NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640867 | 6ee9 | 30507 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 16.506 -0.634 7.445 2 H2 PHE 1 HT2 PHE 1 15.021 -1.101 6.783 3 H3 PHE 1 HT3 PHE 1 15.512 0.516 6.703 4 HA PHE 1 HA PHE 1 16.846 -1.762 5.360 5 HB2 PHE 1 HB2 PHE 1 15.046 0.428 4.306 6 HB3 PHE 1 HB1 PHE 1 16.055 -0.575 3.270 7 HD1 PHE 1 HD1 PHE 1 13.088 -0.474 5.397 8 HD2 PHE 1 HD2 PHE 1 15.526 -2.908 2.897 9 HE1 PHE 1 HE1 PHE 1 11.304 -2.166 5.313 10 HE2 PHE 1 HE2 PHE 1 13.746 -4.604 2.809 11 HZ PHE 1 HZ PHE 1 11.633 -4.235 4.016 12 H GLY 2 HN GLY 2 18.650 -1.247 4.120 13 HA2 GLY 2 HA2 GLY 2 19.706 1.485 4.292 14 HA3 GLY 2 HA1 GLY 2 20.674 0.179 4.957 15 H VAL 3 HN VAL 3 21.497 1.910 2.884 16 HA VAL 3 HA VAL 3 21.808 -0.024 0.690 17 HB VAL 3 HB VAL 3 21.992 1.985 -0.884 18 HG11 VAL 3 HG11 VAL 3 19.317 1.296 0.324 19 HG12 VAL 3 HG12 VAL 3 20.149 0.416 -0.959 20 HG13 VAL 3 HG13 VAL 3 19.567 2.057 -1.248 21 HG21 VAL 3 HG21 VAL 3 20.471 3.360 1.342 22 HG22 VAL 3 HG22 VAL 3 20.727 3.993 -0.285 23 HG23 VAL 3 HG23 VAL 3 22.100 3.768 0.799 24 H ARG 4 HN ARG 4 23.833 -0.589 0.399 25 HA ARG 4 HA ARG 4 25.975 1.320 1.081 26 HB2 ARG 4 HB2 ARG 4 25.840 -1.660 1.518 27 HB3 ARG 4 HB1 ARG 4 27.363 -0.782 1.526 28 HG2 ARG 4 HG2 ARG 4 26.560 0.593 3.383 29 HG3 ARG 4 HG1 ARG 4 25.035 -0.295 3.375 30 HD2 ARG 4 HD2 ARG 4 26.239 -2.365 3.875 31 HD3 ARG 4 HD1 ARG 4 27.762 -1.478 3.881 32 HE ARG 4 HE ARG 4 26.016 -0.275 5.714 33 HH11 ARG 4 HH11 ARG 4 27.982 -3.500 7.079 34 HH12 ARG 4 HH12 ARG 4 27.831 -3.261 5.371 35 HH21 ARG 4 HH21 ARG 4 26.225 -0.609 7.946 36 HH22 ARG 4 HH22 ARG 4 27.073 -1.999 8.535 37 H VAL 5 HN VAL 5 27.592 1.615 -0.358 38 HA VAL 5 HA VAL 5 27.767 -0.131 -2.699 39 HB VAL 5 HB VAL 5 28.064 1.944 -4.165 40 HG11 VAL 5 HG11 VAL 5 25.653 2.132 -4.575 41 HG12 VAL 5 HG12 VAL 5 25.340 1.302 -3.050 42 HG13 VAL 5 HG13 VAL 5 26.164 0.457 -4.360 43 HG21 VAL 5 HG21 VAL 5 26.837 3.963 -3.482 44 HG22 VAL 5 HG22 VAL 5 28.207 3.648 -2.417 45 HG23 VAL 5 HG23 VAL 5 26.571 3.259 -1.888 46 H GLY 6 HN GLY 6 29.775 -0.776 -2.951 47 HA2 GLY 6 HA2 GLY 6 31.996 1.074 -2.755 48 HA3 GLY 6 HA1 GLY 6 31.979 -0.174 -1.519 49 H THR 7 HN THR 7 34.049 0.130 -3.370 50 HA THR 7 HA THR 7 33.685 -2.035 -5.310 51 HB THR 7 HB THR 7 35.984 -1.307 -6.121 52 HG1 THR 7 HG1 THR 7 36.947 0.123 -4.908 53 HG21 THR 7 HG21 THR 7 33.936 -0.688 -7.302 54 HG22 THR 7 HG22 THR 7 35.110 0.628 -7.349 55 HG23 THR 7 HG23 THR 7 33.738 0.709 -6.242 56 H CYS 8 HN CYS 8 35.822 -1.051 -2.665 57 HA CYS 8 HA CYS 8 36.908 -3.784 -2.562 58 HB2 CYS 8 HB2 CYS 8 38.793 -2.784 -1.276 59 HB3 CYS 8 HB1 CYS 8 38.640 -2.127 -2.907 60 HA PRO 9 HA PRO 9 34.837 -4.530 1.316 61 HB2 PRO 9 HB2 PRO 9 36.651 -6.142 2.599 62 HB3 PRO 9 HB1 PRO 9 35.593 -6.703 1.287 63 HG2 PRO 9 HG2 PRO 9 38.452 -5.869 1.177 64 HG3 PRO 9 HG1 PRO 9 37.645 -7.244 0.388 65 HD2 PRO 9 HD2 PRO 9 38.222 -4.991 -0.955 66 HD3 PRO 9 HD1 PRO 9 36.754 -5.929 -1.291 67 H SER 10 HN SER 10 35.027 -4.288 3.677 68 HA SER 10 HA SER 10 36.112 -1.809 4.432 69 HB2 SER 10 HB2 SER 10 34.148 -2.958 5.499 70 HB3 SER 10 HB1 SER 10 35.286 -4.042 6.298 71 HG SER 10 HG SER 10 34.574 -2.105 7.500 72 H GLY 11 HN GLY 11 37.903 -1.189 5.525 73 HA2 GLY 11 HA2 GLY 11 39.821 -1.561 6.909 74 HA3 GLY 11 HA1 GLY 11 39.839 -3.240 6.376 75 H TYR 12 HN TYR 12 39.527 -0.368 4.349 76 HA TYR 12 HA TYR 12 42.217 -0.819 3.252 77 HB2 TYR 12 HB2 TYR 12 39.606 -0.940 1.845 78 HB3 TYR 12 HB1 TYR 12 40.903 -0.077 1.012 79 HD1 TYR 12 HD1 TYR 12 42.843 -1.240 0.198 80 HD2 TYR 12 HD2 TYR 12 39.779 -3.342 2.262 81 HE1 TYR 12 HE1 TYR 12 43.796 -3.368 -0.574 82 HE2 TYR 12 HE2 TYR 12 40.720 -5.482 1.493 83 HH TYR 12 HH TYR 12 43.796 -5.738 0.091 84 H VAL 13 HN VAL 13 43.005 1.046 1.931 85 HA VAL 13 HA VAL 13 42.130 3.559 3.179 86 HB VAL 13 HB VAL 13 44.712 2.982 1.686 87 HG11 VAL 13 HG11 VAL 13 43.903 5.421 3.277 88 HG12 VAL 13 HG12 VAL 13 44.098 5.342 1.525 89 HG13 VAL 13 HG13 VAL 13 45.497 5.129 2.578 90 HG21 VAL 13 HG21 VAL 13 45.778 3.119 3.900 91 HG22 VAL 13 HG22 VAL 13 44.627 1.783 3.795 92 HG23 VAL 13 HG23 VAL 13 44.185 3.265 4.644 93 H ARG 14 HN ARG 14 40.534 4.434 2.015 94 HA ARG 14 HA ARG 14 40.664 4.443 -0.917 95 HB2 ARG 14 HB2 ARG 14 38.405 5.259 0.913 96 HB3 ARG 14 HB1 ARG 14 38.313 5.106 -0.839 97 HG2 ARG 14 HG2 ARG 14 38.687 2.695 -0.664 98 HG3 ARG 14 HG1 ARG 14 38.785 2.838 1.096 99 HD2 ARG 14 HD2 ARG 14 36.376 3.710 -0.485 100 HD3 ARG 14 HD1 ARG 14 36.561 2.074 0.144 101 HE ARG 14 HE ARG 14 36.962 3.824 2.268 102 HH11 ARG 14 HH11 ARG 14 34.318 2.946 0.129 103 HH12 ARG 14 HH12 ARG 14 33.097 3.313 1.302 104 HH21 ARG 14 HH21 ARG 14 33.681 4.077 3.370 105 HH22 ARG 14 HH22 ARG 14 35.348 4.296 3.786 106 H ARG 15 HN ARG 15 41.985 6.114 -1.486 107 HA ARG 15 HA ARG 15 41.024 8.805 -0.934 108 HB2 ARG 15 HB2 ARG 15 43.817 7.896 -0.206 109 HB3 ARG 15 HB1 ARG 15 43.364 9.587 -0.373 110 HG2 ARG 15 HG2 ARG 15 41.687 7.931 1.431 111 HG3 ARG 15 HG1 ARG 15 43.335 8.297 1.972 112 HD2 ARG 15 HD2 ARG 15 42.899 10.694 1.638 113 HD3 ARG 15 HD1 ARG 15 41.255 10.316 1.125 114 HE ARG 15 HE ARG 15 41.545 9.175 3.615 115 HH11 ARG 15 HH11 ARG 15 41.732 12.436 2.324 116 HH12 ARG 15 HH12 ARG 15 41.216 13.174 3.805 117 HH21 ARG 15 HH21 ARG 15 40.872 10.162 5.542 118 HH22 ARG 15 HH22 ARG 15 40.728 11.887 5.624 119 H GLY 16 HN GLY 16 41.227 10.116 -2.658 120 HA2 GLY 16 HA2 GLY 16 41.995 10.959 -4.679 121 HA3 GLY 16 HA1 GLY 16 43.263 9.736 -4.675 122 H THR 17 HN THR 17 39.847 9.034 -4.338 123 HA THR 17 HA THR 17 38.340 7.835 -5.499 124 HB THR 17 HB THR 17 38.204 8.024 -7.957 125 HG1 THR 17 HG1 THR 17 40.720 9.290 -7.646 126 HG21 THR 17 HG21 THR 17 37.218 9.771 -6.571 127 HG22 THR 17 HG22 THR 17 37.865 10.452 -8.063 128 HG23 THR 17 HG23 THR 17 38.753 10.639 -6.553 129 H PHE 18 HN PHE 18 41.053 6.623 -4.822 130 HA PHE 18 HA PHE 18 40.611 4.150 -6.323 131 HB2 PHE 18 HB2 PHE 18 43.014 3.760 -6.623 132 HB3 PHE 18 HB1 PHE 18 42.506 5.227 -7.442 133 HD1 PHE 18 HD1 PHE 18 44.411 3.870 -4.604 134 HD2 PHE 18 HD2 PHE 18 43.382 7.362 -6.806 135 HE1 PHE 18 HE1 PHE 18 46.222 5.103 -3.488 136 HE2 PHE 18 HE2 PHE 18 45.190 8.603 -5.692 137 HZ PHE 18 HZ PHE 18 46.615 7.473 -4.030 138 H CYS 19 HN CYS 19 41.052 2.248 -5.234 139 HA CYS 19 HA CYS 19 41.544 2.536 -2.341 140 HB2 CYS 19 HB2 CYS 19 39.264 1.742 -2.950 141 HB3 CYS 19 HB1 CYS 19 39.991 0.356 -3.763 142 H PHE 20 HN PHE 20 43.398 1.708 -1.622 143 HA PHE 20 HA PHE 20 44.598 -0.532 -3.088 144 HB2 PHE 20 HB2 PHE 20 46.821 0.432 -2.835 145 HB3 PHE 20 HB1 PHE 20 45.766 1.586 -3.648 146 HD1 PHE 20 HD1 PHE 20 47.894 0.962 -0.822 147 HD2 PHE 20 HD2 PHE 20 44.858 3.536 -2.331 148 HE1 PHE 20 HE1 PHE 20 48.496 2.651 0.859 149 HE2 PHE 20 HE2 PHE 20 45.457 5.229 -0.650 150 HZ PHE 20 HZ PHE 20 47.275 4.782 0.950 151 HA PRO 21 HA PRO 21 45.129 -2.341 0.980 152 HB2 PRO 21 HB2 PRO 21 47.480 -3.863 0.338 153 HB3 PRO 21 HB1 PRO 21 45.795 -4.420 0.348 154 HG2 PRO 21 HG2 PRO 21 47.337 -4.216 -1.906 155 HG3 PRO 21 HG1 PRO 21 45.564 -4.169 -1.893 156 HD2 PRO 21 HD2 PRO 21 47.514 -1.901 -2.058 157 HD3 PRO 21 HD1 PRO 21 45.980 -2.143 -2.922 158 H ASP 22 HN ASP 22 45.952 -1.770 2.838 159 HA ASP 22 HA ASP 22 48.730 -1.215 3.295 160 HB2 ASP 22 HB2 ASP 22 47.855 0.932 2.260 161 HB3 ASP 22 HB1 ASP 22 46.802 1.093 3.663 162 H ASP 23 HN ASP 23 45.452 -0.577 4.564 163 HA ASP 23 HA ASP 23 46.289 -1.245 7.270 164 HB2 ASP 23 HB2 ASP 23 44.729 0.701 6.583 165 HB3 ASP 23 HB1 ASP 23 43.488 -0.533 6.414 166 H ASP 24 HN ASP 24 45.249 -2.958 4.610 167 HA ASP 24 HA ASP 24 43.674 -4.918 6.104 168 HB2 ASP 24 HB2 ASP 24 43.147 -3.997 3.707 169 HB3 ASP 24 HB1 ASP 24 44.346 -5.177 3.188 170 H TYR 25 HN TYR 25 46.689 -4.680 4.244 171 HA TYR 25 HA TYR 25 47.520 -7.284 5.348 172 HB2 TYR 25 HB2 TYR 25 48.251 -5.953 2.737 173 HB3 TYR 25 HB1 TYR 25 49.135 -7.328 3.388 174 HD1 TYR 25 HD1 TYR 25 45.997 -6.218 1.861 175 HD2 TYR 25 HD2 TYR 25 48.138 -9.545 3.425 176 HE1 TYR 25 HE1 TYR 25 44.379 -7.744 0.812 177 HE2 TYR 25 HE2 TYR 25 46.527 -11.080 2.380 178 HH TYR 25 HH TYR 25 44.206 -11.046 1.576 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 21.115 -6.056 -14.144 2 H2 PHE 1 HT2 PHE 1 19.646 -5.404 -13.615 3 H3 PHE 1 HT3 PHE 1 19.865 -7.081 -13.643 4 HA PHE 1 HA PHE 1 20.020 -6.228 -11.398 5 HB2 PHE 1 HB2 PHE 1 22.586 -7.271 -12.612 6 HB3 PHE 1 HB1 PHE 1 22.317 -7.138 -10.878 7 HD1 PHE 1 HD1 PHE 1 21.450 -8.949 -13.928 8 HD2 PHE 1 HD2 PHE 1 20.788 -8.629 -9.736 9 HE1 PHE 1 HE1 PHE 1 20.394 -11.171 -13.930 10 HE2 PHE 1 HE2 PHE 1 19.732 -10.851 -9.730 11 HZ PHE 1 HZ PHE 1 19.534 -12.125 -11.829 12 H GLY 2 HN GLY 2 20.964 -4.871 -9.879 13 HA2 GLY 2 HA2 GLY 2 22.920 -2.893 -10.781 14 HA3 GLY 2 HA1 GLY 2 21.353 -2.289 -10.267 15 H VAL 3 HN VAL 3 24.057 -1.875 -9.154 16 HA VAL 3 HA VAL 3 23.410 -2.552 -6.382 17 HB VAL 3 HB VAL 3 25.896 -2.993 -5.958 18 HG11 VAL 3 HG11 VAL 3 24.205 -4.718 -5.790 19 HG12 VAL 3 HG12 VAL 3 25.675 -5.372 -6.512 20 HG13 VAL 3 HG13 VAL 3 24.285 -4.998 -7.529 21 HG21 VAL 3 HG21 VAL 3 25.885 -3.529 -8.936 22 HG22 VAL 3 HG22 VAL 3 27.179 -3.962 -7.818 23 HG23 VAL 3 HG23 VAL 3 26.799 -2.265 -8.111 24 H ARG 4 HN ARG 4 23.754 -0.955 -4.970 25 HA ARG 4 HA ARG 4 25.375 1.358 -5.807 26 HB2 ARG 4 HB2 ARG 4 22.611 1.366 -4.600 27 HB3 ARG 4 HB1 ARG 4 23.660 2.775 -4.555 28 HG2 ARG 4 HG2 ARG 4 23.731 2.802 -7.000 29 HG3 ARG 4 HG1 ARG 4 22.682 1.385 -7.044 30 HD2 ARG 4 HD2 ARG 4 21.896 3.958 -5.693 31 HD3 ARG 4 HD1 ARG 4 21.566 3.638 -7.394 32 HE ARG 4 HE ARG 4 20.567 1.477 -5.976 33 HH11 ARG 4 HH11 ARG 4 18.250 4.748 -5.704 34 HH12 ARG 4 HH12 ARG 4 19.918 4.926 -6.139 35 HH21 ARG 4 HH21 ARG 4 18.382 1.269 -5.408 36 HH22 ARG 4 HH22 ARG 4 17.384 2.680 -5.291 37 H VAL 5 HN VAL 5 26.588 2.340 -4.253 38 HA VAL 5 HA VAL 5 27.783 2.644 -2.347 39 HB VAL 5 HB VAL 5 25.516 1.409 -0.757 40 HG11 VAL 5 HG11 VAL 5 26.267 2.874 1.033 41 HG12 VAL 5 HG12 VAL 5 27.517 3.545 -0.012 42 HG13 VAL 5 HG13 VAL 5 27.595 1.854 0.481 43 HG21 VAL 5 HG21 VAL 5 24.565 3.111 -2.239 44 HG22 VAL 5 HG22 VAL 5 25.747 4.284 -1.654 45 HG23 VAL 5 HG23 VAL 5 24.529 3.635 -0.555 46 H GLY 6 HN GLY 6 29.518 1.541 -1.783 47 HA2 GLY 6 HA2 GLY 6 30.629 -0.229 -0.634 48 HA3 GLY 6 HA1 GLY 6 29.273 -1.282 -1.002 49 H THR 7 HN THR 7 32.169 0.227 -2.260 50 HA THR 7 HA THR 7 32.096 -1.583 -4.580 51 HB THR 7 HB THR 7 33.851 -0.019 -5.553 52 HG1 THR 7 HG1 THR 7 34.134 1.938 -4.602 53 HG21 THR 7 HG21 THR 7 32.190 1.620 -6.318 54 HG22 THR 7 HG22 THR 7 31.087 1.092 -5.047 55 HG23 THR 7 HG23 THR 7 31.538 -0.019 -6.341 56 H CYS 8 HN CYS 8 34.335 -0.128 -2.235 57 HA CYS 8 HA CYS 8 36.303 -2.206 -2.746 58 HB2 CYS 8 HB2 CYS 8 36.458 0.217 -0.939 59 HB3 CYS 8 HB1 CYS 8 37.790 -0.828 -1.412 60 HA PRO 9 HA PRO 9 35.206 -4.621 0.855 61 HB2 PRO 9 HB2 PRO 9 37.651 -5.611 1.601 62 HB3 PRO 9 HB1 PRO 9 36.725 -6.228 0.215 63 HG2 PRO 9 HG2 PRO 9 39.009 -4.315 0.259 64 HG3 PRO 9 HG1 PRO 9 38.685 -5.663 -0.855 65 HD2 PRO 9 HD2 PRO 9 38.182 -3.106 -1.532 66 HD3 PRO 9 HD1 PRO 9 37.165 -4.447 -2.096 67 H SER 10 HN SER 10 35.599 -4.873 3.186 68 HA SER 10 HA SER 10 36.042 -2.323 4.449 69 HB2 SER 10 HB2 SER 10 35.371 -5.023 5.643 70 HB3 SER 10 HB1 SER 10 35.364 -3.492 6.519 71 HG SER 10 HG SER 10 33.787 -2.797 4.893 72 H GLY 11 HN GLY 11 37.776 -1.620 5.504 73 HA2 GLY 11 HA2 GLY 11 39.692 -1.816 6.884 74 HA3 GLY 11 HA1 GLY 11 39.830 -3.509 6.413 75 H TYR 12 HN TYR 12 39.472 -0.661 4.338 76 HA TYR 12 HA TYR 12 42.197 -1.070 3.307 77 HB2 TYR 12 HB2 TYR 12 39.642 -1.332 1.868 78 HB3 TYR 12 HB1 TYR 12 40.817 -0.282 1.070 79 HD1 TYR 12 HD1 TYR 12 42.862 -1.153 0.179 80 HD2 TYR 12 HD2 TYR 12 40.123 -3.716 2.180 81 HE1 TYR 12 HE1 TYR 12 44.066 -3.104 -0.694 82 HE2 TYR 12 HE2 TYR 12 41.313 -5.683 1.306 83 HH TYR 12 HH TYR 12 44.378 -5.482 -0.140 84 H VAL 13 HN VAL 13 42.901 0.828 1.884 85 HA VAL 13 HA VAL 13 42.008 3.298 3.206 86 HB VAL 13 HB VAL 13 44.137 4.330 2.273 87 HG11 VAL 13 HG11 VAL 13 44.371 2.116 4.300 88 HG12 VAL 13 HG12 VAL 13 43.858 3.774 4.613 89 HG13 VAL 13 HG13 VAL 13 45.511 3.445 4.093 90 HG21 VAL 13 HG21 VAL 13 45.961 2.967 1.617 91 HG22 VAL 13 HG22 VAL 13 44.591 2.455 0.634 92 HG23 VAL 13 HG23 VAL 13 45.099 1.485 2.017 93 H ARG 14 HN ARG 14 40.472 4.307 2.109 94 HA ARG 14 HA ARG 14 40.501 4.301 -0.825 95 HB2 ARG 14 HB2 ARG 14 38.341 5.278 1.042 96 HB3 ARG 14 HB1 ARG 14 38.192 5.019 -0.695 97 HG2 ARG 14 HG2 ARG 14 38.427 2.622 -0.393 98 HG3 ARG 14 HG1 ARG 14 38.656 2.846 1.346 99 HD2 ARG 14 HD2 ARG 14 36.408 3.824 1.498 100 HD3 ARG 14 HD1 ARG 14 36.183 3.556 -0.230 101 HE ARG 14 HE ARG 14 36.798 1.090 0.726 102 HH11 ARG 14 HH11 ARG 14 34.342 3.444 1.601 103 HH12 ARG 14 HH12 ARG 14 33.214 2.241 2.131 104 HH21 ARG 14 HH21 ARG 14 33.761 0.030 2.031 105 HH22 ARG 14 HH22 ARG 14 35.307 -0.466 1.426 106 H ARG 15 HN ARG 15 41.879 5.906 -1.454 107 HA ARG 15 HA ARG 15 41.054 8.642 -0.919 108 HB2 ARG 15 HB2 ARG 15 43.794 7.605 -0.178 109 HB3 ARG 15 HB1 ARG 15 43.459 9.314 -0.424 110 HG2 ARG 15 HG2 ARG 15 42.022 9.412 1.434 111 HG3 ARG 15 HG1 ARG 15 41.898 7.650 1.537 112 HD2 ARG 15 HD2 ARG 15 44.262 7.532 2.174 113 HD3 ARG 15 HD1 ARG 15 44.390 9.287 2.054 114 HE ARG 15 HE ARG 15 42.321 8.595 3.845 115 HH11 ARG 15 HH11 ARG 15 45.829 8.623 3.669 116 HH12 ARG 15 HH12 ARG 15 46.028 8.789 5.381 117 HH21 ARG 15 HH21 ARG 15 42.607 8.813 6.084 118 HH22 ARG 15 HH22 ARG 15 44.206 8.897 6.747 119 H GLY 16 HN GLY 16 41.330 9.946 -2.641 120 HA2 GLY 16 HA2 GLY 16 42.124 10.735 -4.673 121 HA3 GLY 16 HA1 GLY 16 43.309 9.433 -4.683 122 H THR 17 HN THR 17 39.981 8.626 -4.200 123 HA THR 17 HA THR 17 38.378 7.581 -5.415 124 HB THR 17 HB THR 17 39.650 8.186 -8.062 125 HG1 THR 17 HG1 THR 17 39.589 10.065 -6.367 126 HG21 THR 17 HG21 THR 17 36.807 8.336 -7.039 127 HG22 THR 17 HG22 THR 17 37.497 7.019 -7.989 128 HG23 THR 17 HG23 THR 17 37.319 8.622 -8.704 129 H PHE 18 HN PHE 18 41.102 6.350 -4.774 130 HA PHE 18 HA PHE 18 40.638 3.873 -6.253 131 HB2 PHE 18 HB2 PHE 18 43.061 3.523 -6.633 132 HB3 PHE 18 HB1 PHE 18 42.438 4.908 -7.513 133 HD1 PHE 18 HD1 PHE 18 43.185 7.140 -7.002 134 HD2 PHE 18 HD2 PHE 18 44.590 3.812 -4.757 135 HE1 PHE 18 HE1 PHE 18 44.978 8.537 -6.060 136 HE2 PHE 18 HE2 PHE 18 46.384 5.202 -3.808 137 HZ PHE 18 HZ PHE 18 46.579 7.569 -4.459 138 H CYS 19 HN CYS 19 40.876 2.050 -5.080 139 HA CYS 19 HA CYS 19 41.629 2.373 -2.255 140 HB2 CYS 19 HB2 CYS 19 39.999 0.192 -3.586 141 HB3 CYS 19 HB1 CYS 19 40.339 0.311 -1.858 142 H PHE 20 HN PHE 20 43.513 1.578 -1.600 143 HA PHE 20 HA PHE 20 44.635 -0.740 -3.001 144 HB2 PHE 20 HB2 PHE 20 46.855 0.224 -3.017 145 HB3 PHE 20 HB1 PHE 20 45.745 1.361 -3.777 146 HD1 PHE 20 HD1 PHE 20 48.100 0.799 -1.116 147 HD2 PHE 20 HD2 PHE 20 45.033 3.403 -2.501 148 HE1 PHE 20 HE1 PHE 20 48.904 2.551 0.412 149 HE2 PHE 20 HE2 PHE 20 45.831 5.161 -0.975 150 HZ PHE 20 HZ PHE 20 47.765 4.729 0.490 151 HA PRO 21 HA PRO 21 45.440 -2.298 1.121 152 HB2 PRO 21 HB2 PRO 21 47.930 -3.612 0.467 153 HB3 PRO 21 HB1 PRO 21 46.320 -4.338 0.649 154 HG2 PRO 21 HG2 PRO 21 47.650 -4.207 -1.719 155 HG3 PRO 21 HG1 PRO 21 45.881 -4.251 -1.581 156 HD2 PRO 21 HD2 PRO 21 47.680 -1.899 -2.041 157 HD3 PRO 21 HD1 PRO 21 46.118 -2.294 -2.794 158 H ASP 22 HN ASP 22 46.209 -1.476 2.908 159 HA ASP 22 HA ASP 22 48.940 -0.705 3.307 160 HB2 ASP 22 HB2 ASP 22 47.939 1.282 2.078 161 HB3 ASP 22 HB1 ASP 22 46.878 1.510 3.467 162 H ASP 23 HN ASP 23 45.626 -0.155 4.509 163 HA ASP 23 HA ASP 23 46.487 -0.528 7.263 164 HB2 ASP 23 HB2 ASP 23 44.838 1.271 6.385 165 HB3 ASP 23 HB1 ASP 23 43.655 -0.036 6.366 166 H ASP 24 HN ASP 24 45.574 -2.530 4.776 167 HA ASP 24 HA ASP 24 44.066 -4.413 6.430 168 HB2 ASP 24 HB2 ASP 24 43.555 -3.745 3.937 169 HB3 ASP 24 HB1 ASP 24 44.791 -4.944 3.570 170 H TYR 25 HN TYR 25 47.084 -4.226 4.567 171 HA TYR 25 HA TYR 25 48.100 -6.525 6.097 172 HB2 TYR 25 HB2 TYR 25 48.465 -5.944 3.154 173 HB3 TYR 25 HB1 TYR 25 49.490 -7.070 4.039 174 HD1 TYR 25 HD1 TYR 25 46.204 -6.514 2.565 175 HD2 TYR 25 HD2 TYR 25 48.565 -9.187 4.883 176 HE1 TYR 25 HE1 TYR 25 44.564 -8.302 2.164 177 HE2 TYR 25 HE2 TYR 25 46.934 -10.982 4.488 178 HH TYR 25 HH TYR 25 44.484 -10.759 2.153 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 27.707 12.643 -2.814 2 H2 PHE 1 HT2 PHE 1 26.075 12.420 -3.193 3 H3 PHE 1 HT3 PHE 1 26.997 13.541 -4.061 4 HA PHE 1 HA PHE 1 28.359 11.795 -4.970 5 HB2 PHE 1 HB2 PHE 1 26.543 10.024 -3.327 6 HB3 PHE 1 HB1 PHE 1 27.571 9.420 -4.620 7 HD1 PHE 1 HD1 PHE 1 27.480 10.779 -1.230 8 HD2 PHE 1 HD2 PHE 1 29.973 9.314 -4.353 9 HE1 PHE 1 HE1 PHE 1 29.345 10.569 0.361 10 HE2 PHE 1 HE2 PHE 1 31.841 9.102 -2.767 11 HZ PHE 1 HZ PHE 1 31.530 9.729 -0.406 12 H GLY 2 HN GLY 2 27.867 11.181 -7.024 13 HA2 GLY 2 HA2 GLY 2 25.060 11.553 -7.850 14 HA3 GLY 2 HA1 GLY 2 26.457 11.854 -8.874 15 H VAL 3 HN VAL 3 27.933 9.738 -8.933 16 HA VAL 3 HA VAL 3 26.226 7.387 -9.342 17 HB VAL 3 HB VAL 3 27.600 6.863 -11.435 18 HG11 VAL 3 HG11 VAL 3 25.248 7.447 -11.508 19 HG12 VAL 3 HG12 VAL 3 26.104 8.163 -12.873 20 HG13 VAL 3 HG13 VAL 3 25.653 9.164 -11.492 21 HG21 VAL 3 HG21 VAL 3 28.462 8.783 -12.702 22 HG22 VAL 3 HG22 VAL 3 29.347 8.559 -11.193 23 HG23 VAL 3 HG23 VAL 3 28.139 9.838 -11.325 24 H ARG 4 HN ARG 4 27.200 5.392 -9.079 25 HA ARG 4 HA ARG 4 29.899 5.446 -7.891 26 HB2 ARG 4 HB2 ARG 4 27.490 3.763 -7.219 27 HB3 ARG 4 HB1 ARG 4 29.111 3.325 -6.701 28 HG2 ARG 4 HG2 ARG 4 29.295 5.426 -5.472 29 HG3 ARG 4 HG1 ARG 4 27.675 5.880 -6.003 30 HD2 ARG 4 HD2 ARG 4 26.756 3.925 -4.850 31 HD3 ARG 4 HD1 ARG 4 28.376 3.475 -4.322 32 HE ARG 4 HE ARG 4 27.891 6.088 -3.471 33 HH11 ARG 4 HH11 ARG 4 26.232 3.252 -1.160 34 HH12 ARG 4 HH12 ARG 4 26.677 2.864 -2.790 35 HH21 ARG 4 HH21 ARG 4 27.301 6.572 -1.337 36 HH22 ARG 4 HH22 ARG 4 26.585 5.349 -0.340 37 H VAL 5 HN VAL 5 31.406 4.023 -8.584 38 HA VAL 5 HA VAL 5 30.635 1.916 -10.459 39 HB VAL 5 HB VAL 5 32.655 2.518 -11.907 40 HG11 VAL 5 HG11 VAL 5 30.247 4.330 -11.900 41 HG12 VAL 5 HG12 VAL 5 30.370 2.748 -12.672 42 HG13 VAL 5 HG13 VAL 5 31.349 4.094 -13.257 43 HG21 VAL 5 HG21 VAL 5 33.224 4.932 -12.000 44 HG22 VAL 5 HG22 VAL 5 33.745 4.162 -10.502 45 HG23 VAL 5 HG23 VAL 5 32.304 5.180 -10.516 46 H GLY 6 HN GLY 6 33.157 3.333 -8.444 47 HA2 GLY 6 HA2 GLY 6 34.552 0.741 -8.357 48 HA3 GLY 6 HA1 GLY 6 35.249 2.288 -7.900 49 H THR 7 HN THR 7 34.356 -0.535 -6.663 50 HA THR 7 HA THR 7 33.815 0.623 -4.028 51 HB THR 7 HB THR 7 31.617 -0.037 -4.783 52 HG1 THR 7 HG1 THR 7 32.194 -2.193 -3.105 53 HG21 THR 7 HG21 THR 7 32.196 -1.678 -6.504 54 HG22 THR 7 HG22 THR 7 31.037 -2.357 -5.359 55 HG23 THR 7 HG23 THR 7 32.741 -2.807 -5.261 56 H CYS 8 HN CYS 8 34.910 -0.284 -2.390 57 HA CYS 8 HA CYS 8 36.346 -2.805 -2.889 58 HB2 CYS 8 HB2 CYS 8 38.265 -1.871 -1.606 59 HB3 CYS 8 HB1 CYS 8 37.954 -1.012 -3.115 60 HA PRO 9 HA PRO 9 34.643 -4.233 0.977 61 HB2 PRO 9 HB2 PRO 9 36.665 -5.840 1.908 62 HB3 PRO 9 HB1 PRO 9 35.556 -6.311 0.602 63 HG2 PRO 9 HG2 PRO 9 38.326 -5.225 0.423 64 HG3 PRO 9 HG1 PRO 9 37.572 -6.553 -0.491 65 HD2 PRO 9 HD2 PRO 9 37.864 -4.111 -1.560 66 HD3 PRO 9 HD1 PRO 9 36.445 -5.115 -1.910 67 H SER 10 HN SER 10 34.983 -4.292 3.328 68 HA SER 10 HA SER 10 36.089 -1.855 4.302 69 HB2 SER 10 HB2 SER 10 35.005 -4.244 5.811 70 HB3 SER 10 HB1 SER 10 35.355 -2.667 6.519 71 HG SER 10 HG SER 10 33.364 -3.361 4.644 72 H GLY 11 HN GLY 11 37.849 -1.457 5.580 73 HA2 GLY 11 HA2 GLY 11 39.730 -2.057 6.910 74 HA3 GLY 11 HA1 GLY 11 39.677 -3.671 6.206 75 H TYR 12 HN TYR 12 39.465 -0.718 4.330 76 HA TYR 12 HA TYR 12 42.225 -1.054 3.372 77 HB2 TYR 12 HB2 TYR 12 39.742 -1.422 1.854 78 HB3 TYR 12 HB1 TYR 12 40.853 -0.271 1.106 79 HD1 TYR 12 HD1 TYR 12 42.986 -0.987 0.243 80 HD2 TYR 12 HD2 TYR 12 40.353 -3.771 2.086 81 HE1 TYR 12 HE1 TYR 12 44.314 -2.838 -0.675 82 HE2 TYR 12 HE2 TYR 12 41.672 -5.635 1.171 83 HH TYR 12 HH TYR 12 44.748 -5.213 -0.195 84 H VAL 13 HN VAL 13 42.960 0.880 2.063 85 HA VAL 13 HA VAL 13 41.933 3.323 3.338 86 HB VAL 13 HB VAL 13 44.552 2.954 1.845 87 HG11 VAL 13 HG11 VAL 13 43.787 5.278 1.838 88 HG12 VAL 13 HG12 VAL 13 45.205 5.085 2.867 89 HG13 VAL 13 HG13 VAL 13 43.604 5.231 3.592 90 HG21 VAL 13 HG21 VAL 13 44.700 1.632 3.809 91 HG22 VAL 13 HG22 VAL 13 43.931 2.879 4.790 92 HG23 VAL 13 HG23 VAL 13 45.554 3.137 4.151 93 H ARG 14 HN ARG 14 40.452 4.371 2.186 94 HA ARG 14 HA ARG 14 40.480 4.236 -0.745 95 HB2 ARG 14 HB2 ARG 14 38.347 5.319 1.094 96 HB3 ARG 14 HB1 ARG 14 38.189 5.044 -0.641 97 HG2 ARG 14 HG2 ARG 14 38.389 2.636 -0.300 98 HG3 ARG 14 HG1 ARG 14 38.577 2.894 1.441 99 HD2 ARG 14 HD2 ARG 14 36.344 3.930 1.502 100 HD3 ARG 14 HD1 ARG 14 36.161 3.606 -0.220 101 HE ARG 14 HE ARG 14 36.741 1.181 0.971 102 HH11 ARG 14 HH11 ARG 14 34.162 3.553 1.199 103 HH12 ARG 14 HH12 ARG 14 32.964 2.379 1.634 104 HH21 ARG 14 HH21 ARG 14 33.530 0.179 1.829 105 HH22 ARG 14 HH22 ARG 14 35.157 -0.338 1.544 106 H ARG 15 HN ARG 15 41.895 5.775 -1.439 107 HA ARG 15 HA ARG 15 41.131 8.551 -1.052 108 HB2 ARG 15 HB2 ARG 15 43.843 7.499 -0.230 109 HB3 ARG 15 HB1 ARG 15 43.542 9.198 -0.565 110 HG2 ARG 15 HG2 ARG 15 42.090 9.414 1.275 111 HG3 ARG 15 HG1 ARG 15 41.940 7.662 1.468 112 HD2 ARG 15 HD2 ARG 15 44.299 7.546 2.124 113 HD3 ARG 15 HD1 ARG 15 44.450 9.290 1.918 114 HE ARG 15 HE ARG 15 42.363 8.737 3.724 115 HH11 ARG 15 HH11 ARG 15 45.871 8.625 3.583 116 HH12 ARG 15 HH12 ARG 15 46.060 8.855 5.289 117 HH21 ARG 15 HH21 ARG 15 42.636 9.037 5.953 118 HH22 ARG 15 HH22 ARG 15 44.230 9.088 6.630 119 H GLY 16 HN GLY 16 41.484 9.766 -2.829 120 HA2 GLY 16 HA2 GLY 16 42.331 10.422 -4.888 121 HA3 GLY 16 HA1 GLY 16 43.461 9.072 -4.820 122 H THR 17 HN THR 17 39.936 8.978 -4.590 123 HA THR 17 HA THR 17 38.303 7.901 -5.711 124 HB THR 17 HB THR 17 38.320 7.934 -8.197 125 HG1 THR 17 HG1 THR 17 40.563 9.521 -8.352 126 HG21 THR 17 HG21 THR 17 39.104 10.534 -6.876 127 HG22 THR 17 HG22 THR 17 37.480 9.853 -6.947 128 HG23 THR 17 HG23 THR 17 38.282 10.374 -8.428 129 H PHE 18 HN PHE 18 40.780 6.301 -4.885 130 HA PHE 18 HA PHE 18 39.832 3.790 -5.926 131 HB2 PHE 18 HB2 PHE 18 42.194 3.024 -6.578 132 HB3 PHE 18 HB1 PHE 18 41.337 4.044 -7.716 133 HD1 PHE 18 HD1 PHE 18 43.729 4.437 -4.846 134 HD2 PHE 18 HD2 PHE 18 42.559 5.677 -8.751 135 HE1 PHE 18 HE1 PHE 18 45.675 5.937 -4.952 136 HE2 PHE 18 HE2 PHE 18 44.501 7.181 -8.855 137 HZ PHE 18 HZ PHE 18 46.062 7.312 -6.956 138 H CYS 19 HN CYS 19 40.531 1.970 -4.751 139 HA CYS 19 HA CYS 19 41.523 2.630 -2.068 140 HB2 CYS 19 HB2 CYS 19 40.256 0.039 -2.976 141 HB3 CYS 19 HB1 CYS 19 40.494 0.597 -1.319 142 H PHE 20 HN PHE 20 43.429 1.875 -1.313 143 HA PHE 20 HA PHE 20 44.841 -0.135 -2.915 144 HB2 PHE 20 HB2 PHE 20 46.940 1.068 -2.673 145 HB3 PHE 20 HB1 PHE 20 45.733 2.141 -3.381 146 HD1 PHE 20 HD1 PHE 20 47.996 1.580 -0.640 147 HD2 PHE 20 HD2 PHE 20 44.679 3.908 -1.942 148 HE1 PHE 20 HE1 PHE 20 48.459 3.221 1.131 149 HE2 PHE 20 HE2 PHE 20 45.139 5.556 -0.172 150 HZ PHE 20 HZ PHE 20 47.028 5.206 1.370 151 HA PRO 21 HA PRO 21 45.671 -2.094 1.039 152 HB2 PRO 21 HB2 PRO 21 48.240 -3.173 0.232 153 HB3 PRO 21 HB1 PRO 21 46.683 -4.017 0.369 154 HG2 PRO 21 HG2 PRO 21 47.926 -3.593 -1.997 155 HG3 PRO 21 HG1 PRO 21 46.162 -3.702 -1.825 156 HD2 PRO 21 HD2 PRO 21 47.884 -1.254 -2.044 157 HD3 PRO 21 HD1 PRO 21 46.347 -1.630 -2.853 158 H ASP 22 HN ASP 22 46.505 -1.609 2.927 159 HA ASP 22 HA ASP 22 49.144 -0.674 3.420 160 HB2 ASP 22 HB2 ASP 22 47.957 1.396 2.455 161 HB3 ASP 22 HB1 ASP 22 47.000 1.397 3.935 162 H ASP 23 HN ASP 23 45.796 -0.537 4.631 163 HA ASP 23 HA ASP 23 46.608 -1.060 7.356 164 HB2 ASP 23 HB2 ASP 23 44.688 0.470 6.579 165 HB3 ASP 23 HB1 ASP 23 43.777 -1.011 6.307 166 H ASP 24 HN ASP 24 45.324 -2.832 4.615 167 HA ASP 24 HA ASP 24 45.635 -5.334 6.093 168 HB2 ASP 24 HB2 ASP 24 43.095 -4.494 4.689 169 HB3 ASP 24 HB1 ASP 24 43.471 -6.180 5.033 170 H TYR 25 HN TYR 25 47.111 -6.400 4.941 171 HA TYR 25 HA TYR 25 47.123 -6.159 2.017 172 HB2 TYR 25 HB2 TYR 25 49.234 -7.083 3.973 173 HB3 TYR 25 HB1 TYR 25 49.406 -7.246 2.230 174 HD1 TYR 25 HD1 TYR 25 49.353 -4.904 5.043 175 HD2 TYR 25 HD2 TYR 25 49.769 -5.290 0.827 176 HE1 TYR 25 HE1 TYR 25 50.247 -2.617 4.928 177 HE2 TYR 25 HE2 TYR 25 50.664 -3.005 0.701 178 HH TYR 25 HH TYR 25 51.660 -1.264 3.433 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 24.857 -9.838 -0.526 2 H2 PHE 1 HT2 PHE 1 26.256 -8.891 -0.443 3 H3 PHE 1 HT3 PHE 1 25.229 -9.001 0.897 4 HA PHE 1 HA PHE 1 25.726 -11.327 1.153 5 HB2 PHE 1 HB2 PHE 1 27.484 -10.849 -1.257 6 HB3 PHE 1 HB1 PHE 1 27.632 -12.263 -0.220 7 HD1 PHE 1 HD1 PHE 1 25.599 -10.578 -2.745 8 HD2 PHE 1 HD2 PHE 1 25.947 -13.999 -0.238 9 HE1 PHE 1 HE1 PHE 1 23.864 -11.717 -4.066 10 HE2 PHE 1 HE2 PHE 1 24.213 -15.146 -1.555 11 HZ PHE 1 HZ PHE 1 23.170 -14.005 -3.473 12 H GLY 2 HN GLY 2 27.988 -8.737 0.284 13 HA2 GLY 2 HA2 GLY 2 29.404 -9.230 2.832 14 HA3 GLY 2 HA1 GLY 2 30.272 -8.849 1.352 15 H VAL 3 HN VAL 3 29.050 -6.792 0.253 16 HA VAL 3 HA VAL 3 28.714 -4.744 2.331 17 HB VAL 3 HB VAL 3 29.995 -3.134 0.810 18 HG11 VAL 3 HG11 VAL 3 32.155 -3.759 1.787 19 HG12 VAL 3 HG12 VAL 3 31.492 -5.335 2.220 20 HG13 VAL 3 HG13 VAL 3 30.839 -3.872 2.956 21 HG21 VAL 3 HG21 VAL 3 31.099 -5.720 -0.306 22 HG22 VAL 3 HG22 VAL 3 31.758 -4.109 -0.597 23 HG23 VAL 3 HG23 VAL 3 30.151 -4.527 -1.195 24 H ARG 4 HN ARG 4 27.525 -2.887 1.725 25 HA ARG 4 HA ARG 4 25.618 -3.417 -0.426 26 HB2 ARG 4 HB2 ARG 4 24.324 -1.495 0.685 27 HB3 ARG 4 HB1 ARG 4 24.416 -3.025 1.538 28 HG2 ARG 4 HG2 ARG 4 26.098 -2.143 3.030 29 HG3 ARG 4 HG1 ARG 4 26.164 -0.638 2.118 30 HD2 ARG 4 HD2 ARG 4 23.831 -0.183 2.695 31 HD3 ARG 4 HD1 ARG 4 23.759 -1.696 3.596 32 HE ARG 4 HE ARG 4 25.876 -0.134 4.585 33 HH11 ARG 4 HH11 ARG 4 22.242 0.711 6.073 34 HH12 ARG 4 HH12 ARG 4 22.365 -0.150 4.575 35 HH21 ARG 4 HH21 ARG 4 25.692 0.990 6.545 36 HH22 ARG 4 HH22 ARG 4 24.125 1.356 7.186 37 H VAL 5 HN VAL 5 27.754 -0.847 0.738 38 HA VAL 5 HA VAL 5 27.739 0.293 -1.968 39 HB VAL 5 HB VAL 5 27.978 2.605 -0.923 40 HG11 VAL 5 HG11 VAL 5 25.550 2.912 -0.745 41 HG12 VAL 5 HG12 VAL 5 25.343 1.162 -0.681 42 HG13 VAL 5 HG13 VAL 5 25.998 1.921 -2.133 43 HG21 VAL 5 HG21 VAL 5 26.504 1.493 1.443 44 HG22 VAL 5 HG22 VAL 5 27.293 3.059 1.259 45 HG23 VAL 5 HG23 VAL 5 28.264 1.599 1.448 46 H GLY 6 HN GLY 6 29.693 0.316 -2.796 47 HA2 GLY 6 HA2 GLY 6 31.960 1.477 -2.178 48 HA3 GLY 6 HA1 GLY 6 32.024 0.156 -1.022 49 H THR 7 HN THR 7 33.983 0.534 -2.944 50 HA THR 7 HA THR 7 33.471 -1.473 -5.018 51 HB THR 7 HB THR 7 35.753 -0.739 -5.880 52 HG1 THR 7 HG1 THR 7 36.216 1.502 -5.080 53 HG21 THR 7 HG21 THR 7 33.669 0.011 -6.916 54 HG22 THR 7 HG22 THR 7 34.871 1.300 -6.922 55 HG23 THR 7 HG23 THR 7 33.554 1.329 -5.750 56 H CYS 8 HN CYS 8 35.749 -0.743 -2.411 57 HA CYS 8 HA CYS 8 36.765 -3.502 -2.560 58 HB2 CYS 8 HB2 CYS 8 38.733 -2.634 -1.289 59 HB3 CYS 8 HB1 CYS 8 38.531 -1.883 -2.874 60 HA PRO 9 HA PRO 9 34.879 -4.523 1.348 61 HB2 PRO 9 HB2 PRO 9 36.805 -6.132 2.481 62 HB3 PRO 9 HB1 PRO 9 35.691 -6.669 1.206 63 HG2 PRO 9 HG2 PRO 9 38.514 -5.740 0.975 64 HG3 PRO 9 HG1 PRO 9 37.708 -7.113 0.179 65 HD2 PRO 9 HD2 PRO 9 38.133 -4.819 -1.125 66 HD3 PRO 9 HD1 PRO 9 36.648 -5.757 -1.377 67 H SER 10 HN SER 10 35.150 -4.399 3.708 68 HA SER 10 HA SER 10 36.196 -1.922 4.545 69 HB2 SER 10 HB2 SER 10 34.277 -3.153 5.602 70 HB3 SER 10 HB1 SER 10 35.451 -4.250 6.327 71 HG SER 10 HG SER 10 35.818 -1.504 6.686 72 H GLY 11 HN GLY 11 37.995 -1.323 5.642 73 HA2 GLY 11 HA2 GLY 11 39.951 -1.709 6.954 74 HA3 GLY 11 HA1 GLY 11 39.979 -3.369 6.367 75 H TYR 12 HN TYR 12 39.531 -0.529 4.344 76 HA TYR 12 HA TYR 12 42.238 -0.856 3.241 77 HB2 TYR 12 HB2 TYR 12 39.621 -1.050 1.844 78 HB3 TYR 12 HB1 TYR 12 40.906 -0.174 1.007 79 HD1 TYR 12 HD1 TYR 12 39.807 -3.442 2.259 80 HD2 TYR 12 HD2 TYR 12 42.881 -1.321 0.224 81 HE1 TYR 12 HE1 TYR 12 40.775 -5.575 1.505 82 HE2 TYR 12 HE2 TYR 12 43.857 -3.441 -0.532 83 HH TYR 12 HH TYR 12 43.868 -5.811 0.138 84 H VAL 13 HN VAL 13 42.996 1.028 1.994 85 HA VAL 13 HA VAL 13 41.983 3.513 3.195 86 HB VAL 13 HB VAL 13 44.644 3.024 1.814 87 HG11 VAL 13 HG11 VAL 13 45.316 5.197 2.739 88 HG12 VAL 13 HG12 VAL 13 43.687 5.431 3.371 89 HG13 VAL 13 HG13 VAL 13 43.956 5.362 1.630 90 HG21 VAL 13 HG21 VAL 13 44.484 1.822 3.931 91 HG22 VAL 13 HG22 VAL 13 44.012 3.311 4.750 92 HG23 VAL 13 HG23 VAL 13 45.624 3.163 4.051 93 H ARG 14 HN ARG 14 40.416 4.340 1.960 94 HA ARG 14 HA ARG 14 40.666 4.333 -0.966 95 HB2 ARG 14 HB2 ARG 14 38.315 5.090 0.771 96 HB3 ARG 14 HB1 ARG 14 38.296 4.942 -0.986 97 HG2 ARG 14 HG2 ARG 14 38.740 2.538 -0.793 98 HG3 ARG 14 HG1 ARG 14 38.743 2.685 0.969 99 HD2 ARG 14 HD2 ARG 14 36.395 3.489 -0.737 100 HD3 ARG 14 HD1 ARG 14 36.595 1.856 -0.103 101 HE ARG 14 HE ARG 14 36.834 3.588 2.052 102 HH11 ARG 14 HH11 ARG 14 34.329 2.718 -0.252 103 HH12 ARG 14 HH12 ARG 14 33.037 3.061 0.850 104 HH21 ARG 14 HH21 ARG 14 33.489 3.801 2.958 105 HH22 ARG 14 HH22 ARG 14 35.126 4.028 3.476 106 H ARG 15 HN ARG 15 41.966 6.038 -1.492 107 HA ARG 15 HA ARG 15 40.906 8.703 -1.013 108 HB2 ARG 15 HB2 ARG 15 43.680 7.882 -0.127 109 HB3 ARG 15 HB1 ARG 15 43.194 9.557 -0.344 110 HG2 ARG 15 HG2 ARG 15 41.481 7.868 1.401 111 HG3 ARG 15 HG1 ARG 15 43.079 8.323 2.018 112 HD2 ARG 15 HD2 ARG 15 42.554 10.687 1.618 113 HD3 ARG 15 HD1 ARG 15 40.964 10.228 1.008 114 HE ARG 15 HE ARG 15 41.272 9.170 3.584 115 HH11 ARG 15 HH11 ARG 15 40.912 12.312 2.058 116 HH12 ARG 15 HH12 ARG 15 40.166 13.029 3.447 117 HH21 ARG 15 HH21 ARG 15 40.293 10.128 5.390 118 HH22 ARG 15 HH22 ARG 15 39.816 11.792 5.331 119 H GLY 16 HN GLY 16 41.240 10.068 -2.683 120 HA2 GLY 16 HA2 GLY 16 42.109 10.923 -4.657 121 HA3 GLY 16 HA1 GLY 16 43.350 9.674 -4.618 122 H THR 17 HN THR 17 39.905 9.046 -4.444 123 HA THR 17 HA THR 17 38.421 7.913 -5.699 124 HB THR 17 HB THR 17 38.407 8.131 -8.152 125 HG1 THR 17 HG1 THR 17 40.926 9.388 -7.742 126 HG21 THR 17 HG21 THR 17 38.173 10.571 -8.258 127 HG22 THR 17 HG22 THR 17 39.002 10.715 -6.708 128 HG23 THR 17 HG23 THR 17 37.436 9.910 -6.798 129 H PHE 18 HN PHE 18 41.062 6.610 -4.902 130 HA PHE 18 HA PHE 18 40.559 4.130 -6.354 131 HB2 PHE 18 HB2 PHE 18 43.020 3.669 -6.573 132 HB3 PHE 18 HB1 PHE 18 42.416 4.934 -7.625 133 HD1 PHE 18 HD1 PHE 18 44.165 4.446 -4.357 134 HD2 PHE 18 HD2 PHE 18 43.536 6.953 -7.740 135 HE1 PHE 18 HE1 PHE 18 45.960 5.938 -3.582 136 HE2 PHE 18 HE2 PHE 18 45.326 8.449 -6.966 137 HZ PHE 18 HZ PHE 18 46.542 7.943 -4.886 138 H CYS 19 HN CYS 19 40.964 2.257 -5.224 139 HA CYS 19 HA CYS 19 41.537 2.612 -2.355 140 HB2 CYS 19 HB2 CYS 19 39.257 1.774 -2.947 141 HB3 CYS 19 HB1 CYS 19 40.009 0.363 -3.693 142 H PHE 20 HN PHE 20 43.374 1.772 -1.600 143 HA PHE 20 HA PHE 20 44.617 -0.438 -3.080 144 HB2 PHE 20 HB2 PHE 20 46.825 0.553 -2.770 145 HB3 PHE 20 HB1 PHE 20 45.766 1.701 -3.588 146 HD1 PHE 20 HD1 PHE 20 44.786 3.607 -2.245 147 HD2 PHE 20 HD2 PHE 20 47.870 1.085 -0.746 148 HE1 PHE 20 HE1 PHE 20 45.323 5.287 -0.529 149 HE2 PHE 20 HE2 PHE 20 48.414 2.763 0.967 150 HZ PHE 20 HZ PHE 20 47.136 4.858 1.083 151 HA PRO 21 HA PRO 21 45.129 -2.302 0.970 152 HB2 PRO 21 HB2 PRO 21 47.522 -3.762 0.337 153 HB3 PRO 21 HB1 PRO 21 45.848 -4.355 0.317 154 HG2 PRO 21 HG2 PRO 21 47.413 -4.089 -1.914 155 HG3 PRO 21 HG1 PRO 21 45.639 -4.074 -1.922 156 HD2 PRO 21 HD2 PRO 21 47.548 -1.768 -2.024 157 HD3 PRO 21 HD1 PRO 21 46.032 -2.025 -2.916 158 H ASP 22 HN ASP 22 45.907 -1.715 2.843 159 HA ASP 22 HA ASP 22 48.672 -1.099 3.332 160 HB2 ASP 22 HB2 ASP 22 47.744 1.036 2.332 161 HB3 ASP 22 HB1 ASP 22 46.662 1.135 3.717 162 H ASP 23 HN ASP 23 45.373 -0.580 4.599 163 HA ASP 23 HA ASP 23 46.219 -1.282 7.292 164 HB2 ASP 23 HB2 ASP 23 44.620 0.645 6.637 165 HB3 ASP 23 HB1 ASP 23 43.405 -0.613 6.446 166 H ASP 24 HN ASP 24 45.183 -2.945 4.586 167 HA ASP 24 HA ASP 24 43.714 -4.997 6.077 168 HB2 ASP 24 HB2 ASP 24 43.016 -3.990 3.760 169 HB3 ASP 24 HB1 ASP 24 44.210 -5.114 3.119 170 H TYR 25 HN TYR 25 46.600 -4.590 4.053 171 HA TYR 25 HA TYR 25 47.483 -7.304 4.725 172 HB2 TYR 25 HB2 TYR 25 47.467 -6.314 2.316 173 HB3 TYR 25 HB1 TYR 25 48.918 -5.461 2.828 174 HD1 TYR 25 HD1 TYR 25 47.476 -8.731 2.022 175 HD2 TYR 25 HD2 TYR 25 50.991 -6.665 3.236 176 HE1 TYR 25 HE1 TYR 25 48.823 -10.718 1.485 177 HE2 TYR 25 HE2 TYR 25 52.347 -8.645 2.701 178 HH TYR 25 HH TYR 25 52.049 -11.073 2.470 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 38.220 11.145 -19.466 2 H2 PHE 1 HT2 PHE 1 38.521 9.554 -19.955 3 H3 PHE 1 HT3 PHE 1 38.323 9.911 -18.313 4 HA PHE 1 HA PHE 1 36.036 10.525 -18.669 5 HB2 PHE 1 HB2 PHE 1 36.670 9.797 -21.534 6 HB3 PHE 1 HB1 PHE 1 35.030 9.963 -20.918 7 HD1 PHE 1 HD1 PHE 1 38.088 11.729 -21.854 8 HD2 PHE 1 HD2 PHE 1 34.125 12.138 -20.361 9 HE1 PHE 1 HE1 PHE 1 38.170 14.145 -22.311 10 HE2 PHE 1 HE2 PHE 1 34.199 14.555 -20.815 11 HZ PHE 1 HZ PHE 1 36.224 15.560 -21.791 12 H GLY 2 HN GLY 2 34.553 9.000 -18.118 13 HA2 GLY 2 HA2 GLY 2 33.785 6.638 -18.678 14 HA3 GLY 2 HA1 GLY 2 35.445 6.192 -18.308 15 H VAL 3 HN VAL 3 32.936 5.328 -17.064 16 HA VAL 3 HA VAL 3 33.641 5.971 -14.293 17 HB VAL 3 HB VAL 3 31.149 5.911 -13.716 18 HG11 VAL 3 HG11 VAL 3 30.883 8.310 -14.148 19 HG12 VAL 3 HG12 VAL 3 32.251 8.252 -15.260 20 HG13 VAL 3 HG13 VAL 3 32.493 7.918 -13.545 21 HG21 VAL 3 HG21 VAL 3 30.270 5.116 -15.856 22 HG22 VAL 3 HG22 VAL 3 30.874 6.566 -16.656 23 HG23 VAL 3 HG23 VAL 3 29.594 6.694 -15.451 24 H ARG 4 HN ARG 4 34.067 4.191 -13.216 25 HA ARG 4 HA ARG 4 32.917 1.641 -14.122 26 HB2 ARG 4 HB2 ARG 4 35.415 2.297 -12.567 27 HB3 ARG 4 HB1 ARG 4 34.778 0.661 -12.669 28 HG2 ARG 4 HG2 ARG 4 35.013 0.716 -15.099 29 HG3 ARG 4 HG1 ARG 4 35.642 2.362 -15.001 30 HD2 ARG 4 HD2 ARG 4 37.525 1.559 -13.660 31 HD3 ARG 4 HD1 ARG 4 36.895 -0.085 -13.757 32 HE ARG 4 HE ARG 4 37.208 0.885 -16.361 33 HH11 ARG 4 HH11 ARG 4 40.583 -0.465 -14.651 34 HH12 ARG 4 HH12 ARG 4 39.245 -0.019 -13.647 35 HH21 ARG 4 HH21 ARG 4 38.972 0.294 -17.656 36 HH22 ARG 4 HH22 ARG 4 40.427 -0.288 -16.920 37 H VAL 5 HN VAL 5 31.965 0.211 -12.685 38 HA VAL 5 HA VAL 5 31.114 1.401 -10.134 39 HB VAL 5 HB VAL 5 29.314 0.944 -11.811 40 HG11 VAL 5 HG11 VAL 5 28.522 -1.361 -12.148 41 HG12 VAL 5 HG12 VAL 5 29.963 -1.958 -11.326 42 HG13 VAL 5 HG13 VAL 5 30.116 -1.080 -12.847 43 HG21 VAL 5 HG21 VAL 5 29.099 -0.589 -9.226 44 HG22 VAL 5 HG22 VAL 5 27.742 -0.098 -10.239 45 HG23 VAL 5 HG23 VAL 5 28.752 1.124 -9.467 46 H GLY 6 HN GLY 6 31.211 0.230 -8.234 47 HA2 GLY 6 HA2 GLY 6 31.551 -2.321 -7.588 48 HA3 GLY 6 HA1 GLY 6 33.148 -1.953 -8.223 49 H THR 7 HN THR 7 31.880 -2.550 -5.464 50 HA THR 7 HA THR 7 32.840 -0.213 -3.974 51 HB THR 7 HB THR 7 31.897 -1.481 -1.973 52 HG1 THR 7 HG1 THR 7 30.123 -2.916 -3.388 53 HG21 THR 7 HG21 THR 7 30.717 0.398 -2.998 54 HG22 THR 7 HG22 THR 7 29.581 -0.843 -2.470 55 HG23 THR 7 HG23 THR 7 29.989 -0.693 -4.179 56 H CYS 8 HN CYS 8 34.424 -0.349 -2.384 57 HA CYS 8 HA CYS 8 36.370 -2.465 -2.762 58 HB2 CYS 8 HB2 CYS 8 36.503 0.076 -1.126 59 HB3 CYS 8 HB1 CYS 8 37.847 -1.003 -1.468 60 HA PRO 9 HA PRO 9 35.360 -4.711 0.969 61 HB2 PRO 9 HB2 PRO 9 37.839 -5.595 1.753 62 HB3 PRO 9 HB1 PRO 9 36.917 -6.312 0.413 63 HG2 PRO 9 HG2 PRO 9 39.147 -4.338 0.324 64 HG3 PRO 9 HG1 PRO 9 38.855 -5.760 -0.705 65 HD2 PRO 9 HD2 PRO 9 38.272 -3.270 -1.537 66 HD3 PRO 9 HD1 PRO 9 37.278 -4.667 -1.995 67 H SER 10 HN SER 10 35.773 -4.826 3.308 68 HA SER 10 HA SER 10 36.174 -2.195 4.420 69 HB2 SER 10 HB2 SER 10 35.510 -4.826 5.759 70 HB3 SER 10 HB1 SER 10 35.495 -3.252 6.552 71 HG SER 10 HG SER 10 33.533 -4.380 5.230 72 H GLY 11 HN GLY 11 37.845 -1.443 5.573 73 HA2 GLY 11 HA2 GLY 11 39.741 -1.595 6.985 74 HA3 GLY 11 HA1 GLY 11 39.942 -3.276 6.496 75 H TYR 12 HN TYR 12 39.408 -0.705 4.185 76 HA TYR 12 HA TYR 12 42.214 -0.922 3.306 77 HB2 TYR 12 HB2 TYR 12 39.678 -1.211 1.812 78 HB3 TYR 12 HB1 TYR 12 40.912 -0.228 1.021 79 HD1 TYR 12 HD1 TYR 12 40.103 -3.594 2.284 80 HD2 TYR 12 HD2 TYR 12 42.919 -1.206 0.176 81 HE1 TYR 12 HE1 TYR 12 41.247 -5.633 1.514 82 HE2 TYR 12 HE2 TYR 12 44.074 -3.231 -0.594 83 HH TYR 12 HH TYR 12 42.724 -6.334 -0.321 84 H VAL 13 HN VAL 13 42.974 0.964 1.996 85 HA VAL 13 HA VAL 13 41.961 3.443 3.205 86 HB VAL 13 HB VAL 13 44.611 2.955 1.809 87 HG11 VAL 13 HG11 VAL 13 45.281 5.139 2.738 88 HG12 VAL 13 HG12 VAL 13 43.638 5.378 3.332 89 HG13 VAL 13 HG13 VAL 13 43.943 5.288 1.598 90 HG21 VAL 13 HG21 VAL 13 43.949 3.217 4.740 91 HG22 VAL 13 HG22 VAL 13 45.580 3.171 4.074 92 HG23 VAL 13 HG23 VAL 13 44.522 1.769 3.913 93 H ARG 14 HN ARG 14 40.426 4.346 2.001 94 HA ARG 14 HA ARG 14 40.588 4.283 -0.929 95 HB2 ARG 14 HB2 ARG 14 38.319 5.197 0.841 96 HB3 ARG 14 HB1 ARG 14 38.248 4.949 -0.902 97 HG2 ARG 14 HG2 ARG 14 38.590 2.546 -0.589 98 HG3 ARG 14 HG1 ARG 14 38.666 2.787 1.162 99 HD2 ARG 14 HD2 ARG 14 36.290 3.599 -0.498 100 HD3 ARG 14 HD1 ARG 14 36.447 1.995 0.216 101 HE ARG 14 HE ARG 14 36.837 3.849 2.253 102 HH11 ARG 14 HH11 ARG 14 34.216 2.880 0.127 103 HH12 ARG 14 HH12 ARG 14 32.981 3.317 1.261 104 HH21 ARG 14 HH21 ARG 14 33.543 4.183 3.294 105 HH22 ARG 14 HH22 ARG 14 35.205 4.413 3.722 106 H ARG 15 HN ARG 15 41.931 5.932 -1.532 107 HA ARG 15 HA ARG 15 40.985 8.641 -1.047 108 HB2 ARG 15 HB2 ARG 15 43.756 7.716 -0.269 109 HB3 ARG 15 HB1 ARG 15 43.341 9.409 -0.504 110 HG2 ARG 15 HG2 ARG 15 41.900 9.433 1.344 111 HG3 ARG 15 HG1 ARG 15 41.810 7.667 1.411 112 HD2 ARG 15 HD2 ARG 15 44.171 7.589 2.078 113 HD3 ARG 15 HD1 ARG 15 44.255 9.349 2.006 114 HE ARG 15 HE ARG 15 42.177 8.634 3.739 115 HH11 ARG 15 HH11 ARG 15 45.684 8.466 3.639 116 HH12 ARG 15 HH12 ARG 15 45.849 8.529 5.362 117 HH21 ARG 15 HH21 ARG 15 42.417 8.715 5.991 118 HH22 ARG 15 HH22 ARG 15 44.001 8.670 6.692 119 H GLY 16 HN GLY 16 41.303 9.985 -2.739 120 HA2 GLY 16 HA2 GLY 16 42.106 10.785 -4.765 121 HA3 GLY 16 HA1 GLY 16 43.286 9.476 -4.780 122 H THR 17 HN THR 17 39.924 8.752 -4.320 123 HA THR 17 HA THR 17 38.309 7.734 -5.540 124 HB THR 17 HB THR 17 39.645 8.248 -8.176 125 HG1 THR 17 HG1 THR 17 38.841 10.185 -6.325 126 HG21 THR 17 HG21 THR 17 37.453 7.147 -8.115 127 HG22 THR 17 HG22 THR 17 37.341 8.738 -8.870 128 HG23 THR 17 HG23 THR 17 36.790 8.508 -7.210 129 H PHE 18 HN PHE 18 40.983 6.431 -4.827 130 HA PHE 18 HA PHE 18 40.459 3.937 -6.256 131 HB2 PHE 18 HB2 PHE 18 42.875 3.506 -6.613 132 HB3 PHE 18 HB1 PHE 18 42.295 4.884 -7.532 133 HD1 PHE 18 HD1 PHE 18 43.133 7.091 -7.115 134 HD2 PHE 18 HD2 PHE 18 44.376 3.817 -4.700 135 HE1 PHE 18 HE1 PHE 18 44.961 8.463 -6.203 136 HE2 PHE 18 HE2 PHE 18 46.204 5.182 -3.780 137 HZ PHE 18 HZ PHE 18 46.498 7.509 -4.531 138 H CYS 19 HN CYS 19 41.005 2.057 -5.147 139 HA CYS 19 HA CYS 19 41.549 2.432 -2.277 140 HB2 CYS 19 HB2 CYS 19 40.169 0.116 -3.660 141 HB3 CYS 19 HB1 CYS 19 40.384 0.304 -1.918 142 H PHE 20 HN PHE 20 43.420 1.688 -1.493 143 HA PHE 20 HA PHE 20 44.813 -0.420 -2.981 144 HB2 PHE 20 HB2 PHE 20 46.951 0.696 -2.683 145 HB3 PHE 20 HB1 PHE 20 45.825 1.798 -3.474 146 HD1 PHE 20 HD1 PHE 20 44.778 3.645 -2.118 147 HD2 PHE 20 HD2 PHE 20 47.961 1.237 -0.640 148 HE1 PHE 20 HE1 PHE 20 45.242 5.327 -0.383 149 HE2 PHE 20 HE2 PHE 20 48.431 2.915 1.094 150 HZ PHE 20 HZ PHE 20 47.068 4.955 1.230 151 HA PRO 21 HA PRO 21 45.395 -2.289 1.057 152 HB2 PRO 21 HB2 PRO 21 47.905 -3.560 0.409 153 HB3 PRO 21 HB1 PRO 21 46.284 -4.286 0.437 154 HG2 PRO 21 HG2 PRO 21 47.751 -3.947 -1.835 155 HG3 PRO 21 HG1 PRO 21 45.978 -4.012 -1.799 156 HD2 PRO 21 HD2 PRO 21 47.774 -1.619 -1.947 157 HD3 PRO 21 HD1 PRO 21 46.264 -1.959 -2.821 158 H ASP 22 HN ASP 22 46.164 -1.736 2.956 159 HA ASP 22 HA ASP 22 48.854 -0.925 3.478 160 HB2 ASP 22 HB2 ASP 22 47.793 1.154 2.440 161 HB3 ASP 22 HB1 ASP 22 46.756 1.223 3.863 162 H ASP 23 HN ASP 23 45.500 -0.630 4.660 163 HA ASP 23 HA ASP 23 46.323 -1.192 7.390 164 HB2 ASP 23 HB2 ASP 23 44.599 0.579 6.680 165 HB3 ASP 23 HB1 ASP 23 43.499 -0.768 6.413 166 H ASP 24 HN ASP 24 45.298 -2.923 4.656 167 HA ASP 24 HA ASP 24 44.672 -5.266 6.322 168 HB2 ASP 24 HB2 ASP 24 42.688 -4.139 5.044 169 HB3 ASP 24 HB1 ASP 24 43.396 -4.897 3.623 170 H TYR 25 HN TYR 25 46.523 -6.388 6.158 171 HA TYR 25 HA TYR 25 47.887 -6.659 3.595 172 HB2 TYR 25 HB2 TYR 25 48.640 -7.505 6.396 173 HB3 TYR 25 HB1 TYR 25 49.605 -7.896 4.979 174 HD1 TYR 25 HD1 TYR 25 50.808 -6.131 3.770 175 HD2 TYR 25 HD2 TYR 25 48.597 -5.272 7.302 176 HE1 TYR 25 HE1 TYR 25 51.968 -3.972 3.964 177 HE2 TYR 25 HE2 TYR 25 49.750 -3.110 7.505 178 HH TYR 25 HH TYR 25 51.604 -1.772 4.998 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 44.554 -10.730 -20.666 2 H2 PHE 1 HT2 PHE 1 43.289 -9.974 -19.835 3 H3 PHE 1 HT3 PHE 1 44.730 -10.342 -19.028 4 HA PHE 1 HA PHE 1 45.949 -8.789 -20.375 5 HB2 PHE 1 HB2 PHE 1 44.205 -9.145 -22.297 6 HB3 PHE 1 HB1 PHE 1 43.357 -7.808 -21.534 7 HD1 PHE 1 HD1 PHE 1 44.270 -5.568 -21.578 8 HD2 PHE 1 HD2 PHE 1 46.327 -8.810 -23.411 9 HE1 PHE 1 HE1 PHE 1 45.704 -3.971 -22.782 10 HE2 PHE 1 HE2 PHE 1 47.764 -7.220 -24.619 11 HZ PHE 1 HZ PHE 1 47.455 -4.797 -24.305 12 H GLY 2 HN GLY 2 42.673 -8.369 -19.071 13 HA2 GLY 2 HA2 GLY 2 43.723 -6.357 -17.210 14 HA3 GLY 2 HA1 GLY 2 42.345 -5.922 -18.210 15 H VAL 3 HN VAL 3 42.572 -6.115 -15.297 16 HA VAL 3 HA VAL 3 40.330 -7.955 -14.847 17 HB VAL 3 HB VAL 3 41.293 -8.408 -12.518 18 HG11 VAL 3 HG11 VAL 3 42.659 -9.571 -14.940 19 HG12 VAL 3 HG12 VAL 3 41.137 -10.111 -14.230 20 HG13 VAL 3 HG13 VAL 3 42.643 -10.289 -13.329 21 HG21 VAL 3 HG21 VAL 3 43.082 -6.733 -12.514 22 HG22 VAL 3 HG22 VAL 3 43.864 -7.555 -13.864 23 HG23 VAL 3 HG23 VAL 3 43.735 -8.357 -12.299 24 H ARG 4 HN ARG 4 38.703 -7.182 -13.647 25 HA ARG 4 HA ARG 4 39.091 -4.643 -12.207 26 HB2 ARG 4 HB2 ARG 4 36.881 -5.368 -14.126 27 HB3 ARG 4 HB1 ARG 4 36.714 -4.074 -12.948 28 HG2 ARG 4 HG2 ARG 4 38.629 -2.921 -13.940 29 HG3 ARG 4 HG1 ARG 4 38.789 -4.218 -15.126 30 HD2 ARG 4 HD2 ARG 4 36.534 -3.722 -15.956 31 HD3 ARG 4 HD1 ARG 4 36.395 -2.415 -14.780 32 HE ARG 4 HE ARG 4 38.671 -1.863 -16.214 33 HH11 ARG 4 HH11 ARG 4 35.356 -1.224 -18.390 34 HH12 ARG 4 HH12 ARG 4 35.279 -2.289 -17.025 35 HH21 ARG 4 HH21 ARG 4 38.745 -0.476 -18.005 36 HH22 ARG 4 HH22 ARG 4 37.315 -0.201 -18.944 37 H VAL 5 HN VAL 5 37.765 -4.300 -10.402 38 HA VAL 5 HA VAL 5 36.221 -6.618 -9.470 39 HB VAL 5 HB VAL 5 37.038 -6.074 -7.108 40 HG11 VAL 5 HG11 VAL 5 38.960 -7.248 -9.110 41 HG12 VAL 5 HG12 VAL 5 37.653 -8.098 -8.283 42 HG13 VAL 5 HG13 VAL 5 39.028 -7.485 -7.363 43 HG21 VAL 5 HG21 VAL 5 39.252 -4.703 -8.649 44 HG22 VAL 5 HG22 VAL 5 39.306 -5.114 -6.935 45 HG23 VAL 5 HG23 VAL 5 38.131 -3.936 -7.522 46 H GLY 6 HN GLY 6 36.800 -3.153 -9.203 47 HA2 GLY 6 HA2 GLY 6 34.967 -1.603 -9.255 48 HA3 GLY 6 HA1 GLY 6 33.980 -2.801 -8.431 49 H THR 7 HN THR 7 33.848 -2.769 -6.260 50 HA THR 7 HA THR 7 35.302 -0.640 -4.862 51 HB THR 7 HB THR 7 33.628 -1.124 -3.004 52 HG1 THR 7 HG1 THR 7 33.059 -3.225 -4.153 53 HG21 THR 7 HG21 THR 7 31.823 0.132 -4.095 54 HG22 THR 7 HG22 THR 7 32.555 -0.186 -5.668 55 HG23 THR 7 HG23 THR 7 33.404 0.809 -4.486 56 H CYS 8 HN CYS 8 36.292 -0.995 -2.839 57 HA CYS 8 HA CYS 8 37.344 -3.710 -2.519 58 HB2 CYS 8 HB2 CYS 8 39.088 -2.612 -1.111 59 HB3 CYS 8 HB1 CYS 8 39.044 -2.016 -2.771 60 HA PRO 9 HA PRO 9 35.042 -4.462 1.228 61 HB2 PRO 9 HB2 PRO 9 36.810 -6.005 2.647 62 HB3 PRO 9 HB1 PRO 9 35.863 -6.611 1.272 63 HG2 PRO 9 HG2 PRO 9 38.697 -5.694 1.351 64 HG3 PRO 9 HG1 PRO 9 37.988 -7.100 0.524 65 HD2 PRO 9 HD2 PRO 9 38.591 -4.840 -0.800 66 HD3 PRO 9 HD1 PRO 9 37.183 -5.832 -1.232 67 H SER 10 HN SER 10 35.071 -4.184 3.592 68 HA SER 10 HA SER 10 36.034 -1.665 4.380 69 HB2 SER 10 HB2 SER 10 34.042 -2.854 5.338 70 HB3 SER 10 HB1 SER 10 35.153 -3.902 6.217 71 HG SER 10 HG SER 10 34.396 -1.320 6.731 72 H GLY 11 HN GLY 11 37.701 -0.984 5.644 73 HA2 GLY 11 HA2 GLY 11 39.553 -1.252 7.113 74 HA3 GLY 11 HA1 GLY 11 39.638 -2.951 6.652 75 H TYR 12 HN TYR 12 39.219 -0.724 4.086 76 HA TYR 12 HA TYR 12 42.034 -1.051 3.291 77 HB2 TYR 12 HB2 TYR 12 39.484 -1.277 1.863 78 HB3 TYR 12 HB1 TYR 12 40.669 -0.276 1.020 79 HD1 TYR 12 HD1 TYR 12 42.674 -1.234 0.107 80 HD2 TYR 12 HD2 TYR 12 39.916 -3.658 2.253 81 HE1 TYR 12 HE1 TYR 12 43.795 -3.248 -0.741 82 HE2 TYR 12 HE2 TYR 12 41.028 -5.682 1.411 83 HH TYR 12 HH TYR 12 42.441 -6.355 -0.479 84 H VAL 13 HN VAL 13 42.877 0.743 1.848 85 HA VAL 13 HA VAL 13 42.126 3.328 3.029 86 HB VAL 13 HB VAL 13 44.630 2.646 1.452 87 HG11 VAL 13 HG11 VAL 13 43.968 5.092 3.099 88 HG12 VAL 13 HG12 VAL 13 44.082 5.025 1.340 89 HG13 VAL 13 HG13 VAL 13 45.519 4.760 2.327 90 HG21 VAL 13 HG21 VAL 13 44.184 2.843 4.426 91 HG22 VAL 13 HG22 VAL 13 45.773 2.805 3.664 92 HG23 VAL 13 HG23 VAL 13 44.687 1.422 3.509 93 H ARG 14 HN ARG 14 41.206 4.898 1.850 94 HA ARG 14 HA ARG 14 41.065 4.621 -1.086 95 HB2 ARG 14 HB2 ARG 14 38.817 5.551 0.686 96 HB3 ARG 14 HB1 ARG 14 38.744 5.293 -1.056 97 HG2 ARG 14 HG2 ARG 14 38.985 2.893 -0.746 98 HG3 ARG 14 HG1 ARG 14 39.136 3.117 1.002 99 HD2 ARG 14 HD2 ARG 14 36.725 4.036 -0.546 100 HD3 ARG 14 HD1 ARG 14 36.855 2.410 0.120 101 HE ARG 14 HE ARG 14 37.362 3.944 2.266 102 HH11 ARG 14 HH11 ARG 14 34.750 4.063 -0.079 103 HH12 ARG 14 HH12 ARG 14 33.610 4.710 1.053 104 HH21 ARG 14 HH21 ARG 14 34.234 5.122 3.207 105 HH22 ARG 14 HH22 ARG 14 35.852 4.793 3.731 106 H ARG 15 HN ARG 15 42.172 6.358 -1.857 107 HA ARG 15 HA ARG 15 41.345 8.998 -0.923 108 HB2 ARG 15 HB2 ARG 15 44.212 8.048 -0.847 109 HB3 ARG 15 HB1 ARG 15 43.753 9.746 -0.771 110 HG2 ARG 15 HG2 ARG 15 42.372 7.974 1.147 111 HG3 ARG 15 HG1 ARG 15 44.114 8.179 1.407 112 HD2 ARG 15 HD2 ARG 15 42.247 10.509 1.012 113 HD3 ARG 15 HD1 ARG 15 42.575 9.817 2.601 114 HE ARG 15 HE ARG 15 45.013 10.405 1.336 115 HH11 ARG 15 HH11 ARG 15 42.298 12.100 2.781 116 HH12 ARG 15 HH12 ARG 15 43.246 13.482 3.220 117 HH21 ARG 15 HH21 ARG 15 46.235 12.224 1.922 118 HH22 ARG 15 HH22 ARG 15 45.473 13.551 2.732 119 H GLY 16 HN GLY 16 40.711 10.039 -2.683 120 HA2 GLY 16 HA2 GLY 16 40.874 11.089 -4.742 121 HA3 GLY 16 HA1 GLY 16 42.444 10.322 -4.977 122 H THR 17 HN THR 17 39.161 9.032 -4.443 123 HA THR 17 HA THR 17 37.948 7.393 -5.443 124 HB THR 17 HB THR 17 37.784 7.449 -7.942 125 HG1 THR 17 HG1 THR 17 39.135 9.764 -8.290 126 HG21 THR 17 HG21 THR 17 36.355 8.875 -6.571 127 HG22 THR 17 HG22 THR 17 36.797 9.689 -8.071 128 HG23 THR 17 HG23 THR 17 37.596 10.127 -6.561 129 H PHE 18 HN PHE 18 40.616 6.693 -4.614 130 HA PHE 18 HA PHE 18 41.026 4.290 -6.244 131 HB2 PHE 18 HB2 PHE 18 42.750 5.747 -7.015 132 HB3 PHE 18 HB1 PHE 18 43.111 6.305 -5.391 133 HD1 PHE 18 HD1 PHE 18 44.783 5.303 -4.130 134 HD2 PHE 18 HD2 PHE 18 43.345 3.342 -7.624 135 HE1 PHE 18 HE1 PHE 18 46.613 3.673 -3.961 136 HE2 PHE 18 HE2 PHE 18 45.173 1.702 -7.457 137 HZ PHE 18 HZ PHE 18 46.805 1.873 -5.622 138 H CYS 19 HN CYS 19 41.547 2.467 -5.119 139 HA CYS 19 HA CYS 19 41.864 2.670 -2.196 140 HB2 CYS 19 HB2 CYS 19 39.536 2.004 -2.823 141 HB3 CYS 19 HB1 CYS 19 40.202 0.589 -3.640 142 H PHE 20 HN PHE 20 43.615 1.632 -1.457 143 HA PHE 20 HA PHE 20 44.699 -0.600 -3.024 144 HB2 PHE 20 HB2 PHE 20 46.969 0.232 -2.797 145 HB3 PHE 20 HB1 PHE 20 45.965 1.482 -3.529 146 HD1 PHE 20 HD1 PHE 20 45.217 3.425 -2.112 147 HD2 PHE 20 HD2 PHE 20 48.116 0.605 -0.788 148 HE1 PHE 20 HE1 PHE 20 45.963 5.008 -0.381 149 HE2 PHE 20 HE2 PHE 20 48.866 2.183 0.944 150 HZ PHE 20 HZ PHE 20 47.785 4.381 1.152 151 HA PRO 21 HA PRO 21 45.209 -2.587 0.970 152 HB2 PRO 21 HB2 PRO 21 47.642 -3.990 0.261 153 HB3 PRO 21 HB1 PRO 21 45.989 -4.630 0.352 154 HG2 PRO 21 HG2 PRO 21 47.356 -4.397 -1.975 155 HG3 PRO 21 HG1 PRO 21 45.587 -4.292 -1.865 156 HD2 PRO 21 HD2 PRO 21 47.598 -2.074 -2.056 157 HD3 PRO 21 HD1 PRO 21 46.048 -2.269 -2.903 158 H ASP 22 HN ASP 22 46.003 -2.101 2.871 159 HA ASP 22 HA ASP 22 48.736 -1.542 3.448 160 HB2 ASP 22 HB2 ASP 22 47.895 0.637 2.379 161 HB3 ASP 22 HB1 ASP 22 46.878 0.817 3.806 162 H ASP 23 HN ASP 23 45.404 -0.878 4.532 163 HA ASP 23 HA ASP 23 46.077 -1.543 7.283 164 HB2 ASP 23 HB2 ASP 23 44.590 0.421 6.537 165 HB3 ASP 23 HB1 ASP 23 43.349 -0.789 6.234 166 H ASP 24 HN ASP 24 44.712 -3.028 4.490 167 HA ASP 24 HA ASP 24 44.000 -5.394 6.083 168 HB2 ASP 24 HB2 ASP 24 42.005 -3.971 5.173 169 HB3 ASP 24 HB1 ASP 24 42.427 -4.682 3.619 170 H TYR 25 HN TYR 25 45.560 -6.804 5.571 171 HA TYR 25 HA TYR 25 46.337 -7.100 2.746 172 HB2 TYR 25 HB2 TYR 25 48.054 -6.441 4.617 173 HB3 TYR 25 HB1 TYR 25 47.997 -8.154 5.017 174 HD1 TYR 25 HD1 TYR 25 49.097 -5.669 2.577 175 HD2 TYR 25 HD2 TYR 25 48.874 -9.824 3.458 176 HE1 TYR 25 HE1 TYR 25 50.748 -6.126 0.812 177 HE2 TYR 25 HE2 TYR 25 50.524 -10.293 1.696 178 HH TYR 25 HH TYR 25 52.377 -7.861 0.219 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 20.385 -8.373 -15.027 2 H2 PHE 1 HT2 PHE 1 20.177 -8.578 -16.693 3 H3 PHE 1 HT3 PHE 1 21.253 -7.408 -16.114 4 HA PHE 1 HA PHE 1 21.536 -10.336 -15.770 5 HB2 PHE 1 HB2 PHE 1 22.932 -8.381 -17.606 6 HB3 PHE 1 HB1 PHE 1 23.540 -9.998 -17.276 7 HD1 PHE 1 HD1 PHE 1 20.957 -8.040 -18.959 8 HD2 PHE 1 HD2 PHE 1 22.422 -11.955 -18.158 9 HE1 PHE 1 HE1 PHE 1 19.541 -8.934 -20.762 10 HE2 PHE 1 HE2 PHE 1 21.008 -12.856 -19.959 11 HZ PHE 1 HZ PHE 1 19.565 -11.346 -21.264 12 H GLY 2 HN GLY 2 22.905 -7.104 -15.264 13 HA2 GLY 2 HA2 GLY 2 23.847 -7.459 -12.717 14 HA3 GLY 2 HA1 GLY 2 25.150 -8.040 -13.740 15 H VAL 3 HN VAL 3 25.035 -5.739 -11.916 16 HA VAL 3 HA VAL 3 25.962 -3.713 -13.813 17 HB VAL 3 HB VAL 3 24.926 -1.913 -12.317 18 HG11 VAL 3 HG11 VAL 3 22.797 -1.978 -13.533 19 HG12 VAL 3 HG12 VAL 3 23.131 -3.643 -14.009 20 HG13 VAL 3 HG13 VAL 3 24.172 -2.339 -14.576 21 HG21 VAL 3 HG21 VAL 3 23.149 -4.214 -11.485 22 HG22 VAL 3 HG22 VAL 3 22.845 -2.509 -11.153 23 HG23 VAL 3 HG23 VAL 3 24.240 -3.312 -10.432 24 H ARG 4 HN ARG 4 27.761 -2.656 -13.219 25 HA ARG 4 HA ARG 4 28.741 -2.986 -10.462 26 HB2 ARG 4 HB2 ARG 4 30.250 -3.425 -13.036 27 HB3 ARG 4 HB1 ARG 4 31.069 -3.129 -11.509 28 HG2 ARG 4 HG2 ARG 4 30.042 -5.122 -10.556 29 HG3 ARG 4 HG1 ARG 4 29.183 -5.412 -12.069 30 HD2 ARG 4 HD2 ARG 4 31.326 -5.647 -13.234 31 HD3 ARG 4 HD1 ARG 4 32.178 -5.368 -11.716 32 HE ARG 4 HE ARG 4 30.476 -7.494 -11.262 33 HH11 ARG 4 HH11 ARG 4 33.675 -8.517 -13.463 34 HH12 ARG 4 HH12 ARG 4 33.193 -6.855 -13.394 35 HH21 ARG 4 HH21 ARG 4 31.125 -9.661 -11.367 36 HH22 ARG 4 HH22 ARG 4 32.505 -10.104 -12.317 37 H VAL 5 HN VAL 5 30.072 -1.332 -9.662 38 HA VAL 5 HA VAL 5 30.226 1.110 -11.286 39 HB VAL 5 HB VAL 5 29.791 2.438 -9.143 40 HG11 VAL 5 HG11 VAL 5 27.362 2.367 -9.469 41 HG12 VAL 5 HG12 VAL 5 27.539 0.882 -10.403 42 HG13 VAL 5 HG13 VAL 5 28.239 2.387 -11.000 43 HG21 VAL 5 HG21 VAL 5 29.922 0.664 -7.493 44 HG22 VAL 5 HG22 VAL 5 28.593 -0.197 -8.268 45 HG23 VAL 5 HG23 VAL 5 28.300 1.358 -7.488 46 H GLY 6 HN GLY 6 31.470 -0.677 -8.512 47 HA2 GLY 6 HA2 GLY 6 33.932 -0.916 -8.450 48 HA3 GLY 6 HA1 GLY 6 34.014 0.807 -8.786 49 H THR 7 HN THR 7 33.554 -1.633 -6.386 50 HA THR 7 HA THR 7 33.839 0.386 -4.278 51 HB THR 7 HB THR 7 32.237 -0.990 -2.850 52 HG1 THR 7 HG1 THR 7 30.879 -1.795 -5.123 53 HG21 THR 7 HG21 THR 7 31.101 0.492 -5.225 54 HG22 THR 7 HG22 THR 7 31.640 1.217 -3.712 55 HG23 THR 7 HG23 THR 7 30.242 0.139 -3.725 56 H CYS 8 HN CYS 8 35.263 -0.162 -2.738 57 HA CYS 8 HA CYS 8 36.486 -2.818 -2.900 58 HB2 CYS 8 HB2 CYS 8 38.357 -1.793 -1.623 59 HB3 CYS 8 HB1 CYS 8 38.039 -0.978 -3.154 60 HA PRO 9 HA PRO 9 34.746 -4.156 0.981 61 HB2 PRO 9 HB2 PRO 9 36.737 -5.773 1.940 62 HB3 PRO 9 HB1 PRO 9 35.646 -6.244 0.618 63 HG2 PRO 9 HG2 PRO 9 38.431 -5.187 0.479 64 HG3 PRO 9 HG1 PRO 9 37.676 -6.511 -0.440 65 HD2 PRO 9 HD2 PRO 9 38.016 -4.061 -1.501 66 HD3 PRO 9 HD1 PRO 9 36.612 -5.072 -1.898 67 H SER 10 HN SER 10 35.075 -4.183 3.333 68 HA SER 10 HA SER 10 36.210 -1.749 4.278 69 HB2 SER 10 HB2 SER 10 35.506 -2.610 6.532 70 HB3 SER 10 HB1 SER 10 34.215 -2.582 5.330 71 HG SER 10 HG SER 10 35.101 -4.650 6.734 72 H GLY 11 HN GLY 11 37.927 -1.380 5.660 73 HA2 GLY 11 HA2 GLY 11 39.807 -1.986 6.975 74 HA3 GLY 11 HA1 GLY 11 39.751 -3.599 6.265 75 H TYR 12 HN TYR 12 39.542 -0.684 4.352 76 HA TYR 12 HA TYR 12 42.311 -1.010 3.419 77 HB2 TYR 12 HB2 TYR 12 39.804 -1.291 1.885 78 HB3 TYR 12 HB1 TYR 12 41.015 -0.250 1.134 79 HD1 TYR 12 HD1 TYR 12 43.070 -1.148 0.290 80 HD2 TYR 12 HD2 TYR 12 40.258 -3.676 2.233 81 HE1 TYR 12 HE1 TYR 12 44.265 -3.118 -0.561 82 HE2 TYR 12 HE2 TYR 12 41.443 -5.658 1.387 83 HH TYR 12 HH TYR 12 42.958 -6.252 -0.454 84 H VAL 13 HN VAL 13 43.035 0.921 2.089 85 HA VAL 13 HA VAL 13 42.021 3.371 3.360 86 HB VAL 13 HB VAL 13 44.620 2.999 1.833 87 HG11 VAL 13 HG11 VAL 13 45.281 5.135 2.868 88 HG12 VAL 13 HG12 VAL 13 43.669 5.284 3.567 89 HG13 VAL 13 HG13 VAL 13 43.877 5.319 1.816 90 HG21 VAL 13 HG21 VAL 13 45.691 3.128 4.075 91 HG22 VAL 13 HG22 VAL 13 44.721 1.675 3.833 92 HG23 VAL 13 HG23 VAL 13 44.089 3.005 4.800 93 H ARG 14 HN ARG 14 40.473 4.329 2.206 94 HA ARG 14 HA ARG 14 40.524 4.218 -0.726 95 HB2 ARG 14 HB2 ARG 14 38.330 5.217 1.091 96 HB3 ARG 14 HB1 ARG 14 38.200 4.902 -0.639 97 HG2 ARG 14 HG2 ARG 14 38.461 2.522 -0.269 98 HG3 ARG 14 HG1 ARG 14 38.700 2.794 1.463 99 HD2 ARG 14 HD2 ARG 14 36.433 3.768 1.584 100 HD3 ARG 14 HD1 ARG 14 36.204 3.392 -0.123 101 HE ARG 14 HE ARG 14 36.918 1.022 1.106 102 HH11 ARG 14 HH11 ARG 14 34.256 3.299 1.369 103 HH12 ARG 14 HH12 ARG 14 33.123 2.092 1.876 104 HH21 ARG 14 HH21 ARG 14 33.781 -0.080 2.102 105 HH22 ARG 14 HH22 ARG 14 35.418 -0.540 1.772 106 H ARG 15 HN ARG 15 41.878 5.815 -1.397 107 HA ARG 15 HA ARG 15 41.008 8.556 -0.993 108 HB2 ARG 15 HB2 ARG 15 43.751 7.597 -0.159 109 HB3 ARG 15 HB1 ARG 15 43.392 9.286 -0.483 110 HG2 ARG 15 HG2 ARG 15 41.921 9.439 1.346 111 HG3 ARG 15 HG1 ARG 15 41.826 7.681 1.523 112 HD2 ARG 15 HD2 ARG 15 44.190 7.641 2.193 113 HD3 ARG 15 HD1 ARG 15 44.272 9.394 2.018 114 HE ARG 15 HE ARG 15 42.192 8.789 3.785 115 HH11 ARG 15 HH11 ARG 15 45.698 8.586 3.708 116 HH12 ARG 15 HH12 ARG 15 45.859 8.743 5.425 117 HH21 ARG 15 HH21 ARG 15 42.428 8.992 6.030 118 HH22 ARG 15 HH22 ARG 15 44.009 8.973 6.737 119 H GLY 16 HN GLY 16 41.256 9.750 -2.795 120 HA2 GLY 16 HA2 GLY 16 42.074 10.451 -4.849 121 HA3 GLY 16 HA1 GLY 16 43.308 9.198 -4.753 122 H THR 17 HN THR 17 39.761 9.085 -4.741 123 HA THR 17 HA THR 17 38.236 7.819 -5.799 124 HB THR 17 HB THR 17 38.642 9.556 -7.493 125 HG1 THR 17 HG1 THR 17 37.008 8.022 -7.859 126 HG21 THR 17 HG21 THR 17 40.945 9.046 -8.164 127 HG22 THR 17 HG22 THR 17 39.865 9.044 -9.560 128 HG23 THR 17 HG23 THR 17 40.409 7.518 -8.863 129 H PHE 18 HN PHE 18 40.743 6.309 -4.944 130 HA PHE 18 HA PHE 18 39.897 3.770 -6.002 131 HB2 PHE 18 HB2 PHE 18 42.315 3.099 -6.610 132 HB3 PHE 18 HB1 PHE 18 41.401 4.035 -7.776 133 HD1 PHE 18 HD1 PHE 18 43.699 4.722 -4.880 134 HD2 PHE 18 HD2 PHE 18 42.588 5.637 -8.892 135 HE1 PHE 18 HE1 PHE 18 45.553 6.331 -5.026 136 HE2 PHE 18 HE2 PHE 18 44.436 7.249 -9.036 137 HZ PHE 18 HZ PHE 18 45.923 7.598 -7.104 138 H CYS 19 HN CYS 19 40.572 1.996 -4.793 139 HA CYS 19 HA CYS 19 41.588 2.682 -2.124 140 HB2 CYS 19 HB2 CYS 19 40.309 0.079 -2.972 141 HB3 CYS 19 HB1 CYS 19 40.530 0.691 -1.332 142 H PHE 20 HN PHE 20 43.450 1.837 -1.319 143 HA PHE 20 HA PHE 20 44.844 -0.176 -2.933 144 HB2 PHE 20 HB2 PHE 20 46.969 0.977 -2.649 145 HB3 PHE 20 HB1 PHE 20 45.799 2.073 -3.379 146 HD1 PHE 20 HD1 PHE 20 44.774 3.877 -1.973 147 HD2 PHE 20 HD2 PHE 20 47.990 1.457 -0.589 148 HE1 PHE 20 HE1 PHE 20 45.245 5.520 -0.203 149 HE2 PHE 20 HE2 PHE 20 48.467 3.095 1.181 150 HZ PHE 20 HZ PHE 20 47.091 5.122 1.379 151 HA PRO 21 HA PRO 21 45.572 -2.160 1.021 152 HB2 PRO 21 HB2 PRO 21 48.067 -3.392 0.275 153 HB3 PRO 21 HB1 PRO 21 46.450 -4.125 0.290 154 HG2 PRO 21 HG2 PRO 21 47.893 -3.673 -1.983 155 HG3 PRO 21 HG1 PRO 21 46.121 -3.765 -1.927 156 HD2 PRO 21 HD2 PRO 21 47.883 -1.340 -1.991 157 HD3 PRO 21 HD1 PRO 21 46.367 -1.663 -2.863 158 H ASP 22 HN ASP 22 46.359 -1.663 2.913 159 HA ASP 22 HA ASP 22 49.056 -0.891 3.439 160 HB2 ASP 22 HB2 ASP 22 48.005 1.238 2.491 161 HB3 ASP 22 HB1 ASP 22 46.982 1.258 3.924 162 H ASP 23 HN ASP 23 45.718 -0.575 4.661 163 HA ASP 23 HA ASP 23 46.557 -1.309 7.351 164 HB2 ASP 23 HB2 ASP 23 44.892 0.566 6.750 165 HB3 ASP 23 HB1 ASP 23 43.733 -0.727 6.471 166 H ASP 24 HN ASP 24 45.438 -2.869 4.555 167 HA ASP 24 HA ASP 24 44.210 -5.080 6.045 168 HB2 ASP 24 HB2 ASP 24 43.216 -3.935 3.892 169 HB3 ASP 24 HB1 ASP 24 44.345 -4.991 3.052 170 H TYR 25 HN TYR 25 46.791 -4.414 3.695 171 HA TYR 25 HA TYR 25 48.076 -6.942 4.489 172 HB2 TYR 25 HB2 TYR 25 47.870 -5.752 1.719 173 HB3 TYR 25 HB1 TYR 25 49.023 -7.015 2.136 174 HD1 TYR 25 HD1 TYR 25 45.527 -6.238 1.461 175 HD2 TYR 25 HD2 TYR 25 48.237 -9.281 2.683 176 HE1 TYR 25 HE1 TYR 25 43.809 -7.939 1.016 177 HE2 TYR 25 HE2 TYR 25 46.526 -10.991 2.240 178 HH TYR 25 HH TYR 25 43.684 -10.342 0.509 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 19.368 -0.871 -8.004 2 H2 PHE 1 HT2 PHE 1 19.806 -2.478 -7.706 3 H3 PHE 1 HT3 PHE 1 18.173 -2.043 -7.758 4 HA PHE 1 HA PHE 1 18.825 -3.183 -9.773 5 HB2 PHE 1 HB2 PHE 1 18.174 -0.242 -10.050 6 HB3 PHE 1 HB1 PHE 1 18.122 -1.376 -11.395 7 HD1 PHE 1 HD1 PHE 1 16.382 -3.052 -11.544 8 HD2 PHE 1 HD2 PHE 1 16.514 -0.308 -8.293 9 HE1 PHE 1 HE1 PHE 1 14.071 -3.649 -10.951 10 HE2 PHE 1 HE2 PHE 1 14.203 -0.900 -7.695 11 HZ PHE 1 HZ PHE 1 12.978 -2.573 -9.024 12 H GLY 2 HN GLY 2 20.687 -0.218 -9.189 13 HA2 GLY 2 HA2 GLY 2 23.082 -1.284 -10.242 14 HA3 GLY 2 HA1 GLY 2 22.321 -0.265 -11.455 15 H VAL 3 HN VAL 3 23.675 -0.336 -8.209 16 HA VAL 3 HA VAL 3 24.381 2.495 -8.491 17 HB VAL 3 HB VAL 3 23.960 2.778 -5.984 18 HG11 VAL 3 HG11 VAL 3 21.609 2.450 -7.843 19 HG12 VAL 3 HG12 VAL 3 22.624 3.883 -7.676 20 HG13 VAL 3 HG13 VAL 3 21.604 3.364 -6.334 21 HG21 VAL 3 HG21 VAL 3 23.605 0.435 -5.377 22 HG22 VAL 3 HG22 VAL 3 22.187 0.366 -6.425 23 HG23 VAL 3 HG23 VAL 3 22.178 1.402 -4.998 24 H ARG 4 HN ARG 4 26.382 3.028 -7.841 25 HA ARG 4 HA ARG 4 28.043 0.884 -6.694 26 HB2 ARG 4 HB2 ARG 4 28.725 3.204 -8.498 27 HB3 ARG 4 HB1 ARG 4 29.959 2.291 -7.641 28 HG2 ARG 4 HG2 ARG 4 29.259 0.252 -8.781 29 HG3 ARG 4 HG1 ARG 4 28.000 1.154 -9.627 30 HD2 ARG 4 HD2 ARG 4 29.723 2.556 -10.669 31 HD3 ARG 4 HD1 ARG 4 30.971 1.626 -9.841 32 HE ARG 4 HE ARG 4 29.458 -0.203 -11.249 33 HH11 ARG 4 HH11 ARG 4 31.889 1.938 -13.625 34 HH12 ARG 4 HH12 ARG 4 31.458 2.567 -12.069 35 HH21 ARG 4 HH21 ARG 4 30.035 -1.004 -13.288 36 HH22 ARG 4 HH22 ARG 4 31.084 -0.081 -14.312 37 H VAL 5 HN VAL 5 28.909 1.133 -4.748 38 HA VAL 5 HA VAL 5 29.294 3.811 -3.643 39 HB VAL 5 HB VAL 5 28.400 2.980 -1.395 40 HG11 VAL 5 HG11 VAL 5 26.102 3.632 -1.951 41 HG12 VAL 5 HG12 VAL 5 26.481 3.467 -3.666 42 HG13 VAL 5 HG13 VAL 5 27.296 4.695 -2.697 43 HG21 VAL 5 HG21 VAL 5 26.575 1.309 -1.512 44 HG22 VAL 5 HG22 VAL 5 28.156 0.613 -1.862 45 HG23 VAL 5 HG23 VAL 5 27.034 0.956 -3.179 46 H GLY 6 HN GLY 6 29.889 0.349 -3.332 47 HA2 GLY 6 HA2 GLY 6 32.513 0.974 -2.142 48 HA3 GLY 6 HA1 GLY 6 31.501 -0.283 -1.448 49 H THR 7 HN THR 7 34.123 0.160 -3.273 50 HA THR 7 HA THR 7 33.601 -2.036 -5.145 51 HB THR 7 HB THR 7 35.883 -1.397 -6.080 52 HG1 THR 7 HG1 THR 7 36.931 0.144 -5.093 53 HG21 THR 7 HG21 THR 7 33.683 0.673 -6.169 54 HG22 THR 7 HG22 THR 7 33.795 -0.762 -7.187 55 HG23 THR 7 HG23 THR 7 34.998 0.519 -7.334 56 H CYS 8 HN CYS 8 35.869 -1.042 -2.619 57 HA CYS 8 HA CYS 8 36.948 -3.774 -2.529 58 HB2 CYS 8 HB2 CYS 8 38.817 -2.762 -1.218 59 HB3 CYS 8 HB1 CYS 8 38.666 -2.109 -2.850 60 HA PRO 9 HA PRO 9 34.897 -4.613 1.342 61 HB2 PRO 9 HB2 PRO 9 36.743 -6.206 2.602 62 HB3 PRO 9 HB1 PRO 9 35.688 -6.769 1.287 63 HG2 PRO 9 HG2 PRO 9 38.533 -5.890 1.179 64 HG3 PRO 9 HG1 PRO 9 37.744 -7.266 0.372 65 HD2 PRO 9 HD2 PRO 9 38.285 -4.985 -0.940 66 HD3 PRO 9 HD1 PRO 9 36.830 -5.940 -1.287 67 H SER 10 HN SER 10 35.083 -4.402 3.705 68 HA SER 10 HA SER 10 36.104 -1.912 4.499 69 HB2 SER 10 HB2 SER 10 35.226 -4.247 6.211 70 HB3 SER 10 HB1 SER 10 35.459 -2.596 6.784 71 HG SER 10 HG SER 10 33.384 -2.540 6.298 72 H GLY 11 HN GLY 11 37.888 -1.248 5.556 73 HA2 GLY 11 HA2 GLY 11 39.817 -1.560 6.935 74 HA3 GLY 11 HA1 GLY 11 39.872 -3.245 6.419 75 H TYR 12 HN TYR 12 39.485 -0.414 4.350 76 HA TYR 12 HA TYR 12 42.181 -0.831 3.247 77 HB2 TYR 12 HB2 TYR 12 39.565 -1.000 1.871 78 HB3 TYR 12 HB1 TYR 12 40.818 -0.088 1.025 79 HD1 TYR 12 HD1 TYR 12 39.815 -3.400 2.260 80 HD2 TYR 12 HD2 TYR 12 42.780 -1.184 0.163 81 HE1 TYR 12 HE1 TYR 12 40.805 -5.502 1.448 82 HE2 TYR 12 HE2 TYR 12 43.778 -3.274 -0.651 83 HH TYR 12 HH TYR 12 42.212 -6.272 -0.423 84 H VAL 13 HN VAL 13 42.969 1.035 1.952 85 HA VAL 13 HA VAL 13 42.060 3.546 3.181 86 HB VAL 13 HB VAL 13 44.664 2.986 1.723 87 HG11 VAL 13 HG11 VAL 13 45.418 5.141 2.649 88 HG12 VAL 13 HG12 VAL 13 43.798 5.423 3.287 89 HG13 VAL 13 HG13 VAL 13 44.057 5.339 1.545 90 HG21 VAL 13 HG21 VAL 13 44.102 3.270 4.674 91 HG22 VAL 13 HG22 VAL 13 45.702 3.126 3.948 92 HG23 VAL 13 HG23 VAL 13 44.557 1.788 3.834 93 H ARG 14 HN ARG 14 40.526 4.495 2.006 94 HA ARG 14 HA ARG 14 40.656 4.453 -0.928 95 HB2 ARG 14 HB2 ARG 14 38.410 5.351 0.879 96 HB3 ARG 14 HB1 ARG 14 38.323 5.163 -0.871 97 HG2 ARG 14 HG2 ARG 14 38.622 2.752 -0.647 98 HG3 ARG 14 HG1 ARG 14 38.742 2.924 1.110 99 HD2 ARG 14 HD2 ARG 14 36.466 3.824 1.170 100 HD3 ARG 14 HD1 ARG 14 36.349 3.655 -0.580 101 HE ARG 14 HE ARG 14 36.995 1.153 0.409 102 HH11 ARG 14 HH11 ARG 14 34.309 3.391 0.742 103 HH12 ARG 14 HH12 ARG 14 33.149 2.135 1.021 104 HH21 ARG 14 HH21 ARG 14 33.800 -0.048 1.041 105 HH22 ARG 14 HH22 ARG 14 35.459 -0.472 0.776 106 H ARG 15 HN ARG 15 42.017 6.090 -1.516 107 HA ARG 15 HA ARG 15 41.113 8.805 -0.987 108 HB2 ARG 15 HB2 ARG 15 43.887 7.844 -0.257 109 HB3 ARG 15 HB1 ARG 15 43.471 9.541 -0.438 110 HG2 ARG 15 HG2 ARG 15 41.759 7.941 1.383 111 HG3 ARG 15 HG1 ARG 15 43.418 8.272 1.919 112 HD2 ARG 15 HD2 ARG 15 43.039 10.674 1.571 113 HD3 ARG 15 HD1 ARG 15 41.390 10.335 1.051 114 HE ARG 15 HE ARG 15 41.647 9.204 3.554 115 HH11 ARG 15 HH11 ARG 15 41.889 12.449 2.234 116 HH12 ARG 15 HH12 ARG 15 41.377 13.209 3.704 117 HH21 ARG 15 HH21 ARG 15 40.976 10.219 5.466 118 HH22 ARG 15 HH22 ARG 15 40.861 11.947 5.531 119 H GLY 16 HN GLY 16 41.373 10.126 -2.698 120 HA2 GLY 16 HA2 GLY 16 42.161 10.942 -4.723 121 HA3 GLY 16 HA1 GLY 16 43.374 9.665 -4.732 122 H THR 17 HN THR 17 39.950 9.074 -4.353 123 HA THR 17 HA THR 17 38.380 7.954 -5.510 124 HB THR 17 HB THR 17 38.214 8.154 -7.956 125 HG1 THR 17 HG1 THR 17 40.144 9.880 -8.496 126 HG21 THR 17 HG21 THR 17 38.943 10.741 -6.579 127 HG22 THR 17 HG22 THR 17 37.357 9.970 -6.580 128 HG23 THR 17 HG23 THR 17 38.031 10.602 -8.083 129 H PHE 18 HN PHE 18 41.048 6.645 -4.848 130 HA PHE 18 HA PHE 18 40.491 4.173 -6.311 131 HB2 PHE 18 HB2 PHE 18 42.893 3.691 -6.624 132 HB3 PHE 18 HB1 PHE 18 42.385 5.116 -7.513 133 HD1 PHE 18 HD1 PHE 18 44.271 3.939 -4.559 134 HD2 PHE 18 HD2 PHE 18 43.387 7.224 -7.114 135 HE1 PHE 18 HE1 PHE 18 46.132 5.204 -3.568 136 HE2 PHE 18 HE2 PHE 18 45.245 8.497 -6.126 137 HZ PHE 18 HZ PHE 18 46.621 7.488 -4.350 138 H CYS 19 HN CYS 19 41.005 2.257 -5.225 139 HA CYS 19 HA CYS 19 41.506 2.578 -2.337 140 HB2 CYS 19 HB2 CYS 19 39.229 1.758 -2.927 141 HB3 CYS 19 HB1 CYS 19 39.966 0.368 -3.728 142 H PHE 20 HN PHE 20 43.373 1.780 -1.627 143 HA PHE 20 HA PHE 20 44.605 -0.439 -3.101 144 HB2 PHE 20 HB2 PHE 20 46.813 0.553 -2.797 145 HB3 PHE 20 HB1 PHE 20 45.750 1.698 -3.615 146 HD1 PHE 20 HD1 PHE 20 47.843 1.079 -0.760 147 HD2 PHE 20 HD2 PHE 20 44.790 3.617 -2.294 148 HE1 PHE 20 HE1 PHE 20 48.384 2.757 0.952 149 HE2 PHE 20 HE2 PHE 20 45.327 5.302 -0.582 150 HZ PHE 20 HZ PHE 20 47.124 4.865 1.046 151 HA PRO 21 HA PRO 21 45.115 -2.302 0.947 152 HB2 PRO 21 HB2 PRO 21 47.488 -3.792 0.299 153 HB3 PRO 21 HB1 PRO 21 45.808 -4.366 0.295 154 HG2 PRO 21 HG2 PRO 21 47.355 -4.122 -1.951 155 HG3 PRO 21 HG1 PRO 21 45.580 -4.084 -1.945 156 HD2 PRO 21 HD2 PRO 21 47.519 -1.803 -2.064 157 HD3 PRO 21 HD1 PRO 21 45.993 -2.042 -2.946 158 H ASP 22 HN ASP 22 45.919 -1.756 2.820 159 HA ASP 22 HA ASP 22 48.686 -1.178 3.305 160 HB2 ASP 22 HB2 ASP 22 47.787 0.975 2.299 161 HB3 ASP 22 HB1 ASP 22 46.734 1.104 3.705 162 H ASP 23 HN ASP 23 45.395 -0.598 4.566 163 HA ASP 23 HA ASP 23 46.228 -1.314 7.262 164 HB2 ASP 23 HB2 ASP 23 44.678 0.651 6.622 165 HB3 ASP 23 HB1 ASP 23 43.431 -0.573 6.412 166 H ASP 24 HN ASP 24 45.122 -2.944 4.553 167 HA ASP 24 HA ASP 24 43.628 -4.965 6.059 168 HB2 ASP 24 HB2 ASP 24 42.891 -3.932 3.776 169 HB3 ASP 24 HB1 ASP 24 44.063 -5.049 3.086 170 H TYR 25 HN TYR 25 46.488 -4.617 3.986 171 HA TYR 25 HA TYR 25 47.466 -7.201 5.006 172 HB2 TYR 25 HB2 TYR 25 47.723 -6.064 2.218 173 HB3 TYR 25 HB1 TYR 25 48.713 -7.396 2.802 174 HD1 TYR 25 HD1 TYR 25 47.716 -9.591 3.233 175 HD2 TYR 25 HD2 TYR 25 45.386 -6.382 1.694 176 HE1 TYR 25 HE1 TYR 25 45.956 -11.184 2.594 177 HE2 TYR 25 HE2 TYR 25 43.619 -7.966 1.050 178 HH TYR 25 HH TYR 25 43.386 -10.357 0.538 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 38.154 -14.585 -15.282 2 H2 PHE 1 HT2 PHE 1 39.235 -13.825 -14.227 3 H3 PHE 1 HT3 PHE 1 39.572 -13.888 -15.884 4 HA PHE 1 HA PHE 1 38.810 -11.698 -15.242 5 HB2 PHE 1 HB2 PHE 1 36.941 -13.319 -16.982 6 HB3 PHE 1 HB1 PHE 1 36.865 -11.565 -16.855 7 HD1 PHE 1 HD1 PHE 1 38.580 -10.169 -17.837 8 HD2 PHE 1 HD2 PHE 1 38.759 -14.410 -18.142 9 HE1 PHE 1 HE1 PHE 1 40.278 -9.966 -19.606 10 HE2 PHE 1 HE2 PHE 1 40.459 -14.215 -19.910 11 HZ PHE 1 HZ PHE 1 41.220 -11.991 -20.644 12 H GLY 2 HN GLY 2 37.246 -10.351 -14.349 13 HA2 GLY 2 HA2 GLY 2 34.722 -10.827 -13.482 14 HA3 GLY 2 HA1 GLY 2 35.709 -11.539 -12.213 15 H VAL 3 HN VAL 3 35.090 -8.544 -13.987 16 HA VAL 3 HA VAL 3 35.736 -7.038 -11.549 17 HB VAL 3 HB VAL 3 36.618 -5.171 -13.059 18 HG11 VAL 3 HG11 VAL 3 38.214 -7.711 -12.773 19 HG12 VAL 3 HG12 VAL 3 38.041 -6.438 -11.564 20 HG13 VAL 3 HG13 VAL 3 38.884 -6.108 -13.079 21 HG21 VAL 3 HG21 VAL 3 37.665 -5.867 -15.174 22 HG22 VAL 3 HG22 VAL 3 35.912 -6.040 -15.229 23 HG23 VAL 3 HG23 VAL 3 36.931 -7.462 -15.009 24 H ARG 4 HN ARG 4 34.338 -5.481 -10.999 25 HA ARG 4 HA ARG 4 32.260 -4.708 -12.934 26 HB2 ARG 4 HB2 ARG 4 31.906 -5.550 -10.063 27 HB3 ARG 4 HB1 ARG 4 30.690 -4.613 -10.918 28 HG2 ARG 4 HG2 ARG 4 30.447 -6.393 -12.559 29 HG3 ARG 4 HG1 ARG 4 31.701 -7.328 -11.742 30 HD2 ARG 4 HD2 ARG 4 30.315 -7.420 -9.727 31 HD3 ARG 4 HD1 ARG 4 29.065 -6.482 -10.543 32 HE ARG 4 HE ARG 4 29.583 -8.720 -12.112 33 HH11 ARG 4 HH11 ARG 4 27.265 -9.472 -8.918 34 HH12 ARG 4 HH12 ARG 4 28.269 -8.059 -8.922 35 HH21 ARG 4 HH21 ARG 4 28.263 -10.562 -12.083 36 HH22 ARG 4 HH22 ARG 4 27.262 -10.886 -10.707 37 H VAL 5 HN VAL 5 34.015 -3.867 -9.987 38 HA VAL 5 HA VAL 5 34.656 -1.910 -9.031 39 HB VAL 5 HB VAL 5 33.987 -0.457 -11.606 40 HG11 VAL 5 HG11 VAL 5 36.109 0.081 -9.524 41 HG12 VAL 5 HG12 VAL 5 34.581 0.948 -9.676 42 HG13 VAL 5 HG13 VAL 5 35.783 1.050 -10.962 43 HG21 VAL 5 HG21 VAL 5 36.543 -1.940 -10.977 44 HG22 VAL 5 HG22 VAL 5 36.257 -0.918 -12.385 45 HG23 VAL 5 HG23 VAL 5 35.343 -2.411 -12.182 46 H GLY 6 HN GLY 6 33.476 -1.087 -7.460 47 HA2 GLY 6 HA2 GLY 6 31.377 0.785 -7.898 48 HA3 GLY 6 HA1 GLY 6 30.726 -0.775 -7.416 49 H THR 7 HN THR 7 32.294 -1.713 -5.524 50 HA THR 7 HA THR 7 32.703 0.401 -3.527 51 HB THR 7 HB THR 7 31.688 -1.170 -1.798 52 HG1 THR 7 HG1 THR 7 31.433 -3.063 -2.897 53 HG21 THR 7 HG21 THR 7 29.852 0.023 -3.880 54 HG22 THR 7 HG22 THR 7 30.562 0.878 -2.509 55 HG23 THR 7 HG23 THR 7 29.393 -0.414 -2.234 56 H CYS 8 HN CYS 8 34.366 0.063 -2.124 57 HA CYS 8 HA CYS 8 36.165 -2.137 -2.721 58 HB2 CYS 8 HB2 CYS 8 36.496 0.342 -1.019 59 HB3 CYS 8 HB1 CYS 8 37.762 -0.836 -1.342 60 HA PRO 9 HA PRO 9 35.184 -4.520 0.929 61 HB2 PRO 9 HB2 PRO 9 37.638 -5.578 1.564 62 HB3 PRO 9 HB1 PRO 9 36.626 -6.171 0.229 63 HG2 PRO 9 HG2 PRO 9 38.961 -4.323 0.148 64 HG3 PRO 9 HG1 PRO 9 38.545 -5.665 -0.941 65 HD2 PRO 9 HD2 PRO 9 38.078 -3.101 -1.609 66 HD3 PRO 9 HD1 PRO 9 36.990 -4.414 -2.106 67 H SER 10 HN SER 10 35.681 -4.785 3.240 68 HA SER 10 HA SER 10 36.231 -2.251 4.482 69 HB2 SER 10 HB2 SER 10 35.706 -3.492 6.601 70 HB3 SER 10 HB1 SER 10 34.433 -3.569 5.383 71 HG SER 10 HG SER 10 35.026 -5.649 4.906 72 H GLY 11 HN GLY 11 37.995 -1.585 5.527 73 HA2 GLY 11 HA2 GLY 11 39.970 -1.830 6.814 74 HA3 GLY 11 HA1 GLY 11 40.091 -3.501 6.266 75 H TYR 12 HN TYR 12 39.631 -0.577 4.320 76 HA TYR 12 HA TYR 12 42.323 -0.891 3.188 77 HB2 TYR 12 HB2 TYR 12 39.718 -1.113 1.785 78 HB3 TYR 12 HB1 TYR 12 40.962 -0.161 0.972 79 HD1 TYR 12 HD1 TYR 12 39.965 -3.505 2.055 80 HD2 TYR 12 HD2 TYR 12 43.021 -1.196 0.214 81 HE1 TYR 12 HE1 TYR 12 41.018 -5.570 1.227 82 HE2 TYR 12 HE2 TYR 12 44.088 -3.245 -0.612 83 HH TYR 12 HH TYR 12 42.538 -6.269 -0.574 84 H VAL 13 HN VAL 13 43.024 1.022 1.901 85 HA VAL 13 HA VAL 13 42.042 3.480 3.182 86 HB VAL 13 HB VAL 13 44.639 3.023 1.675 87 HG11 VAL 13 HG11 VAL 13 43.925 5.356 1.517 88 HG12 VAL 13 HG12 VAL 13 45.335 5.203 2.565 89 HG13 VAL 13 HG13 VAL 13 43.734 5.426 3.269 90 HG21 VAL 13 HG21 VAL 13 44.110 3.281 4.633 91 HG22 VAL 13 HG22 VAL 13 45.704 3.207 3.886 92 HG23 VAL 13 HG23 VAL 13 44.616 1.822 3.782 93 H ARG 14 HN ARG 14 40.441 4.365 2.041 94 HA ARG 14 HA ARG 14 40.504 4.340 -0.894 95 HB2 ARG 14 HB2 ARG 14 38.271 5.224 0.933 96 HB3 ARG 14 HB1 ARG 14 38.159 4.922 -0.800 97 HG2 ARG 14 HG2 ARG 14 38.485 2.553 -0.457 98 HG3 ARG 14 HG1 ARG 14 38.735 2.810 1.276 99 HD2 ARG 14 HD2 ARG 14 36.431 3.755 1.391 100 HD3 ARG 14 HD1 ARG 14 36.206 3.291 -0.296 101 HE ARG 14 HE ARG 14 36.949 0.972 0.851 102 HH11 ARG 14 HH11 ARG 14 34.469 3.300 1.728 103 HH12 ARG 14 HH12 ARG 14 33.443 2.106 2.451 104 HH21 ARG 14 HH21 ARG 14 34.079 -0.083 2.494 105 HH22 ARG 14 HH22 ARG 14 35.591 -0.572 1.806 106 H ARG 15 HN ARG 15 41.802 6.016 -1.517 107 HA ARG 15 HA ARG 15 40.819 8.702 -1.008 108 HB2 ARG 15 HB2 ARG 15 43.602 7.820 -0.229 109 HB3 ARG 15 HB1 ARG 15 43.182 9.507 -0.496 110 HG2 ARG 15 HG2 ARG 15 41.687 9.531 1.334 111 HG3 ARG 15 HG1 ARG 15 41.706 7.769 1.473 112 HD2 ARG 15 HD2 ARG 15 43.061 8.588 3.235 113 HD3 ARG 15 HD1 ARG 15 44.176 7.980 2.013 114 HE ARG 15 HE ARG 15 43.849 10.671 1.482 115 HH11 ARG 15 HH11 ARG 15 45.068 8.768 4.171 116 HH12 ARG 15 HH12 ARG 15 46.165 10.002 4.695 117 HH21 ARG 15 HH21 ARG 15 45.290 12.271 2.187 118 HH22 ARG 15 HH22 ARG 15 46.290 11.983 3.573 119 H GLY 16 HN GLY 16 41.005 9.986 -2.753 120 HA2 GLY 16 HA2 GLY 16 41.765 10.807 -4.785 121 HA3 GLY 16 HA1 GLY 16 43.047 9.601 -4.760 122 H THR 17 HN THR 17 39.778 8.554 -4.314 123 HA THR 17 HA THR 17 38.278 7.375 -5.536 124 HB THR 17 HB THR 17 39.554 8.034 -8.170 125 HG1 THR 17 HG1 THR 17 38.279 10.082 -7.974 126 HG21 THR 17 HG21 THR 17 36.687 7.981 -7.207 127 HG22 THR 17 HG22 THR 17 37.493 6.707 -8.122 128 HG23 THR 17 HG23 THR 17 37.209 8.281 -8.864 129 H PHE 18 HN PHE 18 41.072 6.356 -4.827 130 HA PHE 18 HA PHE 18 40.834 3.845 -6.309 131 HB2 PHE 18 HB2 PHE 18 43.308 3.671 -6.537 132 HB3 PHE 18 HB1 PHE 18 42.614 4.973 -7.489 133 HD1 PHE 18 HD1 PHE 18 43.197 7.252 -7.071 134 HD2 PHE 18 HD2 PHE 18 44.650 4.162 -4.532 135 HE1 PHE 18 HE1 PHE 18 44.811 8.825 -6.084 136 HE2 PHE 18 HE2 PHE 18 46.263 5.730 -3.538 137 HZ PHE 18 HZ PHE 18 46.345 8.067 -4.314 138 H CYS 19 HN CYS 19 41.034 2.063 -5.103 139 HA CYS 19 HA CYS 19 41.701 2.405 -2.261 140 HB2 CYS 19 HB2 CYS 19 40.181 0.183 -3.651 141 HB3 CYS 19 HB1 CYS 19 40.481 0.284 -1.914 142 H PHE 20 HN PHE 20 43.560 1.626 -1.512 143 HA PHE 20 HA PHE 20 44.848 -0.577 -2.959 144 HB2 PHE 20 HB2 PHE 20 47.033 0.464 -2.722 145 HB3 PHE 20 HB1 PHE 20 45.940 1.584 -3.533 146 HD1 PHE 20 HD1 PHE 20 44.992 3.516 -2.232 147 HD2 PHE 20 HD2 PHE 20 48.079 1.020 -0.699 148 HE1 PHE 20 HE1 PHE 20 45.540 5.229 -0.553 149 HE2 PHE 20 HE2 PHE 20 48.634 2.729 0.978 150 HZ PHE 20 HZ PHE 20 47.361 4.829 1.057 151 HA PRO 21 HA PRO 21 45.394 -2.354 1.120 152 HB2 PRO 21 HB2 PRO 21 47.882 -3.695 0.510 153 HB3 PRO 21 HB1 PRO 21 46.248 -4.388 0.571 154 HG2 PRO 21 HG2 PRO 21 47.706 -4.155 -1.716 155 HG3 PRO 21 HG1 PRO 21 45.933 -4.181 -1.669 156 HD2 PRO 21 HD2 PRO 21 47.780 -1.834 -1.914 157 HD3 PRO 21 HD1 PRO 21 46.252 -2.167 -2.759 158 H ASP 22 HN ASP 22 46.157 -1.756 3.007 159 HA ASP 22 HA ASP 22 48.861 -1.006 3.535 160 HB2 ASP 22 HB2 ASP 22 47.907 1.064 2.400 161 HB3 ASP 22 HB1 ASP 22 46.824 1.222 3.780 162 H ASP 23 HN ASP 23 45.501 -0.561 4.660 163 HA ASP 23 HA ASP 23 46.289 -1.041 7.418 164 HB2 ASP 23 HB2 ASP 23 44.658 0.782 6.637 165 HB3 ASP 23 HB1 ASP 23 43.492 -0.517 6.410 166 H ASP 24 HN ASP 24 45.425 -2.927 4.799 167 HA ASP 24 HA ASP 24 43.978 -4.909 6.394 168 HB2 ASP 24 HB2 ASP 24 43.661 -6.080 4.169 169 HB3 ASP 24 HB1 ASP 24 42.889 -4.508 4.317 170 H TYR 25 HN TYR 25 45.542 -5.777 7.670 171 HA TYR 25 HA TYR 25 47.437 -7.569 6.333 172 HB2 TYR 25 HB2 TYR 25 48.103 -5.495 8.401 173 HB3 TYR 25 HB1 TYR 25 49.048 -6.976 8.301 174 HD1 TYR 25 HD1 TYR 25 48.202 -3.828 6.631 175 HD2 TYR 25 HD2 TYR 25 50.490 -7.406 6.395 176 HE1 TYR 25 HE1 TYR 25 49.554 -2.839 4.831 177 HE2 TYR 25 HE2 TYR 25 51.847 -6.427 4.594 178 HH TYR 25 HH TYR 25 51.780 -3.123 3.830 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 28.759 -8.994 -17.205 2 H2 PHE 1 HT2 PHE 1 27.690 -9.625 -16.055 3 H3 PHE 1 HT3 PHE 1 29.353 -9.888 -15.896 4 HA PHE 1 HA PHE 1 27.999 -7.259 -15.740 5 HB2 PHE 1 HB2 PHE 1 29.161 -9.059 -13.605 6 HB3 PHE 1 HB1 PHE 1 28.769 -7.365 -13.335 7 HD1 PHE 1 HD1 PHE 1 26.470 -6.622 -13.212 8 HD2 PHE 1 HD2 PHE 1 27.422 -10.718 -13.871 9 HE1 PHE 1 HE1 PHE 1 24.153 -7.243 -12.667 10 HE2 PHE 1 HE2 PHE 1 25.106 -11.347 -13.328 11 HZ PHE 1 HZ PHE 1 23.469 -9.608 -12.726 12 H GLY 2 HN GLY 2 29.298 -5.490 -15.606 13 HA2 GLY 2 HA2 GLY 2 32.172 -5.753 -15.306 14 HA3 GLY 2 HA1 GLY 2 31.641 -5.251 -16.904 15 H VAL 3 HN VAL 3 32.024 -4.343 -13.584 16 HA VAL 3 HA VAL 3 31.647 -1.538 -14.323 17 HB VAL 3 HB VAL 3 30.549 -1.135 -12.049 18 HG11 VAL 3 HG11 VAL 3 29.017 -2.616 -14.179 19 HG12 VAL 3 HG12 VAL 3 29.363 -0.887 -14.146 20 HG13 VAL 3 HG13 VAL 3 28.308 -1.598 -12.925 21 HG21 VAL 3 HG21 VAL 3 30.934 -3.320 -11.025 22 HG22 VAL 3 HG22 VAL 3 29.956 -4.093 -12.272 23 HG23 VAL 3 HG23 VAL 3 29.208 -2.979 -11.127 24 H ARG 4 HN ARG 4 33.370 -0.409 -13.809 25 HA ARG 4 HA ARG 4 35.205 -1.420 -11.755 26 HB2 ARG 4 HB2 ARG 4 35.574 0.501 -14.052 27 HB3 ARG 4 HB1 ARG 4 36.779 0.312 -12.789 28 HG2 ARG 4 HG2 ARG 4 35.815 -2.104 -14.250 29 HG3 ARG 4 HG1 ARG 4 36.973 -1.024 -15.028 30 HD2 ARG 4 HD2 ARG 4 38.495 -1.290 -13.128 31 HD3 ARG 4 HD1 ARG 4 37.335 -2.365 -12.347 32 HE ARG 4 HE ARG 4 37.905 -3.392 -14.882 33 HH11 ARG 4 HH11 ARG 4 40.649 -4.233 -12.072 34 HH12 ARG 4 HH12 ARG 4 39.569 -2.901 -11.827 35 HH21 ARG 4 HH21 ARG 4 39.330 -5.128 -15.179 36 HH22 ARG 4 HH22 ARG 4 40.514 -5.491 -13.970 37 H VAL 5 HN VAL 5 35.778 -0.264 -9.985 38 HA VAL 5 HA VAL 5 35.681 1.226 -8.275 39 HB VAL 5 HB VAL 5 34.875 3.390 -10.238 40 HG11 VAL 5 HG11 VAL 5 36.493 3.530 -7.691 41 HG12 VAL 5 HG12 VAL 5 34.799 3.992 -7.855 42 HG13 VAL 5 HG13 VAL 5 36.043 4.890 -8.722 43 HG21 VAL 5 HG21 VAL 5 36.819 2.224 -11.164 44 HG22 VAL 5 HG22 VAL 5 37.681 2.447 -9.640 45 HG23 VAL 5 HG23 VAL 5 37.244 3.847 -10.619 46 H GLY 6 HN GLY 6 34.139 0.977 -6.827 47 HA2 GLY 6 HA2 GLY 6 31.619 2.308 -7.015 48 HA3 GLY 6 HA1 GLY 6 31.445 0.576 -7.259 49 H THR 7 HN THR 7 32.518 -0.802 -5.548 50 HA THR 7 HA THR 7 32.441 0.455 -2.893 51 HB THR 7 HB THR 7 31.286 -1.651 -2.046 52 HG1 THR 7 HG1 THR 7 30.050 -2.034 -4.474 53 HG21 THR 7 HG21 THR 7 29.728 0.173 -3.884 54 HG22 THR 7 HG22 THR 7 30.124 0.494 -2.196 55 HG23 THR 7 HG23 THR 7 29.041 -0.836 -2.609 56 H CYS 8 HN CYS 8 34.261 0.068 -1.855 57 HA CYS 8 HA CYS 8 35.953 -2.175 -2.626 58 HB2 CYS 8 HB2 CYS 8 36.437 0.289 -0.942 59 HB3 CYS 8 HB1 CYS 8 37.635 -0.976 -1.189 60 HA PRO 9 HA PRO 9 35.036 -4.643 0.981 61 HB2 PRO 9 HB2 PRO 9 37.504 -5.706 1.564 62 HB3 PRO 9 HB1 PRO 9 36.468 -6.284 0.242 63 HG2 PRO 9 HG2 PRO 9 38.792 -4.422 0.141 64 HG3 PRO 9 HG1 PRO 9 38.368 -5.759 -0.954 65 HD2 PRO 9 HD2 PRO 9 37.871 -3.208 -1.612 66 HD3 PRO 9 HD1 PRO 9 36.758 -4.515 -2.062 67 H SER 10 HN SER 10 35.560 -4.958 3.279 68 HA SER 10 HA SER 10 36.114 -2.450 4.570 69 HB2 SER 10 HB2 SER 10 34.341 -4.059 5.324 70 HB3 SER 10 HB1 SER 10 35.624 -5.143 5.861 71 HG SER 10 HG SER 10 36.315 -3.500 7.285 72 H GLY 11 HN GLY 11 37.936 -1.767 5.466 73 HA2 GLY 11 HA2 GLY 11 39.923 -2.037 6.757 74 HA3 GLY 11 HA1 GLY 11 40.042 -3.695 6.170 75 H TYR 12 HN TYR 12 39.537 -0.718 4.309 76 HA TYR 12 HA TYR 12 42.220 -0.973 3.151 77 HB2 TYR 12 HB2 TYR 12 39.656 -1.364 1.754 78 HB3 TYR 12 HB1 TYR 12 40.755 -0.237 0.954 79 HD1 TYR 12 HD1 TYR 12 42.937 -0.990 0.152 80 HD2 TYR 12 HD2 TYR 12 40.169 -3.716 1.880 81 HE1 TYR 12 HE1 TYR 12 44.225 -2.865 -0.767 82 HE2 TYR 12 HE2 TYR 12 41.446 -5.606 0.958 83 HH TYR 12 HH TYR 12 43.028 -6.041 -0.875 84 H VAL 13 HN VAL 13 42.926 0.959 1.957 85 HA VAL 13 HA VAL 13 41.830 3.381 3.212 86 HB VAL 13 HB VAL 13 44.506 2.992 1.830 87 HG11 VAL 13 HG11 VAL 13 43.752 5.314 1.663 88 HG12 VAL 13 HG12 VAL 13 45.114 5.174 2.776 89 HG13 VAL 13 HG13 VAL 13 43.478 5.358 3.406 90 HG21 VAL 13 HG21 VAL 13 43.774 3.126 4.749 91 HG22 VAL 13 HG22 VAL 13 45.422 3.246 4.138 92 HG23 VAL 13 HG23 VAL 13 44.493 1.767 3.884 93 H ARG 14 HN ARG 14 40.371 4.420 2.025 94 HA ARG 14 HA ARG 14 40.482 4.315 -0.906 95 HB2 ARG 14 HB2 ARG 14 38.286 5.382 0.869 96 HB3 ARG 14 HB1 ARG 14 38.180 5.075 -0.863 97 HG2 ARG 14 HG2 ARG 14 38.373 2.680 -0.481 98 HG3 ARG 14 HG1 ARG 14 38.545 2.958 1.257 99 HD2 ARG 14 HD2 ARG 14 36.303 4.014 1.259 100 HD3 ARG 14 HD1 ARG 14 36.139 3.599 -0.446 101 HE ARG 14 HE ARG 14 36.696 1.224 0.759 102 HH11 ARG 14 HH11 ARG 14 34.216 3.657 1.274 103 HH12 ARG 14 HH12 ARG 14 33.052 2.512 1.851 104 HH21 ARG 14 HH21 ARG 14 33.584 0.301 1.990 105 HH22 ARG 14 HH22 ARG 14 35.157 -0.254 1.520 106 H ARG 15 HN ARG 15 41.897 5.888 -1.548 107 HA ARG 15 HA ARG 15 41.090 8.646 -1.102 108 HB2 ARG 15 HB2 ARG 15 43.808 7.597 -0.298 109 HB3 ARG 15 HB1 ARG 15 43.494 9.303 -0.589 110 HG2 ARG 15 HG2 ARG 15 42.033 9.460 1.245 111 HG3 ARG 15 HG1 ARG 15 41.881 7.702 1.385 112 HD2 ARG 15 HD2 ARG 15 44.245 7.573 2.048 113 HD3 ARG 15 HD1 ARG 15 44.378 9.326 1.918 114 HE ARG 15 HE ARG 15 42.286 8.759 3.672 115 HH11 ARG 15 HH11 ARG 15 45.775 8.370 3.585 116 HH12 ARG 15 HH12 ARG 15 45.942 8.458 5.307 117 HH21 ARG 15 HH21 ARG 15 42.528 8.871 5.922 118 HH22 ARG 15 HH22 ARG 15 44.104 8.743 6.628 119 H GLY 16 HN GLY 16 41.466 9.942 -2.821 120 HA2 GLY 16 HA2 GLY 16 42.304 10.670 -4.857 121 HA3 GLY 16 HA1 GLY 16 43.426 9.311 -4.848 122 H THR 17 HN THR 17 40.051 8.698 -4.371 123 HA THR 17 HA THR 17 38.399 7.718 -5.574 124 HB THR 17 HB THR 17 39.734 8.191 -8.220 125 HG1 THR 17 HG1 THR 17 39.911 10.249 -7.767 126 HG21 THR 17 HG21 THR 17 36.887 8.512 -7.247 127 HG22 THR 17 HG22 THR 17 37.520 7.134 -8.148 128 HG23 THR 17 HG23 THR 17 37.438 8.723 -8.909 129 H PHE 18 HN PHE 18 41.048 6.353 -4.879 130 HA PHE 18 HA PHE 18 40.419 3.845 -6.222 131 HB2 PHE 18 HB2 PHE 18 42.806 3.343 -6.700 132 HB3 PHE 18 HB1 PHE 18 42.187 4.686 -7.647 133 HD1 PHE 18 HD1 PHE 18 43.123 6.867 -7.448 134 HD2 PHE 18 HD2 PHE 18 44.394 3.747 -4.850 135 HE1 PHE 18 HE1 PHE 18 45.025 8.249 -6.726 136 HE2 PHE 18 HE2 PHE 18 46.298 5.124 -4.120 137 HZ PHE 18 HZ PHE 18 46.614 7.379 -5.058 138 H CYS 19 HN CYS 19 40.886 2.009 -5.050 139 HA CYS 19 HA CYS 19 41.588 2.468 -2.234 140 HB2 CYS 19 HB2 CYS 19 40.184 0.122 -3.542 141 HB3 CYS 19 HB1 CYS 19 40.512 0.279 -1.815 142 H PHE 20 HN PHE 20 43.482 1.789 -1.468 143 HA PHE 20 HA PHE 20 44.921 -0.301 -2.944 144 HB2 PHE 20 HB2 PHE 20 47.028 0.879 -2.632 145 HB3 PHE 20 HB1 PHE 20 45.874 1.944 -3.434 146 HD1 PHE 20 HD1 PHE 20 48.022 1.472 -0.599 147 HD2 PHE 20 HD2 PHE 20 44.737 3.744 -2.070 148 HE1 PHE 20 HE1 PHE 20 48.417 3.160 1.143 149 HE2 PHE 20 HE2 PHE 20 45.129 5.439 -0.328 150 HZ PHE 20 HZ PHE 20 46.967 5.139 1.284 151 HA PRO 21 HA PRO 21 45.530 -2.155 1.098 152 HB2 PRO 21 HB2 PRO 21 48.098 -3.326 0.442 153 HB3 PRO 21 HB1 PRO 21 46.515 -4.124 0.527 154 HG2 PRO 21 HG2 PRO 21 47.889 -3.793 -1.785 155 HG3 PRO 21 HG1 PRO 21 46.118 -3.879 -1.699 156 HD2 PRO 21 HD2 PRO 21 47.878 -1.461 -1.926 157 HD3 PRO 21 HD1 PRO 21 46.363 -1.844 -2.773 158 H ASP 22 HN ASP 22 46.274 -1.573 2.996 159 HA ASP 22 HA ASP 22 48.927 -0.678 3.544 160 HB2 ASP 22 HB2 ASP 22 47.834 1.367 2.473 161 HB3 ASP 22 HB1 ASP 22 46.774 1.425 3.877 162 H ASP 23 HN ASP 23 45.547 -0.457 4.661 163 HA ASP 23 HA ASP 23 46.255 -0.840 7.425 164 HB2 ASP 23 HB2 ASP 23 44.316 0.566 6.486 165 HB3 ASP 23 HB1 ASP 23 43.474 -0.962 6.259 166 H ASP 24 HN ASP 24 45.262 -2.840 4.742 167 HA ASP 24 HA ASP 24 45.490 -5.213 6.441 168 HB2 ASP 24 HB2 ASP 24 43.137 -4.582 4.654 169 HB3 ASP 24 HB1 ASP 24 43.522 -6.226 5.156 170 H TYR 25 HN TYR 25 47.238 -6.154 5.590 171 HA TYR 25 HA TYR 25 47.489 -6.330 2.666 172 HB2 TYR 25 HB2 TYR 25 49.317 -5.245 4.188 173 HB3 TYR 25 HB1 TYR 25 49.741 -6.909 4.569 174 HD1 TYR 25 HD1 TYR 25 50.769 -8.343 2.904 175 HD2 TYR 25 HD2 TYR 25 49.685 -4.341 1.954 176 HE1 TYR 25 HE1 TYR 25 52.139 -8.462 0.864 177 HE2 TYR 25 HE2 TYR 25 51.050 -4.448 -0.089 178 HH TYR 25 HH TYR 25 52.274 -7.356 -1.331 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 20.145 -5.220 -17.894 2 H2 PHE 1 HT2 PHE 1 19.853 -6.858 -18.198 3 H3 PHE 1 HT3 PHE 1 21.328 -6.164 -18.651 4 HA PHE 1 HA PHE 1 20.358 -6.462 -15.868 5 HB2 PHE 1 HB2 PHE 1 22.405 -8.030 -17.452 6 HB3 PHE 1 HB1 PHE 1 22.257 -8.113 -15.702 7 HD1 PHE 1 HD1 PHE 1 20.730 -9.016 -18.896 8 HD2 PHE 1 HD2 PHE 1 20.393 -9.243 -14.660 9 HE1 PHE 1 HE1 PHE 1 19.025 -10.773 -19.130 10 HE2 PHE 1 HE2 PHE 1 18.687 -11.002 -14.886 11 HZ PHE 1 HZ PHE 1 18.002 -11.769 -17.124 12 H GLY 2 HN GLY 2 21.749 -5.720 -14.272 13 HA2 GLY 2 HA2 GLY 2 24.069 -4.135 -15.171 14 HA3 GLY 2 HA1 GLY 2 22.876 -3.437 -14.088 15 H VAL 3 HN VAL 3 24.691 -3.075 -12.655 16 HA VAL 3 HA VAL 3 25.146 -5.388 -10.924 17 HB VAL 3 HB VAL 3 27.555 -4.602 -10.575 18 HG11 VAL 3 HG11 VAL 3 26.774 -5.868 -13.196 19 HG12 VAL 3 HG12 VAL 3 27.005 -6.694 -11.654 20 HG13 VAL 3 HG13 VAL 3 28.376 -5.937 -12.465 21 HG21 VAL 3 HG21 VAL 3 28.652 -3.517 -12.488 22 HG22 VAL 3 HG22 VAL 3 27.444 -2.461 -11.754 23 HG23 VAL 3 HG23 VAL 3 27.083 -3.298 -13.263 24 H ARG 4 HN ARG 4 25.719 -4.880 -8.752 25 HA ARG 4 HA ARG 4 25.165 -2.098 -7.951 26 HB2 ARG 4 HB2 ARG 4 23.324 -3.969 -7.599 27 HB3 ARG 4 HB1 ARG 4 24.305 -4.360 -6.195 28 HG2 ARG 4 HG2 ARG 4 24.052 -2.060 -5.384 29 HG3 ARG 4 HG1 ARG 4 23.047 -1.685 -6.787 30 HD2 ARG 4 HD2 ARG 4 21.426 -3.369 -6.077 31 HD3 ARG 4 HD1 ARG 4 22.434 -3.765 -4.687 32 HE ARG 4 HE ARG 4 21.820 -1.006 -4.687 33 HH11 ARG 4 HH11 ARG 4 19.157 -3.448 -2.930 34 HH12 ARG 4 HH12 ARG 4 20.305 -4.109 -4.044 35 HH21 ARG 4 HH21 ARG 4 20.307 -0.163 -3.224 36 HH22 ARG 4 HH22 ARG 4 19.160 -1.215 -2.467 37 H VAL 5 HN VAL 5 27.355 -4.608 -7.896 38 HA VAL 5 HA VAL 5 28.634 -3.597 -5.442 39 HB VAL 5 HB VAL 5 29.862 -5.833 -5.370 40 HG11 VAL 5 HG11 VAL 5 28.037 -6.931 -4.165 41 HG12 VAL 5 HG12 VAL 5 26.892 -5.788 -4.866 42 HG13 VAL 5 HG13 VAL 5 28.150 -5.216 -3.770 43 HG21 VAL 5 HG21 VAL 5 28.886 -7.758 -6.405 44 HG22 VAL 5 HG22 VAL 5 29.187 -6.571 -7.674 45 HG23 VAL 5 HG23 VAL 5 27.552 -6.808 -7.055 46 H GLY 6 HN GLY 6 30.390 -2.459 -5.761 47 HA2 GLY 6 HA2 GLY 6 32.452 -3.291 -7.597 48 HA3 GLY 6 HA1 GLY 6 31.620 -1.831 -8.103 49 H THR 7 HN THR 7 32.633 -3.009 -4.919 50 HA THR 7 HA THR 7 34.484 -0.752 -4.649 51 HB THR 7 HB THR 7 33.637 -0.425 -2.268 52 HG1 THR 7 HG1 THR 7 32.175 -2.468 -2.778 53 HG21 THR 7 HG21 THR 7 33.202 1.212 -4.028 54 HG22 THR 7 HG22 THR 7 31.810 1.068 -2.953 55 HG23 THR 7 HG23 THR 7 31.781 0.300 -4.540 56 H CYS 8 HN CYS 8 35.896 -0.978 -2.692 57 HA CYS 8 HA CYS 8 36.837 -3.714 -2.496 58 HB2 CYS 8 HB2 CYS 8 38.730 -2.666 -1.214 59 HB3 CYS 8 HB1 CYS 8 38.524 -2.050 -2.855 60 HA PRO 9 HA PRO 9 35.013 -4.745 1.439 61 HB2 PRO 9 HB2 PRO 9 37.014 -6.235 2.596 62 HB3 PRO 9 HB1 PRO 9 35.933 -6.848 1.325 63 HG2 PRO 9 HG2 PRO 9 38.705 -5.780 1.087 64 HG3 PRO 9 HG1 PRO 9 37.973 -7.204 0.311 65 HD2 PRO 9 HD2 PRO 9 38.285 -4.905 -1.025 66 HD3 PRO 9 HD1 PRO 9 36.856 -5.931 -1.272 67 H SER 10 HN SER 10 35.275 -4.571 3.793 68 HA SER 10 HA SER 10 36.202 -2.033 4.591 69 HB2 SER 10 HB2 SER 10 35.432 -4.416 6.288 70 HB3 SER 10 HB1 SER 10 35.618 -2.764 6.879 71 HG SER 10 HG SER 10 34.001 -2.666 4.797 72 H GLY 11 HN GLY 11 37.914 -1.361 5.831 73 HA2 GLY 11 HA2 GLY 11 39.888 -1.646 7.122 74 HA3 GLY 11 HA1 GLY 11 40.008 -3.299 6.525 75 H TYR 12 HN TYR 12 39.272 -1.004 4.126 76 HA TYR 12 HA TYR 12 42.031 -1.103 3.115 77 HB2 TYR 12 HB2 TYR 12 39.390 -1.357 1.874 78 HB3 TYR 12 HB1 TYR 12 40.456 -0.239 1.020 79 HD1 TYR 12 HD1 TYR 12 39.876 -3.728 1.946 80 HD2 TYR 12 HD2 TYR 12 42.516 -1.023 0.001 81 HE1 TYR 12 HE1 TYR 12 41.026 -5.625 0.881 82 HE2 TYR 12 HE2 TYR 12 43.676 -2.904 -1.064 83 HH TYR 12 HH TYR 12 42.417 -6.049 -1.117 84 H VAL 13 HN VAL 13 42.651 0.831 1.711 85 HA VAL 13 HA VAL 13 41.779 3.282 3.093 86 HB VAL 13 HB VAL 13 43.948 4.309 2.264 87 HG11 VAL 13 HG11 VAL 13 43.597 3.711 4.579 88 HG12 VAL 13 HG12 VAL 13 45.258 3.359 4.104 89 HG13 VAL 13 HG13 VAL 13 44.086 2.050 4.248 90 HG21 VAL 13 HG21 VAL 13 44.470 2.518 0.586 91 HG22 VAL 13 HG22 VAL 13 44.854 1.448 1.934 92 HG23 VAL 13 HG23 VAL 13 45.796 2.915 1.677 93 H ARG 14 HN ARG 14 40.389 4.455 1.964 94 HA ARG 14 HA ARG 14 40.515 4.453 -0.974 95 HB2 ARG 14 HB2 ARG 14 38.314 5.395 0.866 96 HB3 ARG 14 HB1 ARG 14 38.222 5.322 -0.893 97 HG2 ARG 14 HG2 ARG 14 38.418 2.877 -0.803 98 HG3 ARG 14 HG1 ARG 14 38.484 2.954 0.963 99 HD2 ARG 14 HD2 ARG 14 36.249 2.420 0.424 100 HD3 ARG 14 HD1 ARG 14 36.242 4.127 0.859 101 HE ARG 14 HE ARG 14 36.569 3.843 -1.933 102 HH11 ARG 14 HH11 ARG 14 34.091 3.532 0.537 103 HH12 ARG 14 HH12 ARG 14 32.794 3.878 -0.557 104 HH21 ARG 14 HH21 ARG 14 33.227 4.307 -2.755 105 HH22 ARG 14 HH22 ARG 14 34.854 4.292 -3.348 106 H ARG 15 HN ARG 15 41.971 6.025 -1.508 107 HA ARG 15 HA ARG 15 41.218 8.774 -0.928 108 HB2 ARG 15 HB2 ARG 15 43.916 7.640 -0.160 109 HB3 ARG 15 HB1 ARG 15 43.603 9.362 -0.316 110 HG2 ARG 15 HG2 ARG 15 41.771 7.821 1.440 111 HG3 ARG 15 HG1 ARG 15 43.431 8.067 2.014 112 HD2 ARG 15 HD2 ARG 15 43.174 10.488 1.703 113 HD3 ARG 15 HD1 ARG 15 41.523 10.237 1.137 114 HE ARG 15 HE ARG 15 41.721 9.057 3.644 115 HH11 ARG 15 HH11 ARG 15 41.925 12.298 2.308 116 HH12 ARG 15 HH12 ARG 15 41.362 13.056 3.761 117 HH21 ARG 15 HH21 ARG 15 40.989 10.069 5.535 118 HH22 ARG 15 HH22 ARG 15 40.834 11.793 5.586 119 H GLY 16 HN GLY 16 41.634 10.136 -2.582 120 HA2 GLY 16 HA2 GLY 16 42.529 10.951 -4.562 121 HA3 GLY 16 HA1 GLY 16 43.640 9.584 -4.586 122 H THR 17 HN THR 17 40.230 9.034 -4.243 123 HA THR 17 HA THR 17 38.600 8.142 -5.540 124 HB THR 17 HB THR 17 40.043 8.650 -8.120 125 HG1 THR 17 HG1 THR 17 39.988 10.767 -7.880 126 HG21 THR 17 HG21 THR 17 37.794 7.677 -8.159 127 HG22 THR 17 HG22 THR 17 37.792 9.295 -8.861 128 HG23 THR 17 HG23 THR 17 37.180 9.043 -7.227 129 H PHE 18 HN PHE 18 41.175 6.667 -4.787 130 HA PHE 18 HA PHE 18 40.551 4.248 -6.297 131 HB2 PHE 18 HB2 PHE 18 42.933 3.687 -6.631 132 HB3 PHE 18 HB1 PHE 18 42.472 5.143 -7.497 133 HD1 PHE 18 HD1 PHE 18 43.382 7.300 -6.874 134 HD2 PHE 18 HD2 PHE 18 44.463 3.771 -4.758 135 HE1 PHE 18 HE1 PHE 18 45.274 8.496 -5.853 136 HE2 PHE 18 HE2 PHE 18 46.355 4.963 -3.729 137 HZ PHE 18 HZ PHE 18 46.763 7.328 -4.276 138 H CYS 19 HN CYS 19 40.929 2.316 -5.219 139 HA CYS 19 HA CYS 19 41.515 2.582 -2.341 140 HB2 CYS 19 HB2 CYS 19 39.179 1.912 -2.881 141 HB3 CYS 19 HB1 CYS 19 39.805 0.491 -3.719 142 H PHE 20 HN PHE 20 43.397 1.743 -1.742 143 HA PHE 20 HA PHE 20 44.403 -0.622 -3.162 144 HB2 PHE 20 HB2 PHE 20 46.663 0.242 -3.120 145 HB3 PHE 20 HB1 PHE 20 45.615 1.449 -3.860 146 HD1 PHE 20 HD1 PHE 20 47.915 0.714 -1.196 147 HD2 PHE 20 HD2 PHE 20 44.961 3.475 -2.520 148 HE1 PHE 20 HE1 PHE 20 48.767 2.383 0.396 149 HE2 PHE 20 HE2 PHE 20 45.809 5.149 -0.930 150 HZ PHE 20 HZ PHE 20 47.712 4.599 0.535 151 HA PRO 21 HA PRO 21 45.087 -2.341 0.919 152 HB2 PRO 21 HB2 PRO 21 47.541 -3.722 0.242 153 HB3 PRO 21 HB1 PRO 21 45.909 -4.397 0.409 154 HG2 PRO 21 HG2 PRO 21 47.225 -4.268 -1.958 155 HG3 PRO 21 HG1 PRO 21 45.456 -4.220 -1.814 156 HD2 PRO 21 HD2 PRO 21 47.379 -1.953 -2.204 157 HD3 PRO 21 HD1 PRO 21 45.808 -2.251 -2.984 158 H ASP 22 HN ASP 22 45.853 -1.589 2.739 159 HA ASP 22 HA ASP 22 48.611 -0.943 3.195 160 HB2 ASP 22 HB2 ASP 22 47.708 1.116 2.017 161 HB3 ASP 22 HB1 ASP 22 46.629 1.343 3.390 162 H ASP 23 HN ASP 23 45.307 -0.298 4.384 163 HA ASP 23 HA ASP 23 46.137 -0.831 7.127 164 HB2 ASP 23 HB2 ASP 23 44.608 1.117 6.313 165 HB3 ASP 23 HB1 ASP 23 43.343 -0.107 6.287 166 H ASP 24 HN ASP 24 44.981 -2.595 4.527 167 HA ASP 24 HA ASP 24 43.403 -4.465 6.135 168 HB2 ASP 24 HB2 ASP 24 42.798 -3.581 3.741 169 HB3 ASP 24 HB1 ASP 24 43.930 -4.816 3.201 170 H TYR 25 HN TYR 25 46.323 -4.383 4.111 171 HA TYR 25 HA TYR 25 47.161 -6.937 5.322 172 HB2 TYR 25 HB2 TYR 25 47.655 -5.889 2.532 173 HB3 TYR 25 HB1 TYR 25 48.553 -7.237 3.221 174 HD1 TYR 25 HD1 TYR 25 47.460 -9.386 3.616 175 HD2 TYR 25 HD2 TYR 25 45.341 -6.137 1.869 176 HE1 TYR 25 HE1 TYR 25 45.695 -10.937 2.889 177 HE2 TYR 25 HE2 TYR 25 43.569 -7.678 1.139 178 HH TYR 25 HH TYR 25 43.316 -10.863 2.280 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 20.075 5.994 -4.943 2 H2 PHE 1 HT2 PHE 1 21.717 6.171 -5.309 3 H3 PHE 1 HT3 PHE 1 21.007 4.637 -5.339 4 HA PHE 1 HA PHE 1 19.620 5.256 -7.188 5 HB2 PHE 1 HB2 PHE 1 21.048 7.906 -6.905 6 HB3 PHE 1 HB1 PHE 1 20.144 7.445 -8.343 7 HD1 PHE 1 HD1 PHE 1 17.728 7.323 -8.307 8 HD2 PHE 1 HD2 PHE 1 19.921 8.440 -4.836 9 HE1 PHE 1 HE1 PHE 1 15.659 8.166 -7.276 10 HE2 PHE 1 HE2 PHE 1 17.857 9.285 -3.798 11 HZ PHE 1 HZ PHE 1 15.721 9.149 -5.018 12 H GLY 2 HN GLY 2 23.021 6.124 -6.669 13 HA2 GLY 2 HA2 GLY 2 23.766 4.327 -8.861 14 HA3 GLY 2 HA1 GLY 2 24.326 5.989 -8.940 15 H VAL 3 HN VAL 3 25.892 3.553 -8.793 16 HA VAL 3 HA VAL 3 27.407 4.158 -6.346 17 HB VAL 3 HB VAL 3 28.096 1.692 -6.311 18 HG11 VAL 3 HG11 VAL 3 26.695 2.693 -4.608 19 HG12 VAL 3 HG12 VAL 3 26.146 1.056 -4.968 20 HG13 VAL 3 HG13 VAL 3 25.264 2.442 -5.607 21 HG21 VAL 3 HG21 VAL 3 27.205 1.009 -8.486 22 HG22 VAL 3 HG22 VAL 3 25.570 1.385 -7.944 23 HG23 VAL 3 HG23 VAL 3 26.469 0.074 -7.182 24 H ARG 4 HN ARG 4 29.410 4.754 -6.731 25 HA ARG 4 HA ARG 4 30.775 3.774 -9.148 26 HB2 ARG 4 HB2 ARG 4 30.629 6.595 -8.103 27 HB3 ARG 4 HB1 ARG 4 31.913 6.071 -9.181 28 HG2 ARG 4 HG2 ARG 4 30.237 5.457 -10.864 29 HG3 ARG 4 HG1 ARG 4 28.962 6.019 -9.782 30 HD2 ARG 4 HD2 ARG 4 29.908 8.269 -9.828 31 HD3 ARG 4 HD1 ARG 4 31.200 7.711 -10.890 32 HE ARG 4 HE ARG 4 28.675 7.132 -12.026 33 HH11 ARG 4 HH11 ARG 4 30.229 10.753 -12.805 34 HH12 ARG 4 HH12 ARG 4 30.831 9.845 -11.460 35 HH21 ARG 4 HH21 ARG 4 27.903 8.338 -13.782 36 HH22 ARG 4 HH22 ARG 4 28.572 9.899 -14.118 37 H VAL 5 HN VAL 5 31.030 4.895 -5.834 38 HA VAL 5 HA VAL 5 33.769 3.816 -5.719 39 HB VAL 5 HB VAL 5 34.084 5.307 -3.674 40 HG11 VAL 5 HG11 VAL 5 34.707 7.251 -5.034 41 HG12 VAL 5 HG12 VAL 5 33.779 6.593 -6.382 42 HG13 VAL 5 HG13 VAL 5 35.195 5.729 -5.782 43 HG21 VAL 5 HG21 VAL 5 32.756 7.281 -3.419 44 HG22 VAL 5 HG22 VAL 5 31.657 5.903 -3.413 45 HG23 VAL 5 HG23 VAL 5 31.810 6.903 -4.858 46 H GLY 6 HN GLY 6 34.132 2.153 -4.437 47 HA2 GLY 6 HA2 GLY 6 33.760 1.298 -2.091 48 HA3 GLY 6 HA1 GLY 6 32.052 1.410 -2.478 49 H THR 7 HN THR 7 34.912 0.128 -4.139 50 HA THR 7 HA THR 7 33.401 -2.283 -4.842 51 HB THR 7 HB THR 7 35.412 -2.753 -6.333 52 HG1 THR 7 HG1 THR 7 36.920 -1.355 -5.424 53 HG21 THR 7 HG21 THR 7 34.683 -1.173 -8.065 54 HG22 THR 7 HG22 THR 7 33.813 -0.241 -6.846 55 HG23 THR 7 HG23 THR 7 33.308 -1.887 -7.223 56 H CYS 8 HN CYS 8 36.214 -1.233 -3.031 57 HA CYS 8 HA CYS 8 37.071 -3.960 -2.485 58 HB2 CYS 8 HB2 CYS 8 38.909 -2.861 -1.218 59 HB3 CYS 8 HB1 CYS 8 38.814 -2.334 -2.900 60 HA PRO 9 HA PRO 9 34.882 -4.381 1.382 61 HB2 PRO 9 HB2 PRO 9 36.603 -5.964 2.807 62 HB3 PRO 9 HB1 PRO 9 35.578 -6.573 1.489 63 HG2 PRO 9 HG2 PRO 9 38.462 -5.824 1.444 64 HG3 PRO 9 HG1 PRO 9 37.645 -7.219 0.700 65 HD2 PRO 9 HD2 PRO 9 38.339 -5.044 -0.730 66 HD3 PRO 9 HD1 PRO 9 36.877 -5.984 -1.091 67 H SER 10 HN SER 10 35.024 -3.990 3.726 68 HA SER 10 HA SER 10 36.199 -1.508 4.346 69 HB2 SER 10 HB2 SER 10 34.148 -2.483 5.420 70 HB3 SER 10 HB1 SER 10 35.203 -3.568 6.326 71 HG SER 10 HG SER 10 35.158 -1.948 7.691 72 H GLY 11 HN GLY 11 37.963 -0.907 5.518 73 HA2 GLY 11 HA2 GLY 11 39.769 -1.395 7.063 74 HA3 GLY 11 HA1 GLY 11 39.823 -3.026 6.398 75 H TYR 12 HN TYR 12 39.353 -0.837 3.927 76 HA TYR 12 HA TYR 12 42.192 -0.926 3.179 77 HB2 TYR 12 HB2 TYR 12 39.633 -1.035 1.683 78 HB3 TYR 12 HB1 TYR 12 40.953 -0.156 0.906 79 HD1 TYR 12 HD1 TYR 12 39.805 -3.441 2.086 80 HD2 TYR 12 HD2 TYR 12 42.913 -1.304 0.126 81 HE1 TYR 12 HE1 TYR 12 40.773 -5.569 1.315 82 HE2 TYR 12 HE2 TYR 12 43.892 -3.417 -0.648 83 HH TYR 12 HH TYR 12 42.239 -6.378 -0.490 84 H VAL 13 HN VAL 13 42.976 0.969 1.846 85 HA VAL 13 HA VAL 13 42.099 3.455 3.146 86 HB VAL 13 HB VAL 13 44.671 2.914 1.625 87 HG11 VAL 13 HG11 VAL 13 43.855 5.327 3.252 88 HG12 VAL 13 HG12 VAL 13 44.058 5.274 1.501 89 HG13 VAL 13 HG13 VAL 13 45.452 5.052 2.557 90 HG21 VAL 13 HG21 VAL 13 44.608 1.683 3.714 91 HG22 VAL 13 HG22 VAL 13 44.165 3.148 4.589 92 HG23 VAL 13 HG23 VAL 13 45.751 3.020 3.832 93 H ARG 14 HN ARG 14 40.479 4.322 2.009 94 HA ARG 14 HA ARG 14 40.592 4.398 -0.925 95 HB2 ARG 14 HB2 ARG 14 38.322 5.175 0.907 96 HB3 ARG 14 HB1 ARG 14 38.238 4.983 -0.842 97 HG2 ARG 14 HG2 ARG 14 38.606 2.591 -0.632 98 HG3 ARG 14 HG1 ARG 14 38.772 2.754 1.123 99 HD2 ARG 14 HD2 ARG 14 36.458 3.644 1.204 100 HD3 ARG 14 HD1 ARG 14 36.311 3.330 -0.525 101 HE ARG 14 HE ARG 14 37.058 0.931 0.536 102 HH11 ARG 14 HH11 ARG 14 34.391 3.128 1.160 103 HH12 ARG 14 HH12 ARG 14 33.313 1.864 1.652 104 HH21 ARG 14 HH21 ARG 14 34.016 -0.305 1.667 105 HH22 ARG 14 HH22 ARG 14 35.631 -0.707 1.187 106 H ARG 15 HN ARG 15 41.886 6.105 -1.459 107 HA ARG 15 HA ARG 15 40.875 8.765 -0.862 108 HB2 ARG 15 HB2 ARG 15 43.658 7.876 -0.088 109 HB3 ARG 15 HB1 ARG 15 43.219 9.567 -0.281 110 HG2 ARG 15 HG2 ARG 15 41.745 9.508 1.546 111 HG3 ARG 15 HG1 ARG 15 41.714 7.739 1.576 112 HD2 ARG 15 HD2 ARG 15 44.070 7.726 2.264 113 HD3 ARG 15 HD1 ARG 15 44.097 9.489 2.226 114 HE ARG 15 HE ARG 15 42.029 8.633 3.928 115 HH11 ARG 15 HH11 ARG 15 45.539 8.739 3.851 116 HH12 ARG 15 HH12 ARG 15 45.689 8.808 5.575 117 HH21 ARG 15 HH21 ARG 15 42.248 8.726 6.183 118 HH22 ARG 15 HH22 ARG 15 43.826 8.801 6.892 119 H GLY 16 HN GLY 16 41.056 10.097 -2.571 120 HA2 GLY 16 HA2 GLY 16 41.827 10.994 -4.566 121 HA3 GLY 16 HA1 GLY 16 43.134 9.812 -4.559 122 H THR 17 HN THR 17 39.735 8.998 -4.293 123 HA THR 17 HA THR 17 38.291 7.765 -5.499 124 HB THR 17 HB THR 17 38.188 7.996 -7.956 125 HG1 THR 17 HG1 THR 17 39.709 9.457 -8.944 126 HG21 THR 17 HG21 THR 17 37.119 9.680 -6.554 127 HG22 THR 17 HG22 THR 17 37.764 10.411 -8.024 128 HG23 THR 17 HG23 THR 17 38.620 10.603 -6.494 129 H PHE 18 HN PHE 18 41.034 6.636 -4.802 130 HA PHE 18 HA PHE 18 40.705 4.181 -6.362 131 HB2 PHE 18 HB2 PHE 18 43.129 3.877 -6.607 132 HB3 PHE 18 HB1 PHE 18 42.589 5.339 -7.413 133 HD1 PHE 18 HD1 PHE 18 44.461 4.004 -4.540 134 HD2 PHE 18 HD2 PHE 18 43.386 7.487 -6.733 135 HE1 PHE 18 HE1 PHE 18 46.203 5.279 -3.361 136 HE2 PHE 18 HE2 PHE 18 45.123 8.769 -5.556 137 HZ PHE 18 HZ PHE 18 46.535 7.665 -3.867 138 H CYS 19 HN CYS 19 41.203 2.268 -5.304 139 HA CYS 19 HA CYS 19 41.622 2.510 -2.395 140 HB2 CYS 19 HB2 CYS 19 39.368 1.688 -3.044 141 HB3 CYS 19 HB1 CYS 19 40.127 0.338 -3.890 142 H PHE 20 HN PHE 20 43.457 1.672 -1.638 143 HA PHE 20 HA PHE 20 44.727 -0.509 -3.131 144 HB2 PHE 20 HB2 PHE 20 46.930 0.478 -2.811 145 HB3 PHE 20 HB1 PHE 20 45.876 1.637 -3.621 146 HD1 PHE 20 HD1 PHE 20 47.939 0.968 -0.751 147 HD2 PHE 20 HD2 PHE 20 44.933 3.555 -2.296 148 HE1 PHE 20 HE1 PHE 20 48.484 2.628 0.980 149 HE2 PHE 20 HE2 PHE 20 45.475 5.220 -0.568 150 HZ PHE 20 HZ PHE 20 47.248 4.752 1.075 151 HA PRO 21 HA PRO 21 45.190 -2.397 0.911 152 HB2 PRO 21 HB2 PRO 21 47.582 -3.868 0.275 153 HB3 PRO 21 HB1 PRO 21 45.906 -4.454 0.263 154 HG2 PRO 21 HG2 PRO 21 47.453 -4.201 -1.976 155 HG3 PRO 21 HG1 PRO 21 45.679 -4.151 -1.974 156 HD2 PRO 21 HD2 PRO 21 47.631 -1.880 -2.066 157 HD3 PRO 21 HD1 PRO 21 46.117 -2.108 -2.968 158 H ASP 22 HN ASP 22 45.981 -1.895 2.804 159 HA ASP 22 HA ASP 22 48.729 -1.308 3.343 160 HB2 ASP 22 HB2 ASP 22 47.851 0.856 2.328 161 HB3 ASP 22 HB1 ASP 22 46.785 0.982 3.725 162 H ASP 23 HN ASP 23 45.412 -0.730 4.524 163 HA ASP 23 HA ASP 23 46.184 -1.502 7.228 164 HB2 ASP 23 HB2 ASP 23 44.736 0.546 6.626 165 HB3 ASP 23 HB1 ASP 23 43.440 -0.611 6.350 166 H ASP 24 HN ASP 24 44.851 -2.903 4.434 167 HA ASP 24 HA ASP 24 43.887 -5.205 5.996 168 HB2 ASP 24 HB2 ASP 24 42.090 -3.701 4.836 169 HB3 ASP 24 HB1 ASP 24 42.634 -4.486 3.358 170 H TYR 25 HN TYR 25 45.502 -6.626 5.722 171 HA TYR 25 HA TYR 25 46.940 -8.111 4.809 172 HB2 TYR 25 HB2 TYR 25 45.152 -7.772 2.396 173 HB3 TYR 25 HB1 TYR 25 46.462 -8.944 2.471 174 HD1 TYR 25 HD1 TYR 25 46.298 -10.905 3.910 175 HD2 TYR 25 HD2 TYR 25 43.121 -8.085 3.682 176 HE1 TYR 25 HE1 TYR 25 44.793 -12.522 4.989 177 HE2 TYR 25 HE2 TYR 25 41.607 -9.694 4.762 178 HH TYR 25 HH TYR 25 42.709 -12.512 6.293 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 29.383 12.100 -21.389 2 H2 PHE 1 HT2 PHE 1 31.010 11.891 -21.796 3 H3 PHE 1 HT3 PHE 1 30.593 12.615 -20.326 4 HA PHE 1 HA PHE 1 29.612 10.577 -19.540 5 HB2 PHE 1 HB2 PHE 1 30.487 9.545 -22.245 6 HB3 PHE 1 HB1 PHE 1 30.039 8.493 -20.906 7 HD1 PHE 1 HD1 PHE 1 28.825 10.841 -23.427 8 HD2 PHE 1 HD2 PHE 1 27.735 8.300 -20.192 9 HE1 PHE 1 HE1 PHE 1 26.464 10.999 -24.103 10 HE2 PHE 1 HE2 PHE 1 25.373 8.453 -20.862 11 HZ PHE 1 HZ PHE 1 24.735 9.804 -22.820 12 H GLY 2 HN GLY 2 30.857 9.383 -18.175 13 HA2 GLY 2 HA2 GLY 2 33.231 8.215 -18.295 14 HA3 GLY 2 HA1 GLY 2 33.731 9.898 -18.271 15 H VAL 3 HN VAL 3 31.948 7.430 -16.485 16 HA VAL 3 HA VAL 3 32.825 8.670 -13.982 17 HB VAL 3 HB VAL 3 30.550 8.096 -12.960 18 HG11 VAL 3 HG11 VAL 3 30.752 10.361 -14.937 19 HG12 VAL 3 HG12 VAL 3 31.318 10.372 -13.268 20 HG13 VAL 3 HG13 VAL 3 29.593 10.258 -13.612 21 HG21 VAL 3 HG21 VAL 3 28.607 8.193 -14.461 22 HG22 VAL 3 HG22 VAL 3 29.612 6.783 -14.798 23 HG23 VAL 3 HG23 VAL 3 29.685 8.192 -15.857 24 H ARG 4 HN ARG 4 33.822 7.247 -12.760 25 HA ARG 4 HA ARG 4 33.366 4.383 -13.209 26 HB2 ARG 4 HB2 ARG 4 35.656 5.918 -11.989 27 HB3 ARG 4 HB1 ARG 4 35.512 4.173 -11.831 28 HG2 ARG 4 HG2 ARG 4 35.565 3.950 -14.268 29 HG3 ARG 4 HG1 ARG 4 35.723 5.702 -14.419 30 HD2 ARG 4 HD2 ARG 4 37.831 5.618 -13.181 31 HD3 ARG 4 HD1 ARG 4 37.670 3.869 -13.023 32 HE ARG 4 HE ARG 4 37.556 4.573 -15.745 33 HH11 ARG 4 HH11 ARG 4 41.237 4.145 -14.196 34 HH12 ARG 4 HH12 ARG 4 39.896 4.403 -13.130 35 HH21 ARG 4 HH21 ARG 4 39.327 4.233 -17.118 36 HH22 ARG 4 HH22 ARG 4 40.914 4.049 -16.451 37 H VAL 5 HN VAL 5 32.922 2.966 -11.543 38 HA VAL 5 HA VAL 5 32.426 4.068 -8.877 39 HB VAL 5 HB VAL 5 30.266 2.701 -8.769 40 HG11 VAL 5 HG11 VAL 5 30.293 5.122 -8.748 41 HG12 VAL 5 HG12 VAL 5 28.931 4.533 -9.702 42 HG13 VAL 5 HG13 VAL 5 30.370 5.158 -10.510 43 HG21 VAL 5 HG21 VAL 5 29.042 2.399 -10.878 44 HG22 VAL 5 HG22 VAL 5 30.506 1.417 -10.836 45 HG23 VAL 5 HG23 VAL 5 30.471 2.907 -11.780 46 H GLY 6 HN GLY 6 33.421 2.881 -7.422 47 HA2 GLY 6 HA2 GLY 6 33.315 -0.017 -7.510 48 HA3 GLY 6 HA1 GLY 6 34.919 0.670 -7.704 49 H THR 7 HN THR 7 33.848 -1.025 -5.572 50 HA THR 7 HA THR 7 34.568 0.689 -3.302 51 HB THR 7 HB THR 7 32.849 -0.575 -1.910 52 HG1 THR 7 HG1 THR 7 30.994 -1.060 -3.585 53 HG21 THR 7 HG21 THR 7 31.841 1.304 -4.049 54 HG22 THR 7 HG22 THR 7 32.559 1.776 -2.509 55 HG23 THR 7 HG23 THR 7 31.012 0.928 -2.538 56 H CYS 8 HN CYS 8 35.907 -0.234 -1.865 57 HA CYS 8 HA CYS 8 36.757 -2.991 -2.377 58 HB2 CYS 8 HB2 CYS 8 38.740 -2.333 -0.949 59 HB3 CYS 8 HB1 CYS 8 38.578 -1.451 -2.470 60 HA PRO 9 HA PRO 9 34.952 -4.648 1.345 61 HB2 PRO 9 HB2 PRO 9 36.945 -6.341 2.222 62 HB3 PRO 9 HB1 PRO 9 35.821 -6.726 0.900 63 HG2 PRO 9 HG2 PRO 9 38.610 -5.680 0.761 64 HG3 PRO 9 HG1 PRO 9 37.833 -6.955 -0.209 65 HD2 PRO 9 HD2 PRO 9 38.157 -4.501 -1.198 66 HD3 PRO 9 HD1 PRO 9 36.679 -5.428 -1.528 67 H SER 10 HN SER 10 35.234 -4.871 3.694 68 HA SER 10 HA SER 10 36.140 -2.521 4.915 69 HB2 SER 10 HB2 SER 10 35.540 -5.205 6.177 70 HB3 SER 10 HB1 SER 10 35.688 -3.680 7.051 71 HG SER 10 HG SER 10 33.705 -4.489 5.216 72 H GLY 11 HN GLY 11 37.984 -1.882 5.819 73 HA2 GLY 11 HA2 GLY 11 40.032 -2.197 6.996 74 HA3 GLY 11 HA1 GLY 11 40.112 -3.838 6.360 75 H TYR 12 HN TYR 12 39.414 -0.957 4.467 76 HA TYR 12 HA TYR 12 42.049 -1.147 3.171 77 HB2 TYR 12 HB2 TYR 12 39.400 -1.553 2.004 78 HB3 TYR 12 HB1 TYR 12 40.332 -0.314 1.157 79 HD1 TYR 12 HD1 TYR 12 42.495 -0.893 0.123 80 HD2 TYR 12 HD2 TYR 12 39.998 -3.865 1.861 81 HE1 TYR 12 HE1 TYR 12 43.756 -2.632 -1.063 82 HE2 TYR 12 HE2 TYR 12 41.250 -5.618 0.675 83 HH TYR 12 HH TYR 12 42.667 -5.838 -1.323 84 H VAL 13 HN VAL 13 42.537 0.845 1.817 85 HA VAL 13 HA VAL 13 41.499 3.226 3.215 86 HB VAL 13 HB VAL 13 43.652 4.372 2.521 87 HG11 VAL 13 HG11 VAL 13 44.926 3.440 4.404 88 HG12 VAL 13 HG12 VAL 13 43.806 2.079 4.469 89 HG13 VAL 13 HG13 VAL 13 43.230 3.713 4.804 90 HG21 VAL 13 HG21 VAL 13 44.708 1.564 2.170 91 HG22 VAL 13 HG22 VAL 13 45.600 3.075 2.007 92 HG23 VAL 13 HG23 VAL 13 44.351 2.658 0.834 93 H ARG 14 HN ARG 14 40.182 4.436 2.033 94 HA ARG 14 HA ARG 14 40.371 4.364 -0.897 95 HB2 ARG 14 HB2 ARG 14 38.189 5.471 0.875 96 HB3 ARG 14 HB1 ARG 14 38.120 5.337 -0.881 97 HG2 ARG 14 HG2 ARG 14 38.198 2.894 -0.702 98 HG3 ARG 14 HG1 ARG 14 38.249 3.030 1.061 99 HD2 ARG 14 HD2 ARG 14 36.070 4.142 1.034 100 HD3 ARG 14 HD1 ARG 14 36.022 4.012 -0.723 101 HE ARG 14 HE ARG 14 36.387 1.450 0.338 102 HH11 ARG 14 HH11 ARG 14 33.883 3.910 0.238 103 HH12 ARG 14 HH12 ARG 14 32.591 2.761 0.362 104 HH21 ARG 14 HH21 ARG 14 33.045 0.532 0.509 105 HH22 ARG 14 HH22 ARG 14 34.681 -0.034 0.498 106 H ARG 15 HN ARG 15 41.914 5.836 -1.455 107 HA ARG 15 HA ARG 15 41.287 8.641 -1.053 108 HB2 ARG 15 HB2 ARG 15 43.867 7.426 -0.044 109 HB3 ARG 15 HB1 ARG 15 43.676 9.144 -0.348 110 HG2 ARG 15 HG2 ARG 15 41.674 7.832 1.420 111 HG3 ARG 15 HG1 ARG 15 43.307 8.083 2.059 112 HD2 ARG 15 HD2 ARG 15 43.146 10.473 1.522 113 HD3 ARG 15 HD1 ARG 15 41.521 10.218 0.889 114 HE ARG 15 HE ARG 15 41.575 9.266 3.511 115 HH11 ARG 15 HH11 ARG 15 41.849 12.357 1.865 116 HH12 ARG 15 HH12 ARG 15 41.213 13.254 3.202 117 HH21 ARG 15 HH21 ARG 15 40.746 10.462 5.248 118 HH22 ARG 15 HH22 ARG 15 40.590 12.182 5.116 119 H GLY 16 HN GLY 16 41.859 9.868 -2.768 120 HA2 GLY 16 HA2 GLY 16 42.926 10.515 -4.723 121 HA3 GLY 16 HA1 GLY 16 43.975 9.107 -4.583 122 H THR 17 HN THR 17 40.452 9.475 -4.861 123 HA THR 17 HA THR 17 38.871 8.455 -6.091 124 HB THR 17 HB THR 17 39.645 10.170 -7.676 125 HG1 THR 17 HG1 THR 17 37.923 8.545 -8.129 126 HG21 THR 17 HG21 THR 17 41.249 7.956 -8.977 127 HG22 THR 17 HG22 THR 17 41.914 9.376 -8.169 128 HG23 THR 17 HG23 THR 17 40.974 9.564 -9.649 129 H PHE 18 HN PHE 18 41.078 6.606 -5.093 130 HA PHE 18 HA PHE 18 39.993 4.218 -6.245 131 HB2 PHE 18 HB2 PHE 18 42.322 3.255 -6.802 132 HB3 PHE 18 HB1 PHE 18 41.570 4.319 -7.975 133 HD1 PHE 18 HD1 PHE 18 42.940 5.839 -8.996 134 HD2 PHE 18 HD2 PHE 18 43.886 4.600 -5.030 135 HE1 PHE 18 HE1 PHE 18 44.983 7.204 -9.057 136 HE2 PHE 18 HE2 PHE 18 45.927 5.970 -5.088 137 HZ PHE 18 HZ PHE 18 46.477 7.274 -7.102 138 H CYS 19 HN CYS 19 40.416 2.354 -5.052 139 HA CYS 19 HA CYS 19 41.426 2.877 -2.347 140 HB2 CYS 19 HB2 CYS 19 39.095 1.997 -2.662 141 HB3 CYS 19 HB1 CYS 19 39.797 0.521 -3.328 142 H PHE 20 HN PHE 20 43.254 1.975 -1.622 143 HA PHE 20 HA PHE 20 44.398 -0.276 -3.122 144 HB2 PHE 20 HB2 PHE 20 46.621 0.697 -2.986 145 HB3 PHE 20 HB1 PHE 20 45.527 1.860 -3.734 146 HD1 PHE 20 HD1 PHE 20 44.685 3.796 -2.346 147 HD2 PHE 20 HD2 PHE 20 47.812 1.218 -1.042 148 HE1 PHE 20 HE1 PHE 20 45.378 5.478 -0.688 149 HE2 PHE 20 HE2 PHE 20 48.511 2.897 0.614 150 HZ PHE 20 HZ PHE 20 47.290 5.023 0.799 151 HA PRO 21 HA PRO 21 45.124 -2.082 0.924 152 HB2 PRO 21 HB2 PRO 21 47.603 -3.389 0.219 153 HB3 PRO 21 HB1 PRO 21 45.981 -4.102 0.335 154 HG2 PRO 21 HG2 PRO 21 47.343 -3.847 -2.003 155 HG3 PRO 21 HG1 PRO 21 45.572 -3.868 -1.890 156 HD2 PRO 21 HD2 PRO 21 47.415 -1.521 -2.170 157 HD3 PRO 21 HD1 PRO 21 45.866 -1.845 -2.980 158 H ASP 22 HN ASP 22 45.896 -1.398 2.771 159 HA ASP 22 HA ASP 22 48.633 -0.666 3.218 160 HB2 ASP 22 HB2 ASP 22 47.637 1.406 2.143 161 HB3 ASP 22 HB1 ASP 22 46.570 1.533 3.539 162 H ASP 23 HN ASP 23 45.322 -0.207 4.474 163 HA ASP 23 HA ASP 23 46.197 -0.770 7.189 164 HB2 ASP 23 HB2 ASP 23 44.519 1.068 6.437 165 HB3 ASP 23 HB1 ASP 23 43.352 -0.249 6.349 166 H ASP 24 HN ASP 24 45.436 -2.651 4.612 167 HA ASP 24 HA ASP 24 43.801 -4.613 6.025 168 HB2 ASP 24 HB2 ASP 24 43.623 -3.884 3.501 169 HB3 ASP 24 HB1 ASP 24 44.911 -5.063 3.276 170 H TYR 25 HN TYR 25 47.044 -4.334 4.597 171 HA TYR 25 HA TYR 25 47.883 -6.655 6.200 172 HB2 TYR 25 HB2 TYR 25 48.601 -6.027 3.334 173 HB3 TYR 25 HB1 TYR 25 49.534 -7.144 4.322 174 HD1 TYR 25 HD1 TYR 25 46.441 -6.637 2.466 175 HD2 TYR 25 HD2 TYR 25 48.562 -9.290 5.028 176 HE1 TYR 25 HE1 TYR 25 44.901 -8.453 1.851 177 HE2 TYR 25 HE2 TYR 25 47.028 -11.113 4.419 178 HH TYR 25 HH TYR 25 44.876 -10.909 1.805 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 19.092 6.612 5.167 2 H2 PHE 1 HT2 PHE 1 17.999 5.375 5.536 3 H3 PHE 1 HT3 PHE 1 18.424 5.675 3.926 4 HA PHE 1 HA PHE 1 20.684 5.006 4.345 5 HB2 PHE 1 HB2 PHE 1 19.640 4.553 7.146 6 HB3 PHE 1 HB1 PHE 1 21.155 3.877 6.560 7 HD1 PHE 1 HD1 PHE 1 19.412 6.919 7.584 8 HD2 PHE 1 HD2 PHE 1 23.080 5.290 6.166 9 HE1 PHE 1 HE1 PHE 1 20.572 8.998 8.206 10 HE2 PHE 1 HE2 PHE 1 24.246 7.366 6.785 11 HZ PHE 1 HZ PHE 1 22.990 9.224 7.807 12 H GLY 2 HN GLY 2 21.285 2.886 3.916 13 HA2 GLY 2 HA2 GLY 2 20.050 0.526 4.528 14 HA3 GLY 2 HA1 GLY 2 19.137 1.136 3.157 15 H VAL 3 HN VAL 3 22.599 1.068 3.997 16 HA VAL 3 HA VAL 3 23.133 -0.565 1.632 17 HB VAL 3 HB VAL 3 25.156 0.914 1.111 18 HG11 VAL 3 HG11 VAL 3 22.382 1.964 0.579 19 HG12 VAL 3 HG12 VAL 3 23.240 0.740 -0.358 20 HG13 VAL 3 HG13 VAL 3 23.833 2.400 -0.323 21 HG21 VAL 3 HG21 VAL 3 25.138 2.323 3.108 22 HG22 VAL 3 HG22 VAL 3 23.550 2.949 2.667 23 HG23 VAL 3 HG23 VAL 3 24.947 3.301 1.653 24 H ARG 4 HN ARG 4 24.322 -2.233 2.192 25 HA ARG 4 HA ARG 4 26.088 -2.021 4.535 26 HB2 ARG 4 HB2 ARG 4 24.653 -4.372 3.316 27 HB3 ARG 4 HB1 ARG 4 25.962 -4.577 4.472 28 HG2 ARG 4 HG2 ARG 4 24.690 -3.299 6.129 29 HG3 ARG 4 HG1 ARG 4 23.375 -3.112 4.969 30 HD2 ARG 4 HD2 ARG 4 23.102 -5.541 4.890 31 HD3 ARG 4 HD1 ARG 4 24.424 -5.730 6.042 32 HE ARG 4 HE ARG 4 22.459 -4.035 7.135 33 HH11 ARG 4 HH11 ARG 4 21.848 -7.978 7.600 34 HH12 ARG 4 HH12 ARG 4 22.936 -7.430 6.370 35 HH21 ARG 4 HH21 ARG 4 21.036 -4.778 8.737 36 HH22 ARG 4 HH22 ARG 4 20.773 -6.477 8.939 37 H VAL 5 HN VAL 5 25.916 -3.185 1.209 38 HA VAL 5 HA VAL 5 28.813 -3.645 1.223 39 HB VAL 5 HB VAL 5 27.339 -5.534 0.502 40 HG11 VAL 5 HG11 VAL 5 25.578 -4.396 -0.665 41 HG12 VAL 5 HG12 VAL 5 26.380 -5.505 -1.778 42 HG13 VAL 5 HG13 VAL 5 26.714 -3.775 -1.864 43 HG21 VAL 5 HG21 VAL 5 28.666 -6.172 -1.464 44 HG22 VAL 5 HG22 VAL 5 29.660 -5.498 -0.173 45 HG23 VAL 5 HG23 VAL 5 29.264 -4.516 -1.583 46 H GLY 6 HN GLY 6 30.184 -2.487 -0.017 47 HA2 GLY 6 HA2 GLY 6 29.021 -0.298 -1.627 48 HA3 GLY 6 HA1 GLY 6 30.529 -0.170 -0.735 49 H THR 7 HN THR 7 32.100 0.067 -2.177 50 HA THR 7 HA THR 7 32.110 -1.657 -4.562 51 HB THR 7 HB THR 7 33.803 0.020 -5.459 52 HG1 THR 7 HG1 THR 7 34.249 1.735 -4.292 53 HG21 THR 7 HG21 THR 7 31.493 -0.036 -6.252 54 HG22 THR 7 HG22 THR 7 32.080 1.624 -6.153 55 HG23 THR 7 HG23 THR 7 30.997 0.996 -4.911 56 H CYS 8 HN CYS 8 34.287 -0.217 -2.151 57 HA CYS 8 HA CYS 8 36.313 -2.231 -2.725 58 HB2 CYS 8 HB2 CYS 8 36.392 0.251 -0.995 59 HB3 CYS 8 HB1 CYS 8 37.752 -0.820 -1.300 60 HA PRO 9 HA PRO 9 35.321 -4.664 0.892 61 HB2 PRO 9 HB2 PRO 9 37.793 -5.625 1.588 62 HB3 PRO 9 HB1 PRO 9 36.850 -6.246 0.215 63 HG2 PRO 9 HG2 PRO 9 39.115 -4.312 0.227 64 HG3 PRO 9 HG1 PRO 9 38.777 -5.652 -0.893 65 HD2 PRO 9 HD2 PRO 9 38.239 -3.084 -1.525 66 HD3 PRO 9 HD1 PRO 9 37.239 -4.434 -2.101 67 H SER 10 HN SER 10 35.765 -4.913 3.216 68 HA SER 10 HA SER 10 36.173 -2.361 4.475 69 HB2 SER 10 HB2 SER 10 35.659 -3.630 6.579 70 HB3 SER 10 HB1 SER 10 34.420 -3.765 5.332 71 HG SER 10 HG SER 10 36.011 -5.697 6.439 72 H GLY 11 HN GLY 11 37.906 -1.599 5.492 73 HA2 GLY 11 HA2 GLY 11 39.865 -1.723 6.816 74 HA3 GLY 11 HA1 GLY 11 40.050 -3.410 6.341 75 H TYR 12 HN TYR 12 39.584 -0.507 4.351 76 HA TYR 12 HA TYR 12 42.267 -0.859 3.209 77 HB2 TYR 12 HB2 TYR 12 39.659 -1.078 1.826 78 HB3 TYR 12 HB1 TYR 12 40.881 -0.102 1.004 79 HD1 TYR 12 HD1 TYR 12 40.008 -3.476 2.162 80 HD2 TYR 12 HD2 TYR 12 42.877 -1.095 0.126 81 HE1 TYR 12 HE1 TYR 12 41.084 -5.517 1.307 82 HE2 TYR 12 HE2 TYR 12 43.969 -3.118 -0.729 83 HH TYR 12 HH TYR 12 44.150 -5.504 -0.149 84 H VAL 13 HN VAL 13 43.002 1.040 1.929 85 HA VAL 13 HA VAL 13 42.055 3.512 3.208 86 HB VAL 13 HB VAL 13 44.651 3.017 1.712 87 HG11 VAL 13 HG11 VAL 13 43.776 5.433 3.305 88 HG12 VAL 13 HG12 VAL 13 43.972 5.362 1.554 89 HG13 VAL 13 HG13 VAL 13 45.377 5.185 2.607 90 HG21 VAL 13 HG21 VAL 13 45.703 3.196 3.936 91 HG22 VAL 13 HG22 VAL 13 44.612 1.814 3.811 92 HG23 VAL 13 HG23 VAL 13 44.100 3.268 4.666 93 H ARG 14 HN ARG 14 40.505 4.478 2.068 94 HA ARG 14 HA ARG 14 40.549 4.421 -0.865 95 HB2 ARG 14 HB2 ARG 14 38.373 5.391 0.986 96 HB3 ARG 14 HB1 ARG 14 38.232 5.138 -0.752 97 HG2 ARG 14 HG2 ARG 14 38.500 2.736 -0.450 98 HG3 ARG 14 HG1 ARG 14 38.690 2.967 1.294 99 HD2 ARG 14 HD2 ARG 14 36.426 3.948 1.374 100 HD3 ARG 14 HD1 ARG 14 36.245 3.622 -0.349 101 HE ARG 14 HE ARG 14 36.908 1.214 0.850 102 HH11 ARG 14 HH11 ARG 14 34.245 3.498 1.032 103 HH12 ARG 14 HH12 ARG 14 33.083 2.287 1.456 104 HH21 ARG 14 HH21 ARG 14 33.720 0.108 1.668 105 HH22 ARG 14 HH22 ARG 14 35.369 -0.356 1.408 106 H ARG 15 HN ARG 15 41.910 6.035 -1.515 107 HA ARG 15 HA ARG 15 41.054 8.766 -1.001 108 HB2 ARG 15 HB2 ARG 15 43.822 7.769 -0.312 109 HB3 ARG 15 HB1 ARG 15 43.449 9.473 -0.542 110 HG2 ARG 15 HG2 ARG 15 42.056 9.542 1.347 111 HG3 ARG 15 HG1 ARG 15 41.938 7.781 1.435 112 HD2 ARG 15 HD2 ARG 15 43.399 8.454 3.182 113 HD3 ARG 15 HD1 ARG 15 44.421 7.768 1.921 114 HE ARG 15 HE ARG 15 44.229 10.553 1.553 115 HH11 ARG 15 HH11 ARG 15 45.714 8.252 3.752 116 HH12 ARG 15 HH12 ARG 15 47.011 9.319 4.172 117 HH21 ARG 15 HH21 ARG 15 45.938 11.930 2.117 118 HH22 ARG 15 HH22 ARG 15 47.137 11.399 3.248 119 H GLY 16 HN GLY 16 41.181 9.985 -2.792 120 HA2 GLY 16 HA2 GLY 16 41.897 10.755 -4.860 121 HA3 GLY 16 HA1 GLY 16 43.173 9.541 -4.839 122 H THR 17 HN THR 17 39.776 8.816 -4.390 123 HA THR 17 HA THR 17 38.259 7.554 -5.469 124 HB THR 17 HB THR 17 38.049 7.668 -7.928 125 HG1 THR 17 HG1 THR 17 40.007 7.861 -8.807 126 HG21 THR 17 HG21 THR 17 37.060 9.427 -6.563 127 HG22 THR 17 HG22 THR 17 37.652 10.085 -8.088 128 HG23 THR 17 HG23 THR 17 38.574 10.331 -6.604 129 H PHE 18 HN PHE 18 41.011 6.408 -4.843 130 HA PHE 18 HA PHE 18 40.570 3.886 -6.264 131 HB2 PHE 18 HB2 PHE 18 42.968 3.531 -6.624 132 HB3 PHE 18 HB1 PHE 18 42.417 4.975 -7.456 133 HD1 PHE 18 HD1 PHE 18 43.271 7.138 -6.870 134 HD2 PHE 18 HD2 PHE 18 44.422 3.694 -4.655 135 HE1 PHE 18 HE1 PHE 18 45.092 8.421 -5.829 136 HE2 PHE 18 HE2 PHE 18 46.244 4.972 -3.606 137 HZ PHE 18 HZ PHE 18 46.581 7.339 -4.193 138 H CYS 19 HN CYS 19 41.118 2.016 -5.142 139 HA CYS 19 HA CYS 19 41.640 2.400 -2.266 140 HB2 CYS 19 HB2 CYS 19 40.106 0.195 -3.665 141 HB3 CYS 19 HB1 CYS 19 40.447 0.243 -1.934 142 H PHE 20 HN PHE 20 43.520 1.659 -1.532 143 HA PHE 20 HA PHE 20 44.810 -0.554 -2.962 144 HB2 PHE 20 HB2 PHE 20 46.991 0.492 -2.713 145 HB3 PHE 20 HB1 PHE 20 45.900 1.606 -3.532 146 HD1 PHE 20 HD1 PHE 20 48.028 1.056 -0.687 147 HD2 PHE 20 HD2 PHE 20 44.935 3.535 -2.238 148 HE1 PHE 20 HE1 PHE 20 48.566 2.770 0.992 149 HE2 PHE 20 HE2 PHE 20 45.470 5.254 -0.561 150 HZ PHE 20 HZ PHE 20 47.283 4.866 1.059 151 HA PRO 21 HA PRO 21 45.321 -2.323 1.120 152 HB2 PRO 21 HB2 PRO 21 47.758 -3.743 0.514 153 HB3 PRO 21 HB1 PRO 21 46.102 -4.379 0.554 154 HG2 PRO 21 HG2 PRO 21 47.596 -4.173 -1.719 155 HG3 PRO 21 HG1 PRO 21 45.821 -4.163 -1.686 156 HD2 PRO 21 HD2 PRO 21 47.719 -1.855 -1.907 157 HD3 PRO 21 HD1 PRO 21 46.191 -2.151 -2.765 158 H ASP 22 HN ASP 22 46.085 -1.702 2.989 159 HA ASP 22 HA ASP 22 48.822 -1.038 3.506 160 HB2 ASP 22 HB2 ASP 22 47.923 1.058 2.400 161 HB3 ASP 22 HB1 ASP 22 46.815 1.216 3.759 162 H ASP 23 HN ASP 23 45.490 -0.493 4.671 163 HA ASP 23 HA ASP 23 46.263 -1.010 7.421 164 HB2 ASP 23 HB2 ASP 23 44.597 0.780 6.612 165 HB3 ASP 23 HB1 ASP 23 43.458 -0.546 6.414 166 H ASP 24 HN ASP 24 45.361 -2.894 4.788 167 HA ASP 24 HA ASP 24 43.991 -4.918 6.400 168 HB2 ASP 24 HB2 ASP 24 43.635 -6.069 4.181 169 HB3 ASP 24 HB1 ASP 24 42.861 -4.500 4.340 170 H TYR 25 HN TYR 25 46.855 -4.561 4.331 171 HA TYR 25 HA TYR 25 47.995 -6.956 5.615 172 HB2 TYR 25 HB2 TYR 25 47.322 -7.096 3.097 173 HB3 TYR 25 HB1 TYR 25 48.763 -6.121 2.829 174 HD1 TYR 25 HD1 TYR 25 50.981 -7.055 3.190 175 HD2 TYR 25 HD2 TYR 25 47.496 -9.405 3.837 176 HE1 TYR 25 HE1 TYR 25 52.366 -9.086 3.219 177 HE2 TYR 25 HE2 TYR 25 48.869 -11.445 3.867 178 HH TYR 25 HH TYR 25 51.051 -12.208 3.031 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 31.415 -15.756 -6.267 2 H2 PHE 1 HT2 PHE 1 31.290 -14.224 -5.563 3 H3 PHE 1 HT3 PHE 1 32.236 -15.417 -4.827 4 HA PHE 1 HA PHE 1 33.612 -13.797 -5.953 5 HB2 PHE 1 HB2 PHE 1 33.538 -16.570 -7.156 6 HB3 PHE 1 HB1 PHE 1 34.842 -15.426 -7.450 7 HD1 PHE 1 HD1 PHE 1 36.427 -14.867 -5.708 8 HD2 PHE 1 HD2 PHE 1 33.274 -17.637 -5.002 9 HE1 PHE 1 HE1 PHE 1 37.561 -15.631 -3.663 10 HE2 PHE 1 HE2 PHE 1 34.401 -18.405 -2.955 11 HZ PHE 1 HZ PHE 1 36.548 -17.401 -2.283 12 H GLY 2 HN GLY 2 34.243 -12.724 -7.833 13 HA2 GLY 2 HA2 GLY 2 33.516 -13.001 -10.420 14 HA3 GLY 2 HA1 GLY 2 32.098 -12.246 -9.711 15 H VAL 3 HN VAL 3 32.253 -10.314 -10.775 16 HA VAL 3 HA VAL 3 34.411 -8.551 -9.876 17 HB VAL 3 HB VAL 3 34.403 -7.460 -12.189 18 HG11 VAL 3 HG11 VAL 3 35.581 -10.216 -11.867 19 HG12 VAL 3 HG12 VAL 3 36.298 -8.698 -11.324 20 HG13 VAL 3 HG13 VAL 3 36.097 -9.011 -13.048 21 HG21 VAL 3 HG21 VAL 3 32.453 -8.576 -13.149 22 HG22 VAL 3 HG22 VAL 3 33.254 -10.138 -12.995 23 HG23 VAL 3 HG23 VAL 3 33.898 -8.924 -14.099 24 H ARG 4 HN ARG 4 33.552 -6.906 -8.849 25 HA ARG 4 HA ARG 4 31.073 -5.693 -9.869 26 HB2 ARG 4 HB2 ARG 4 31.722 -6.432 -7.020 27 HB3 ARG 4 HB1 ARG 4 30.501 -5.234 -7.418 28 HG2 ARG 4 HG2 ARG 4 29.269 -6.924 -8.698 29 HG3 ARG 4 HG1 ARG 4 30.488 -8.124 -8.271 30 HD2 ARG 4 HD2 ARG 4 28.715 -8.456 -6.757 31 HD3 ARG 4 HD1 ARG 4 29.955 -7.597 -5.849 32 HE ARG 4 HE ARG 4 28.216 -5.698 -6.924 33 HH11 ARG 4 HH11 ARG 4 26.851 -7.508 -3.607 34 HH12 ARG 4 HH12 ARG 4 28.097 -8.272 -4.537 35 HH21 ARG 4 HH21 ARG 4 26.587 -4.717 -5.690 36 HH22 ARG 4 HH22 ARG 4 25.998 -5.497 -4.260 37 H VAL 5 HN VAL 5 30.874 -3.476 -9.620 38 HA VAL 5 HA VAL 5 33.211 -2.045 -8.559 39 HB VAL 5 HB VAL 5 32.860 -0.336 -10.434 40 HG11 VAL 5 HG11 VAL 5 34.309 -1.579 -11.975 41 HG12 VAL 5 HG12 VAL 5 33.954 -3.065 -11.094 42 HG13 VAL 5 HG13 VAL 5 34.817 -1.750 -10.296 43 HG21 VAL 5 HG21 VAL 5 31.483 -2.687 -11.751 44 HG22 VAL 5 HG22 VAL 5 31.969 -1.194 -12.555 45 HG23 VAL 5 HG23 VAL 5 30.725 -1.156 -11.306 46 H GLY 6 HN GLY 6 32.665 -0.673 -7.027 47 HA2 GLY 6 HA2 GLY 6 30.785 1.347 -7.167 48 HA3 GLY 6 HA1 GLY 6 29.955 -0.018 -6.438 49 H THR 7 HN THR 7 31.683 -1.136 -4.770 50 HA THR 7 HA THR 7 32.797 0.984 -3.071 51 HB THR 7 HB THR 7 31.877 -0.277 -1.058 52 HG1 THR 7 HG1 THR 7 29.768 -1.179 -2.632 53 HG21 THR 7 HG21 THR 7 30.990 1.893 -1.755 54 HG22 THR 7 HG22 THR 7 29.701 0.851 -1.155 55 HG23 THR 7 HG23 THR 7 29.903 1.093 -2.891 56 H CYS 8 HN CYS 8 34.440 0.333 -1.651 57 HA CYS 8 HA CYS 8 35.864 -2.068 -2.489 58 HB2 CYS 8 HB2 CYS 8 36.645 0.393 -0.928 59 HB3 CYS 8 HB1 CYS 8 37.703 -1.005 -1.070 60 HA PRO 9 HA PRO 9 34.966 -4.433 1.190 61 HB2 PRO 9 HB2 PRO 9 37.374 -5.669 1.673 62 HB3 PRO 9 HB1 PRO 9 36.243 -6.177 0.400 63 HG2 PRO 9 HG2 PRO 9 38.687 -4.484 0.186 64 HG3 PRO 9 HG1 PRO 9 38.126 -5.795 -0.877 65 HD2 PRO 9 HD2 PRO 9 37.777 -3.222 -1.540 66 HD3 PRO 9 HD1 PRO 9 36.558 -4.452 -1.928 67 H SER 10 HN SER 10 35.568 -4.765 3.467 68 HA SER 10 HA SER 10 36.368 -2.294 4.702 69 HB2 SER 10 HB2 SER 10 34.516 -3.766 5.551 70 HB3 SER 10 HB1 SER 10 35.742 -4.928 6.053 71 HG SER 10 HG SER 10 34.865 -3.018 7.498 72 H GLY 11 HN GLY 11 38.244 -1.767 5.626 73 HA2 GLY 11 HA2 GLY 11 40.220 -2.348 6.904 74 HA3 GLY 11 HA1 GLY 11 40.285 -3.865 6.011 75 H TYR 12 HN TYR 12 39.487 -1.448 3.870 76 HA TYR 12 HA TYR 12 42.289 -1.141 3.023 77 HB2 TYR 12 HB2 TYR 12 39.783 -1.672 1.563 78 HB3 TYR 12 HB1 TYR 12 40.824 -0.455 0.822 79 HD1 TYR 12 HD1 TYR 12 43.055 -1.043 0.031 80 HD2 TYR 12 HD2 TYR 12 40.449 -3.989 1.646 81 HE1 TYR 12 HE1 TYR 12 44.474 -2.806 -0.922 82 HE2 TYR 12 HE2 TYR 12 41.858 -5.768 0.693 83 HH TYR 12 HH TYR 12 43.487 -6.048 -1.129 84 H VAL 13 HN VAL 13 42.890 0.879 1.972 85 HA VAL 13 HA VAL 13 41.533 3.164 3.229 86 HB VAL 13 HB VAL 13 44.292 3.077 1.965 87 HG11 VAL 13 HG11 VAL 13 43.331 5.325 1.925 88 HG12 VAL 13 HG12 VAL 13 44.660 5.232 3.082 89 HG13 VAL 13 HG13 VAL 13 42.991 5.221 3.654 90 HG21 VAL 13 HG21 VAL 13 43.484 2.998 4.871 91 HG22 VAL 13 HG22 VAL 13 45.134 3.194 4.283 92 HG23 VAL 13 HG23 VAL 13 44.252 1.702 3.954 93 H ARG 14 HN ARG 14 40.137 4.248 2.002 94 HA ARG 14 HA ARG 14 40.362 4.151 -0.924 95 HB2 ARG 14 HB2 ARG 14 38.066 5.229 0.709 96 HB3 ARG 14 HB1 ARG 14 38.055 4.803 -1.000 97 HG2 ARG 14 HG2 ARG 14 38.207 2.459 -0.479 98 HG3 ARG 14 HG1 ARG 14 38.402 2.817 1.243 99 HD2 ARG 14 HD2 ARG 14 36.152 3.913 1.176 100 HD3 ARG 14 HD1 ARG 14 35.968 3.305 -0.470 101 HE ARG 14 HE ARG 14 36.492 1.052 0.838 102 HH11 ARG 14 HH11 ARG 14 34.276 3.641 1.684 103 HH12 ARG 14 HH12 ARG 14 33.191 2.590 2.531 104 HH21 ARG 14 HH21 ARG 14 33.635 0.359 2.685 105 HH22 ARG 14 HH22 ARG 14 35.059 -0.303 1.957 106 H ARG 15 HN ARG 15 41.784 5.741 -1.499 107 HA ARG 15 HA ARG 15 40.918 8.489 -1.133 108 HB2 ARG 15 HB2 ARG 15 43.562 7.484 -0.074 109 HB3 ARG 15 HB1 ARG 15 43.286 9.177 -0.458 110 HG2 ARG 15 HG2 ARG 15 41.658 9.403 1.231 111 HG3 ARG 15 HG1 ARG 15 41.518 7.653 1.441 112 HD2 ARG 15 HD2 ARG 15 43.815 7.591 2.306 113 HD3 ARG 15 HD1 ARG 15 43.942 9.338 2.099 114 HE ARG 15 HE ARG 15 41.711 8.784 3.703 115 HH11 ARG 15 HH11 ARG 15 45.213 8.612 3.910 116 HH12 ARG 15 HH12 ARG 15 45.235 8.826 5.628 117 HH21 ARG 15 HH21 ARG 15 41.766 9.063 5.951 118 HH22 ARG 15 HH22 ARG 15 43.285 9.081 6.782 119 H GLY 16 HN GLY 16 41.408 9.761 -2.840 120 HA2 GLY 16 HA2 GLY 16 42.416 10.485 -4.798 121 HA3 GLY 16 HA1 GLY 16 43.563 9.154 -4.665 122 H THR 17 HN THR 17 40.029 9.012 -4.770 123 HA THR 17 HA THR 17 38.531 7.922 -6.058 124 HB THR 17 HB THR 17 38.780 8.030 -8.533 125 HG1 THR 17 HG1 THR 17 40.962 9.693 -8.447 126 HG21 THR 17 HG21 THR 17 39.347 10.604 -7.058 127 HG22 THR 17 HG22 THR 17 37.759 9.880 -7.317 128 HG23 THR 17 HG23 THR 17 38.690 10.477 -8.691 129 H PHE 18 HN PHE 18 40.967 6.361 -5.059 130 HA PHE 18 HA PHE 18 40.182 3.853 -6.219 131 HB2 PHE 18 HB2 PHE 18 42.609 3.170 -6.720 132 HB3 PHE 18 HB1 PHE 18 41.792 4.177 -7.900 133 HD1 PHE 18 HD1 PHE 18 43.032 5.853 -8.839 134 HD2 PHE 18 HD2 PHE 18 43.964 4.627 -4.866 135 HE1 PHE 18 HE1 PHE 18 44.925 7.420 -8.800 136 HE2 PHE 18 HE2 PHE 18 45.854 6.201 -4.824 137 HZ PHE 18 HZ PHE 18 46.337 7.599 -6.792 138 H CYS 19 HN CYS 19 40.839 2.038 -5.021 139 HA CYS 19 HA CYS 19 41.644 2.683 -2.275 140 HB2 CYS 19 HB2 CYS 19 40.409 0.138 -3.358 141 HB3 CYS 19 HB1 CYS 19 40.664 0.539 -1.657 142 H PHE 20 HN PHE 20 43.517 1.987 -1.420 143 HA PHE 20 HA PHE 20 45.089 0.040 -2.954 144 HB2 PHE 20 HB2 PHE 20 47.129 1.283 -2.493 145 HB3 PHE 20 HB1 PHE 20 45.956 2.351 -3.265 146 HD1 PHE 20 HD1 PHE 20 48.008 1.756 -0.372 147 HD2 PHE 20 HD2 PHE 20 44.727 4.031 -1.850 148 HE1 PHE 20 HE1 PHE 20 48.278 3.344 1.484 149 HE2 PHE 20 HE2 PHE 20 44.993 5.625 0.006 150 HZ PHE 20 HZ PHE 20 46.769 5.274 1.678 151 HA PRO 21 HA PRO 21 45.641 -2.051 0.973 152 HB2 PRO 21 HB2 PRO 21 48.293 -3.041 0.386 153 HB3 PRO 21 HB1 PRO 21 46.749 -3.916 0.299 154 HG2 PRO 21 HG2 PRO 21 48.258 -3.317 -1.882 155 HG3 PRO 21 HG1 PRO 21 46.496 -3.520 -1.927 156 HD2 PRO 21 HD2 PRO 21 48.101 -0.989 -1.846 157 HD3 PRO 21 HD1 PRO 21 46.665 -1.389 -2.816 158 H ASP 22 HN ASP 22 46.225 -1.539 2.943 159 HA ASP 22 HA ASP 22 48.806 -0.574 3.703 160 HB2 ASP 22 HB2 ASP 22 47.670 1.488 2.718 161 HB3 ASP 22 HB1 ASP 22 46.530 1.390 4.057 162 H ASP 23 HN ASP 23 45.368 -0.576 4.661 163 HA ASP 23 HA ASP 23 46.048 -1.283 7.398 164 HB2 ASP 23 HB2 ASP 23 44.249 0.421 6.672 165 HB3 ASP 23 HB1 ASP 23 43.262 -0.984 6.286 166 H ASP 24 HN ASP 24 45.250 -2.859 4.483 167 HA ASP 24 HA ASP 24 44.670 -5.350 5.944 168 HB2 ASP 24 HB2 ASP 24 42.735 -4.239 4.579 169 HB3 ASP 24 HB1 ASP 24 43.596 -4.867 3.178 170 H TYR 25 HN TYR 25 46.601 -6.342 5.871 171 HA TYR 25 HA TYR 25 47.895 -6.680 3.245 172 HB2 TYR 25 HB2 TYR 25 49.099 -5.366 5.156 173 HB3 TYR 25 HB1 TYR 25 49.383 -6.962 5.842 174 HD1 TYR 25 HD1 TYR 25 50.911 -8.523 4.771 175 HD2 TYR 25 HD2 TYR 25 50.204 -4.674 3.101 176 HE1 TYR 25 HE1 TYR 25 52.886 -8.791 3.331 177 HE2 TYR 25 HE2 TYR 25 52.176 -4.932 1.655 178 HH TYR 25 HH TYR 25 54.271 -6.216 1.610 Start of MODEL 16 1 H1 PHE 1 HT1 PHE 1 23.608 2.465 -12.473 2 H2 PHE 1 HT2 PHE 1 22.343 1.385 -12.780 3 H3 PHE 1 HT3 PHE 1 22.662 2.644 -13.865 4 HA PHE 1 HA PHE 1 23.463 0.541 -14.719 5 HB2 PHE 1 HB2 PHE 1 24.669 2.850 -14.984 6 HB3 PHE 1 HB1 PHE 1 25.899 2.127 -13.953 7 HD1 PHE 1 HD1 PHE 1 24.310 2.066 -17.241 8 HD2 PHE 1 HD2 PHE 1 27.281 0.307 -14.753 9 HE1 PHE 1 HE1 PHE 1 25.318 0.990 -19.212 10 HE2 PHE 1 HE2 PHE 1 28.295 -0.771 -16.719 11 HZ PHE 1 HZ PHE 1 27.312 -0.431 -18.952 12 H GLY 2 HN GLY 2 24.959 1.449 -11.626 13 HA2 GLY 2 HA2 GLY 2 24.975 -0.701 -10.156 14 HA3 GLY 2 HA1 GLY 2 26.115 -1.240 -11.380 15 H VAL 3 HN VAL 3 27.756 0.759 -11.846 16 HA VAL 3 HA VAL 3 28.722 1.757 -9.261 17 HB VAL 3 HB VAL 3 31.103 1.292 -10.076 18 HG11 VAL 3 HG11 VAL 3 29.325 -1.019 -9.313 19 HG12 VAL 3 HG12 VAL 3 30.098 0.121 -8.211 20 HG13 VAL 3 HG13 VAL 3 31.082 -0.987 -9.168 21 HG21 VAL 3 HG21 VAL 3 31.402 -0.645 -11.561 22 HG22 VAL 3 HG22 VAL 3 30.618 0.696 -12.397 23 HG23 VAL 3 HG23 VAL 3 29.663 -0.685 -11.858 24 H ARG 4 HN ARG 4 29.349 3.810 -9.261 25 HA ARG 4 HA ARG 4 29.405 5.242 -11.818 26 HB2 ARG 4 HB2 ARG 4 27.954 5.842 -9.678 27 HB3 ARG 4 HB1 ARG 4 29.430 6.667 -9.197 28 HG2 ARG 4 HG2 ARG 4 29.370 7.989 -11.248 29 HG3 ARG 4 HG1 ARG 4 27.898 7.151 -11.747 30 HD2 ARG 4 HD2 ARG 4 26.741 8.011 -9.768 31 HD3 ARG 4 HD1 ARG 4 28.213 8.847 -9.272 32 HE ARG 4 HE ARG 4 27.566 9.667 -11.867 33 HH11 ARG 4 HH11 ARG 4 25.518 11.518 -8.949 34 HH12 ARG 4 HH12 ARG 4 26.274 9.996 -8.618 35 HH21 ARG 4 HH21 ARG 4 26.567 11.662 -12.277 36 HH22 ARG 4 HH22 ARG 4 25.683 12.459 -11.019 37 H VAL 5 HN VAL 5 31.296 4.716 -8.886 38 HA VAL 5 HA VAL 5 33.650 5.794 -10.277 39 HB VAL 5 HB VAL 5 34.531 6.508 -7.986 40 HG11 VAL 5 HG11 VAL 5 33.411 8.685 -8.114 41 HG12 VAL 5 HG12 VAL 5 32.208 7.992 -9.200 42 HG13 VAL 5 HG13 VAL 5 33.895 8.090 -9.703 43 HG21 VAL 5 HG21 VAL 5 32.854 7.150 -6.307 44 HG22 VAL 5 HG22 VAL 5 32.883 5.404 -6.558 45 HG23 VAL 5 HG23 VAL 5 31.595 6.376 -7.271 46 H GLY 6 HN GLY 6 32.433 3.568 -7.832 47 HA2 GLY 6 HA2 GLY 6 33.546 1.273 -8.279 48 HA3 GLY 6 HA1 GLY 6 35.006 2.139 -7.827 49 H THR 7 HN THR 7 33.867 -0.172 -6.545 50 HA THR 7 HA THR 7 33.543 0.928 -3.841 51 HB THR 7 HB THR 7 31.928 -0.985 -3.364 52 HG1 THR 7 HG1 THR 7 32.296 -2.127 -5.337 53 HG21 THR 7 HG21 THR 7 31.022 1.200 -5.245 54 HG22 THR 7 HG22 THR 7 31.185 1.340 -3.495 55 HG23 THR 7 HG23 THR 7 29.975 0.257 -4.184 56 H CYS 8 HN CYS 8 34.737 -0.054 -2.332 57 HA CYS 8 HA CYS 8 35.968 -2.652 -2.970 58 HB2 CYS 8 HB2 CYS 8 38.034 -1.857 -1.825 59 HB3 CYS 8 HB1 CYS 8 37.661 -0.951 -3.293 60 HA PRO 9 HA PRO 9 34.470 -4.078 0.979 61 HB2 PRO 9 HB2 PRO 9 36.519 -5.732 1.781 62 HB3 PRO 9 HB1 PRO 9 35.305 -6.177 0.561 63 HG2 PRO 9 HG2 PRO 9 38.078 -5.151 0.175 64 HG3 PRO 9 HG1 PRO 9 37.233 -6.468 -0.673 65 HD2 PRO 9 HD2 PRO 9 37.491 -4.054 -1.788 66 HD3 PRO 9 HD1 PRO 9 36.008 -5.007 -1.995 67 H SER 10 HN SER 10 34.941 -4.168 3.303 68 HA SER 10 HA SER 10 36.199 -1.768 4.215 69 HB2 SER 10 HB2 SER 10 35.007 -4.069 5.776 70 HB3 SER 10 HB1 SER 10 35.477 -2.513 6.459 71 HG SER 10 HG SER 10 33.494 -2.964 4.477 72 H GLY 11 HN GLY 11 37.918 -1.540 5.680 73 HA2 GLY 11 HA2 GLY 11 39.786 -2.292 6.930 74 HA3 GLY 11 HA1 GLY 11 39.669 -3.853 6.120 75 H TYR 12 HN TYR 12 39.478 -0.949 4.246 76 HA TYR 12 HA TYR 12 42.274 -1.226 3.368 77 HB2 TYR 12 HB2 TYR 12 39.810 -1.585 1.817 78 HB3 TYR 12 HB1 TYR 12 40.930 -0.428 1.093 79 HD1 TYR 12 HD1 TYR 12 40.394 -3.935 1.999 80 HD2 TYR 12 HD2 TYR 12 43.096 -1.134 0.291 81 HE1 TYR 12 HE1 TYR 12 41.727 -5.790 1.084 82 HE2 TYR 12 HE2 TYR 12 44.440 -2.973 -0.625 83 HH TYR 12 HH TYR 12 43.332 -6.180 -0.740 84 H VAL 13 HN VAL 13 42.954 0.741 1.999 85 HA VAL 13 HA VAL 13 41.882 3.140 3.320 86 HB VAL 13 HB VAL 13 44.000 4.293 2.512 87 HG11 VAL 13 HG11 VAL 13 43.664 3.706 4.822 88 HG12 VAL 13 HG12 VAL 13 45.343 3.401 4.374 89 HG13 VAL 13 HG13 VAL 13 44.211 2.058 4.518 90 HG21 VAL 13 HG21 VAL 13 45.915 3.047 1.908 91 HG22 VAL 13 HG22 VAL 13 44.617 2.462 0.867 92 HG23 VAL 13 HG23 VAL 13 45.128 1.509 2.261 93 H ARG 14 HN ARG 14 40.416 4.189 2.171 94 HA ARG 14 HA ARG 14 40.529 4.139 -0.760 95 HB2 ARG 14 HB2 ARG 14 38.315 5.150 1.021 96 HB3 ARG 14 HB1 ARG 14 38.221 4.854 -0.714 97 HG2 ARG 14 HG2 ARG 14 38.487 2.452 -0.331 98 HG3 ARG 14 HG1 ARG 14 38.584 2.741 1.411 99 HD2 ARG 14 HD2 ARG 14 36.359 2.080 0.996 100 HD3 ARG 14 HD1 ARG 14 36.301 3.828 1.213 101 HE ARG 14 HE ARG 14 36.586 3.231 -1.525 102 HH11 ARG 14 HH11 ARG 14 34.163 3.048 1.011 103 HH12 ARG 14 HH12 ARG 14 32.834 3.186 -0.090 104 HH21 ARG 14 HH21 ARG 14 33.213 3.390 -2.330 105 HH22 ARG 14 HH22 ARG 14 34.830 3.410 -2.949 106 H ARG 15 HN ARG 15 41.919 5.730 -1.376 107 HA ARG 15 HA ARG 15 41.083 8.473 -0.909 108 HB2 ARG 15 HB2 ARG 15 43.808 7.446 -0.100 109 HB3 ARG 15 HB1 ARG 15 43.477 9.152 -0.378 110 HG2 ARG 15 HG2 ARG 15 42.010 9.281 1.452 111 HG3 ARG 15 HG1 ARG 15 41.871 7.520 1.574 112 HD2 ARG 15 HD2 ARG 15 44.223 7.397 2.260 113 HD3 ARG 15 HD1 ARG 15 44.359 9.151 2.128 114 HE ARG 15 HE ARG 15 42.250 8.460 3.879 115 HH11 ARG 15 HH11 ARG 15 45.759 8.555 3.774 116 HH12 ARG 15 HH12 ARG 15 45.920 8.752 5.487 117 HH21 ARG 15 HH21 ARG 15 42.485 8.719 6.120 118 HH22 ARG 15 HH22 ARG 15 44.067 8.845 6.812 119 H GLY 16 HN GLY 16 41.401 9.747 -2.647 120 HA2 GLY 16 HA2 GLY 16 42.231 10.490 -4.684 121 HA3 GLY 16 HA1 GLY 16 43.403 9.177 -4.651 122 H THR 17 HN THR 17 39.926 8.792 -4.343 123 HA THR 17 HA THR 17 38.334 7.691 -5.491 124 HB THR 17 HB THR 17 38.248 7.848 -7.960 125 HG1 THR 17 HG1 THR 17 40.804 9.062 -7.650 126 HG21 THR 17 HG21 THR 17 38.091 10.292 -8.093 127 HG22 THR 17 HG22 THR 17 38.969 10.430 -6.570 128 HG23 THR 17 HG23 THR 17 37.376 9.677 -6.603 129 H PHE 18 HN PHE 18 40.936 6.243 -4.794 130 HA PHE 18 HA PHE 18 40.171 3.747 -6.059 131 HB2 PHE 18 HB2 PHE 18 42.587 3.150 -6.568 132 HB3 PHE 18 HB1 PHE 18 41.837 4.307 -7.650 133 HD1 PHE 18 HD1 PHE 18 43.960 4.255 -4.557 134 HD2 PHE 18 HD2 PHE 18 43.056 6.152 -8.262 135 HE1 PHE 18 HE1 PHE 18 45.871 5.771 -4.245 136 HE2 PHE 18 HE2 PHE 18 44.962 7.673 -7.948 137 HZ PHE 18 HZ PHE 18 46.372 7.485 -5.940 138 H CYS 19 HN CYS 19 40.672 1.914 -4.893 139 HA CYS 19 HA CYS 19 41.544 2.402 -2.131 140 HB2 CYS 19 HB2 CYS 19 40.145 -0.041 -3.246 141 HB3 CYS 19 HB1 CYS 19 40.395 0.356 -1.545 142 H PHE 20 HN PHE 20 43.489 1.729 -1.484 143 HA PHE 20 HA PHE 20 44.782 -0.454 -2.960 144 HB2 PHE 20 HB2 PHE 20 46.917 0.694 -2.915 145 HB3 PHE 20 HB1 PHE 20 45.716 1.755 -3.647 146 HD1 PHE 20 HD1 PHE 20 48.107 1.323 -0.998 147 HD2 PHE 20 HD2 PHE 20 44.796 3.666 -2.288 148 HE1 PHE 20 HE1 PHE 20 48.735 3.082 0.601 149 HE2 PHE 20 HE2 PHE 20 45.419 5.431 -0.689 150 HZ PHE 20 HZ PHE 20 47.389 5.133 0.762 151 HA PRO 21 HA PRO 21 45.735 -2.100 1.100 152 HB2 PRO 21 HB2 PRO 21 48.293 -3.230 0.380 153 HB3 PRO 21 HB1 PRO 21 46.730 -4.059 0.526 154 HG2 PRO 21 HG2 PRO 21 48.051 -3.734 -1.832 155 HG3 PRO 21 HG1 PRO 21 46.291 -3.910 -1.698 156 HD2 PRO 21 HD2 PRO 21 47.917 -1.417 -2.049 157 HD3 PRO 21 HD1 PRO 21 46.386 -1.887 -2.823 158 H ASP 22 HN ASP 22 46.503 -1.350 2.918 159 HA ASP 22 HA ASP 22 49.173 -0.412 3.324 160 HB2 ASP 22 HB2 ASP 22 48.020 1.567 2.198 161 HB3 ASP 22 HB1 ASP 22 46.995 1.673 3.626 162 H ASP 23 HN ASP 23 45.838 -0.137 4.560 163 HA ASP 23 HA ASP 23 46.715 -0.538 7.298 164 HB2 ASP 23 HB2 ASP 23 44.892 1.099 6.484 165 HB3 ASP 23 HB1 ASP 23 43.858 -0.321 6.353 166 H ASP 24 HN ASP 24 46.296 -2.595 4.814 167 HA ASP 24 HA ASP 24 44.752 -4.654 6.169 168 HB2 ASP 24 HB2 ASP 24 46.102 -4.548 3.468 169 HB3 ASP 24 HB1 ASP 24 45.300 -5.990 4.083 170 H TYR 25 HN TYR 25 48.107 -4.073 5.185 171 HA TYR 25 HA TYR 25 48.960 -6.522 6.552 172 HB2 TYR 25 HB2 TYR 25 49.707 -5.830 4.153 173 HB3 TYR 25 HB1 TYR 25 50.788 -4.719 4.984 174 HD1 TYR 25 HD1 TYR 25 52.676 -5.551 6.276 175 HD2 TYR 25 HD2 TYR 25 50.065 -8.232 4.254 176 HE1 TYR 25 HE1 TYR 25 54.321 -7.357 6.561 177 HE2 TYR 25 HE2 TYR 25 51.702 -10.046 4.534 178 HH TYR 25 HH TYR 25 54.368 -9.811 6.620 Start of MODEL 17 1 H1 PHE 1 HT1 PHE 1 42.962 -8.308 -15.814 2 H2 PHE 1 HT2 PHE 1 41.776 -8.216 -14.613 3 H3 PHE 1 HT3 PHE 1 41.976 -9.645 -15.493 4 HA PHE 1 HA PHE 1 42.915 -9.848 -13.287 5 HB2 PHE 1 HB2 PHE 1 43.937 -10.858 -15.477 6 HB3 PHE 1 HB1 PHE 1 45.242 -9.715 -15.184 7 HD1 PHE 1 HD1 PHE 1 43.574 -12.747 -14.006 8 HD2 PHE 1 HD2 PHE 1 46.742 -9.991 -13.309 9 HE1 PHE 1 HE1 PHE 1 44.610 -14.338 -12.443 10 HE2 PHE 1 HE2 PHE 1 47.784 -11.580 -11.744 11 HZ PHE 1 HZ PHE 1 46.717 -13.757 -11.310 12 H GLY 2 HN GLY 2 44.400 -7.250 -15.202 13 HA2 GLY 2 HA2 GLY 2 45.646 -6.194 -12.744 14 HA3 GLY 2 HA1 GLY 2 46.181 -5.836 -14.380 15 H VAL 3 HN VAL 3 45.327 -4.122 -12.067 16 HA VAL 3 HA VAL 3 44.285 -2.141 -11.687 17 HB VAL 3 HB VAL 3 43.540 -1.983 -14.619 18 HG11 VAL 3 HG11 VAL 3 44.176 0.155 -12.584 19 HG12 VAL 3 HG12 VAL 3 42.575 -0.256 -13.195 20 HG13 VAL 3 HG13 VAL 3 43.781 0.434 -14.280 21 HG21 VAL 3 HG21 VAL 3 45.909 -2.548 -14.515 22 HG22 VAL 3 HG22 VAL 3 46.187 -1.232 -13.374 23 HG23 VAL 3 HG23 VAL 3 45.692 -0.873 -15.029 24 H ARG 4 HN ARG 4 42.502 -2.122 -10.531 25 HA ARG 4 HA ARG 4 39.971 -2.997 -11.756 26 HB2 ARG 4 HB2 ARG 4 41.042 -3.654 -9.015 27 HB3 ARG 4 HB1 ARG 4 39.332 -3.770 -9.404 28 HG2 ARG 4 HG2 ARG 4 39.840 -5.404 -11.151 29 HG3 ARG 4 HG1 ARG 4 41.555 -5.287 -10.758 30 HD2 ARG 4 HD2 ARG 4 41.089 -6.090 -8.494 31 HD3 ARG 4 HD1 ARG 4 39.374 -6.205 -8.887 32 HE ARG 4 HE ARG 4 40.792 -7.719 -10.756 33 HH11 ARG 4 HH11 ARG 4 40.198 -9.550 -7.231 34 HH12 ARG 4 HH12 ARG 4 40.086 -7.824 -7.317 35 HH21 ARG 4 HH21 ARG 4 40.932 -9.977 -10.618 36 HH22 ARG 4 HH22 ARG 4 40.677 -10.767 -9.098 37 H VAL 5 HN VAL 5 38.147 -1.843 -11.228 38 HA VAL 5 HA VAL 5 38.402 0.406 -9.373 39 HB VAL 5 HB VAL 5 37.145 1.869 -11.056 40 HG11 VAL 5 HG11 VAL 5 39.225 2.609 -12.125 41 HG12 VAL 5 HG12 VAL 5 40.014 1.123 -11.596 42 HG13 VAL 5 HG13 VAL 5 39.438 2.288 -10.404 43 HG21 VAL 5 HG21 VAL 5 36.553 0.159 -12.701 44 HG22 VAL 5 HG22 VAL 5 38.261 -0.147 -13.016 45 HG23 VAL 5 HG23 VAL 5 37.553 1.413 -13.436 46 H GLY 6 HN GLY 6 36.780 0.402 -7.999 47 HA2 GLY 6 HA2 GLY 6 34.075 0.390 -8.575 48 HA3 GLY 6 HA1 GLY 6 34.507 -1.291 -8.301 49 H THR 7 HN THR 7 34.105 -1.953 -6.319 50 HA THR 7 HA THR 7 34.494 -0.081 -4.073 51 HB THR 7 HB THR 7 32.653 -1.391 -2.899 52 HG1 THR 7 HG1 THR 7 32.004 -3.064 -4.027 53 HG21 THR 7 HG21 THR 7 30.851 -0.089 -3.939 54 HG22 THR 7 HG22 THR 7 31.898 0.259 -5.314 55 HG23 THR 7 HG23 THR 7 32.304 0.885 -3.716 56 H CYS 8 HN CYS 8 35.848 -0.748 -2.557 57 HA CYS 8 HA CYS 8 36.741 -3.544 -2.584 58 HB2 CYS 8 HB2 CYS 8 38.694 -2.668 -1.274 59 HB3 CYS 8 HB1 CYS 8 38.541 -1.980 -2.892 60 HA PRO 9 HA PRO 9 34.799 -4.481 1.320 61 HB2 PRO 9 HB2 PRO 9 36.670 -6.129 2.481 62 HB3 PRO 9 HB1 PRO 9 35.561 -6.647 1.192 63 HG2 PRO 9 HG2 PRO 9 38.409 -5.789 0.997 64 HG3 PRO 9 HG1 PRO 9 37.580 -7.144 0.194 65 HD2 PRO 9 HD2 PRO 9 38.084 -4.858 -1.106 66 HD3 PRO 9 HD1 PRO 9 36.588 -5.771 -1.387 67 H SER 10 HN SER 10 35.054 -4.344 3.680 68 HA SER 10 HA SER 10 36.131 -1.890 4.514 69 HB2 SER 10 HB2 SER 10 35.584 -2.700 6.825 70 HB3 SER 10 HB1 SER 10 34.250 -2.828 5.680 71 HG SER 10 HG SER 10 36.005 -4.984 6.200 72 H GLY 11 HN GLY 11 37.931 -1.290 5.609 73 HA2 GLY 11 HA2 GLY 11 39.899 -1.658 6.899 74 HA3 GLY 11 HA1 GLY 11 39.912 -3.333 6.349 75 H TYR 12 HN TYR 12 39.526 -0.447 4.352 76 HA TYR 12 HA TYR 12 42.189 -0.872 3.182 77 HB2 TYR 12 HB2 TYR 12 39.546 -1.032 1.854 78 HB3 TYR 12 HB1 TYR 12 40.779 -0.105 0.994 79 HD1 TYR 12 HD1 TYR 12 42.808 -1.190 0.193 80 HD2 TYR 12 HD2 TYR 12 39.736 -3.424 2.100 81 HE1 TYR 12 HE1 TYR 12 43.803 -3.262 -0.659 82 HE2 TYR 12 HE2 TYR 12 40.719 -5.513 1.248 83 HH TYR 12 HH TYR 12 42.180 -6.248 -0.584 84 H VAL 13 HN VAL 13 42.955 1.003 1.887 85 HA VAL 13 HA VAL 13 42.070 3.507 3.150 86 HB VAL 13 HB VAL 13 44.646 2.955 1.638 87 HG11 VAL 13 HG11 VAL 13 45.421 5.104 2.540 88 HG12 VAL 13 HG12 VAL 13 43.831 5.378 3.252 89 HG13 VAL 13 HG13 VAL 13 44.013 5.313 1.499 90 HG21 VAL 13 HG21 VAL 13 44.613 1.741 3.729 91 HG22 VAL 13 HG22 VAL 13 44.118 3.192 4.599 92 HG23 VAL 13 HG23 VAL 13 45.718 3.112 3.862 93 H ARG 14 HN ARG 14 40.501 4.441 2.005 94 HA ARG 14 HA ARG 14 40.614 4.449 -0.933 95 HB2 ARG 14 HB2 ARG 14 38.352 5.204 0.920 96 HB3 ARG 14 HB1 ARG 14 38.254 5.114 -0.838 97 HG2 ARG 14 HG2 ARG 14 38.651 2.701 -0.748 98 HG3 ARG 14 HG1 ARG 14 38.749 2.783 1.016 99 HD2 ARG 14 HD2 ARG 14 36.557 2.058 0.527 100 HD3 ARG 14 HD1 ARG 14 36.412 3.759 0.962 101 HE ARG 14 HE ARG 14 36.701 3.492 -1.838 102 HH11 ARG 14 HH11 ARG 14 34.314 2.993 0.690 103 HH12 ARG 14 HH12 ARG 14 32.968 3.225 -0.375 104 HH21 ARG 14 HH21 ARG 14 33.316 3.677 -2.584 105 HH22 ARG 14 HH22 ARG 14 34.925 3.792 -3.214 106 H ARG 15 HN ARG 15 41.925 6.137 -1.481 107 HA ARG 15 HA ARG 15 40.940 8.813 -0.913 108 HB2 ARG 15 HB2 ARG 15 43.735 7.926 -0.167 109 HB3 ARG 15 HB1 ARG 15 43.265 9.613 -0.320 110 HG2 ARG 15 HG2 ARG 15 41.599 7.914 1.456 111 HG3 ARG 15 HG1 ARG 15 43.234 8.309 2.013 112 HD2 ARG 15 HD2 ARG 15 42.751 10.700 1.692 113 HD3 ARG 15 HD1 ARG 15 41.120 10.292 1.163 114 HE ARG 15 HE ARG 15 41.396 9.137 3.641 115 HH11 ARG 15 HH11 ARG 15 41.591 12.417 2.399 116 HH12 ARG 15 HH12 ARG 15 41.061 13.133 3.884 117 HH21 ARG 15 HH21 ARG 15 40.705 10.096 5.575 118 HH22 ARG 15 HH22 ARG 15 40.561 11.819 5.680 119 H GLY 16 HN GLY 16 41.105 10.104 -2.652 120 HA2 GLY 16 HA2 GLY 16 41.876 10.971 -4.661 121 HA3 GLY 16 HA1 GLY 16 43.190 9.796 -4.630 122 H THR 17 HN THR 17 39.807 8.942 -4.345 123 HA THR 17 HA THR 17 38.375 7.676 -5.528 124 HB THR 17 HB THR 17 38.252 7.880 -7.987 125 HG1 THR 17 HG1 THR 17 39.848 9.704 -8.693 126 HG21 THR 17 HG21 THR 17 37.167 9.557 -6.586 127 HG22 THR 17 HG22 THR 17 37.777 10.281 -8.073 128 HG23 THR 17 HG23 THR 17 38.650 10.510 -6.558 129 H PHE 18 HN PHE 18 41.139 6.594 -4.838 130 HA PHE 18 HA PHE 18 40.836 4.118 -6.371 131 HB2 PHE 18 HB2 PHE 18 43.258 3.850 -6.640 132 HB3 PHE 18 HB1 PHE 18 42.692 5.302 -7.447 133 HD1 PHE 18 HD1 PHE 18 43.433 7.475 -6.747 134 HD2 PHE 18 HD2 PHE 18 44.639 3.992 -4.622 135 HE1 PHE 18 HE1 PHE 18 45.164 8.784 -5.592 136 HE2 PHE 18 HE2 PHE 18 46.370 5.296 -3.460 137 HZ PHE 18 HZ PHE 18 46.635 7.695 -3.943 138 H CYS 19 HN CYS 19 40.999 2.289 -5.216 139 HA CYS 19 HA CYS 19 41.611 2.549 -2.350 140 HB2 CYS 19 HB2 CYS 19 39.310 1.803 -2.953 141 HB3 CYS 19 HB1 CYS 19 40.009 0.394 -3.752 142 H PHE 20 HN PHE 20 43.435 1.666 -1.623 143 HA PHE 20 HA PHE 20 44.579 -0.608 -3.081 144 HB2 PHE 20 HB2 PHE 20 46.823 0.315 -2.888 145 HB3 PHE 20 HB1 PHE 20 45.777 1.485 -3.691 146 HD1 PHE 20 HD1 PHE 20 44.931 3.462 -2.365 147 HD2 PHE 20 HD2 PHE 20 47.958 0.845 -0.913 148 HE1 PHE 20 HE1 PHE 20 45.602 5.159 -0.712 149 HE2 PHE 20 HE2 PHE 20 48.634 2.539 0.738 150 HZ PHE 20 HZ PHE 20 47.452 4.691 0.845 151 HA PRO 21 HA PRO 21 45.147 -2.375 1.005 152 HB2 PRO 21 HB2 PRO 21 47.532 -3.859 0.360 153 HB3 PRO 21 HB1 PRO 21 45.861 -4.453 0.433 154 HG2 PRO 21 HG2 PRO 21 47.323 -4.293 -1.865 155 HG3 PRO 21 HG1 PRO 21 45.551 -4.247 -1.804 156 HD2 PRO 21 HD2 PRO 21 47.490 -1.982 -2.077 157 HD3 PRO 21 HD1 PRO 21 45.936 -2.248 -2.899 158 H ASP 22 HN ASP 22 45.978 -1.775 2.857 159 HA ASP 22 HA ASP 22 48.743 -1.180 3.298 160 HB2 ASP 22 HB2 ASP 22 47.853 0.934 2.195 161 HB3 ASP 22 HB1 ASP 22 46.820 1.140 3.607 162 H ASP 23 HN ASP 23 45.456 -0.535 4.540 163 HA ASP 23 HA ASP 23 46.280 -1.015 7.276 164 HB2 ASP 23 HB2 ASP 23 44.588 0.756 6.433 165 HB3 ASP 23 HB1 ASP 23 43.446 -0.581 6.352 166 H ASP 24 HN ASP 24 45.348 -2.966 4.711 167 HA ASP 24 HA ASP 24 43.970 -4.935 6.382 168 HB2 ASP 24 HB2 ASP 24 43.662 -6.172 4.189 169 HB3 ASP 24 HB1 ASP 24 42.851 -4.617 4.309 170 H TYR 25 HN TYR 25 46.822 -4.716 4.263 171 HA TYR 25 HA TYR 25 48.066 -6.876 5.814 172 HB2 TYR 25 HB2 TYR 25 47.910 -6.679 2.806 173 HB3 TYR 25 HB1 TYR 25 49.123 -7.658 3.623 174 HD1 TYR 25 HD1 TYR 25 48.492 -9.690 4.810 175 HD2 TYR 25 HD2 TYR 25 45.575 -7.338 2.794 176 HE1 TYR 25 HE1 TYR 25 46.895 -11.554 4.958 177 HE2 TYR 25 HE2 TYR 25 43.970 -9.196 2.935 178 HH TYR 25 HH TYR 25 44.007 -11.647 3.187 Start of MODEL 18 1 H1 PHE 1 HT1 PHE 1 21.744 5.351 -14.612 2 H2 PHE 1 HT2 PHE 1 22.475 4.204 -13.607 3 H3 PHE 1 HT3 PHE 1 23.017 4.404 -15.197 4 HA PHE 1 HA PHE 1 24.537 5.420 -13.633 5 HB2 PHE 1 HB2 PHE 1 22.974 7.310 -15.403 6 HB3 PHE 1 HB1 PHE 1 24.491 7.746 -14.622 7 HD1 PHE 1 HD1 PHE 1 26.590 6.800 -15.365 8 HD2 PHE 1 HD2 PHE 1 22.922 5.755 -17.252 9 HE1 PHE 1 HE1 PHE 1 27.840 5.847 -17.258 10 HE2 PHE 1 HE2 PHE 1 24.165 4.799 -19.148 11 HZ PHE 1 HZ PHE 1 26.627 4.844 -19.152 12 H GLY 2 HN GLY 2 24.964 6.889 -11.986 13 HA2 GLY 2 HA2 GLY 2 23.278 8.766 -10.858 14 HA3 GLY 2 HA1 GLY 2 22.867 7.243 -10.084 15 H VAL 3 HN VAL 3 23.621 7.642 -8.064 16 HA VAL 3 HA VAL 3 26.532 7.937 -7.796 17 HB VAL 3 HB VAL 3 26.080 9.243 -5.639 18 HG11 VAL 3 HG11 VAL 3 25.969 11.382 -6.837 19 HG12 VAL 3 HG12 VAL 3 25.492 10.524 -8.303 20 HG13 VAL 3 HG13 VAL 3 27.085 10.247 -7.598 21 HG21 VAL 3 HG21 VAL 3 24.030 10.603 -5.590 22 HG22 VAL 3 HG22 VAL 3 23.673 8.882 -5.450 23 HG23 VAL 3 HG23 VAL 3 23.411 9.714 -6.982 24 H ARG 4 HN ARG 4 27.408 6.315 -6.745 25 HA ARG 4 HA ARG 4 25.862 4.940 -4.648 26 HB2 ARG 4 HB2 ARG 4 27.480 3.710 -6.876 27 HB3 ARG 4 HB1 ARG 4 27.081 2.825 -5.410 28 HG2 ARG 4 HG2 ARG 4 24.698 3.120 -5.878 29 HG3 ARG 4 HG1 ARG 4 25.100 4.009 -7.349 30 HD2 ARG 4 HD2 ARG 4 24.617 1.812 -8.049 31 HD3 ARG 4 HD1 ARG 4 26.374 1.943 -8.080 32 HE ARG 4 HE ARG 4 25.593 0.928 -5.585 33 HH11 ARG 4 HH11 ARG 4 25.808 -1.779 -8.544 34 HH12 ARG 4 HH12 ARG 4 25.666 -0.100 -8.943 35 HH21 ARG 4 HH21 ARG 4 25.780 -1.274 -5.088 36 HH22 ARG 4 HH22 ARG 4 25.873 -2.443 -6.363 37 H VAL 5 HN VAL 5 27.052 4.064 -2.932 38 HA VAL 5 HA VAL 5 29.886 4.828 -2.788 39 HB VAL 5 HB VAL 5 29.506 5.338 -0.312 40 HG11 VAL 5 HG11 VAL 5 28.344 7.191 -2.386 41 HG12 VAL 5 HG12 VAL 5 30.045 7.049 -1.943 42 HG13 VAL 5 HG13 VAL 5 28.876 7.662 -0.771 43 HG21 VAL 5 HG21 VAL 5 27.280 6.172 0.319 44 HG22 VAL 5 HG22 VAL 5 27.242 4.451 -0.062 45 HG23 VAL 5 HG23 VAL 5 26.638 5.626 -1.230 46 H GLY 6 HN GLY 6 31.200 3.259 -2.170 47 HA2 GLY 6 HA2 GLY 6 31.776 1.504 -0.592 48 HA3 GLY 6 HA1 GLY 6 30.100 0.991 -0.636 49 H THR 7 HN THR 7 32.960 1.348 -2.683 50 HA THR 7 HA THR 7 32.016 -0.853 -4.381 51 HB THR 7 HB THR 7 33.933 -0.140 -5.896 52 HG1 THR 7 HG1 THR 7 34.110 2.377 -5.204 53 HG21 THR 7 HG21 THR 7 32.681 1.737 -6.854 54 HG22 THR 7 HG22 THR 7 31.727 1.858 -5.376 55 HG23 THR 7 HG23 THR 7 31.603 0.420 -6.390 56 H CYS 8 HN CYS 8 34.841 0.231 -2.547 57 HA CYS 8 HA CYS 8 36.214 -2.296 -2.931 58 HB2 CYS 8 HB2 CYS 8 36.968 0.240 -1.462 59 HB3 CYS 8 HB1 CYS 8 38.008 -1.174 -1.605 60 HA PRO 9 HA PRO 9 34.860 -4.209 0.869 61 HB2 PRO 9 HB2 PRO 9 37.119 -5.569 1.638 62 HB3 PRO 9 HB1 PRO 9 36.046 -6.106 0.328 63 HG2 PRO 9 HG2 PRO 9 38.627 -4.622 0.163 64 HG3 PRO 9 HG1 PRO 9 38.042 -5.982 -0.823 65 HD2 PRO 9 HD2 PRO 9 37.948 -3.458 -1.726 66 HD3 PRO 9 HD1 PRO 9 36.673 -4.632 -2.113 67 H SER 10 HN SER 10 35.279 -4.371 3.202 68 HA SER 10 HA SER 10 36.161 -1.864 4.286 69 HB2 SER 10 HB2 SER 10 34.186 -3.169 5.135 70 HB3 SER 10 HB1 SER 10 35.318 -4.344 5.800 71 HG SER 10 HG SER 10 34.840 -2.899 7.413 72 H GLY 11 HN GLY 11 37.924 -1.396 5.500 73 HA2 GLY 11 HA2 GLY 11 39.844 -1.877 6.808 74 HA3 GLY 11 HA1 GLY 11 39.826 -3.525 6.183 75 H TYR 12 HN TYR 12 39.560 -0.621 4.219 76 HA TYR 12 HA TYR 12 42.288 -1.017 3.197 77 HB2 TYR 12 HB2 TYR 12 39.739 -1.276 1.748 78 HB3 TYR 12 HB1 TYR 12 40.906 -0.209 0.961 79 HD1 TYR 12 HD1 TYR 12 40.080 -3.643 1.812 80 HD2 TYR 12 HD2 TYR 12 43.099 -1.084 0.259 81 HE1 TYR 12 HE1 TYR 12 41.259 -5.600 0.898 82 HE2 TYR 12 HE2 TYR 12 44.289 -3.026 -0.655 83 HH TYR 12 HH TYR 12 42.881 -6.108 -0.879 84 H VAL 13 HN VAL 13 43.014 0.890 1.823 85 HA VAL 13 HA VAL 13 42.142 3.368 3.142 86 HB VAL 13 HB VAL 13 44.654 2.891 1.504 87 HG11 VAL 13 HG11 VAL 13 45.440 5.017 2.447 88 HG12 VAL 13 HG12 VAL 13 43.884 5.237 3.245 89 HG13 VAL 13 HG13 VAL 13 43.979 5.240 1.485 90 HG21 VAL 13 HG21 VAL 13 44.860 1.603 3.487 91 HG22 VAL 13 HG22 VAL 13 44.205 2.906 4.480 92 HG23 VAL 13 HG23 VAL 13 45.796 3.077 3.739 93 H ARG 14 HN ARG 14 40.522 4.299 2.067 94 HA ARG 14 HA ARG 14 40.467 4.276 -0.869 95 HB2 ARG 14 HB2 ARG 14 38.337 5.192 1.066 96 HB3 ARG 14 HB1 ARG 14 38.142 4.945 -0.668 97 HG2 ARG 14 HG2 ARG 14 38.497 2.540 -0.374 98 HG3 ARG 14 HG1 ARG 14 38.686 2.782 1.366 99 HD2 ARG 14 HD2 ARG 14 36.213 3.601 -0.143 100 HD3 ARG 14 HD1 ARG 14 36.408 2.001 0.571 101 HE ARG 14 HE ARG 14 36.935 3.897 2.552 102 HH11 ARG 14 HH11 ARG 14 34.185 2.808 0.657 103 HH12 ARG 14 HH12 ARG 14 33.030 3.233 1.876 104 HH21 ARG 14 HH21 ARG 14 33.722 4.158 3.843 105 HH22 ARG 14 HH22 ARG 14 35.406 4.446 4.133 106 H ARG 15 HN ARG 15 41.778 5.920 -1.546 107 HA ARG 15 HA ARG 15 40.894 8.632 -0.983 108 HB2 ARG 15 HB2 ARG 15 43.693 7.677 -0.360 109 HB3 ARG 15 HB1 ARG 15 43.289 9.376 -0.573 110 HG2 ARG 15 HG2 ARG 15 41.944 9.414 1.349 111 HG3 ARG 15 HG1 ARG 15 41.853 7.650 1.430 112 HD2 ARG 15 HD2 ARG 15 44.246 7.565 1.965 113 HD3 ARG 15 HD1 ARG 15 44.335 9.325 1.873 114 HE ARG 15 HE ARG 15 42.358 8.666 3.726 115 HH11 ARG 15 HH11 ARG 15 45.845 8.366 3.431 116 HH12 ARG 15 HH12 ARG 15 46.109 8.417 5.141 117 HH21 ARG 15 HH21 ARG 15 42.728 8.732 5.962 118 HH22 ARG 15 HH22 ARG 15 44.345 8.625 6.573 119 H GLY 16 HN GLY 16 40.981 9.884 -2.752 120 HA2 GLY 16 HA2 GLY 16 41.653 10.700 -4.817 121 HA3 GLY 16 HA1 GLY 16 42.938 9.496 -4.843 122 H THR 17 HN THR 17 39.623 8.566 -4.301 123 HA THR 17 HA THR 17 38.066 7.406 -5.473 124 HB THR 17 HB THR 17 39.368 7.893 -8.131 125 HG1 THR 17 HG1 THR 17 37.787 9.961 -7.565 126 HG21 THR 17 HG21 THR 17 37.252 6.660 -8.027 127 HG22 THR 17 HG22 THR 17 37.037 8.212 -8.839 128 HG23 THR 17 HG23 THR 17 36.502 8.008 -7.170 129 H PHE 18 HN PHE 18 40.816 6.298 -4.723 130 HA PHE 18 HA PHE 18 40.437 3.713 -6.026 131 HB2 PHE 18 HB2 PHE 18 42.871 3.413 -6.398 132 HB3 PHE 18 HB1 PHE 18 42.193 4.705 -7.377 133 HD1 PHE 18 HD1 PHE 18 42.899 6.978 -7.084 134 HD2 PHE 18 HD2 PHE 18 44.373 3.914 -4.527 135 HE1 PHE 18 HE1 PHE 18 44.647 8.504 -6.270 136 HE2 PHE 18 HE2 PHE 18 46.123 5.436 -3.706 137 HZ PHE 18 HZ PHE 18 46.262 7.734 -4.577 138 H CYS 19 HN CYS 19 41.234 1.921 -4.853 139 HA CYS 19 HA CYS 19 41.915 2.495 -2.044 140 HB2 CYS 19 HB2 CYS 19 40.660 0.463 -1.412 141 HB3 CYS 19 HB1 CYS 19 39.625 1.664 -2.187 142 H PHE 20 HN PHE 20 43.833 1.760 -1.455 143 HA PHE 20 HA PHE 20 44.960 -0.546 -2.888 144 HB2 PHE 20 HB2 PHE 20 47.174 0.448 -2.731 145 HB3 PHE 20 HB1 PHE 20 46.076 1.600 -3.489 146 HD1 PHE 20 HD1 PHE 20 45.224 3.540 -2.131 147 HD2 PHE 20 HD2 PHE 20 48.315 0.960 -0.748 148 HE1 PHE 20 HE1 PHE 20 45.880 5.223 -0.460 149 HE2 PHE 20 HE2 PHE 20 48.976 2.640 0.921 150 HZ PHE 20 HZ PHE 20 47.754 4.766 1.071 151 HA PRO 21 HA PRO 21 45.627 -2.368 1.153 152 HB2 PRO 21 HB2 PRO 21 48.128 -3.659 0.458 153 HB3 PRO 21 HB1 PRO 21 46.514 -4.386 0.593 154 HG2 PRO 21 HG2 PRO 21 47.844 -4.150 -1.758 155 HG3 PRO 21 HG1 PRO 21 46.074 -4.158 -1.628 156 HD2 PRO 21 HD2 PRO 21 47.930 -1.825 -1.941 157 HD3 PRO 21 HD1 PRO 21 46.374 -2.148 -2.739 158 H ASP 22 HN ASP 22 46.411 -1.769 3.024 159 HA ASP 22 HA ASP 22 49.111 -1.035 3.552 160 HB2 ASP 22 HB2 ASP 22 48.167 1.045 2.392 161 HB3 ASP 22 HB1 ASP 22 47.131 1.240 3.802 162 H ASP 23 HN ASP 23 45.751 -0.524 4.634 163 HA ASP 23 HA ASP 23 46.455 -0.907 7.416 164 HB2 ASP 23 HB2 ASP 23 44.721 0.751 6.502 165 HB3 ASP 23 HB1 ASP 23 43.669 -0.641 6.280 166 H ASP 24 HN ASP 24 45.480 -2.863 4.780 167 HA ASP 24 HA ASP 24 44.567 -4.998 6.582 168 HB2 ASP 24 HB2 ASP 24 43.693 -6.089 4.470 169 HB3 ASP 24 HB1 ASP 24 42.894 -4.593 4.934 170 H TYR 25 HN TYR 25 46.430 -5.893 7.283 171 HA TYR 25 HA TYR 25 48.185 -7.105 5.250 172 HB2 TYR 25 HB2 TYR 25 49.106 -5.154 6.723 173 HB3 TYR 25 HB1 TYR 25 49.178 -6.371 7.992 174 HD1 TYR 25 HD1 TYR 25 50.764 -8.220 7.855 175 HD2 TYR 25 HD2 TYR 25 50.608 -5.243 4.820 176 HE1 TYR 25 HE1 TYR 25 52.944 -8.978 7.006 177 HE2 TYR 25 HE2 TYR 25 52.786 -5.992 3.962 178 HH TYR 25 HH TYR 25 54.228 -8.911 4.910 Start of MODEL 19 1 H1 PHE 1 HT1 PHE 1 28.661 15.259 -12.885 2 H2 PHE 1 HT2 PHE 1 27.701 16.623 -13.166 3 H3 PHE 1 HT3 PHE 1 28.067 15.570 -14.440 4 HA PHE 1 HA PHE 1 26.446 14.895 -12.054 5 HB2 PHE 1 HB2 PHE 1 25.529 16.478 -13.938 6 HB3 PHE 1 HB1 PHE 1 25.415 14.992 -14.874 7 HD1 PHE 1 HD1 PHE 1 24.072 16.891 -12.068 8 HD2 PHE 1 HD2 PHE 1 23.835 13.250 -14.258 9 HE1 PHE 1 HE1 PHE 1 21.900 16.405 -11.017 10 HE2 PHE 1 HE2 PHE 1 21.663 12.757 -13.212 11 HZ PHE 1 HZ PHE 1 20.693 14.336 -11.590 12 H GLY 2 HN GLY 2 25.916 12.778 -11.812 13 HA2 GLY 2 HA2 GLY 2 25.549 10.653 -13.219 14 HA3 GLY 2 HA1 GLY 2 27.242 10.879 -13.633 15 H VAL 3 HN VAL 3 26.153 8.579 -12.401 16 HA VAL 3 HA VAL 3 27.625 8.627 -9.859 17 HB VAL 3 HB VAL 3 25.952 6.895 -8.991 18 HG11 VAL 3 HG11 VAL 3 24.429 8.635 -8.156 19 HG12 VAL 3 HG12 VAL 3 25.091 9.760 -9.342 20 HG13 VAL 3 HG13 VAL 3 26.123 9.117 -8.064 21 HG21 VAL 3 HG21 VAL 3 24.749 6.435 -11.070 22 HG22 VAL 3 HG22 VAL 3 24.210 8.113 -11.144 23 HG23 VAL 3 HG23 VAL 3 23.651 7.065 -9.841 24 H ARG 4 HN ARG 4 29.106 7.097 -9.651 25 HA ARG 4 HA ARG 4 29.163 4.923 -11.630 26 HB2 ARG 4 HB2 ARG 4 31.348 6.273 -10.051 27 HB3 ARG 4 HB1 ARG 4 31.608 4.754 -10.895 28 HG2 ARG 4 HG2 ARG 4 30.998 5.837 -13.012 29 HG3 ARG 4 HG1 ARG 4 30.770 7.361 -12.154 30 HD2 ARG 4 HD2 ARG 4 33.367 5.841 -12.106 31 HD3 ARG 4 HD1 ARG 4 32.992 7.041 -13.343 32 HE ARG 4 HE ARG 4 32.582 8.181 -10.807 33 HH11 ARG 4 HH11 ARG 4 36.371 8.220 -12.138 34 HH12 ARG 4 HH12 ARG 4 35.241 7.108 -12.834 35 HH21 ARG 4 HH21 ARG 4 34.077 9.630 -9.912 36 HH22 ARG 4 HH22 ARG 4 35.712 9.645 -10.485 37 H VAL 5 HN VAL 5 29.787 2.805 -10.977 38 HA VAL 5 HA VAL 5 29.242 2.226 -8.141 39 HB VAL 5 HB VAL 5 28.446 -0.061 -8.938 40 HG11 VAL 5 HG11 VAL 5 26.938 1.621 -8.063 41 HG12 VAL 5 HG12 VAL 5 26.179 0.747 -9.393 42 HG13 VAL 5 HG13 VAL 5 26.817 2.370 -9.653 43 HG21 VAL 5 HG21 VAL 5 29.320 0.172 -11.284 44 HG22 VAL 5 HG22 VAL 5 28.028 1.335 -11.585 45 HG23 VAL 5 HG23 VAL 5 27.634 -0.333 -11.170 46 H GLY 6 HN GLY 6 30.658 1.043 -7.029 47 HA2 GLY 6 HA2 GLY 6 32.233 -1.021 -7.555 48 HA3 GLY 6 HA1 GLY 6 33.129 0.254 -8.370 49 H THR 7 HN THR 7 32.111 -1.044 -5.305 50 HA THR 7 HA THR 7 33.840 0.874 -3.887 51 HB THR 7 HB THR 7 32.641 0.011 -1.811 52 HG1 THR 7 HG1 THR 7 31.701 -1.851 -2.752 53 HG21 THR 7 HG21 THR 7 30.687 1.452 -2.157 54 HG22 THR 7 HG22 THR 7 31.000 1.462 -3.892 55 HG23 THR 7 HG23 THR 7 32.155 2.202 -2.782 56 H CYS 8 HN CYS 8 35.228 0.111 -2.227 57 HA CYS 8 HA CYS 8 36.254 -2.584 -2.744 58 HB2 CYS 8 HB2 CYS 8 38.268 -1.745 -1.466 59 HB3 CYS 8 HB1 CYS 8 37.934 -0.905 -2.981 60 HA PRO 9 HA PRO 9 34.825 -4.274 1.124 61 HB2 PRO 9 HB2 PRO 9 36.954 -5.855 1.864 62 HB3 PRO 9 HB1 PRO 9 35.772 -6.306 0.617 63 HG2 PRO 9 HG2 PRO 9 38.488 -5.119 0.297 64 HG3 PRO 9 HG1 PRO 9 37.716 -6.436 -0.618 65 HD2 PRO 9 HD2 PRO 9 37.852 -3.963 -1.620 66 HD3 PRO 9 HD1 PRO 9 36.421 -4.981 -1.877 67 H SER 10 HN SER 10 35.289 -4.448 3.447 68 HA SER 10 HA SER 10 36.351 -2.026 4.497 69 HB2 SER 10 HB2 SER 10 35.826 -3.073 6.721 70 HB3 SER 10 HB1 SER 10 34.469 -3.041 5.596 71 HG SER 10 HG SER 10 36.125 -5.243 6.261 72 H GLY 11 HN GLY 11 38.154 -1.618 5.710 73 HA2 GLY 11 HA2 GLY 11 40.139 -2.177 6.888 74 HA3 GLY 11 HA1 GLY 11 40.108 -3.769 6.133 75 H TYR 12 HN TYR 12 39.656 -0.787 4.353 76 HA TYR 12 HA TYR 12 42.369 -0.958 3.236 77 HB2 TYR 12 HB2 TYR 12 39.801 -1.349 1.834 78 HB3 TYR 12 HB1 TYR 12 40.913 -0.228 1.044 79 HD1 TYR 12 HD1 TYR 12 42.992 -0.993 0.112 80 HD2 TYR 12 HD2 TYR 12 40.374 -3.711 2.071 81 HE1 TYR 12 HE1 TYR 12 44.254 -2.878 -0.834 82 HE2 TYR 12 HE2 TYR 12 41.625 -5.608 1.126 83 HH TYR 12 HH TYR 12 43.103 -6.073 -0.780 84 H VAL 13 HN VAL 13 43.014 1.016 2.045 85 HA VAL 13 HA VAL 13 41.852 3.397 3.323 86 HB VAL 13 HB VAL 13 44.505 3.195 1.859 87 HG11 VAL 13 HG11 VAL 13 43.635 5.472 1.920 88 HG12 VAL 13 HG12 VAL 13 45.034 5.317 2.983 89 HG13 VAL 13 HG13 VAL 13 43.409 5.355 3.666 90 HG21 VAL 13 HG21 VAL 13 43.971 3.152 4.829 91 HG22 VAL 13 HG22 VAL 13 45.560 3.200 4.066 92 HG23 VAL 13 HG23 VAL 13 44.523 1.788 3.856 93 H ARG 14 HN ARG 14 40.399 4.471 2.154 94 HA ARG 14 HA ARG 14 40.451 4.300 -0.776 95 HB2 ARG 14 HB2 ARG 14 38.284 5.436 0.988 96 HB3 ARG 14 HB1 ARG 14 38.159 5.041 -0.726 97 HG2 ARG 14 HG2 ARG 14 38.367 2.667 -0.217 98 HG3 ARG 14 HG1 ARG 14 38.534 3.044 1.505 99 HD2 ARG 14 HD2 ARG 14 36.295 4.054 1.482 100 HD3 ARG 14 HD1 ARG 14 36.131 3.636 -0.223 101 HE ARG 14 HE ARG 14 36.709 1.277 1.086 102 HH11 ARG 14 HH11 ARG 14 34.129 3.658 1.226 103 HH12 ARG 14 HH12 ARG 14 32.937 2.504 1.725 104 HH21 ARG 14 HH21 ARG 14 33.506 0.315 2.017 105 HH22 ARG 14 HH22 ARG 14 35.132 -0.215 1.740 106 H ARG 15 HN ARG 15 41.864 5.836 -1.477 107 HA ARG 15 HA ARG 15 41.086 8.612 -1.132 108 HB2 ARG 15 HB2 ARG 15 43.799 7.584 -0.276 109 HB3 ARG 15 HB1 ARG 15 43.490 9.278 -0.635 110 HG2 ARG 15 HG2 ARG 15 41.692 7.938 1.321 111 HG3 ARG 15 HG1 ARG 15 43.347 8.304 1.834 112 HD2 ARG 15 HD2 ARG 15 41.533 10.359 0.586 113 HD3 ARG 15 HD1 ARG 15 41.589 10.070 2.323 114 HE ARG 15 HE ARG 15 44.201 10.509 1.406 115 HH11 ARG 15 HH11 ARG 15 41.224 12.323 1.842 116 HH12 ARG 15 HH12 ARG 15 42.043 13.832 2.074 117 HH21 ARG 15 HH21 ARG 15 45.250 12.497 1.712 118 HH22 ARG 15 HH22 ARG 15 44.321 13.928 2.001 119 H GLY 16 HN GLY 16 41.439 9.803 -2.925 120 HA2 GLY 16 HA2 GLY 16 42.299 10.439 -4.982 121 HA3 GLY 16 HA1 GLY 16 43.443 9.104 -4.885 122 H THR 17 HN THR 17 39.917 8.963 -4.688 123 HA THR 17 HA THR 17 38.313 7.844 -5.810 124 HB THR 17 HB THR 17 38.356 7.855 -8.302 125 HG1 THR 17 HG1 THR 17 40.645 9.461 -8.285 126 HG21 THR 17 HG21 THR 17 39.046 10.484 -6.984 127 HG22 THR 17 HG22 THR 17 37.442 9.754 -7.071 128 HG23 THR 17 HG23 THR 17 38.248 10.292 -8.544 129 H PHE 18 HN PHE 18 40.815 6.303 -4.959 130 HA PHE 18 HA PHE 18 39.927 3.763 -5.982 131 HB2 PHE 18 HB2 PHE 18 42.313 3.041 -6.600 132 HB3 PHE 18 HB1 PHE 18 41.441 4.025 -7.760 133 HD1 PHE 18 HD1 PHE 18 43.790 4.526 -4.870 134 HD2 PHE 18 HD2 PHE 18 42.642 5.664 -8.812 135 HE1 PHE 18 HE1 PHE 18 45.700 6.071 -4.980 136 HE2 PHE 18 HE2 PHE 18 44.546 7.212 -8.921 137 HZ PHE 18 HZ PHE 18 46.079 7.418 -7.006 138 H CYS 19 HN CYS 19 40.600 1.986 -4.753 139 HA CYS 19 HA CYS 19 41.592 2.708 -2.087 140 HB2 CYS 19 HB2 CYS 19 40.293 0.114 -2.945 141 HB3 CYS 19 HB1 CYS 19 40.565 0.678 -1.295 142 H PHE 20 HN PHE 20 43.540 2.070 -1.389 143 HA PHE 20 HA PHE 20 44.962 0.029 -2.950 144 HB2 PHE 20 HB2 PHE 20 47.055 1.202 -2.555 145 HB3 PHE 20 HB1 PHE 20 45.889 2.316 -3.269 146 HD1 PHE 20 HD1 PHE 20 44.811 4.049 -1.832 147 HD2 PHE 20 HD2 PHE 20 47.987 1.589 -0.427 148 HE1 PHE 20 HE1 PHE 20 45.197 5.611 0.030 149 HE2 PHE 20 HE2 PHE 20 48.377 3.146 1.433 150 HZ PHE 20 HZ PHE 20 46.979 5.152 1.667 151 HA PRO 21 HA PRO 21 45.570 -2.132 0.924 152 HB2 PRO 21 HB2 PRO 21 48.179 -3.184 0.236 153 HB3 PRO 21 HB1 PRO 21 46.612 -4.019 0.206 154 HG2 PRO 21 HG2 PRO 21 48.039 -3.451 -2.030 155 HG3 PRO 21 HG1 PRO 21 46.269 -3.585 -2.002 156 HD2 PRO 21 HD2 PRO 21 47.973 -1.118 -1.959 157 HD3 PRO 21 HD1 PRO 21 46.491 -1.453 -2.882 158 H ASP 22 HN ASP 22 46.241 -1.723 2.885 159 HA ASP 22 HA ASP 22 48.851 -0.880 3.629 160 HB2 ASP 22 HB2 ASP 22 47.799 1.259 2.665 161 HB3 ASP 22 HB1 ASP 22 46.723 1.224 4.059 162 H ASP 23 HN ASP 23 45.419 -0.713 4.592 163 HA ASP 23 HA ASP 23 46.134 -1.699 7.263 164 HB2 ASP 23 HB2 ASP 23 44.844 0.510 6.898 165 HB3 ASP 23 HB1 ASP 23 43.473 -0.510 6.480 166 H ASP 24 HN ASP 24 45.568 -3.156 4.545 167 HA ASP 24 HA ASP 24 43.236 -4.742 5.102 168 HB2 ASP 24 HB2 ASP 24 43.961 -6.062 3.088 169 HB3 ASP 24 HB1 ASP 24 43.725 -4.346 2.792 170 H TYR 25 HN TYR 25 43.398 -5.898 6.934 171 HA TYR 25 HA TYR 25 45.734 -7.597 7.395 172 HB2 TYR 25 HB2 TYR 25 43.398 -6.831 9.152 173 HB3 TYR 25 HB1 TYR 25 44.593 -8.035 9.621 174 HD1 TYR 25 HD1 TYR 25 43.936 -4.478 9.130 175 HD2 TYR 25 HD2 TYR 25 46.891 -7.368 10.141 176 HE1 TYR 25 HE1 TYR 25 45.374 -2.689 10.015 177 HE2 TYR 25 HE2 TYR 25 48.337 -5.587 11.028 178 HH TYR 25 HH TYR 25 48.650 -3.167 10.766 Start of MODEL 20 1 H1 PHE 1 HT1 PHE 1 25.335 3.586 13.033 2 H2 PHE 1 HT2 PHE 1 23.972 4.403 12.454 3 H3 PHE 1 HT3 PHE 1 25.511 5.074 12.246 4 HA PHE 1 HA PHE 1 24.698 4.121 10.191 5 HB2 PHE 1 HB2 PHE 1 27.023 2.698 11.503 6 HB3 PHE 1 HB1 PHE 1 26.635 2.544 9.793 7 HD1 PHE 1 HD1 PHE 1 27.941 4.748 12.398 8 HD2 PHE 1 HD2 PHE 1 27.010 4.379 8.261 9 HE1 PHE 1 HE1 PHE 1 29.268 6.765 11.923 10 HE2 PHE 1 HE2 PHE 1 28.336 6.395 7.779 11 HZ PHE 1 HZ PHE 1 29.467 7.591 9.611 12 H GLY 2 HN GLY 2 23.734 2.489 9.075 13 HA2 GLY 2 HA2 GLY 2 22.766 0.213 10.687 14 HA3 GLY 2 HA1 GLY 2 21.908 0.909 9.321 15 H VAL 3 HN VAL 3 22.674 0.507 7.196 16 HA VAL 3 HA VAL 3 24.691 -1.593 6.901 17 HB VAL 3 HB VAL 3 23.185 -2.729 5.172 18 HG11 VAL 3 HG11 VAL 3 23.772 -3.758 7.283 19 HG12 VAL 3 HG12 VAL 3 22.095 -4.117 6.875 20 HG13 VAL 3 HG13 VAL 3 22.465 -2.895 8.092 21 HG21 VAL 3 HG21 VAL 3 21.024 -1.261 6.698 22 HG22 VAL 3 HG22 VAL 3 20.759 -2.567 5.543 23 HG23 VAL 3 HG23 VAL 3 21.433 -1.031 4.998 24 H ARG 4 HN ARG 4 26.126 -1.012 5.449 25 HA ARG 4 HA ARG 4 25.275 0.600 3.136 26 HB2 ARG 4 HB2 ARG 4 27.682 1.008 4.907 27 HB3 ARG 4 HB1 ARG 4 27.589 1.678 3.285 28 HG2 ARG 4 HG2 ARG 4 25.591 2.939 3.920 29 HG3 ARG 4 HG1 ARG 4 25.684 2.265 5.547 30 HD2 ARG 4 HD2 ARG 4 26.664 4.403 5.692 31 HD3 ARG 4 HD1 ARG 4 28.010 3.266 5.676 32 HE ARG 4 HE ARG 4 27.522 4.058 3.043 33 HH11 ARG 4 HH11 ARG 4 29.638 6.696 5.211 34 HH12 ARG 4 HH12 ARG 4 28.672 5.511 6.026 35 HH21 ARG 4 HH21 ARG 4 28.793 5.617 1.999 36 HH22 ARG 4 HH22 ARG 4 29.704 6.755 2.932 37 H VAL 5 HN VAL 5 26.314 0.206 1.196 38 HA VAL 5 HA VAL 5 28.227 -2.022 1.127 39 HB VAL 5 HB VAL 5 27.096 -2.788 -1.036 40 HG11 VAL 5 HG11 VAL 5 25.664 -3.157 1.589 41 HG12 VAL 5 HG12 VAL 5 27.043 -4.086 1.005 42 HG13 VAL 5 HG13 VAL 5 25.493 -4.196 0.174 43 HG21 VAL 5 HG21 VAL 5 24.771 -1.231 0.113 44 HG22 VAL 5 HG22 VAL 5 24.682 -2.371 -1.230 45 HG23 VAL 5 HG23 VAL 5 25.608 -0.880 -1.400 46 H GLY 6 HN GLY 6 30.028 -1.472 0.140 47 HA2 GLY 6 HA2 GLY 6 29.951 0.703 -1.858 48 HA3 GLY 6 HA1 GLY 6 31.325 0.355 -0.821 49 H THR 7 HN THR 7 32.601 0.310 -2.754 50 HA THR 7 HA THR 7 32.209 -2.064 -4.432 51 HB THR 7 HB THR 7 32.322 -0.016 -5.730 52 HG1 THR 7 HG1 THR 7 33.649 -0.842 -7.223 53 HG21 THR 7 HG21 THR 7 33.634 1.471 -4.369 54 HG22 THR 7 HG22 THR 7 34.471 1.263 -5.904 55 HG23 THR 7 HG23 THR 7 35.039 0.409 -4.473 56 H CYS 8 HN CYS 8 34.612 -0.449 -2.413 57 HA CYS 8 HA CYS 8 36.514 -2.620 -2.778 58 HB2 CYS 8 HB2 CYS 8 36.691 0.008 -1.294 59 HB3 CYS 8 HB1 CYS 8 37.996 -1.164 -1.406 60 HA PRO 9 HA PRO 9 35.401 -4.728 1.001 61 HB2 PRO 9 HB2 PRO 9 37.835 -5.692 1.820 62 HB3 PRO 9 HB1 PRO 9 36.896 -6.400 0.489 63 HG2 PRO 9 HG2 PRO 9 39.207 -4.522 0.378 64 HG3 PRO 9 HG1 PRO 9 38.861 -5.949 -0.626 65 HD2 PRO 9 HD2 PRO 9 38.390 -3.447 -1.500 66 HD3 PRO 9 HD1 PRO 9 37.351 -4.814 -1.954 67 H SER 10 HN SER 10 35.798 -4.807 3.345 68 HA SER 10 HA SER 10 36.262 -2.175 4.411 69 HB2 SER 10 HB2 SER 10 35.591 -4.776 5.806 70 HB3 SER 10 HB1 SER 10 35.591 -3.185 6.566 71 HG SER 10 HG SER 10 34.042 -3.717 4.268 72 H GLY 11 HN GLY 11 37.872 -1.467 5.729 73 HA2 GLY 11 HA2 GLY 11 39.782 -1.657 7.111 74 HA3 GLY 11 HA1 GLY 11 40.014 -3.302 6.526 75 H TYR 12 HN TYR 12 39.362 -0.985 4.102 76 HA TYR 12 HA TYR 12 42.193 -0.974 3.302 77 HB2 TYR 12 HB2 TYR 12 39.660 -1.309 1.832 78 HB3 TYR 12 HB1 TYR 12 40.822 -0.229 1.056 79 HD1 TYR 12 HD1 TYR 12 40.260 -3.680 2.247 80 HD2 TYR 12 HD2 TYR 12 42.816 -1.064 0.076 81 HE1 TYR 12 HE1 TYR 12 41.487 -5.622 1.365 82 HE2 TYR 12 HE2 TYR 12 44.055 -2.994 -0.806 83 HH TYR 12 HH TYR 12 44.478 -5.343 -0.212 84 H VAL 13 HN VAL 13 42.908 0.959 2.043 85 HA VAL 13 HA VAL 13 41.858 3.393 3.314 86 HB VAL 13 HB VAL 13 44.494 3.016 1.853 87 HG11 VAL 13 HG11 VAL 13 43.739 5.339 1.788 88 HG12 VAL 13 HG12 VAL 13 45.135 5.165 2.852 89 HG13 VAL 13 HG13 VAL 13 43.519 5.327 3.539 90 HG21 VAL 13 HG21 VAL 13 43.910 3.114 4.811 91 HG22 VAL 13 HG22 VAL 13 45.520 3.130 4.093 92 HG23 VAL 13 HG23 VAL 13 44.480 1.719 3.896 93 H ARG 14 HN ARG 14 40.395 4.460 2.151 94 HA ARG 14 HA ARG 14 40.445 4.314 -0.781 95 HB2 ARG 14 HB2 ARG 14 38.295 5.454 1.003 96 HB3 ARG 14 HB1 ARG 14 38.159 5.095 -0.716 97 HG2 ARG 14 HG2 ARG 14 38.377 2.696 -0.231 98 HG3 ARG 14 HG1 ARG 14 38.476 3.065 1.494 99 HD2 ARG 14 HD2 ARG 14 36.235 2.447 1.106 100 HD3 ARG 14 HD1 ARG 14 36.225 4.204 1.234 101 HE ARG 14 HE ARG 14 36.496 3.607 -1.459 102 HH11 ARG 14 HH11 ARG 14 34.076 3.067 1.029 103 HH12 ARG 14 HH12 ARG 14 32.757 3.065 -0.094 104 HH21 ARG 14 HH21 ARG 14 33.144 3.367 -2.322 105 HH22 ARG 14 HH22 ARG 14 34.756 3.600 -2.909 106 H ARG 15 HN ARG 15 41.881 5.838 -1.468 107 HA ARG 15 HA ARG 15 41.138 8.622 -1.106 108 HB2 ARG 15 HB2 ARG 15 43.817 7.542 -0.213 109 HB3 ARG 15 HB1 ARG 15 43.556 9.241 -0.585 110 HG2 ARG 15 HG2 ARG 15 42.066 9.518 1.215 111 HG3 ARG 15 HG1 ARG 15 41.880 7.773 1.436 112 HD2 ARG 15 HD2 ARG 15 44.226 7.630 2.146 113 HD3 ARG 15 HD1 ARG 15 44.404 9.369 1.920 114 HE ARG 15 HE ARG 15 42.270 8.916 3.676 115 HH11 ARG 15 HH11 ARG 15 45.765 8.571 3.646 116 HH12 ARG 15 HH12 ARG 15 45.916 8.781 5.359 117 HH21 ARG 15 HH21 ARG 15 42.491 9.183 5.916 118 HH22 ARG 15 HH22 ARG 15 44.063 9.126 6.642 119 H GLY 16 HN GLY 16 41.550 9.834 -2.875 120 HA2 GLY 16 HA2 GLY 16 42.451 10.479 -4.913 121 HA3 GLY 16 HA1 GLY 16 43.564 9.116 -4.820 122 H THR 17 HN THR 17 40.023 9.126 -4.717 123 HA THR 17 HA THR 17 38.409 8.062 -5.878 124 HB THR 17 HB THR 17 38.527 8.081 -8.369 125 HG1 THR 17 HG1 THR 17 40.323 9.025 -9.356 126 HG21 THR 17 HG21 THR 17 38.520 10.525 -8.599 127 HG22 THR 17 HG22 THR 17 39.270 10.674 -7.009 128 HG23 THR 17 HG23 THR 17 37.644 10.005 -7.158 129 H PHE 18 HN PHE 18 40.826 6.413 -4.972 130 HA PHE 18 HA PHE 18 39.849 3.911 -5.980 131 HB2 PHE 18 HB2 PHE 18 42.193 3.095 -6.652 132 HB3 PHE 18 HB1 PHE 18 41.324 4.095 -7.799 133 HD1 PHE 18 HD1 PHE 18 43.784 4.524 -4.993 134 HD2 PHE 18 HD2 PHE 18 42.534 5.698 -8.893 135 HE1 PHE 18 HE1 PHE 18 45.743 5.999 -5.174 136 HE2 PHE 18 HE2 PHE 18 44.490 7.179 -9.073 137 HZ PHE 18 HZ PHE 18 46.097 7.330 -7.214 138 H CYS 19 HN CYS 19 40.479 2.121 -4.753 139 HA CYS 19 HA CYS 19 41.587 2.820 -2.129 140 HB2 CYS 19 HB2 CYS 19 40.553 0.714 -1.357 141 HB3 CYS 19 HB1 CYS 19 39.373 1.794 -2.101 142 H PHE 20 HN PHE 20 43.432 1.955 -1.357 143 HA PHE 20 HA PHE 20 44.747 -0.117 -2.967 144 HB2 PHE 20 HB2 PHE 20 46.901 0.974 -2.659 145 HB3 PHE 20 HB1 PHE 20 45.762 2.121 -3.364 146 HD1 PHE 20 HD1 PHE 20 47.941 1.385 -0.597 147 HD2 PHE 20 HD2 PHE 20 44.774 3.909 -1.906 148 HE1 PHE 20 HE1 PHE 20 48.455 2.964 1.217 149 HE2 PHE 20 HE2 PHE 20 45.284 5.492 -0.093 150 HZ PHE 20 HZ PHE 20 47.123 5.013 1.473 151 HA PRO 21 HA PRO 21 45.405 -2.210 0.942 152 HB2 PRO 21 HB2 PRO 21 47.951 -3.372 0.205 153 HB3 PRO 21 HB1 PRO 21 46.353 -4.148 0.228 154 HG2 PRO 21 HG2 PRO 21 47.749 -3.671 -2.052 155 HG3 PRO 21 HG1 PRO 21 45.978 -3.750 -1.980 156 HD2 PRO 21 HD2 PRO 21 47.756 -1.338 -2.030 157 HD3 PRO 21 HD1 PRO 21 46.239 -1.644 -2.907 158 H ASP 22 HN ASP 22 46.145 -1.745 2.870 159 HA ASP 22 HA ASP 22 48.820 -0.950 3.475 160 HB2 ASP 22 HB2 ASP 22 47.767 1.182 2.529 161 HB3 ASP 22 HB1 ASP 22 46.718 1.177 3.944 162 H ASP 23 HN ASP 23 45.447 -0.702 4.614 163 HA ASP 23 HA ASP 23 46.250 -1.501 7.305 164 HB2 ASP 23 HB2 ASP 23 44.661 0.457 6.763 165 HB3 ASP 23 HB1 ASP 23 43.458 -0.779 6.417 166 H ASP 24 HN ASP 24 45.027 -2.872 4.437 167 HA ASP 24 HA ASP 24 44.231 -5.304 5.892 168 HB2 ASP 24 HB2 ASP 24 42.344 -3.891 4.756 169 HB3 ASP 24 HB1 ASP 24 42.968 -4.584 3.263 170 H TYR 25 HN TYR 25 45.910 -6.635 5.573 171 HA TYR 25 HA TYR 25 47.206 -6.767 2.953 172 HB2 TYR 25 HB2 TYR 25 47.993 -7.863 5.656 173 HB3 TYR 25 HB1 TYR 25 48.874 -8.223 4.176 174 HD1 TYR 25 HD1 TYR 25 50.207 -6.506 3.072 175 HD2 TYR 25 HD2 TYR 25 48.107 -5.665 6.676 176 HE1 TYR 25 HE1 TYR 25 51.531 -4.454 3.359 177 HE2 TYR 25 HE2 TYR 25 49.425 -3.611 6.971 178 HH TYR 25 HH TYR 25 51.589 -2.693 6.258
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