GLU H H 43 8.108 8.108 9.034 -0.926 18327 5365 1 20 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.186 0.254 18327 5366 1 20 . 1 1 45 45 TRP N N 45 124.100 124.100 118.854 5.246 18327 5367 1 20 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.639 0.051 18327 5368 1 20 . 1 1 45 45 TRP H H 45 8.590 8.590 7.411 1.179 18327 5369 1 20 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.682 0.918 18327 5370 1 20 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.194 -3.134 18327 5371 1 20 . 1 1 46 46 TYR CB C 46 42.060 42.060 40.129 1.931 18327 5372 1 20 . 1 1 47 47 ARG N N 47 118.100 118.100 122.482 -4.382 18327 5373 1 20 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.590 0.480 18327 5374 1 20 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.448 -0.388 18327 5375 1 20 . 1 1 47 47 ARG CB C 47 33.250 33.250 33.838 -0.588 18327 5376 1 20 . 1 1 47 47 ARG H H 47 8.495 8.495 8.831 -0.336 18327 5377 1 20 . 1 1 48 48 GLY N N 48 114.000 114.000 114.301 -0.301 18327 5378 1 20 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.612 -0.052 18327 5379 1 20 . 1 1 48 48 GLY H H 48 9.183 9.183 9.100 0.083 18327 5380 1 20 . 1 1 49 49 TYR N N 49 116.200 116.200 116.508 -0.308 18327 5381 1 20 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.067 0.313 18327 5382 1 20 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.864 -1.754 18327 5383 1 20 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.707 1.043 18327 5384 1 20 . 1 1 49 49 TYR H H 49 8.199 8.199 8.365 -0.166 18327 5385 1 20 . 1 1 50 50 THR N N 50 112.200 112.200 111.363 0.837 18327 5386 1 20 . 1 1 50 50 THR HA H 50 5.120 5.120 4.298 0.822 18327 5387 1 20 . 1 1 50 50 THR CA C 50 59.770 59.770 61.410 -1.641 18327 5388 1 20 . 1 1 50 50 THR CB C 50 69.460 69.460 70.221 -0.761 18327 5389 1 20 . 1 1 50 50 THR H H 50 9.436 9.436 8.268 1.168 18327 5390 1 20 . 1 1 51 51 LEU N N 51 121.300 121.300 120.743 0.557 18327 5391 1 20 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.274 -0.044 18327 5392 1 20 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.950 0.841 18327 5393 1 20 . 1 1 51 51 LEU CB C 51 40.000 40.000 42.009 -2.009 18327 5394 1 20 . 1 1 51 51 LEU H H 51 8.313 8.313 8.174 0.139 18327 5395 1 20 . 1 1 52 52 ARG N N 52 116.600 116.600 118.799 -2.199 18327 5396 1 20 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.010 0.240 18327 5397 1 20 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.877 -0.527 18327 5398 1 20 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.430 0.080 18327 5399 1 20 . 1 1 52 52 ARG H H 52 8.053 8.053 7.571 0.482 18327 5400 1 20 . 1 1 53 53 LYS N N 53 122.600 122.600 116.000 6.600 18327 5401 1 20 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.493 0.127 18327 5402 1 20 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.746 -1.126 18327 5403 1 20 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.691 -1.381 18327 5404 1 20 . 1 1 53 53 LYS H H 53 7.655 7.655 7.795 -0.140 18327 5405 1 20 . 1 1 54 54 LYS N N 54 124.900 124.900 125.365 -0.465 18327 5406 1 20 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.307 -0.217 18327 5407 1 20 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.467 0.003 18327 5408 1 20 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.388 -0.258 18327 5409 1 20 . 1 1 54 54 LYS H H 54 8.499 8.499 8.749 -0.250 18327 5410 1 20 . 1 1 55 55 SER N N 55 110.100 110.100 114.333 -4.233 18327 5411 1 20 . 1 1 55 55 SER HA H 55 4.140 4.140 4.299 -0.159 18327 5412 1 20 . 1 1 55 55 SER CA C 55 58.470 58.470 60.070 -1.600 18327 5413 1 20 . 1 1 55 55 SER CB C 55 63.310 63.310 63.407 -0.097 18327 5414 1 20 . 1 1 55 55 SER H H 55 7.862 7.862 8.029 -0.167 18327 5415 1 20 . 1 1 56 56 LYS N N 56 124.000 124.000 121.330 2.670 18327 5416 1 20 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.313 0.387 18327 5417 1 20 . 1 1 56 56 LYS CA C 56 54.810 54.810 56.074 -1.264 18327 5418 1 20 . 1 1 56 56 LYS CB C 56 33.250 33.250 31.195 2.055 18327 5419 1 20 . 1 1 56 56 LYS H H 56 7.481 7.481 8.247 -0.766 18327 5420 1 20 . 1 1 57 57 LYS N N 57 125.700 125.700 122.213 3.487 18327 5421 1 20 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.617 0.713 18327 5422 1 20 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.126 -0.506 18327 5423 1 20 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.254 -1.014 18327 5424 1 20 . 1 1 57 57 LYS H H 57 8.475 8.475 7.797 0.678 18327 5425 1 20 . 1 1 58 58 GLY N N 58 109.400 109.400 106.672 2.728 18327 5426 1 20 . 1 1 58 58 GLY CA C 58 45.620 45.620 44.882 0.738 18327 5427 1 20 . 1 1 58 58 GLY H H 58 9.073 9.073 8.834 0.239 18327 5428 1 20 . 1 1 59 59 ILE N N 59 113.900 113.900 117.648 -3.748 18327 5429 1 20 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.279 0.721 18327 5430 1 20 . 1 1 59 59 ILE CA C 59 59.590 59.590 58.948 0.642 18327 5431 1 20 . 1 1 59 59 ILE CB C 59 41.140 41.140 41.756 -0.616 18327 5432 1 20 . 1 1 59 59 ILE H H 59 8.628 8.628 8.329 0.299 18327 5433 1 20 . 1 1 60 60 PHE N N 60 116.900 116.900 115.561 1.339 18327 5434 1 20 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.145 -0.025 18327 5435 1 20 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.002 -0.942 18327 5436 1 20 . 1 1 60 60 PHE CB C 60 37.190 37.190 40.126 -2.936 18327 5437 1 20 . 1 1 60 60 PHE H H 60 8.724 8.724 8.755 -0.031 18327 5438 1 20 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.344 0.136 18327 5439 1 20 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.380 -0.180 18327 5440 1 20 . 1 1 61 61 PRO CB C 61 31.190 31.190 30.843 0.347 18327 5441 1 20 . 1 1 62 62 ALA N N 62 124.600 124.600 127.827 -3.227 18327 5442 1 20 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.351 -0.631 18327 5443 1 20 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.756 -0.386 18327 5444 1 20 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.532 -0.882 18327 5445 1 20 . 1 1 62 62 ALA H H 62 7.898 7.898 8.692 -0.794 18327 5446 1 20 . 1 1 63 63 SER N N 63 109.700 109.700 113.069 -3.369 18327 5447 1 20 . 1 1 63 63 SER HA H 63 4.200 4.200 4.346 -0.146 18327 5448 1 20 . 1 1 63 63 SER CA C 63 59.400 59.400 60.979 -1.579 18327 5449 1 20 . 1 1 63 63 SER CB C 63 62.380 62.380 62.992 -0.612 18327 5450 1 20 . 1 1 63 63 SER H H 63 8.030 8.030 8.415 -0.385 18327 5451 1 20 . 1 1 64 64 TYR N N 64 120.300 120.300 118.903 1.397 18327 5452 1 20 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.721 -0.461 18327 5453 1 20 . 1 1 64 64 TYR CA C 64 57.720 57.720 56.751 0.969 18327 5454 1 20 . 1 1 64 64 TYR CB C 64 37.560 37.560 37.767 -0.207 18327 5455 1 20 . 1 1 64 64 TYR H H 64 7.124 7.124 7.403 -0.279 18327 5456 1 20 . 1 1 65 65 ILE N N 65 118.000 118.000 117.453 0.547 18327 5457 1 20 . 1 1 65 65 ILE HA H 65 4.830 4.830 5.113 -0.283 18327 5458 1 20 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.115 -2.135 18327 5459 1 20 . 1 1 65 65 ILE CB C 65 39.630 39.630 42.537 -2.907 18327 5460 1 20 . 1 1 65 65 ILE H H 65 7.671 7.671 7.648 0.023 18327 5461 1 20 . 1 1 66 66 HIS N N 66 124.500 124.500 122.222 2.278 18327 5462 1 20 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.855 0.275 18327 5463 1 20 . 1 1 66 66 HIS CA C 66 53.060 53.060 55.012 -1.952 18327 5464 1 20 . 1 1 66 66 HIS CB C 66 30.510 30.510 34.087 -3.577 18327 5465 1 20 . 1 1 66 66 HIS H H 66 9.159 9.159 8.942 0.217 18327 5466 1 20 . 1 1 67 67 LEU N N 67 127.400 127.400 127.112 0.288 18327 5467 1 20 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.480 0.080 18327 5468 1 20 . 1 1 67 67 LEU CA C 67 55.300 55.300 56.118 -0.818 18327 5469 1 20 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.604 -0.544 18327 5470 1 20 . 1 1 67 67 LEU H H 67 8.979 8.979 8.703 0.276 18327 5471 1 20 . 1 1 68 68 LYS N N 68 121.900 121.900 123.180 -1.280 18327 5472 1 20 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.595 -0.105 18327 5473 1 20 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.446 -0.336 18327 5474 1 20 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.126 1.484 18327 5475 1 20 . 1 1 68 68 LYS H H 68 8.499 8.499 8.860 -0.361 18327 5476 1 20 . 1 1 69 69 GLU N N 69 122.100 122.100 117.658 4.442 18327 5477 1 20 . 1 1 69 69 GLU HA H 69 4.290 4.290 3.931 0.359 18327 5478 1 20 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.181 -0.570 18327 5479 1 20 . 1 1 69 69 GLU CB C 69 30.330 30.330 30.216 0.114 18327 5480 1 20 . 1 1 69 69 GLU H H 69 8.569 8.569 8.223 0.346 18327 5481 1 20 . 1 1 70 70 ALA N N 70 123.300 123.300 123.092 0.208 18327 5482 1 20 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.397 -0.187 18327 5483 1 20 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.282 -0.472 18327 5484 1 20 . 1 1 70 70 ALA CB C 70 19.700 19.700 19.167 0.533 18327 5485 1 20 . 1 1 70 70 ALA H H 70 8.181 8.181 8.358 -0.177 18327 5486 1 20 . 1 1 71 71 ILE N N 71 120.000 120.000 123.635 -3.635 18327 5487 1 20 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.176 -0.106 18327 5488 1 20 . 1 1 71 71 ILE CA C 71 60.330 60.330 60.927 -0.597 18327 5489 1 20 . 1 1 71 71 ILE CB C 71 38.690 38.690 39.350 -0.660 18327 5490 1 20 . 1 1 71 71 ILE H H 71 7.789 7.789 8.552 -0.763 18327 5491 1 20 . 1 1 72 72 VAL N N 72 124.400 124.400 120.618 3.782 18327 5492 1 20 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.419 -0.349 18327 5493 1 20 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.065 0.576 18327 5494 1 20 . 1 1 72 72 VAL CB C 72 32.690 32.690 34.399 -1.709 18327 5495 1 20 . 1 1 72 72 VAL H H 72 8.089 8.089 8.156 -0.067 18327 5496 1 20 . 1 1 73 73 GLU N N 73 125.940 125.940 122.226 3.714 18327 5497 1 20 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.699 -0.399 18327 5498 1 20 . 1 1 73 73 GLU CA C 73 56.610 56.610 56.611 -0.001 18327 5499 1 20 . 1 1 73 73 GLU CB C 73 30.710 30.710 31.065 -0.355 18327 5500 1 20 . 1 1 73 73 GLU H H 73 8.464 8.464 8.762 -0.298 18327 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 56 3.011 -0.708 2.953 18327 2 1 1 "Average Difference" HA 54 0.601 -0.120 0.595 18327 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18327 4 1 1 "Average Difference" CA 58 1.225 0.387 1.172 18327 5 1 1 "Average Difference" CB 52 1.319 0.525 1.222 18327 6 1 1 "Average Difference" HN 55 0.449 -0.149 0.427 18327 7 1 2 "Average Difference" N 56 2.587 -0.262 2.597 18327 8 1 2 "Average Difference" HA 54 0.598 -0.093 0.597 18327 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18327 10 1 2 "Average Difference" CA 58 1.277 0.314 1.249 18327 11 1 2 "Average Difference" CB 52 1.279 0.568 1.158 18327 12 1 2 "Average Difference" HN 55 0.442 -0.076 0.439 18327 13 1 3 "Average Difference" N 56 2.717 -0.385 2.713 18327 14 1 3 "Average Difference" HA 54 0.578 -0.072 0.579 18327 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18327 16 1 3 "Average Difference" CA 58 1.150 0.284 1.124 18327 17 1 3 "Average Difference" CB 52 1.313 0.525 1.216 18327 18 1 3 "Average Difference" HN 55 0.429 -0.068 0.427 18327 19 1 4 "Average Difference" N 56 3.024 -0.215 3.044 18327 20 1 4 "Average Difference" HA 54 0.555 -0.118 0.548 18327 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18327 22 1 4 "Average Difference" CA 58 1.198 0.431 1.128 18327 23 1 4 "Average Difference" CB 52 1.275 0.391 1.225 18327 24 1 4 "Average Difference" HN 55 0.444 -0.051 0.446 18327 25 1 5 "Average Difference" N 56 2.656 -0.421 2.646 18327 26 1 5 "Average Difference" HA 54 0.566 -0.063 0.567 18327 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18327 28 1 5 "Average Difference" CA 58 1.156 0.355 1.110 18327 29 1 5 "Average Difference" CB 52 1.191 0.618 1.028 18327 30 1 5 "Average Difference" HN 55 0.445 -0.035 0.447 18327 31 1 6 "Average Difference" N 56 2.761 -0.528 2.735 18327 32 1 6 "Average Difference" HA 54 0.588 -0.103 0.584 18327 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18327 34 1 6 "Average Difference" CA 58 1.145 0.483 1.047 18327 35 1 6 "Average Difference" CB 52 1.166 0.453 1.084 18327 36 1 6 "Average Difference" HN 55 0.479 -0.055 0.481 18327 37 1 7 "Average Difference" N 56 2.732 -0.745 2.653 18327 38 1 7 "Average Difference" HA 54 0.584 -0.109 0.579 18327 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18327 40 1 7 "Average Difference" CA 58 1.098 0.369 1.043 18327 41 1 7 "Average Difference" CB 52 1.161 0.375 1.110 18327 42 1 7 "Average Difference" HN 55 0.464 -0.086 0.460 18327 43 1 8 "Average Difference" N 56 2.834 -0.504 2.814 18327 44 1 8 "Average Difference" HA 54 0.600 -0.139 0.589 18327 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18327 46 1 8 "Average Difference" CA 58 1.212 0.417 1.148 18327 47 1 8 "Average Difference" CB 52 1.060 0.349 1.011 18327 48 1 8 "Average Difference" HN 55 0.512 -0.092 0.508 18327 49 1 9 "Average Difference" N 56 2.480 -0.370 2.474 18327 50 1 9 "Average Difference" HA 54 0.598 -0.093 0.596 18327 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18327 52 1 9 "Average Difference" CA 58 1.265 0.364 1.222 18327 53 1 9 "Average Difference" CB 52 1.264 0.464 1.188 18327 54 1 9 "Average Difference" HN 55 0.457 -0.084 0.453 18327 55 1 10 "Average Difference" N 56 2.881 -0.257 2.895 18327 56 1 10 "Average Difference" HA 54 0.592 -0.119 0.586 18327 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18327 58 1 10 "Average Difference" CA 58 1.199 0.521 1.089 18327 59 1 10 "Average Difference" CB 52 1.081 0.339 1.037 18327 60 1 10 "Average Difference" HN 55 0.437 -0.060 0.437 18327 61 1 11 "Average Difference" N 56 2.771 -0.487 2.752 18327 62 1 11 "Average Difference" HA 54 0.582 -0.124 0.574 18327 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18327 64 1 11 "Average Difference" CA 58 1.308 0.521 1.211 18327 65 1 11 "Average Difference" CB 52 1.183 0.415 1.118 18327 66 1 11 "Average Difference" HN 55 0.463 -0.143 0.444 18327 67 1 12 "Average Difference" N 56 2.723 -0.260 2.735 18327 68 1 12 "Average Difference" HA 54 0.579 -0.138 0.567 18327 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18327 70 1 12 "Average Difference" CA 58 1.219 0.509 1.118 18327 71 1 12 "Average Difference" CB 52 1.235 0.344 1.198 18327 72 1 12 "Average Difference" HN 55 0.449 -0.110 0.439 18327 73 1 13 "Average Difference" N 56 2.774 -0.366 2.775 18327 74 1 13 "Average Difference" HA 54 0.600 -0.085 0.600 18327 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18327 76 1 13 "Average Difference" CA 58 1.200 0.271 1.179 18327 77 1 13 "Average Difference" CB 52 1.391 0.565 1.284 18327 78 1 13 "Average Difference" HN 55 0.458 -0.074 0.456 18327 79 1 14 "Average Difference" N 56 2.581 -0.337 2.582 18327 80 1 14 "Average Difference" HA 54 0.607 -0.143 0.595 18327 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18327 82 1 14 "Average Difference" CA 58 1.273 0.474 1.192 18327 83 1 14 "Average Difference" CB 52 1.160 0.391 1.102 18327 84 1 14 "Average Difference" HN 55 0.432 -0.111 0.422 18327 85 1 15 "Average Difference" N 56 2.747 -0.165 2.767 18327 86 1 15 "Average Difference" HA 54 0.608 -0.115 0.602 18327 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18327 88 1 15 "Average Difference" CA 58 1.317 0.483 1.236 18327 89 1 15 "Average Difference" CB 52 1.186 0.436 1.113 18327 90 1 15 "Average Difference" HN 55 0.493 -0.057 0.494 18327 91 1 16 "Average Difference" N 56 2.730 -0.210 2.747 18327 92 1 16 "Average Difference" HA 54 0.587 -0.112 0.581 18327 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18327 94 1 16 "Average Difference" CA 58 1.107 0.383 1.047 18327 95 1 16 "Average Difference" CB 52 1.339 0.410 1.287 18327 96 1 16 "Average Difference" HN 55 0.472 -0.067 0.471 18327 97 1 17 "Average Difference" N 56 2.532 -0.472 2.510 18327 98 1 17 "Average Difference" HA 54 0.591 -0.088 0.590 18327 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18327 100 1 17 "Average Difference" CA 58 1.206 0.305 1.177 18327 101 1 17 "Average Difference" CB 52 1.291 0.478 1.211 18327 102 1 17 "Average Difference" HN 55 0.411 -0.080 0.407 18327 103 1 18 "Average Difference" N 56 2.871 -0.598 2.833 18327 104 1 18 "Average Difference" HA 54 0.577 -0.102 0.573 18327 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18327 106 1 18 "Average Difference" CA 58 1.290 0.286 1.269 18327 107 1 18 "Average Difference" CB 52 1.307 0.565 1.190 18327 108 1 18 "Average Difference" HN 55 0.471 -0.109 0.463 18327 109 1 19 "Average Difference" N 56 2.553 -0.409 2.543 18327 110 1 19 "Average Difference" HA 54 0.608 -0.106 0.604 18327 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18327 112 1 19 "Average Difference" CA 58 1.206 0.504 1.106 18327 113 1 19 "Average Difference" CB 52 1.228 0.413 1.168 18327 114 1 19 "Average Difference" HN 55 0.448 -0.104 0.440 18327 115 1 20 "Average Difference" N 56 2.696 -0.519 2.670 18327 116 1 20 "Average Difference" HA 54 0.590 -0.084 0.589 18327 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18327 118 1 20 "Average Difference" CA 58 1.180 0.430 1.109 18327 119 1 20 "Average Difference" CB 52 1.332 0.551 1.225 18327 120 1 20 "Average Difference" HN 55 0.489 -0.045 0.491 18327 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 18327 _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 13 13 TYR HA H 13 5.560 5.560 4.643 0.917 18327 2 1 . 1 1 13 13 TYR CA C 13 55.860 55.860 56.697 -0.837 18327 3 1 . 1 1 13 13 TYR CB C 13 42.440 42.440 41.227 1.213 18327 4 1 . 1 1 14 14 GLY N N 14 105.400 105.400 106.661 -1.261 18327 5 1 . 1 1 14 14 GLY CA C 14 45.240 45.240 43.711 1.529 18327 6 1 . 1 1 14 14 GLY H H 14 8.406 8.406 8.549 -0.143 18327 7 1 . 1 1 15 15 VAL N N 15 118.900 118.900 121.629 -2.729 18327 8 1 . 1 1 15 15 VAL HA H 15 5.330 5.330 4.823 0.507 18327 9 1 . 1 1 15 15 VAL CA C 15 59.210 59.210 60.349 -1.139 18327 10 1 . 1 1 15 15 VAL CB C 15 35.740 35.740 35.638 0.102 18327 11 1 . 1 1 15 15 VAL H H 15 8.854 8.854 8.371 0.483 18327 12 1 . 1 1 16 16 ALA N N 16 129.400 129.400 127.838 1.562 18327 13 1 . 1 1 16 16 ALA HA H 16 5.000 5.000 4.813 0.188 18327 14 1 . 1 1 16 16 ALA CA C 16 52.000 52.000 51.192 0.808 18327 15 1 . 1 1 16 16 ALA CB C 16 19.330 19.330 20.376 -1.046 18327 16 1 . 1 1 16 16 ALA H H 16 9.112 9.112 9.069 0.043 18327 17 1 . 1 1 17 17 PHE N N 17 123.900 123.900 124.066 -0.166 18327 18 1 . 1 1 17 17 PHE HA H 17 4.740 4.740 4.684 0.056 18327 19 1 . 1 1 17 17 PHE CA C 17 56.230 56.230 57.178 -0.948 18327 20 1 . 1 1 17 17 PHE CB C 17 40.000 40.000 40.394 -0.394 18327 21 1 . 1 1 17 17 PHE H H 17 8.785 8.785 8.485 0.300 18327 22 1 . 1 1 18 18 TYR N N 18 118.100 118.100 118.645 -0.545 18327 23 1 . 1 1 18 18 TYR HA H 18 4.490 4.490 4.469 0.021 18327 24 1 . 1 1 18 18 TYR CA C 18 55.300 55.300 57.484 -2.184 18327 25 1 . 1 1 18 18 TYR CB C 18 42.810 42.810 41.502 1.308 18327 26 1 . 1 1 18 18 TYR H H 18 7.288 7.288 7.579 -0.290 18327 27 1 . 1 1 19 19 ASN N N 19 116.800 116.800 121.014 -4.214 18327 28 1 . 1 1 19 19 ASN HA H 19 4.710 4.710 4.866 -0.156 18327 29 1 . 1 1 19 19 ASN CA C 19 52.940 52.940 53.498 -0.558 18327 30 1 . 1 1 19 19 ASN CB C 19 39.060 39.060 39.448 -0.388 18327 31 1 . 1 1 19 19 ASN H H 19 8.122 8.122 8.619 -0.497 18327 32 1 . 1 1 20 20 TYR N N 20 122.000 122.000 123.809 -1.809 18327 33 1 . 1 1 20 20 TYR HA H 20 4.710 4.710 4.679 0.031 18327 34 1 . 1 1 20 20 TYR CA C 20 57.720 57.720 57.943 -0.223 18327 35 1 . 1 1 20 20 TYR CB C 20 42.250 42.250 42.615 -0.365 18327 36 1 . 1 1 20 20 TYR H H 20 8.994 8.994 8.683 0.311 18327 37 1 . 1 1 21 21 ASP N N 21 128.500 128.500 121.697 6.803 18327 38 1 . 1 1 21 21 ASP HA H 21 4.790 4.790 4.898 -0.108 18327 39 1 . 1 1 21 21 ASP CA C 21 52.370 52.370 52.274 0.096 18327 40 1 . 1 1 21 21 ASP CB C 21 41.130 41.130 43.656 -2.526 18327 41 1 . 1 1 21 21 ASP H H 21 7.839 7.839 7.723 0.116 18327 42 1 . 1 1 22 22 ALA N N 22 125.200 125.200 122.986 2.214 18327 43 1 . 1 1 22 22 ALA HA H 22 4.050 4.050 4.450 -0.400 18327 44 1 . 1 1 22 22 ALA CA C 22 52.940 52.940 52.740 0.200 18327 45 1 . 1 1 22 22 ALA CB C 22 20.450 20.450 19.556 0.894 18327 46 1 . 1 1 22 22 ALA H H 22 8.107 8.107 8.326 -0.219 18327 47 1 . 1 1 23 23 ARG N N 23 122.200 122.200 121.810 0.390 18327 48 1 . 1 1 23 23 ARG HA H 23 4.350 4.350 4.322 0.028 18327 49 1 . 1 1 23 23 ARG CA C 23 55.490 55.490 56.471 -0.981 18327 50 1 . 1 1 23 23 ARG CB C 23 30.700 30.700 30.804 -0.104 18327 51 1 . 1 1 23 23 ARG H H 23 8.889 8.889 8.743 0.146 18327 52 1 . 1 1 24 24 GLY N N 24 105.200 105.200 106.259 -1.059 18327 53 1 . 1 1 24 24 GLY CA C 24 44.500 44.500 44.685 -0.185 18327 54 1 . 1 1 24 24 GLY H H 24 7.267 7.267 7.580 -0.313 18327 55 1 . 1 1 25 25 ALA N N 25 122.200 122.200 121.665 0.535 18327 56 1 . 1 1 25 25 ALA HA H 25 4.160 4.160 4.285 -0.125 18327 57 1 . 1 1 25 25 ALA CA C 25 54.440 54.440 53.996 0.443 18327 58 1 . 1 1 25 25 ALA CB C 25 18.770 18.770 19.010 -0.240 18327 59 1 . 1 1 25 25 ALA H H 25 8.621 8.621 8.414 0.207 18327 60 1 . 1 1 26 26 ASP N N 26 114.700 114.700 118.652 -3.952 18327 61 1 . 1 1 26 26 ASP HA H 26 4.700 4.700 4.699 0.001 18327 62 1 . 1 1 26 26 ASP CA C 26 53.870 53.870 53.914 -0.044 18327 63 1 . 1 1 26 26 ASP CB C 26 40.390 40.390 40.535 -0.145 18327 64 1 . 1 1 26 26 ASP H H 26 8.949 8.949 8.485 0.464 18327 65 1 . 1 1 27 27 GLU N N 27 118.800 118.800 118.418 0.382 18327 66 1 . 1 1 27 27 GLU HA H 27 5.220 5.220 4.843 0.377 18327 67 1 . 1 1 27 27 GLU CA C 27 54.930 54.930 54.895 0.035 18327 68 1 . 1 1 27 27 GLU CB C 27 32.880 32.880 32.158 0.722 18327 69 1 . 1 1 27 27 GLU H H 27 7.542 7.542 7.567 -0.025 18327 70 1 . 1 1 28 28 LEU N N 28 121.400 121.400 120.351 1.049 18327 71 1 . 1 1 28 28 LEU HA H 28 4.760 4.760 4.748 0.012 18327 72 1 . 1 1 28 28 LEU CA C 28 53.120 53.120 54.201 -1.081 18327 73 1 . 1 1 28 28 LEU CB C 28 44.500 44.500 45.571 -1.071 18327 74 1 . 1 1 28 28 LEU H H 28 8.897 8.897 8.289 0.608 18327 75 1 . 1 1 29 29 SER N N 29 115.700 115.700 118.655 -2.955 18327 76 1 . 1 1 29 29 SER HA H 29 5.030 5.030 4.851 0.179 18327 77 1 . 1 1 29 29 SER CA C 29 58.470 58.470 58.704 -0.234 18327 78 1 . 1 1 29 29 SER CB C 29 63.690 63.690 64.083 -0.394 18327 79 1 . 1 1 29 29 SER H H 29 7.949 7.949 8.423 -0.474 18327 80 1 . 1 1 30 30 LEU N N 30 121.300 121.300 120.315 0.985 18327 81 1 . 1 1 30 30 LEU HA H 30 4.800 4.800 4.672 0.128 18327 82 1 . 1 1 30 30 LEU CA C 30 52.940 52.940 55.370 -2.430 18327 83 1 . 1 1 30 30 LEU CB C 30 46.370 46.370 46.055 0.315 18327 84 1 . 1 1 30 30 LEU H H 30 9.503 9.503 8.632 0.871 18327 85 1 . 1 1 31 31 GLN N N 31 123.100 123.100 120.940 2.160 18327 86 1 . 1 1 31 31 GLN HA H 31 5.070 5.070 4.712 0.359 18327 87 1 . 1 1 31 31 GLN CA C 31 52.940 52.940 54.163 -1.223 18327 88 1 . 1 1 31 31 GLN CB C 31 31.190 31.190 32.534 -1.344 18327 89 1 . 1 1 31 31 GLN H H 31 9.152 9.152 8.419 0.733 18327 90 1 . 1 1 32 32 ILE N N 32 120.800 120.800 121.102 -0.302 18327 91 1 . 1 1 32 32 ILE HA H 32 3.030 3.030 3.880 -0.850 18327 92 1 . 1 1 32 32 ILE CA C 32 64.250 64.250 62.278 1.972 18327 93 1 . 1 1 32 32 ILE CB C 32 37.940 37.940 37.518 0.422 18327 94 1 . 1 1 32 32 ILE H H 32 8.019 8.019 8.506 -0.487 18327 95 1 . 1 1 33 33 GLY N N 33 115.700 115.700 114.264 1.436 18327 96 1 . 1 1 33 33 GLY CA C 33 44.500 44.500 44.911 -0.411 18327 97 1 . 1 1 33 33 GLY H H 33 8.777 8.777 8.712 0.065 18327 98 1 . 1 1 34 34 ASP N N 34 122.300 122.300 121.603 0.697 18327 99 1 . 1 1 34 34 ASP HA H 34 4.640 4.640 4.911 -0.271 18327 100 1 . 1 1 34 34 ASP CA C 34 55.860 55.860 53.658 2.202 18327 101 1 . 1 1 34 34 ASP CB C 34 41.310 41.310 42.518 -1.208 18327 102 1 . 1 1 34 34 ASP H H 34 8.690 8.690 7.634 1.056 18327 103 1 . 1 1 35 35 THR N N 35 117.900 117.900 115.692 2.208 18327 104 1 . 1 1 35 35 THR HA H 35 5.160 5.160 5.195 -0.035 18327 105 1 . 1 1 35 35 THR CA C 35 61.450 61.450 61.475 -0.025 18327 106 1 . 1 1 35 35 THR CB C 35 69.090 69.090 70.680 -1.590 18327 107 1 . 1 1 35 35 THR H H 35 8.389 8.389 8.328 0.061 18327 108 1 . 1 1 36 36 VAL N N 36 118.200 118.200 116.898 1.302 18327 109 1 . 1 1 36 36 VAL HA H 36 5.100 5.100 4.558 0.542 18327 110 1 . 1 1 36 36 VAL CA C 36 57.910 57.910 60.189 -2.279 18327 111 1 . 1 1 36 36 VAL CB C 36 34.190 34.190 34.811 -0.621 18327 112 1 . 1 1 36 36 VAL H H 36 9.019 9.019 9.019 0.000 18327 113 1 . 1 1 37 37 HIS N N 37 122.100 122.100 119.466 2.634 18327 114 1 . 1 1 37 37 HIS HA H 37 4.840 4.840 4.952 -0.112 18327 115 1 . 1 1 37 37 HIS CA C 37 52.560 52.560 54.305 -1.745 18327 116 1 . 1 1 37 37 HIS CB C 37 31.260 31.260 33.193 -1.933 18327 117 1 . 1 1 37 37 HIS H H 37 8.489 8.489 8.453 0.036 18327 118 1 . 1 1 38 38 ILE N N 38 126.400 126.400 125.443 0.957 18327 119 1 . 1 1 38 38 ILE HA H 38 3.780 3.780 4.295 -0.515 18327 120 1 . 1 1 38 38 ILE CA C 38 61.640 61.640 60.876 0.764 18327 121 1 . 1 1 38 38 ILE CB C 38 38.880 38.880 38.879 0.001 18327 122 1 . 1 1 38 38 ILE H H 38 8.636 8.636 8.556 0.080 18327 123 1 . 1 1 39 39 LEU N N 39 126.000 126.000 124.890 1.110 18327 124 1 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.780 -0.380 18327 125 1 . 1 1 39 39 LEU CA C 39 55.490 55.490 55.204 0.286 18327 126 1 . 1 1 39 39 LEU CB C 39 43.750 43.750 44.181 -0.431 18327 127 1 . 1 1 39 39 LEU H H 39 9.162 9.162 8.666 0.496 18327 128 1 . 1 1 40 40 GLU N N 40 115.100 115.100 117.409 -2.309 18327 129 1 . 1 1 40 40 GLU HA H 40 7.895 7.895 4.711 3.184 18327 130 1 . 1 1 41 41 THR N N 41 116.400 116.400 111.586 4.814 18327 131 1 . 1 1 41 41 THR HA H 41 4.270 4.270 4.778 -0.508 18327 132 1 . 1 1 41 41 THR CA C 41 60.890 60.890 60.814 0.076 18327 133 1 . 1 1 41 41 THR CB C 41 69.650 69.650 70.659 -1.009 18327 134 1 . 1 1 41 41 THR H H 41 8.162 8.162 8.411 -0.249 18327 135 1 . 1 1 43 43 GLU N N 43 123.300 123.300 121.299 2.001 18327 136 1 . 1 1 43 43 GLU HA H 43 4.270 4.270 4.238 0.032 18327 137 1 . 1 1 43 43 GLU CA C 43 57.350 57.350 55.953 1.397 18327 138 1 . 1 1 43 43 GLU CB C 43 26.790 26.790 29.355 -2.565 18327 139 1 . 1 1 43 43 GLU H H 43 8.108 8.108 8.481 -0.373 18327 140 1 . 1 1 44 44 GLY CA C 44 45.440 45.440 45.320 0.120 18327 141 1 . 1 1 45 45 TRP N N 45 124.100 124.100 119.770 4.330 18327 142 1 . 1 1 45 45 TRP HA H 45 4.690 4.690 4.671 0.019 18327 143 1 . 1 1 45 45 TRP H H 45 8.590 8.590 7.276 1.314 18327 144 1 . 1 1 46 46 TYR HA H 46 5.600 5.600 4.637 0.963 18327 145 1 . 1 1 46 46 TYR CA C 46 54.060 54.060 57.049 -2.989 18327 146 1 . 1 1 46 46 TYR CB C 46 42.060 42.060 41.207 0.853 18327 147 1 . 1 1 47 47 ARG N N 47 118.100 118.100 122.405 -4.306 18327 148 1 . 1 1 47 47 ARG HA H 47 5.070 5.070 4.855 0.215 18327 149 1 . 1 1 47 47 ARG CA C 47 54.060 54.060 54.298 -0.238 18327 150 1 . 1 1 47 47 ARG CB C 47 33.250 33.250 34.210 -0.960 18327 151 1 . 1 1 47 47 ARG H H 47 8.495 8.495 9.007 -0.512 18327 152 1 . 1 1 48 48 GLY N N 48 114.000 114.000 113.377 0.623 18327 153 1 . 1 1 48 48 GLY CA C 48 46.560 46.560 46.366 0.194 18327 154 1 . 1 1 48 48 GLY H H 48 9.183 9.183 9.000 0.183 18327 155 1 . 1 1 49 49 TYR N N 49 116.200 116.200 116.881 -0.681 18327 156 1 . 1 1 49 49 TYR HA H 49 5.380 5.380 5.113 0.267 18327 157 1 . 1 1 49 49 TYR CA C 49 55.110 55.110 56.914 -1.804 18327 158 1 . 1 1 49 49 TYR CB C 49 40.750 40.750 39.696 1.054 18327 159 1 . 1 1 49 49 TYR H H 49 8.199 8.199 8.454 -0.255 18327 160 1 . 1 1 50 50 THR N N 50 112.200 112.200 111.934 0.266 18327 161 1 . 1 1 50 50 THR HA H 50 5.120 5.120 4.225 0.895 18327 162 1 . 1 1 50 50 THR CA C 50 59.770 59.770 61.248 -1.478 18327 163 1 . 1 1 50 50 THR CB C 50 69.460 69.460 69.898 -0.438 18327 164 1 . 1 1 50 50 THR H H 50 9.436 9.436 8.496 0.940 18327 165 1 . 1 1 51 51 LEU N N 51 121.300 121.300 120.121 1.179 18327 166 1 . 1 1 51 51 LEU HA H 51 4.230 4.230 4.322 -0.092 18327 167 1 . 1 1 51 51 LEU CA C 51 56.790 56.790 55.550 1.240 18327 168 1 . 1 1 51 51 LEU CB C 51 40.000 40.000 41.891 -1.891 18327 169 1 . 1 1 51 51 LEU H H 51 8.313 8.313 8.127 0.186 18327 170 1 . 1 1 52 52 ARG N N 52 116.600 116.600 118.294 -1.694 18327 171 1 . 1 1 52 52 ARG HA H 52 4.250 4.250 4.158 0.092 18327 172 1 . 1 1 52 52 ARG CA C 52 57.350 57.350 57.359 -0.009 18327 173 1 . 1 1 52 52 ARG CB C 52 30.510 30.510 30.791 -0.281 18327 174 1 . 1 1 52 52 ARG H H 52 8.053 8.053 7.974 0.079 18327 175 1 . 1 1 53 53 LYS N N 53 122.600 122.600 117.673 4.928 18327 176 1 . 1 1 53 53 LYS HA H 53 4.620 4.620 4.520 0.100 18327 177 1 . 1 1 53 53 LYS CA C 53 54.620 54.620 55.441 -0.821 18327 178 1 . 1 1 53 53 LYS CB C 53 32.310 32.310 33.731 -1.421 18327 179 1 . 1 1 53 53 LYS H H 53 7.655 7.655 7.603 0.052 18327 180 1 . 1 1 54 54 LYS N N 54 124.900 124.900 124.403 0.497 18327 181 1 . 1 1 54 54 LYS HA H 54 4.090 4.090 4.318 -0.228 18327 182 1 . 1 1 54 54 LYS CA C 54 58.470 58.470 58.316 0.154 18327 183 1 . 1 1 54 54 LYS CB C 54 32.130 32.130 32.547 -0.417 18327 184 1 . 1 1 54 54 LYS H H 54 8.499 8.499 8.738 -0.239 18327 185 1 . 1 1 55 55 SER N N 55 110.100 110.100 113.486 -3.386 18327 186 1 . 1 1 55 55 SER HA H 55 4.140 4.140 4.292 -0.152 18327 187 1 . 1 1 55 55 SER CA C 55 58.470 58.470 59.953 -1.483 18327 188 1 . 1 1 55 55 SER CB C 55 63.310 63.310 63.207 0.103 18327 189 1 . 1 1 55 55 SER H H 55 7.862 7.862 8.042 -0.180 18327 190 1 . 1 1 56 56 LYS N N 56 124.000 124.000 122.239 1.761 18327 191 1 . 1 1 56 56 LYS HA H 56 4.700 4.700 4.425 0.275 18327 192 1 . 1 1 56 56 LYS CA C 56 54.810 54.810 55.452 -0.642 18327 193 1 . 1 1 56 56 LYS CB C 56 33.250 33.250 32.522 0.728 18327 194 1 . 1 1 56 56 LYS H H 56 7.481 7.481 7.792 -0.311 18327 195 1 . 1 1 57 57 LYS N N 57 125.700 125.700 122.232 3.468 18327 196 1 . 1 1 57 57 LYS HA H 57 5.330 5.330 4.621 0.709 18327 197 1 . 1 1 57 57 LYS CA C 57 54.620 54.620 55.318 -0.698 18327 198 1 . 1 1 57 57 LYS CB C 57 34.240 34.240 35.211 -0.971 18327 199 1 . 1 1 57 57 LYS H H 57 8.475 8.475 8.047 0.428 18327 200 1 . 1 1 58 58 GLY N N 58 109.400 109.400 107.416 1.984 18327 201 1 . 1 1 58 58 GLY CA C 58 45.620 45.620 45.398 0.221 18327 202 1 . 1 1 58 58 GLY H H 58 9.073 9.073 8.629 0.444 18327 203 1 . 1 1 59 59 ILE N N 59 113.900 113.900 118.082 -4.182 18327 204 1 . 1 1 59 59 ILE HA H 59 6.000 6.000 5.045 0.955 18327 205 1 . 1 1 59 59 ILE CA C 59 59.590 59.590 59.249 0.341 18327 206 1 . 1 1 59 59 ILE CB C 59 41.140 41.140 42.171 -1.032 18327 207 1 . 1 1 59 59 ILE H H 59 8.628 8.628 8.247 0.381 18327 208 1 . 1 1 60 60 PHE N N 60 116.900 116.900 115.368 1.532 18327 209 1 . 1 1 60 60 PHE HA H 60 5.120 5.120 5.135 -0.015 18327 210 1 . 1 1 60 60 PHE CA C 60 54.060 54.060 55.113 -1.053 18327 211 1 . 1 1 60 60 PHE CB C 60 37.190 37.190 39.940 -2.750 18327 212 1 . 1 1 60 60 PHE H H 60 8.724 8.724 8.575 0.149 18327 213 1 . 1 1 61 61 PRO HA H 61 3.480 3.480 3.739 -0.259 18327 214 1 . 1 1 61 61 PRO CA C 61 62.200 62.200 62.233 -0.033 18327 215 1 . 1 1 61 61 PRO CB C 61 31.190 31.190 31.466 -0.276 18327 216 1 . 1 1 62 62 ALA N N 62 124.600 124.600 127.560 -2.960 18327 217 1 . 1 1 62 62 ALA HA H 62 3.720 3.720 4.281 -0.561 18327 218 1 . 1 1 62 62 ALA CA C 62 54.370 54.370 54.875 -0.505 18327 219 1 . 1 1 62 62 ALA CB C 62 17.650 17.650 18.217 -0.567 18327 220 1 . 1 1 62 62 ALA H H 62 7.898 7.898 8.397 -0.499 18327 221 1 . 1 1 63 63 SER N N 63 109.700 109.700 112.624 -2.924 18327 222 1 . 1 1 63 63 SER HA H 63 4.200 4.200 4.222 -0.022 18327 223 1 . 1 1 63 63 SER CA C 63 59.400 59.400 60.540 -1.140 18327 224 1 . 1 1 63 63 SER CB C 63 62.380 62.380 62.866 -0.486 18327 225 1 . 1 1 63 63 SER H H 63 8.030 8.030 8.139 -0.109 18327 226 1 . 1 1 64 64 TYR N N 64 120.300 120.300 117.979 2.321 18327 227 1 . 1 1 64 64 TYR HA H 64 4.260 4.260 4.506 -0.246 18327 228 1 . 1 1 64 64 TYR CA C 64 57.720 57.720 58.352 -0.632 18327 229 1 . 1 1 64 64 TYR CB C 64 37.560 37.560 38.219 -0.659 18327 230 1 . 1 1 64 64 TYR H H 64 7.124 7.124 7.497 -0.373 18327 231 1 . 1 1 65 65 ILE N N 65 118.000 118.000 117.037 0.963 18327 232 1 . 1 1 65 65 ILE HA H 65 4.830 4.830 4.936 -0.106 18327 233 1 . 1 1 65 65 ILE CA C 65 56.980 56.980 59.299 -2.318 18327 234 1 . 1 1 65 65 ILE CB C 65 39.630 39.630 40.333 -0.703 18327 235 1 . 1 1 65 65 ILE H H 65 7.671 7.671 7.473 0.198 18327 236 1 . 1 1 66 66 HIS N N 66 124.500 124.500 122.889 1.611 18327 237 1 . 1 1 66 66 HIS HA H 66 5.130 5.130 4.912 0.218 18327 238 1 . 1 1 66 66 HIS CA C 66 53.060 53.060 54.510 -1.450 18327 239 1 . 1 1 66 66 HIS CB C 66 30.510 30.510 33.094 -2.584 18327 240 1 . 1 1 66 66 HIS H H 66 9.159 9.159 8.860 0.299 18327 241 1 . 1 1 67 67 LEU N N 67 127.400 127.400 126.715 0.685 18327 242 1 . 1 1 67 67 LEU HA H 67 4.560 4.560 4.743 -0.183 18327 243 1 . 1 1 67 67 LEU CA C 67 55.300 55.300 55.319 -0.019 18327 244 1 . 1 1 67 67 LEU CB C 67 42.060 42.060 42.951 -0.891 18327 245 1 . 1 1 67 67 LEU H H 67 8.979 8.979 8.817 0.162 18327 246 1 . 1 1 68 68 LYS N N 68 121.900 121.900 122.823 -0.923 18327 247 1 . 1 1 68 68 LYS HA H 68 4.490 4.490 4.473 0.017 18327 248 1 . 1 1 68 68 LYS CA C 68 55.110 55.110 55.462 -0.352 18327 249 1 . 1 1 68 68 LYS CB C 68 34.610 34.610 33.946 0.664 18327 250 1 . 1 1 68 68 LYS H H 68 8.499 8.499 8.829 -0.330 18327 251 1 . 1 1 69 69 GLU N N 69 122.100 122.100 121.552 0.548 18327 252 1 . 1 1 69 69 GLU HA H 69 4.290 4.290 4.062 0.228 18327 253 1 . 1 1 69 69 GLU CA C 69 56.610 56.610 57.276 -0.666 18327 254 1 . 1 1 69 69 GLU CB C 69 30.330 30.330 29.376 0.954 18327 255 1 . 1 1 69 69 GLU H H 69 8.569 8.569 8.411 0.158 18327 256 1 . 1 1 70 70 ALA N N 70 123.300 123.300 124.612 -1.312 18327 257 1 . 1 1 70 70 ALA HA H 70 4.210 4.210 4.134 0.075 18327 258 1 . 1 1 70 70 ALA CA C 70 51.810 51.810 52.422 -0.612 18327 259 1 . 1 1 70 70 ALA CB C 70 19.700 19.700 18.623 1.077 18327 260 1 . 1 1 70 70 ALA H H 70 8.181 8.181 8.297 -0.116 18327 261 1 . 1 1 71 71 ILE N N 71 120.000 120.000 120.233 -0.233 18327 262 1 . 1 1 71 71 ILE HA H 71 4.070 4.070 4.149 -0.079 18327 263 1 . 1 1 71 71 ILE CA C 71 60.330 60.330 61.048 -0.718 18327 264 1 . 1 1 71 71 ILE CB C 71 38.690 38.690 38.900 -0.210 18327 265 1 . 1 1 71 71 ILE H H 71 7.789 7.789 8.161 -0.372 18327 266 1 . 1 1 72 72 VAL N N 72 124.400 124.400 121.580 2.820 18327 267 1 . 1 1 72 72 VAL HA H 72 4.070 4.070 4.292 -0.222 18327 268 1 . 1 1 72 72 VAL CA C 72 61.640 61.640 61.630 0.010 18327 269 1 . 1 1 72 72 VAL CB C 72 32.690 32.690 32.965 -0.276 18327 270 1 . 1 1 72 72 VAL H H 72 8.089 8.089 8.125 -0.036 18327 271 1 . 1 1 73 73 GLU N N 73 125.940 125.940 121.774 4.166 18327 272 1 . 1 1 73 73 GLU HA H 73 4.300 4.300 4.524 -0.224 18327 273 1 . 1 1 73 73 GLU CA C 73 56.610 56.610 55.970 0.640 18327 274 1 . 1 1 73 73 GLU CB C 73 30.710 30.710 30.793 -0.083 18327 275 1 . 1 1 73 73 GLU H H 73 8.464 8.464 8.556 -0.092 18327 stop_ save_