NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620322 | 5t6v | 30168 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 0.180 -7.426 -7.060 2 H2 SER 1 2H SER 1 0.097 -5.757 -7.078 3 H3 SER 1 3H SER 1 -0.535 -6.621 -5.799 4 HA SER 1 HA SER 1 1.686 -7.433 -5.303 5 HB2 SER 1 1HB SER 1 3.483 -5.884 -6.343 6 HB3 SER 1 2HB SER 1 2.912 -7.274 -7.294 7 HG SER 1 HG SER 1 2.949 -5.237 -8.448 8 H THR 2 H THR 2 0.812 -4.049 -6.221 9 HA THR 2 HA THR 2 1.919 -2.967 -3.834 10 HB THR 2 HB THR 2 -0.306 -1.862 -5.609 11 HG1 THR 2 HG1 THR 2 1.314 -1.472 -6.984 12 HG21 THR 2 1HG2 THR 2 -0.037 -0.771 -3.418 13 HG22 THR 2 2HG2 THR 2 0.408 0.288 -4.781 14 HG23 THR 2 3HG2 THR 2 1.678 -0.466 -3.788 15 H CYS 3 H CYS 3 1.069 -2.629 -1.821 16 HA CYS 3 HA CYS 3 -1.096 -4.392 -1.137 17 HB2 CYS 3 1HB CYS 3 -0.044 -2.377 0.764 18 HB3 CYS 3 2HB CYS 3 -0.429 -4.069 1.066 19 H CYS 4 H CYS 4 -0.835 -0.813 -1.180 20 HA CYS 4 HA CYS 4 -3.786 -0.719 -0.789 21 HB2 CYS 4 1HB CYS 4 -2.001 -0.000 1.168 22 HB3 CYS 4 2HB CYS 4 -2.193 1.549 0.366 23 H GLY 5 H GLY 5 -4.869 1.109 -1.669 24 HA2 GLY 5 1HA GLY 5 -3.878 1.949 -4.259 25 HA3 GLY 5 2HA GLY 5 -5.332 2.499 -3.433 26 H TYR 6 H TYR 6 -2.226 2.949 -1.966 27 HA TYR 6 HA TYR 6 -2.004 5.761 -2.913 28 HB2 TYR 6 1HB TYR 6 -3.376 5.359 -0.627 29 HB3 TYR 6 2HB TYR 6 -1.748 5.215 0.011 30 HD1 TYR 6 HD1 TYR 6 -4.132 7.408 -1.817 31 HD2 TYR 6 HD2 TYR 6 -0.414 7.209 0.324 32 HE1 TYR 6 HE1 TYR 6 -3.997 9.897 -1.784 33 HE2 TYR 6 HE2 TYR 6 -0.325 9.701 0.418 34 HH TYR 6 HH TYR 6 -2.822 11.782 -1.018 35 H ARG 7 H ARG 7 -0.843 2.974 -2.922 36 HA ARG 7 HA ARG 7 1.122 1.953 -3.030 37 HB2 ARG 7 1HB ARG 7 2.299 4.740 -2.992 38 HB3 ARG 7 2HB ARG 7 3.180 3.276 -3.434 39 HG2 ARG 7 1HG ARG 7 1.300 2.959 -5.232 40 HG3 ARG 7 2HG ARG 7 0.907 4.633 -4.860 41 HD2 ARG 7 1HD ARG 7 2.358 4.831 -6.710 42 HD3 ARG 7 2HD ARG 7 3.436 5.141 -5.336 43 HE ARG 7 HE ARG 7 3.387 2.314 -6.044 44 HH11 ARG 7 1HH1 ARG 7 5.156 1.441 -7.200 45 HH12 ARG 7 2HH1 ARG 7 6.313 2.503 -7.973 46 HH21 ARG 7 1HH2 ARG 7 4.713 5.405 -7.078 47 HH22 ARG 7 2HH2 ARG 7 6.039 4.682 -7.917 48 H MET 8 H MET 8 0.266 3.462 -0.244 49 HA MET 8 HA MET 8 2.652 2.975 1.348 50 HB2 MET 8 1HB MET 8 -0.305 3.138 2.113 51 HB3 MET 8 2HB MET 8 1.064 3.121 3.254 52 HG2 MET 8 1HG MET 8 1.939 5.188 2.160 53 HG3 MET 8 2HG MET 8 0.450 5.285 1.186 54 HE1 MET 8 1HE MET 8 -2.002 4.617 2.931 55 HE2 MET 8 2HE MET 8 -1.868 6.179 2.086 56 HE3 MET 8 3HE MET 8 -2.305 6.148 3.802 57 H CYS 9 H CYS 9 3.060 1.041 2.602 58 HA CYS 9 HA CYS 9 1.316 -1.252 1.876 59 HB2 CYS 9 1HB CYS 9 4.161 -0.804 1.222 60 HB3 CYS 9 2HB CYS 9 3.808 -2.363 1.958 61 H VAL 10 H VAL 10 0.499 -2.116 3.598 62 HA VAL 10 HA VAL 10 0.273 -3.060 5.651 63 HB VAL 10 HB VAL 10 3.219 -3.632 5.572 64 HG11 VAL 10 1HG1 VAL 10 2.111 -4.145 7.706 65 HG12 VAL 10 2HG1 VAL 10 2.444 -5.685 6.822 66 HG13 VAL 10 3HG1 VAL 10 0.794 -4.963 6.828 67 HG21 VAL 10 1HG2 VAL 10 2.334 -4.339 3.409 68 HG22 VAL 10 2HG2 VAL 10 0.886 -4.984 4.174 69 HG23 VAL 10 3HG2 VAL 10 2.421 -5.779 4.443 70 HA PRO 11 HA PRO 11 -1.314 -2.285 7.211 71 HB2 PRO 11 1HB PRO 11 -1.790 0.620 7.861 72 HB3 PRO 11 2HB PRO 11 -2.444 -0.870 8.611 73 HG2 PRO 11 1HG PRO 11 -0.657 0.566 9.845 74 HG3 PRO 11 2HG PRO 11 -0.538 -1.220 9.914 75 HD2 PRO 11 1HD PRO 11 0.964 0.761 8.117 76 HD3 PRO 11 2HD PRO 11 1.572 -0.644 9.075 77 H CYS 12 H CYS 12 -3.307 -1.500 6.341 78 HA CYS 12 HA CYS 12 -3.141 0.526 4.218 79 HB2 CYS 12 1HB CYS 12 -2.582 -1.484 2.964 80 HB3 CYS 12 2HB CYS 12 -3.905 -2.413 3.724 81 HN1 NH2 13 1H NH2 13 -6.632 1.039 4.884 82 HN2 NH2 13 2H NH2 13 -5.264 1.515 3.911 Start of MODEL 2 1 H1 SER 1 1H SER 1 5.025 -4.465 -5.218 2 H2 SER 1 2H SER 1 5.099 -5.962 -4.580 3 H3 SER 1 3H SER 1 5.097 -4.649 -3.544 4 HA SER 1 HA SER 1 2.867 -5.476 -5.323 5 HB2 SER 1 1HB SER 1 3.126 -6.959 -3.395 6 HB3 SER 1 2HB SER 1 3.237 -5.599 -2.282 7 HG SER 1 HG SER 1 1.093 -6.847 -2.858 8 H THR 2 H THR 2 1.127 -3.909 -5.368 9 HA THR 2 HA THR 2 1.775 -1.186 -4.640 10 HB THR 2 HB THR 2 -0.946 -2.415 -5.363 11 HG1 THR 2 HG1 THR 2 -0.341 -2.199 -7.452 12 HG21 THR 2 1HG2 THR 2 -1.338 -0.175 -6.433 13 HG22 THR 2 2HG2 THR 2 0.179 0.403 -5.692 14 HG23 THR 2 3HG2 THR 2 -1.176 -0.107 -4.659 15 H CYS 3 H CYS 3 -0.125 -3.806 -3.292 16 HA CYS 3 HA CYS 3 -1.006 -4.247 -1.262 17 HB2 CYS 3 1HB CYS 3 0.435 -1.738 -0.351 18 HB3 CYS 3 2HB CYS 3 -0.534 -2.739 0.696 19 H CYS 4 H CYS 4 -1.143 -0.681 -1.146 20 HA CYS 4 HA CYS 4 -4.123 -0.858 -1.240 21 HB2 CYS 4 1HB CYS 4 -2.288 0.284 0.762 22 HB3 CYS 4 2HB CYS 4 -3.576 1.380 0.262 23 H GLY 5 H GLY 5 -5.084 1.327 -1.771 24 HA2 GLY 5 1HA GLY 5 -3.892 2.203 -4.253 25 HA3 GLY 5 2HA GLY 5 -5.387 2.758 -3.559 26 H TYR 6 H TYR 6 -2.287 2.854 -1.931 27 HA TYR 6 HA TYR 6 -1.967 5.804 -2.410 28 HB2 TYR 6 1HB TYR 6 -1.790 4.508 0.374 29 HB3 TYR 6 2HB TYR 6 -1.664 6.207 -0.064 30 HD1 TYR 6 HD1 TYR 6 -3.834 3.535 1.017 31 HD2 TYR 6 HD2 TYR 6 -3.761 7.380 -1.047 32 HE1 TYR 6 HE1 TYR 6 -6.256 3.897 1.433 33 HE2 TYR 6 HE2 TYR 6 -6.182 7.702 -0.608 34 HH TYR 6 HH TYR 6 -8.147 6.674 0.393 35 H ARG 7 H ARG 7 -0.932 2.942 -2.987 36 HA ARG 7 HA ARG 7 0.950 1.745 -3.302 37 HB2 ARG 7 1HB ARG 7 2.253 4.490 -3.063 38 HB3 ARG 7 2HB ARG 7 3.025 3.041 -3.709 39 HG2 ARG 7 1HG ARG 7 1.460 2.958 -5.567 40 HG3 ARG 7 2HG ARG 7 0.573 4.353 -4.958 41 HD2 ARG 7 1HD ARG 7 2.444 5.828 -5.414 42 HD3 ARG 7 2HD ARG 7 3.535 4.479 -5.677 43 HE ARG 7 HE ARG 7 1.365 4.357 -7.518 44 HH11 ARG 7 1HH1 ARG 7 1.636 4.900 -9.641 45 HH12 ARG 7 2HH1 ARG 7 2.949 5.958 -10.122 46 HH21 ARG 7 1HH2 ARG 7 4.241 6.334 -6.996 47 HH22 ARG 7 2HH2 ARG 7 4.399 6.700 -8.666 48 H MET 8 H MET 8 0.228 2.895 -0.341 49 HA MET 8 HA MET 8 2.763 2.293 0.987 50 HB2 MET 8 1HB MET 8 0.926 4.118 1.566 51 HB3 MET 8 2HB MET 8 0.171 2.772 2.405 52 HG2 MET 8 1HG MET 8 1.445 3.967 4.019 53 HG3 MET 8 2HG MET 8 2.256 2.397 3.727 54 HE1 MET 8 1HE MET 8 2.158 6.189 3.114 55 HE2 MET 8 2HE MET 8 2.415 5.806 1.396 56 HE3 MET 8 3HE MET 8 3.713 6.589 2.332 57 H CYS 9 H CYS 9 3.178 0.507 2.162 58 HA CYS 9 HA CYS 9 1.116 -1.611 2.170 59 HB2 CYS 9 1HB CYS 9 4.153 -1.693 2.206 60 HB3 CYS 9 2HB CYS 9 3.153 -3.053 2.664 61 H VAL 10 H VAL 10 1.327 -2.988 4.135 62 HA VAL 10 HA VAL 10 0.343 -2.514 6.300 63 HB VAL 10 HB VAL 10 2.855 -3.254 7.434 64 HG11 VAL 10 1HG1 VAL 10 0.419 -4.929 6.641 65 HG12 VAL 10 2HG1 VAL 10 0.611 -3.977 8.155 66 HG13 VAL 10 3HG1 VAL 10 1.685 -5.373 7.814 67 HG21 VAL 10 1HG2 VAL 10 3.529 -5.105 6.091 68 HG22 VAL 10 2HG2 VAL 10 3.699 -3.594 5.179 69 HG23 VAL 10 3HG2 VAL 10 2.307 -4.740 4.844 70 HA PRO 11 HA PRO 11 -1.132 -1.374 7.861 71 HB2 PRO 11 1HB PRO 11 -1.384 1.596 7.370 72 HB3 PRO 11 2HB PRO 11 -2.239 0.558 8.533 73 HG2 PRO 11 1HG PRO 11 -0.334 2.108 9.366 74 HG3 PRO 11 2HG PRO 11 -0.357 0.409 9.923 75 HD2 PRO 11 1HD PRO 11 1.301 1.668 7.766 76 HD3 PRO 11 2HD PRO 11 1.821 0.539 9.047 77 H CYS 12 H CYS 12 -2.787 -1.702 6.446 78 HA CYS 12 HA CYS 12 -3.125 -0.096 4.080 79 HB2 CYS 12 1HB CYS 12 -1.491 -1.505 3.062 80 HB3 CYS 12 2HB CYS 12 -2.193 -2.955 3.764 81 HN1 NH2 13 1H NH2 13 -5.650 -3.205 5.113 82 HN2 NH2 13 2H NH2 13 -3.922 -3.470 5.020 Start of MODEL 3 1 H1 SER 1 1H SER 1 4.024 -3.128 -8.305 2 H2 SER 1 2H SER 1 2.759 -4.055 -8.854 3 H3 SER 1 3H SER 1 4.255 -4.724 -8.725 4 HA SER 1 HA SER 1 2.744 -5.382 -6.940 5 HB2 SER 1 1HB SER 1 5.294 -3.823 -6.243 6 HB3 SER 1 2HB SER 1 4.509 -5.068 -5.199 7 HG SER 1 HG SER 1 5.998 -6.194 -6.343 8 H THR 2 H THR 2 1.100 -4.667 -5.588 9 HA THR 2 HA THR 2 1.171 -1.920 -4.529 10 HB THR 2 HB THR 2 -0.065 -1.795 -6.744 11 HG1 THR 2 HG1 THR 2 -1.034 -0.312 -5.630 12 HG21 THR 2 1HG2 THR 2 -2.291 -2.858 -6.938 13 HG22 THR 2 2HG2 THR 2 -2.043 -3.720 -5.396 14 HG23 THR 2 3HG2 THR 2 -1.019 -4.085 -6.815 15 H CYS 3 H CYS 3 -0.337 -1.798 -2.686 16 HA CYS 3 HA CYS 3 -1.203 -4.497 -1.759 17 HB2 CYS 3 1HB CYS 3 -0.034 -2.432 0.083 18 HB3 CYS 3 2HB CYS 3 -0.383 -4.103 0.473 19 H CYS 4 H CYS 4 -1.747 -0.995 -1.769 20 HA CYS 4 HA CYS 4 -4.406 -1.448 -0.430 21 HB2 CYS 4 1HB CYS 4 -2.379 -0.609 0.991 22 HB3 CYS 4 2HB CYS 4 -2.768 0.983 0.252 23 H GLY 5 H GLY 5 -2.334 0.877 -2.261 24 HA2 GLY 5 1HA GLY 5 -3.400 1.527 -4.451 25 HA3 GLY 5 2HA GLY 5 -4.878 1.790 -3.528 26 H TYR 6 H TYR 6 -1.682 2.931 -2.478 27 HA TYR 6 HA TYR 6 -2.163 5.594 -3.638 28 HB2 TYR 6 1HB TYR 6 -3.377 5.849 -1.585 29 HB3 TYR 6 2HB TYR 6 -2.144 5.037 -0.618 30 HD1 TYR 6 HD1 TYR 6 -0.965 6.389 0.785 31 HD2 TYR 6 HD2 TYR 6 -2.103 7.954 -3.032 32 HE1 TYR 6 HE1 TYR 6 0.242 8.508 1.255 33 HE2 TYR 6 HE2 TYR 6 -0.961 10.075 -2.554 34 HH TYR 6 HH TYR 6 0.181 11.266 -1.119 35 H ARG 7 H ARG 7 -0.330 3.841 -1.053 36 HA ARG 7 HA ARG 7 1.926 3.148 -2.548 37 HB2 ARG 7 1HB ARG 7 3.692 4.666 -1.721 38 HB3 ARG 7 2HB ARG 7 2.589 5.427 -2.888 39 HG2 ARG 7 1HG ARG 7 1.424 6.597 -1.102 40 HG3 ARG 7 2HG ARG 7 2.569 5.896 0.116 41 HD2 ARG 7 1HD ARG 7 3.397 7.539 -2.270 42 HD3 ARG 7 2HD ARG 7 3.232 8.215 -0.656 43 HE ARG 7 HE ARG 7 4.919 6.377 -0.021 44 HH11 ARG 7 1HH1 ARG 7 7.168 6.192 -0.324 45 HH12 ARG 7 2HH1 ARG 7 7.903 6.840 -1.746 46 HH21 ARG 7 1HH2 ARG 7 5.019 8.021 -3.125 47 HH22 ARG 7 2HH2 ARG 7 6.729 7.842 -3.300 48 H MET 8 H MET 8 0.510 3.980 0.546 49 HA MET 8 HA MET 8 2.546 2.741 2.163 50 HB2 MET 8 1HB MET 8 -0.439 3.189 2.692 51 HB3 MET 8 2HB MET 8 0.789 2.848 3.902 52 HG2 MET 8 1HG MET 8 1.987 4.917 3.204 53 HG3 MET 8 2HG MET 8 0.625 5.287 2.142 54 HE1 MET 8 1HE MET 8 -2.024 4.764 3.512 55 HE2 MET 8 2HE MET 8 -1.554 6.341 2.836 56 HE3 MET 8 3HE MET 8 -2.262 6.276 4.445 57 H CYS 9 H CYS 9 2.918 0.704 2.666 58 HA CYS 9 HA CYS 9 0.803 -1.340 2.100 59 HB2 CYS 9 1HB CYS 9 2.563 -1.332 0.253 60 HB3 CYS 9 2HB CYS 9 3.813 -1.486 1.507 61 H VAL 10 H VAL 10 0.480 -2.573 3.762 62 HA VAL 10 HA VAL 10 0.295 -2.822 6.036 63 HB VAL 10 HB VAL 10 2.038 -4.392 6.939 64 HG11 VAL 10 1HG1 VAL 10 1.317 -6.199 5.442 65 HG12 VAL 10 2HG1 VAL 10 0.804 -5.023 4.202 66 HG13 VAL 10 3HG1 VAL 10 -0.029 -5.098 5.780 67 HG21 VAL 10 1HG2 VAL 10 3.930 -3.483 5.449 68 HG22 VAL 10 2HG2 VAL 10 3.176 -4.344 4.108 69 HG23 VAL 10 3HG2 VAL 10 3.785 -5.263 5.502 70 HA PRO 11 HA PRO 11 -0.793 -1.462 7.665 71 HB2 PRO 11 1HB PRO 11 -0.645 1.535 7.449 72 HB3 PRO 11 2HB PRO 11 -1.452 0.544 8.667 73 HG2 PRO 11 1HG PRO 11 0.834 1.708 9.347 74 HG3 PRO 11 2HG PRO 11 0.523 0.005 9.797 75 HD2 PRO 11 1HD PRO 11 2.062 1.146 7.472 76 HD3 PRO 11 2HD PRO 11 2.555 -0.137 8.653 77 H CYS 12 H CYS 12 -2.755 -1.092 6.680 78 HA CYS 12 HA CYS 12 -2.886 0.453 4.201 79 HB2 CYS 12 1HB CYS 12 -2.431 -1.727 3.292 80 HB3 CYS 12 2HB CYS 12 -3.488 -2.509 4.445 81 HN1 NH2 13 1H NH2 13 -5.863 1.466 5.793 82 HN2 NH2 13 2H NH2 13 -4.416 1.942 5.007 Start of MODEL 4 1 H1 SER 1 1H SER 1 5.856 -2.081 -5.236 2 H2 SER 1 2H SER 1 5.791 -0.945 -4.011 3 H3 SER 1 3H SER 1 4.739 -0.942 -5.286 4 HA SER 1 HA SER 1 3.789 -3.044 -4.621 5 HB2 SER 1 1HB SER 1 5.959 -3.756 -3.437 6 HB3 SER 1 2HB SER 1 5.505 -2.686 -2.105 7 HG SER 1 HG SER 1 4.883 -4.953 -1.914 8 H THR 2 H THR 2 1.984 -1.627 -4.655 9 HA THR 2 HA THR 2 1.545 0.039 -2.191 10 HB THR 2 HB THR 2 1.374 1.434 -4.127 11 HG1 THR 2 HG1 THR 2 -1.139 1.597 -4.224 12 HG21 THR 2 1HG2 THR 2 1.162 -0.210 -6.022 13 HG22 THR 2 2HG2 THR 2 -0.207 0.943 -6.054 14 HG23 THR 2 3HG2 THR 2 -0.471 -0.700 -5.396 15 H CYS 3 H CYS 3 1.227 -2.206 -1.258 16 HA CYS 3 HA CYS 3 -1.015 -3.810 -1.846 17 HB2 CYS 3 1HB CYS 3 -0.066 -3.512 0.971 18 HB3 CYS 3 2HB CYS 3 -0.441 -4.979 0.056 19 H CYS 4 H CYS 4 -0.801 -0.717 -0.065 20 HA CYS 4 HA CYS 4 -3.405 -1.125 1.265 21 HB2 CYS 4 1HB CYS 4 -1.713 0.123 2.487 22 HB3 CYS 4 2HB CYS 4 -1.377 1.171 1.111 23 H GLY 5 H GLY 5 -2.149 -0.015 -1.798 24 HA2 GLY 5 1HA GLY 5 -3.396 0.686 -3.643 25 HA3 GLY 5 2HA GLY 5 -4.817 0.682 -2.609 26 H TYR 6 H TYR 6 -1.709 2.366 -2.003 27 HA TYR 6 HA TYR 6 -3.006 4.941 -2.826 28 HB2 TYR 6 1HB TYR 6 -3.264 4.539 -0.271 29 HB3 TYR 6 2HB TYR 6 -1.505 4.751 -0.132 30 HD1 TYR 6 HD1 TYR 6 -0.449 7.041 -0.662 31 HD2 TYR 6 HD2 TYR 6 -4.718 6.423 -0.742 32 HE1 TYR 6 HE1 TYR 6 -0.865 9.488 -0.674 33 HE2 TYR 6 HE2 TYR 6 -5.101 8.901 -0.657 34 HH TYR 6 HH TYR 6 -4.239 10.863 -0.534 35 H ARG 7 H ARG 7 -0.162 3.757 -1.083 36 HA ARG 7 HA ARG 7 1.468 3.665 -3.493 37 HB2 ARG 7 1HB ARG 7 1.688 6.109 -3.018 38 HB3 ARG 7 2HB ARG 7 2.325 5.737 -1.410 39 HG2 ARG 7 1HG ARG 7 4.325 4.640 -2.489 40 HG3 ARG 7 2HG ARG 7 3.589 4.860 -4.085 41 HD2 ARG 7 1HD ARG 7 5.296 6.559 -3.765 42 HD3 ARG 7 2HD ARG 7 3.694 7.307 -3.850 43 HE ARG 7 HE ARG 7 5.384 6.970 -1.372 44 HH11 ARG 7 1HH1 ARG 7 5.025 8.465 0.229 45 HH12 ARG 7 2HH1 ARG 7 3.809 9.683 0.087 46 HH21 ARG 7 1HH2 ARG 7 2.718 8.634 -3.016 47 HH22 ARG 7 2HH2 ARG 7 2.488 9.757 -1.745 48 H MET 8 H MET 8 1.609 3.792 0.095 49 HA MET 8 HA MET 8 3.894 1.945 0.120 50 HB2 MET 8 1HB MET 8 2.178 3.054 2.401 51 HB3 MET 8 2HB MET 8 3.711 2.146 2.558 52 HG2 MET 8 1HG MET 8 4.831 3.995 1.274 53 HG3 MET 8 2HG MET 8 3.326 4.933 1.370 54 HE1 MET 8 1HE MET 8 1.997 4.801 3.992 55 HE2 MET 8 2HE MET 8 2.643 6.403 3.544 56 HE3 MET 8 3HE MET 8 2.975 5.718 5.156 57 H CYS 9 H CYS 9 3.672 0.050 1.668 58 HA CYS 9 HA CYS 9 1.455 -1.625 0.782 59 HB2 CYS 9 1HB CYS 9 4.007 -2.267 1.113 60 HB3 CYS 9 2HB CYS 9 3.567 -2.394 2.825 61 H VAL 10 H VAL 10 0.674 -3.147 2.668 62 HA VAL 10 HA VAL 10 -0.889 -1.487 4.368 63 HB VAL 10 HB VAL 10 -1.655 -3.732 5.353 64 HG11 VAL 10 1HG1 VAL 10 -2.824 -4.429 3.330 65 HG12 VAL 10 2HG1 VAL 10 -1.689 -3.517 2.321 66 HG13 VAL 10 3HG1 VAL 10 -2.774 -2.656 3.433 67 HG21 VAL 10 1HG2 VAL 10 0.165 -5.015 3.188 68 HG22 VAL 10 2HG2 VAL 10 -0.810 -5.837 4.420 69 HG23 VAL 10 3HG2 VAL 10 0.620 -4.930 4.909 70 HA PRO 11 HA PRO 11 -1.931 -2.137 7.214 71 HB2 PRO 11 1HB PRO 11 -0.767 0.399 8.380 72 HB3 PRO 11 2HB PRO 11 -1.990 -0.686 9.096 73 HG2 PRO 11 1HG PRO 11 0.542 -0.834 9.897 74 HG3 PRO 11 2HG PRO 11 -0.349 -2.346 9.533 75 HD2 PRO 11 1HD PRO 11 1.690 -0.867 7.855 76 HD3 PRO 11 2HD PRO 11 1.502 -2.640 8.099 77 H CYS 12 H CYS 12 -3.758 -0.986 6.848 78 HA CYS 12 HA CYS 12 -3.471 1.454 5.206 79 HB2 CYS 12 1HB CYS 12 -3.616 -0.712 3.819 80 HB3 CYS 12 2HB CYS 12 -5.278 -0.888 4.415 81 HN1 NH2 13 1H NH2 13 -5.863 2.454 7.582 82 HN2 NH2 13 2H NH2 13 -4.167 2.467 7.216 Start of MODEL 5 1 H1 SER 1 1H SER 1 3.659 -6.506 -6.535 2 H2 SER 1 2H SER 1 2.878 -5.931 -7.826 3 H3 SER 1 3H SER 1 3.089 -7.547 -7.622 4 HA SER 1 HA SER 1 0.856 -6.945 -7.138 5 HB2 SER 1 1HB SER 1 2.581 -7.723 -4.775 6 HB3 SER 1 2HB SER 1 0.825 -7.992 -4.829 7 HG SER 1 HG SER 1 1.808 -9.860 -5.537 8 H THR 2 H THR 2 -0.498 -5.313 -6.581 9 HA THR 2 HA THR 2 0.684 -2.999 -5.208 10 HB THR 2 HB THR 2 -2.218 -3.521 -6.030 11 HG1 THR 2 HG1 THR 2 -0.070 -3.387 -7.529 12 HG21 THR 2 1HG2 THR 2 -2.031 -1.630 -4.535 13 HG22 THR 2 2HG2 THR 2 -2.179 -0.973 -6.175 14 HG23 THR 2 3HG2 THR 2 -0.607 -1.027 -5.368 15 H CYS 3 H CYS 3 0.707 -2.811 -3.031 16 HA CYS 3 HA CYS 3 -0.668 -4.605 -1.276 17 HB2 CYS 3 1HB CYS 3 0.578 -1.849 -0.796 18 HB3 CYS 3 2HB CYS 3 0.054 -2.962 0.478 19 H CYS 4 H CYS 4 -1.096 -1.095 -1.907 20 HA CYS 4 HA CYS 4 -3.979 -1.273 -1.391 21 HB2 CYS 4 1HB CYS 4 -2.286 -0.920 0.818 22 HB3 CYS 4 2HB CYS 4 -2.680 0.735 0.317 23 H GLY 5 H GLY 5 -4.916 0.891 -1.782 24 HA2 GLY 5 1HA GLY 5 -3.467 2.391 -3.805 25 HA3 GLY 5 2HA GLY 5 -5.160 2.618 -3.323 26 H TYR 6 H TYR 6 -2.097 2.622 -1.448 27 HA TYR 6 HA TYR 6 -2.532 5.523 -0.760 28 HB2 TYR 6 1HB TYR 6 -1.812 3.196 1.060 29 HB3 TYR 6 2HB TYR 6 -1.744 4.888 1.543 30 HD1 TYR 6 HD1 TYR 6 -4.194 2.200 0.389 31 HD2 TYR 6 HD2 TYR 6 -3.638 5.953 2.457 32 HE1 TYR 6 HE1 TYR 6 -6.538 2.086 1.188 33 HE2 TYR 6 HE2 TYR 6 -5.972 5.854 3.182 34 HH TYR 6 HH TYR 6 -8.188 3.121 2.508 35 H ARG 7 H ARG 7 -0.844 3.457 -2.392 36 HA ARG 7 HA ARG 7 1.191 3.079 -3.148 37 HB2 ARG 7 1HB ARG 7 1.451 5.481 -3.394 38 HB3 ARG 7 2HB ARG 7 2.028 5.617 -1.716 39 HG2 ARG 7 1HG ARG 7 4.101 4.475 -2.257 40 HG3 ARG 7 2HG ARG 7 3.382 3.808 -3.722 41 HD2 ARG 7 1HD ARG 7 4.874 5.553 -4.440 42 HD3 ARG 7 2HD ARG 7 3.180 6.153 -4.603 43 HE ARG 7 HE ARG 7 4.314 6.768 -2.028 44 HH11 ARG 7 1HH1 ARG 7 4.938 8.804 -1.504 45 HH12 ARG 7 2HH1 ARG 7 5.153 10.014 -2.715 46 HH21 ARG 7 1HH2 ARG 7 4.358 7.948 -5.394 47 HH22 ARG 7 2HH2 ARG 7 4.790 9.553 -4.949 48 H MET 8 H MET 8 1.289 3.887 0.275 49 HA MET 8 HA MET 8 3.602 2.177 0.857 50 HB2 MET 8 1HB MET 8 1.451 3.354 2.667 51 HB3 MET 8 2HB MET 8 2.973 2.636 3.187 52 HG2 MET 8 1HG MET 8 4.276 4.366 2.175 53 HG3 MET 8 2HG MET 8 2.879 5.079 1.385 54 HE1 MET 8 1HE MET 8 0.539 5.142 3.646 55 HE2 MET 8 2HE MET 8 0.996 6.546 2.604 56 HE3 MET 8 3HE MET 8 0.915 6.720 4.391 57 H CYS 9 H CYS 9 3.615 0.296 1.973 58 HA CYS 9 HA CYS 9 1.083 -1.339 1.848 59 HB2 CYS 9 1HB CYS 9 4.013 -2.165 2.365 60 HB3 CYS 9 2HB CYS 9 2.647 -3.243 2.125 61 H VAL 10 H VAL 10 0.741 -2.581 3.864 62 HA VAL 10 HA VAL 10 0.096 -2.243 6.040 63 HB VAL 10 HB VAL 10 2.130 -2.937 7.561 64 HG11 VAL 10 1HG1 VAL 10 1.818 -5.265 6.713 65 HG12 VAL 10 2HG1 VAL 10 0.992 -4.600 5.279 66 HG13 VAL 10 3HG1 VAL 10 0.295 -4.376 6.894 67 HG21 VAL 10 1HG2 VAL 10 4.037 -3.852 6.439 68 HG22 VAL 10 2HG2 VAL 10 3.820 -2.255 5.738 69 HG23 VAL 10 3HG2 VAL 10 3.287 -3.682 4.844 70 HA PRO 11 HA PRO 11 -1.455 -1.069 7.546 71 HB2 PRO 11 1HB PRO 11 -1.847 1.845 7.028 72 HB3 PRO 11 2HB PRO 11 -2.640 0.784 8.218 73 HG2 PRO 11 1HG PRO 11 -0.820 2.436 9.004 74 HG3 PRO 11 2HG PRO 11 -0.675 0.721 9.565 75 HD2 PRO 11 1HD PRO 11 0.764 2.047 7.284 76 HD3 PRO 11 2HD PRO 11 1.441 1.045 8.620 77 H CYS 12 H CYS 12 -3.355 -1.133 6.356 78 HA CYS 12 HA CYS 12 -3.591 0.073 3.734 79 HB2 CYS 12 1HB CYS 12 -2.387 -2.056 3.208 80 HB3 CYS 12 2HB CYS 12 -3.622 -2.924 4.120 81 HN1 NH2 13 1H NH2 13 -6.996 0.024 4.598 82 HN2 NH2 13 2H NH2 13 -5.716 0.717 3.614 Start of MODEL 6 1 H1 SER 1 1H SER 1 2.969 -7.941 -6.640 2 H2 SER 1 2H SER 1 3.278 -7.121 -5.233 3 H3 SER 1 3H SER 1 3.289 -6.286 -6.669 4 HA SER 1 HA SER 1 0.960 -6.699 -7.022 5 HB2 SER 1 1HB SER 1 1.124 -8.096 -4.283 6 HB3 SER 1 2HB SER 1 -0.313 -7.814 -5.274 7 HG SER 1 HG SER 1 0.626 -9.921 -5.645 8 H THR 2 H THR 2 -0.261 -4.922 -6.502 9 HA THR 2 HA THR 2 0.706 -2.880 -4.802 10 HB THR 2 HB THR 2 -2.191 -3.308 -5.663 11 HG1 THR 2 HG1 THR 2 -1.603 -2.354 -7.571 12 HG21 THR 2 1HG2 THR 2 -0.475 -0.878 -5.006 13 HG22 THR 2 2HG2 THR 2 -2.005 -1.409 -4.296 14 HG23 THR 2 3HG2 THR 2 -1.978 -0.777 -5.971 15 H CYS 3 H CYS 3 0.246 -2.349 -2.652 16 HA CYS 3 HA CYS 3 -1.351 -4.449 -1.214 17 HB2 CYS 3 1HB CYS 3 -0.067 -2.435 0.461 18 HB3 CYS 3 2HB CYS 3 0.033 -4.184 0.480 19 H CYS 4 H CYS 4 -0.979 -0.900 -0.643 20 HA CYS 4 HA CYS 4 -3.678 -0.956 0.509 21 HB2 CYS 4 1HB CYS 4 -1.767 0.058 1.663 22 HB3 CYS 4 2HB CYS 4 -1.625 1.261 0.405 23 H GLY 5 H GLY 5 -2.093 -0.063 -2.431 24 HA2 GLY 5 1HA GLY 5 -3.001 0.917 -4.329 25 HA3 GLY 5 2HA GLY 5 -4.576 0.821 -3.571 26 H TYR 6 H TYR 6 -1.574 2.557 -2.396 27 HA TYR 6 HA TYR 6 -2.758 5.125 -3.251 28 HB2 TYR 6 1HB TYR 6 -3.679 4.496 -0.930 29 HB3 TYR 6 2HB TYR 6 -2.099 4.830 -0.282 30 HD1 TYR 6 HD1 TYR 6 -4.990 6.224 -2.276 31 HD2 TYR 6 HD2 TYR 6 -1.498 7.238 0.050 32 HE1 TYR 6 HE1 TYR 6 -5.582 8.592 -2.334 33 HE2 TYR 6 HE2 TYR 6 -2.137 9.673 -0.002 34 HH TYR 6 HH TYR 6 -5.092 10.575 -1.868 35 H ARG 7 H ARG 7 -0.462 4.185 -0.712 36 HA ARG 7 HA ARG 7 1.731 4.166 -2.597 37 HB2 ARG 7 1HB ARG 7 1.382 6.638 -2.138 38 HB3 ARG 7 2HB ARG 7 1.701 6.307 -0.408 39 HG2 ARG 7 1HG ARG 7 3.972 5.508 -1.112 40 HG3 ARG 7 2HG ARG 7 3.607 5.900 -2.799 41 HD2 ARG 7 1HD ARG 7 3.261 8.241 -2.119 42 HD3 ARG 7 2HD ARG 7 3.721 7.812 -0.484 43 HE ARG 7 HE ARG 7 5.943 7.627 -1.131 44 HH11 ARG 7 1HH1 ARG 7 7.648 8.023 -2.460 45 HH12 ARG 7 2HH1 ARG 7 7.384 8.418 -4.122 46 HH21 ARG 7 1HH2 ARG 7 4.003 8.238 -3.940 47 HH22 ARG 7 2HH2 ARG 7 5.374 8.537 -4.957 48 H MET 8 H MET 8 1.104 4.452 0.950 49 HA MET 8 HA MET 8 3.473 2.889 1.567 50 HB2 MET 8 1HB MET 8 2.741 2.942 3.829 51 HB3 MET 8 2HB MET 8 2.467 4.537 3.123 52 HG2 MET 8 1HG MET 8 0.067 3.960 2.854 53 HG3 MET 8 2HG MET 8 0.377 2.374 3.530 54 HE1 MET 8 1HE MET 8 0.291 6.257 4.309 55 HE2 MET 8 2HE MET 8 1.883 5.865 5.002 56 HE3 MET 8 3HE MET 8 0.515 6.246 6.075 57 H CYS 9 H CYS 9 3.570 0.719 2.344 58 HA CYS 9 HA CYS 9 1.383 -0.961 1.179 59 HB2 CYS 9 1HB CYS 9 4.016 -1.304 0.742 60 HB3 CYS 9 2HB CYS 9 3.951 -1.938 2.403 61 H VAL 10 H VAL 10 1.150 -3.046 2.743 62 HA VAL 10 HA VAL 10 -0.542 -2.364 4.764 63 HB VAL 10 HB VAL 10 1.225 -4.854 4.920 64 HG11 VAL 10 1HG1 VAL 10 -0.358 -4.495 6.771 65 HG12 VAL 10 2HG1 VAL 10 -0.826 -5.922 5.824 66 HG13 VAL 10 3HG1 VAL 10 -1.701 -4.352 5.629 67 HG21 VAL 10 1HG2 VAL 10 -0.385 -5.970 3.370 68 HG22 VAL 10 2HG2 VAL 10 0.626 -4.718 2.615 69 HG23 VAL 10 3HG2 VAL 10 -1.096 -4.343 3.036 70 HA PRO 11 HA PRO 11 -1.491 -2.280 7.270 71 HB2 PRO 11 1HB PRO 11 -0.648 0.392 8.338 72 HB3 PRO 11 2HB PRO 11 -1.821 -0.791 9.002 73 HG2 PRO 11 1HG PRO 11 0.590 -0.686 10.090 74 HG3 PRO 11 2HG PRO 11 -0.101 -2.264 9.671 75 HD2 PRO 11 1HD PRO 11 1.914 -0.593 8.133 76 HD3 PRO 11 2HD PRO 11 1.921 -2.359 8.526 77 H CYS 12 H CYS 12 -3.338 -1.089 6.758 78 HA CYS 12 HA CYS 12 -2.904 1.117 4.882 79 HB2 CYS 12 1HB CYS 12 -3.020 -0.973 3.534 80 HB3 CYS 12 2HB CYS 12 -4.579 -1.354 4.285 81 HN1 NH2 13 1H NH2 13 -5.607 2.711 6.360 82 HN2 NH2 13 2H NH2 13 -4.076 2.809 5.545 Start of MODEL 7 1 H1 SER 1 1H SER 1 2.846 -2.039 -7.741 2 H2 SER 1 2H SER 1 2.007 -1.701 -9.126 3 H3 SER 1 3H SER 1 1.633 -3.060 -8.245 4 HA SER 1 HA SER 1 1.108 -0.242 -7.582 5 HB2 SER 1 1HB SER 1 -0.612 -2.752 -7.343 6 HB3 SER 1 2HB SER 1 -1.173 -1.061 -7.285 7 HG SER 1 HG SER 1 -1.541 -1.840 -9.298 8 H THR 2 H THR 2 0.701 0.380 -5.463 9 HA THR 2 HA THR 2 2.150 -1.069 -3.420 10 HB THR 2 HB THR 2 1.310 0.704 -1.947 11 HG1 THR 2 HG1 THR 2 -0.475 1.054 -4.121 12 HG21 THR 2 1HG2 THR 2 2.134 2.633 -3.199 13 HG22 THR 2 2HG2 THR 2 1.809 1.863 -4.743 14 HG23 THR 2 3HG2 THR 2 3.102 1.238 -3.686 15 H CYS 3 H CYS 3 1.288 -2.226 -1.556 16 HA CYS 3 HA CYS 3 -0.937 -3.904 -2.009 17 HB2 CYS 3 1HB CYS 3 -0.094 -3.153 0.792 18 HB3 CYS 3 2HB CYS 3 -0.633 -4.738 0.185 19 H CYS 4 H CYS 4 -0.719 -0.853 -0.154 20 HA CYS 4 HA CYS 4 -3.472 -0.898 0.746 21 HB2 CYS 4 1HB CYS 4 -1.517 0.316 1.787 22 HB3 CYS 4 2HB CYS 4 -1.495 1.432 0.405 23 H GLY 5 H GLY 5 -2.161 -0.200 -2.313 24 HA2 GLY 5 1HA GLY 5 -3.185 0.535 -4.267 25 HA3 GLY 5 2HA GLY 5 -4.740 0.430 -3.415 26 H TYR 6 H TYR 6 -1.950 2.368 -2.387 27 HA TYR 6 HA TYR 6 -3.193 4.902 -3.320 28 HB2 TYR 6 1HB TYR 6 -4.435 4.618 -1.269 29 HB3 TYR 6 2HB TYR 6 -3.067 3.952 -0.410 30 HD1 TYR 6 HD1 TYR 6 -4.137 7.214 -2.032 31 HD2 TYR 6 HD2 TYR 6 -1.908 5.312 1.114 32 HE1 TYR 6 HE1 TYR 6 -3.540 9.420 -1.157 33 HE2 TYR 6 HE2 TYR 6 -1.242 7.552 1.975 34 HH TYR 6 HH TYR 6 -2.403 10.580 0.405 35 H ARG 7 H ARG 7 -1.153 3.855 -0.592 36 HA ARG 7 HA ARG 7 1.316 4.202 -2.081 37 HB2 ARG 7 1HB ARG 7 0.571 6.090 0.243 38 HB3 ARG 7 2HB ARG 7 2.226 5.772 -0.270 39 HG2 ARG 7 1HG ARG 7 1.511 6.703 -2.548 40 HG3 ARG 7 2HG ARG 7 -0.014 7.189 -1.771 41 HD2 ARG 7 1HD ARG 7 1.361 9.096 -1.688 42 HD3 ARG 7 2HD ARG 7 1.401 8.457 -0.051 43 HE ARG 7 HE ARG 7 3.529 7.315 -1.636 44 HH11 ARG 7 1HH1 ARG 7 5.690 7.988 -1.279 45 HH12 ARG 7 2HH1 ARG 7 6.040 9.461 -0.421 46 HH21 ARG 7 1HH2 ARG 7 2.729 10.299 0.087 47 HH22 ARG 7 2HH2 ARG 7 4.376 10.689 0.345 48 H MET 8 H MET 8 3.040 3.171 -0.899 49 HA MET 8 HA MET 8 3.971 1.686 0.457 50 HB2 MET 8 1HB MET 8 2.080 2.604 2.617 51 HB3 MET 8 2HB MET 8 3.672 1.874 2.863 52 HG2 MET 8 1HG MET 8 3.083 4.666 1.754 53 HG3 MET 8 2HG MET 8 3.927 4.273 3.270 54 HE1 MET 8 1HE MET 8 5.713 6.170 2.201 55 HE2 MET 8 2HE MET 8 4.943 6.204 0.586 56 HE3 MET 8 3HE MET 8 6.679 5.851 0.734 57 H CYS 9 H CYS 9 3.637 -0.104 2.186 58 HA CYS 9 HA CYS 9 1.329 -1.744 1.268 59 HB2 CYS 9 1HB CYS 9 3.814 -2.557 1.039 60 HB3 CYS 9 2HB CYS 9 3.764 -2.781 2.796 61 H VAL 10 H VAL 10 0.889 -3.453 3.249 62 HA VAL 10 HA VAL 10 -0.787 -1.958 4.952 63 HB VAL 10 HB VAL 10 0.354 -4.724 5.602 64 HG11 VAL 10 1HG1 VAL 10 -1.135 -3.843 7.378 65 HG12 VAL 10 2HG1 VAL 10 -1.935 -5.150 6.477 66 HG13 VAL 10 3HG1 VAL 10 -2.369 -3.461 6.141 67 HG21 VAL 10 1HG2 VAL 10 -0.290 -4.813 3.256 68 HG22 VAL 10 2HG2 VAL 10 -1.837 -3.942 3.617 69 HG23 VAL 10 3HG2 VAL 10 -1.560 -5.604 4.213 70 HA PRO 11 HA PRO 11 -1.664 -1.556 7.649 71 HB2 PRO 11 1HB PRO 11 -0.522 1.214 8.098 72 HB3 PRO 11 2HB PRO 11 -1.713 0.297 9.103 73 HG2 PRO 11 1HG PRO 11 0.763 0.461 9.899 74 HG3 PRO 11 2HG PRO 11 -0.037 -1.158 9.921 75 HD2 PRO 11 1HD PRO 11 1.893 -0.003 7.871 76 HD3 PRO 11 2HD PRO 11 1.962 -1.607 8.652 77 H CYS 12 H CYS 12 -3.441 -0.280 6.965 78 HA CYS 12 HA CYS 12 -2.989 1.608 4.767 79 HB2 CYS 12 1HB CYS 12 -3.199 -0.692 3.716 80 HB3 CYS 12 2HB CYS 12 -4.789 -0.830 4.457 81 HN1 NH2 13 1H NH2 13 -6.102 3.082 5.842 82 HN2 NH2 13 2H NH2 13 -4.671 3.221 4.887 Start of MODEL 8 1 H1 SER 1 1H SER 1 5.411 -2.108 -1.156 2 H2 SER 1 2H SER 1 5.877 -0.858 -2.164 3 H3 SER 1 3H SER 1 6.602 -2.319 -2.309 4 HA SER 1 HA SER 1 5.036 -1.934 -4.084 5 HB2 SER 1 1HB SER 1 4.444 -4.076 -2.060 6 HB3 SER 1 2HB SER 1 3.739 -4.081 -3.674 7 HG SER 1 HG SER 1 5.623 -5.281 -3.807 8 H THR 2 H THR 2 2.736 -1.602 -4.660 9 HA THR 2 HA THR 2 1.447 0.122 -2.659 10 HB THR 2 HB THR 2 0.606 -0.525 -5.493 11 HG1 THR 2 HG1 THR 2 2.013 0.910 -6.137 12 HG21 THR 2 1HG2 THR 2 -1.211 0.662 -4.560 13 HG22 THR 2 2HG2 THR 2 -0.220 2.010 -5.092 14 HG23 THR 2 3HG2 THR 2 -0.225 1.506 -3.407 15 H CYS 3 H CYS 3 1.046 -1.737 -1.266 16 HA CYS 3 HA CYS 3 -1.033 -3.627 -2.069 17 HB2 CYS 3 1HB CYS 3 -0.141 -3.156 0.795 18 HB3 CYS 3 2HB CYS 3 -0.617 -4.659 0.017 19 H CYS 4 H CYS 4 -0.862 -0.641 -0.145 20 HA CYS 4 HA CYS 4 -3.522 -0.963 0.961 21 HB2 CYS 4 1HB CYS 4 -1.736 0.203 2.176 22 HB3 CYS 4 2HB CYS 4 -1.627 1.384 0.883 23 H GLY 5 H GLY 5 -2.450 -0.157 -2.084 24 HA2 GLY 5 1HA GLY 5 -3.508 0.675 -3.898 25 HA3 GLY 5 2HA GLY 5 -4.967 0.886 -2.914 26 H TYR 6 H TYR 6 -1.831 2.357 -2.256 27 HA TYR 6 HA TYR 6 -2.801 4.937 -3.329 28 HB2 TYR 6 1HB TYR 6 -3.392 5.035 -0.936 29 HB3 TYR 6 2HB TYR 6 -1.835 4.387 -0.504 30 HD1 TYR 6 HD1 TYR 6 -0.295 5.999 0.297 31 HD2 TYR 6 HD2 TYR 6 -3.227 7.238 -2.567 32 HE1 TYR 6 HE1 TYR 6 0.614 8.294 0.439 33 HE2 TYR 6 HE2 TYR 6 -2.340 9.628 -2.413 34 HH TYR 6 HH TYR 6 0.285 10.500 -0.207 35 H ARG 7 H ARG 7 -0.118 4.032 -1.239 36 HA ARG 7 HA ARG 7 1.563 3.288 -3.467 37 HB2 ARG 7 1HB ARG 7 3.210 4.906 -3.413 38 HB3 ARG 7 2HB ARG 7 1.729 5.851 -3.229 39 HG2 ARG 7 1HG ARG 7 2.175 5.881 -0.756 40 HG3 ARG 7 2HG ARG 7 3.759 5.115 -1.076 41 HD2 ARG 7 1HD ARG 7 4.164 6.999 -2.740 42 HD3 ARG 7 2HD ARG 7 2.751 7.810 -1.992 43 HE ARG 7 HE ARG 7 4.543 6.955 0.047 44 HH11 ARG 7 1HH1 ARG 7 5.822 8.396 1.110 45 HH12 ARG 7 2HH1 ARG 7 6.245 9.918 0.382 46 HH21 ARG 7 1HH2 ARG 7 4.405 9.379 -2.519 47 HH22 ARG 7 2HH2 ARG 7 5.454 10.419 -1.664 48 H MET 8 H MET 8 1.113 3.739 -0.032 49 HA MET 8 HA MET 8 3.392 2.233 0.834 50 HB2 MET 8 1HB MET 8 0.760 2.932 2.228 51 HB3 MET 8 2HB MET 8 2.229 2.316 3.022 52 HG2 MET 8 1HG MET 8 3.514 4.342 2.337 53 HG3 MET 8 2HG MET 8 2.071 5.029 1.548 54 HE1 MET 8 1HE MET 8 0.020 6.047 2.845 55 HE2 MET 8 2HE MET 8 -0.265 5.763 4.587 56 HE3 MET 8 3HE MET 8 -0.295 4.412 3.456 57 H CYS 9 H CYS 9 3.217 0.242 2.120 58 HA CYS 9 HA CYS 9 1.183 -1.673 1.025 59 HB2 CYS 9 1HB CYS 9 3.826 -2.132 0.958 60 HB3 CYS 9 2HB CYS 9 3.593 -2.367 2.705 61 H VAL 10 H VAL 10 0.836 -3.418 2.962 62 HA VAL 10 HA VAL 10 -0.791 -2.146 4.892 63 HB VAL 10 HB VAL 10 -0.945 -4.588 4.273 64 HG11 VAL 10 1HG1 VAL 10 1.527 -5.058 6.031 65 HG12 VAL 10 2HG1 VAL 10 1.556 -5.024 4.240 66 HG13 VAL 10 3HG1 VAL 10 0.621 -6.265 5.085 67 HG21 VAL 10 1HG2 VAL 10 -1.970 -3.799 6.375 68 HG22 VAL 10 2HG2 VAL 10 -0.498 -4.292 7.265 69 HG23 VAL 10 3HG2 VAL 10 -1.509 -5.494 6.412 70 HA PRO 11 HA PRO 11 -1.434 -1.965 7.648 71 HB2 PRO 11 1HB PRO 11 -0.367 0.797 8.238 72 HB3 PRO 11 2HB PRO 11 -1.427 -0.232 9.195 73 HG2 PRO 11 1HG PRO 11 1.079 -0.031 9.905 74 HG3 PRO 11 2HG PRO 11 0.302 -1.644 9.801 75 HD2 PRO 11 1HD PRO 11 2.071 -0.292 7.784 76 HD3 PRO 11 2HD PRO 11 2.149 -2.010 8.380 77 H CYS 12 H CYS 12 -3.319 -0.920 7.123 78 HA CYS 12 HA CYS 12 -3.132 1.242 5.110 79 HB2 CYS 12 1HB CYS 12 -3.286 -0.955 3.858 80 HB3 CYS 12 2HB CYS 12 -4.891 -1.204 4.636 81 HN1 NH2 13 1H NH2 13 -6.028 2.656 6.484 82 HN2 NH2 13 2H NH2 13 -4.623 2.813 5.449 Start of MODEL 9 1 H1 SER 1 1H SER 1 5.166 -5.016 -5.240 2 H2 SER 1 2H SER 1 4.971 -6.432 -6.115 3 H3 SER 1 3H SER 1 4.333 -6.234 -4.559 4 HA SER 1 HA SER 1 3.452 -4.794 -7.011 5 HB2 SER 1 1HB SER 1 1.933 -6.773 -5.323 6 HB3 SER 1 2HB SER 1 1.524 -6.154 -6.931 7 HG SER 1 HG SER 1 2.501 -8.286 -6.934 8 H THR 2 H THR 2 1.527 -3.434 -6.639 9 HA THR 2 HA THR 2 1.591 -1.898 -4.266 10 HB THR 2 HB THR 2 -0.650 -2.335 -6.327 11 HG1 THR 2 HG1 THR 2 0.404 -0.266 -7.130 12 HG21 THR 2 1HG2 THR 2 -1.288 0.001 -5.693 13 HG22 THR 2 2HG2 THR 2 -0.019 -0.027 -4.414 14 HG23 THR 2 3HG2 THR 2 -1.419 -1.146 -4.312 15 H CYS 3 H CYS 3 0.790 -2.490 -2.274 16 HA CYS 3 HA CYS 3 -0.805 -4.981 -2.087 17 HB2 CYS 3 1HB CYS 3 -0.004 -3.104 0.161 18 HB3 CYS 3 2HB CYS 3 -0.271 -4.870 0.234 19 H CYS 4 H CYS 4 -1.070 -1.485 -1.408 20 HA CYS 4 HA CYS 4 -4.065 -1.758 -1.307 21 HB2 CYS 4 1HB CYS 4 -2.146 -0.512 0.693 22 HB3 CYS 4 2HB CYS 4 -3.851 -0.054 0.627 23 H GLY 5 H GLY 5 -5.063 0.187 -2.079 24 HA2 GLY 5 1HA GLY 5 -3.398 1.986 -3.716 25 HA3 GLY 5 2HA GLY 5 -5.177 2.009 -3.576 26 H TYR 6 H TYR 6 -2.094 2.879 -1.985 27 HA TYR 6 HA TYR 6 -3.479 5.223 -0.772 28 HB2 TYR 6 1HB TYR 6 -3.792 3.699 1.035 29 HB3 TYR 6 2HB TYR 6 -2.222 2.917 0.848 30 HD1 TYR 6 HD1 TYR 6 -0.984 3.234 2.750 31 HD2 TYR 6 HD2 TYR 6 -3.267 6.559 1.261 32 HE1 TYR 6 HE1 TYR 6 -0.017 4.691 4.502 33 HE2 TYR 6 HE2 TYR 6 -2.326 7.992 3.126 34 HH TYR 6 HH TYR 6 -1.031 8.064 5.042 35 H ARG 7 H ARG 7 -0.523 3.333 -0.236 36 HA ARG 7 HA ARG 7 1.274 4.322 -2.059 37 HB2 ARG 7 1HB ARG 7 2.618 6.005 -0.682 38 HB3 ARG 7 2HB ARG 7 1.209 6.621 -1.521 39 HG2 ARG 7 1HG ARG 7 -0.042 6.744 0.612 40 HG3 ARG 7 2HG ARG 7 1.256 5.921 1.446 41 HD2 ARG 7 1HD ARG 7 1.431 8.304 1.822 42 HD3 ARG 7 2HD ARG 7 2.830 7.744 0.889 43 HE ARG 7 HE ARG 7 0.796 8.513 -0.955 44 HH11 ARG 7 1HH1 ARG 7 0.848 10.501 -1.992 45 HH12 ARG 7 2HH1 ARG 7 1.786 11.833 -1.301 46 HH21 ARG 7 1HH2 ARG 7 2.972 10.082 1.388 47 HH22 ARG 7 2HH2 ARG 7 2.920 11.592 0.522 48 H MET 8 H MET 8 0.784 3.674 1.328 49 HA MET 8 HA MET 8 3.386 2.288 1.607 50 HB2 MET 8 1HB MET 8 1.060 2.732 3.477 51 HB3 MET 8 2HB MET 8 2.576 1.987 3.972 52 HG2 MET 8 1HG MET 8 2.291 4.836 2.977 53 HG3 MET 8 2HG MET 8 2.427 4.346 4.680 54 HE1 MET 8 1HE MET 8 4.194 6.111 2.285 55 HE2 MET 8 2HE MET 8 4.467 4.727 1.202 56 HE3 MET 8 3HE MET 8 5.821 5.440 2.071 57 H CYS 9 H CYS 9 3.435 0.086 2.528 58 HA CYS 9 HA CYS 9 1.161 -1.603 1.490 59 HB2 CYS 9 1HB CYS 9 3.241 -1.956 0.164 60 HB3 CYS 9 2HB CYS 9 4.132 -2.198 1.689 61 H VAL 10 H VAL 10 0.069 -1.483 3.467 62 HA VAL 10 HA VAL 10 -0.554 -2.241 5.471 63 HB VAL 10 HB VAL 10 1.741 -4.244 5.395 64 HG11 VAL 10 1HG1 VAL 10 -0.905 -4.342 6.890 65 HG12 VAL 10 2HG1 VAL 10 0.636 -3.865 7.588 66 HG13 VAL 10 3HG1 VAL 10 0.454 -5.495 6.972 67 HG21 VAL 10 1HG2 VAL 10 0.482 -4.502 3.392 68 HG22 VAL 10 2HG2 VAL 10 -1.069 -4.306 4.232 69 HG23 VAL 10 3HG2 VAL 10 -0.088 -5.763 4.488 70 HA PRO 11 HA PRO 11 -1.320 -0.341 7.403 71 HB2 PRO 11 1HB PRO 11 0.135 2.249 6.794 72 HB3 PRO 11 2HB PRO 11 -1.201 1.878 7.912 73 HG2 PRO 11 1HG PRO 11 1.195 2.039 8.905 74 HG3 PRO 11 2HG PRO 11 0.172 0.638 9.369 75 HD2 PRO 11 1HD PRO 11 2.355 0.775 7.255 76 HD3 PRO 11 2HD PRO 11 2.094 -0.450 8.520 77 H CYS 12 H CYS 12 -3.053 0.499 6.268 78 HA CYS 12 HA CYS 12 -2.537 1.197 3.457 79 HB2 CYS 12 1HB CYS 12 -4.712 -0.607 4.617 80 HB3 CYS 12 2HB CYS 12 -4.658 -0.049 2.943 81 HN1 NH2 13 1H NH2 13 -5.446 3.442 3.672 82 HN2 NH2 13 2H NH2 13 -4.740 2.347 2.568 Start of MODEL 10 1 H1 SER 1 1H SER 1 6.699 -1.343 -5.189 2 H2 SER 1 2H SER 1 5.972 -1.835 -6.564 3 H3 SER 1 3H SER 1 7.193 -2.741 -5.920 4 HA SER 1 HA SER 1 5.031 -3.699 -5.486 5 HB2 SER 1 1HB SER 1 6.965 -4.084 -3.975 6 HB3 SER 1 2HB SER 1 6.516 -2.611 -3.096 7 HG SER 1 HG SER 1 5.244 -5.114 -3.122 8 H THR 2 H THR 2 2.944 -3.465 -4.746 9 HA THR 2 HA THR 2 2.151 -0.912 -3.437 10 HB THR 2 HB THR 2 0.638 -2.026 -5.850 11 HG1 THR 2 HG1 THR 2 2.112 -1.200 -7.028 12 HG21 THR 2 1HG2 THR 2 -0.269 0.310 -5.908 13 HG22 THR 2 2HG2 THR 2 0.609 0.641 -4.408 14 HG23 THR 2 3HG2 THR 2 -0.694 -0.595 -4.401 15 H CYS 3 H CYS 3 0.787 -1.417 -1.807 16 HA CYS 3 HA CYS 3 -0.836 -3.895 -1.962 17 HB2 CYS 3 1HB CYS 3 0.026 -2.868 0.706 18 HB3 CYS 3 2HB CYS 3 -0.235 -4.515 0.197 19 H CYS 4 H CYS 4 -0.608 -0.651 -0.289 20 HA CYS 4 HA CYS 4 -3.511 -0.863 0.301 21 HB2 CYS 4 1HB CYS 4 -1.788 0.063 1.926 22 HB3 CYS 4 2HB CYS 4 -1.567 1.453 0.823 23 H GLY 5 H GLY 5 -4.732 1.262 -0.240 24 HA2 GLY 5 1HA GLY 5 -4.762 1.306 -3.124 25 HA3 GLY 5 2HA GLY 5 -5.851 2.164 -2.047 26 H TYR 6 H TYR 6 -2.265 2.599 -2.270 27 HA TYR 6 HA TYR 6 -2.639 5.086 -3.808 28 HB2 TYR 6 1HB TYR 6 -3.075 5.814 -1.527 29 HB3 TYR 6 2HB TYR 6 -1.568 5.122 -0.969 30 HD1 TYR 6 HD1 TYR 6 -2.998 7.826 -3.142 31 HD2 TYR 6 HD2 TYR 6 0.575 6.290 -1.381 32 HE1 TYR 6 HE1 TYR 6 -1.842 9.830 -3.835 33 HE2 TYR 6 HE2 TYR 6 1.782 8.411 -2.034 34 HH TYR 6 HH TYR 6 1.540 10.497 -3.155 35 H ARG 7 H ARG 7 -0.206 3.758 -1.507 36 HA ARG 7 HA ARG 7 1.193 2.399 -3.598 37 HB2 ARG 7 1HB ARG 7 1.918 4.691 -4.044 38 HB3 ARG 7 2HB ARG 7 2.531 4.853 -2.420 39 HG2 ARG 7 1HG ARG 7 4.402 4.327 -4.014 40 HG3 ARG 7 2HG ARG 7 4.221 3.001 -2.881 41 HD2 ARG 7 1HD ARG 7 3.024 1.697 -4.554 42 HD3 ARG 7 2HD ARG 7 3.044 3.069 -5.648 43 HE ARG 7 HE ARG 7 5.289 1.316 -4.821 44 HH11 ARG 7 1HH1 ARG 7 7.259 1.492 -5.992 45 HH12 ARG 7 2HH1 ARG 7 7.443 2.784 -7.145 46 HH21 ARG 7 1HH2 ARG 7 4.385 4.218 -6.662 47 HH22 ARG 7 2HH2 ARG 7 5.898 4.273 -7.483 48 H MET 8 H MET 8 1.500 3.730 -0.309 49 HA MET 8 HA MET 8 3.582 2.042 0.553 50 HB2 MET 8 1HB MET 8 2.902 2.633 2.783 51 HB3 MET 8 2HB MET 8 2.710 4.019 1.748 52 HG2 MET 8 1HG MET 8 0.402 2.149 2.523 53 HG3 MET 8 2HG MET 8 0.832 3.562 3.515 54 HE1 MET 8 1HE MET 8 0.106 6.001 2.867 55 HE2 MET 8 2HE MET 8 -0.663 6.515 1.337 56 HE3 MET 8 3HE MET 8 1.079 6.110 1.392 57 H CYS 9 H CYS 9 3.418 0.283 2.154 58 HA CYS 9 HA CYS 9 1.371 -1.672 1.422 59 HB2 CYS 9 1HB CYS 9 3.950 -1.972 1.353 60 HB3 CYS 9 2HB CYS 9 3.782 -2.347 3.064 61 H VAL 10 H VAL 10 1.077 -3.329 3.351 62 HA VAL 10 HA VAL 10 -0.749 -2.169 5.126 63 HB VAL 10 HB VAL 10 0.871 -4.743 5.459 64 HG11 VAL 10 1HG1 VAL 10 -0.243 -4.269 7.551 65 HG12 VAL 10 2HG1 VAL 10 -1.068 -5.615 6.765 66 HG13 VAL 10 3HG1 VAL 10 -1.777 -3.982 6.745 67 HG21 VAL 10 1HG2 VAL 10 -1.071 -5.910 4.404 68 HG22 VAL 10 2HG2 VAL 10 -0.330 -4.732 3.297 69 HG23 VAL 10 3HG2 VAL 10 -1.869 -4.328 4.113 70 HA PRO 11 HA PRO 11 -1.633 -1.993 7.658 71 HB2 PRO 11 1HB PRO 11 -0.938 0.821 8.453 72 HB3 PRO 11 2HB PRO 11 -1.993 -0.370 9.291 73 HG2 PRO 11 1HG PRO 11 0.420 0.120 10.210 74 HG3 PRO 11 2HG PRO 11 -0.122 -1.612 10.029 75 HD2 PRO 11 1HD PRO 11 1.642 -0.015 8.135 76 HD3 PRO 11 2HD PRO 11 1.928 -1.675 8.836 77 H CYS 12 H CYS 12 -3.479 -1.108 6.883 78 HA CYS 12 HA CYS 12 -3.331 1.118 4.960 79 HB2 CYS 12 1HB CYS 12 -3.001 -1.007 3.706 80 HB3 CYS 12 2HB CYS 12 -4.539 -1.578 4.376 81 HN1 NH2 13 1H NH2 13 -6.602 2.070 5.862 82 HN2 NH2 13 2H NH2 13 -5.252 2.367 4.830 Start of MODEL 11 1 H1 SER 1 1H SER 1 5.604 -1.302 -1.402 2 H2 SER 1 2H SER 1 5.502 -0.086 -2.419 3 H3 SER 1 3H SER 1 6.472 -1.300 -2.755 4 HA SER 1 HA SER 1 4.590 -1.547 -4.121 5 HB2 SER 1 1HB SER 1 4.470 -3.377 -1.698 6 HB3 SER 1 2HB SER 1 3.701 -3.758 -3.259 7 HG SER 1 HG SER 1 5.603 -4.379 -3.966 8 H THR 2 H THR 2 2.511 -0.980 -4.519 9 HA THR 2 HA THR 2 1.160 0.453 -2.429 10 HB THR 2 HB THR 2 1.308 1.379 -4.656 11 HG1 THR 2 HG1 THR 2 -1.219 1.375 -4.996 12 HG21 THR 2 1HG2 THR 2 1.389 -0.678 -6.022 13 HG22 THR 2 2HG2 THR 2 0.091 0.435 -6.595 14 HG23 THR 2 3HG2 THR 2 -0.321 -1.039 -5.623 15 H CYS 3 H CYS 3 1.108 -1.819 -1.229 16 HA CYS 3 HA CYS 3 -1.062 -3.587 -1.932 17 HB2 CYS 3 1HB CYS 3 -0.042 -3.278 0.878 18 HB3 CYS 3 2HB CYS 3 -0.566 -4.717 0.033 19 H CYS 4 H CYS 4 -0.803 -0.585 -0.182 20 HA CYS 4 HA CYS 4 -3.457 -0.813 1.037 21 HB2 CYS 4 1HB CYS 4 -1.572 0.461 2.089 22 HB3 CYS 4 2HB CYS 4 -1.615 1.581 0.745 23 H GLY 5 H GLY 5 -2.343 -0.083 -2.153 24 HA2 GLY 5 1HA GLY 5 -3.629 0.624 -3.914 25 HA3 GLY 5 2HA GLY 5 -4.971 0.907 -2.827 26 H TYR 6 H TYR 6 -1.771 2.410 -2.474 27 HA TYR 6 HA TYR 6 -2.705 4.879 -3.743 28 HB2 TYR 6 1HB TYR 6 -3.530 5.162 -1.459 29 HB3 TYR 6 2HB TYR 6 -1.974 4.700 -0.789 30 HD1 TYR 6 HD1 TYR 6 -3.945 7.362 -2.426 31 HD2 TYR 6 HD2 TYR 6 -0.040 6.309 -0.857 32 HE1 TYR 6 HE1 TYR 6 -3.241 9.779 -2.474 33 HE2 TYR 6 HE2 TYR 6 0.585 8.730 -0.855 34 HH TYR 6 HH TYR 6 -1.727 11.259 -1.945 35 H ARG 7 H ARG 7 -0.247 3.907 -1.404 36 HA ARG 7 HA ARG 7 1.637 3.323 -3.516 37 HB2 ARG 7 1HB ARG 7 1.654 5.850 -3.116 38 HB3 ARG 7 2HB ARG 7 2.343 5.521 -1.537 39 HG2 ARG 7 1HG ARG 7 4.238 4.401 -2.528 40 HG3 ARG 7 2HG ARG 7 3.588 4.588 -4.184 41 HD2 ARG 7 1HD ARG 7 3.766 7.068 -4.000 42 HD3 ARG 7 2HD ARG 7 4.476 6.857 -2.363 43 HE ARG 7 HE ARG 7 5.931 5.286 -4.206 44 HH11 ARG 7 1HH1 ARG 7 7.897 5.956 -5.033 45 HH12 ARG 7 2HH1 ARG 7 8.378 7.597 -5.000 46 HH21 ARG 7 1HH2 ARG 7 5.466 8.708 -3.554 47 HH22 ARG 7 2HH2 ARG 7 6.999 9.156 -4.183 48 H MET 8 H MET 8 1.170 3.786 -0.025 49 HA MET 8 HA MET 8 3.387 2.217 0.798 50 HB2 MET 8 1HB MET 8 0.863 2.776 2.418 51 HB3 MET 8 2HB MET 8 2.503 2.460 3.012 52 HG2 MET 8 1HG MET 8 2.377 4.781 3.291 53 HG3 MET 8 2HG MET 8 3.070 4.685 1.656 54 HE1 MET 8 1HE MET 8 0.067 5.591 3.940 55 HE2 MET 8 2HE MET 8 -0.810 4.317 3.072 56 HE3 MET 8 3HE MET 8 -1.249 6.012 2.817 57 H CYS 9 H CYS 9 3.209 0.296 2.126 58 HA CYS 9 HA CYS 9 1.178 -1.613 1.039 59 HB2 CYS 9 1HB CYS 9 3.673 -2.083 0.785 60 HB3 CYS 9 2HB CYS 9 3.734 -2.267 2.555 61 H VAL 10 H VAL 10 0.692 -3.407 2.837 62 HA VAL 10 HA VAL 10 -0.812 -2.257 4.878 63 HB VAL 10 HB VAL 10 0.597 -4.965 4.846 64 HG11 VAL 10 1HG1 VAL 10 -0.219 -4.548 7.077 65 HG12 VAL 10 2HG1 VAL 10 -1.236 -5.744 6.316 66 HG13 VAL 10 3HG1 VAL 10 -1.805 -4.067 6.441 67 HG21 VAL 10 1HG2 VAL 10 -1.808 -5.685 4.036 68 HG22 VAL 10 2HG2 VAL 10 -0.684 -4.949 2.900 69 HG23 VAL 10 3HG2 VAL 10 -1.991 -3.966 3.613 70 HA PRO 11 HA PRO 11 -1.422 -2.148 7.607 71 HB2 PRO 11 1HB PRO 11 -0.458 0.602 8.312 72 HB3 PRO 11 2HB PRO 11 -1.447 -0.509 9.259 73 HG2 PRO 11 1HG PRO 11 1.098 -0.175 9.795 74 HG3 PRO 11 2HG PRO 11 0.383 -1.809 9.790 75 HD2 PRO 11 1HD PRO 11 2.115 -0.490 7.723 76 HD3 PRO 11 2HD PRO 11 2.142 -2.170 8.339 77 H CYS 12 H CYS 12 -3.309 -1.064 7.035 78 HA CYS 12 HA CYS 12 -3.083 1.231 5.228 79 HB2 CYS 12 1HB CYS 12 -3.201 -0.878 3.893 80 HB3 CYS 12 2HB CYS 12 -4.764 -1.211 4.592 81 HN1 NH2 13 1H NH2 13 -5.412 2.365 7.594 82 HN2 NH2 13 2H NH2 13 -3.775 2.476 7.000 Start of MODEL 12 1 H1 SER 1 1H SER 1 5.040 -2.859 -6.707 2 H2 SER 1 2H SER 1 3.776 -2.520 -7.699 3 H3 SER 1 3H SER 1 4.673 -3.898 -7.941 4 HA SER 1 HA SER 1 2.469 -4.284 -6.877 5 HB2 SER 1 1HB SER 1 4.936 -5.044 -5.215 6 HB3 SER 1 2HB SER 1 3.390 -5.948 -5.385 7 HG SER 1 HG SER 1 4.484 -6.889 -6.959 8 H THR 2 H THR 2 1.075 -3.853 -5.113 9 HA THR 2 HA THR 2 2.182 -2.425 -2.801 10 HB THR 2 HB THR 2 1.749 -0.474 -4.317 11 HG1 THR 2 HG1 THR 2 1.385 0.065 -2.296 12 HG21 THR 2 1HG2 THR 2 -0.032 -1.462 -5.761 13 HG22 THR 2 2HG2 THR 2 -0.550 0.083 -5.030 14 HG23 THR 2 3HG2 THR 2 -1.165 -1.446 -4.345 15 H CYS 3 H CYS 3 0.729 -2.305 -1.120 16 HA CYS 3 HA CYS 3 -1.244 -4.425 -0.969 17 HB2 CYS 3 1HB CYS 3 -0.419 -2.312 1.085 18 HB3 CYS 3 2HB CYS 3 -1.361 -3.789 1.366 19 H CYS 4 H CYS 4 -1.172 -0.822 -0.875 20 HA CYS 4 HA CYS 4 -4.119 -0.886 -0.989 21 HB2 CYS 4 1HB CYS 4 -2.453 0.084 1.147 22 HB3 CYS 4 2HB CYS 4 -3.305 1.450 0.408 23 H GLY 5 H GLY 5 -5.066 1.188 -1.669 24 HA2 GLY 5 1HA GLY 5 -3.717 2.098 -4.091 25 HA3 GLY 5 2HA GLY 5 -5.323 2.608 -3.475 26 H TYR 6 H TYR 6 -2.144 2.788 -1.887 27 HA TYR 6 HA TYR 6 -2.036 5.706 -2.379 28 HB2 TYR 6 1HB TYR 6 -3.239 5.112 -0.144 29 HB3 TYR 6 2HB TYR 6 -1.636 4.653 0.448 30 HD1 TYR 6 HD1 TYR 6 -0.109 6.349 1.250 31 HD2 TYR 6 HD2 TYR 6 -3.631 7.500 -0.996 32 HE1 TYR 6 HE1 TYR 6 0.282 8.816 1.817 33 HE2 TYR 6 HE2 TYR 6 -3.134 9.922 -0.537 34 HH TYR 6 HH TYR 6 -0.444 10.946 1.532 35 H ARG 7 H ARG 7 -0.826 2.936 -2.908 36 HA ARG 7 HA ARG 7 1.126 2.093 -3.520 37 HB2 ARG 7 1HB ARG 7 2.290 4.844 -3.009 38 HB3 ARG 7 2HB ARG 7 3.135 3.505 -3.787 39 HG2 ARG 7 1HG ARG 7 1.353 3.420 -5.501 40 HG3 ARG 7 2HG ARG 7 0.620 4.844 -4.746 41 HD2 ARG 7 1HD ARG 7 2.691 6.114 -5.097 42 HD3 ARG 7 2HD ARG 7 3.382 4.718 -5.936 43 HE ARG 7 HE ARG 7 2.042 5.133 -7.791 44 HH11 ARG 7 1HH1 ARG 7 0.742 6.323 -9.108 45 HH12 ARG 7 2HH1 ARG 7 -0.283 7.565 -8.498 46 HH21 ARG 7 1HH2 ARG 7 0.861 7.195 -5.197 47 HH22 ARG 7 2HH2 ARG 7 -0.155 8.093 -6.282 48 H MET 8 H MET 8 1.470 3.856 -0.401 49 HA MET 8 HA MET 8 3.655 2.128 0.474 50 HB2 MET 8 1HB MET 8 1.681 3.855 2.046 51 HB3 MET 8 2HB MET 8 3.063 2.987 2.775 52 HG2 MET 8 1HG MET 8 4.268 4.827 2.459 53 HG3 MET 8 2HG MET 8 4.298 4.389 0.764 54 HE1 MET 8 1HE MET 8 4.702 6.746 -0.174 55 HE2 MET 8 2HE MET 8 3.277 7.650 -0.693 56 HE3 MET 8 3HE MET 8 3.461 5.917 -1.121 57 H CYS 9 H CYS 9 3.649 0.356 1.699 58 HA CYS 9 HA CYS 9 1.127 -1.206 1.778 59 HB2 CYS 9 1HB CYS 9 4.047 -1.736 1.474 60 HB3 CYS 9 2HB CYS 9 3.243 -2.822 2.597 61 H VAL 10 H VAL 10 1.027 -2.666 3.649 62 HA VAL 10 HA VAL 10 0.273 -2.627 5.859 63 HB VAL 10 HB VAL 10 2.203 -3.483 7.278 64 HG11 VAL 10 1HG1 VAL 10 1.641 -4.852 4.590 65 HG12 VAL 10 2HG1 VAL 10 0.548 -4.860 5.993 66 HG13 VAL 10 3HG1 VAL 10 2.158 -5.625 6.099 67 HG21 VAL 10 1HG2 VAL 10 4.292 -3.989 6.283 68 HG22 VAL 10 2HG2 VAL 10 4.021 -2.321 5.792 69 HG23 VAL 10 3HG2 VAL 10 3.751 -3.640 4.627 70 HA PRO 11 HA PRO 11 -1.316 -1.911 7.456 71 HB2 PRO 11 1HB PRO 11 -1.989 0.984 7.558 72 HB3 PRO 11 2HB PRO 11 -2.608 -0.354 8.599 73 HG2 PRO 11 1HG PRO 11 -0.882 1.261 9.587 74 HG3 PRO 11 2HG PRO 11 -0.597 -0.479 9.778 75 HD2 PRO 11 1HD PRO 11 0.629 1.446 7.749 76 HD3 PRO 11 2HD PRO 11 1.415 0.264 8.884 77 H CYS 12 H CYS 12 -3.333 -1.885 6.347 78 HA CYS 12 HA CYS 12 -3.761 -0.100 4.126 79 HB2 CYS 12 1HB CYS 12 -2.514 -1.925 3.030 80 HB3 CYS 12 2HB CYS 12 -3.568 -3.097 3.802 81 HN1 NH2 13 1H NH2 13 -7.211 -0.798 4.834 82 HN2 NH2 13 2H NH2 13 -6.115 -0.037 3.720 Start of MODEL 13 1 H1 SER 1 1H SER 1 -1.357 -3.249 -7.323 2 H2 SER 1 2H SER 1 -0.931 -3.434 -8.893 3 H3 SER 1 3H SER 1 -0.522 -2.054 -8.053 4 HA SER 1 HA SER 1 0.502 -4.784 -7.638 5 HB2 SER 1 1HB SER 1 1.580 -3.555 -9.517 6 HB3 SER 1 2HB SER 1 1.872 -2.181 -8.428 7 HG SER 1 HG SER 1 3.673 -3.564 -8.679 8 H THR 2 H THR 2 0.527 -1.336 -6.433 9 HA THR 2 HA THR 2 2.042 -1.921 -4.060 10 HB THR 2 HB THR 2 1.020 0.274 -3.175 11 HG1 THR 2 HG1 THR 2 -0.946 0.367 -4.177 12 HG21 THR 2 1HG2 THR 2 2.145 1.716 -4.889 13 HG22 THR 2 2HG2 THR 2 2.014 0.444 -6.099 14 HG23 THR 2 3HG2 THR 2 3.087 0.228 -4.726 15 H CYS 3 H CYS 3 1.191 -2.182 -1.910 16 HA CYS 3 HA CYS 3 -0.795 -4.183 -1.840 17 HB2 CYS 3 1HB CYS 3 0.105 -2.510 0.502 18 HB3 CYS 3 2HB CYS 3 -0.524 -4.162 0.563 19 H CYS 4 H CYS 4 -0.806 -0.717 -1.021 20 HA CYS 4 HA CYS 4 -3.795 -0.840 -0.601 21 HB2 CYS 4 1HB CYS 4 -1.841 0.110 1.068 22 HB3 CYS 4 2HB CYS 4 -2.242 1.574 0.121 23 H GLY 5 H GLY 5 -4.925 1.114 -1.376 24 HA2 GLY 5 1HA GLY 5 -4.301 1.523 -4.197 25 HA3 GLY 5 2HA GLY 5 -5.701 2.143 -3.307 26 H TYR 6 H TYR 6 -2.217 2.685 -2.758 27 HA TYR 6 HA TYR 6 -2.314 5.412 -3.785 28 HB2 TYR 6 1HB TYR 6 -3.192 5.903 -1.575 29 HB3 TYR 6 2HB TYR 6 -2.014 4.826 -0.835 30 HD1 TYR 6 HD1 TYR 6 -0.113 5.803 0.226 31 HD2 TYR 6 HD2 TYR 6 -1.994 7.791 -3.107 32 HE1 TYR 6 HE1 TYR 6 1.482 7.699 0.445 33 HE2 TYR 6 HE2 TYR 6 -0.353 9.645 -2.868 34 HH TYR 6 HH TYR 6 1.325 10.527 -1.755 35 H ARG 7 H ARG 7 -0.377 3.892 -1.168 36 HA ARG 7 HA ARG 7 1.507 2.678 -3.009 37 HB2 ARG 7 1HB ARG 7 2.107 5.070 -3.152 38 HB3 ARG 7 2HB ARG 7 2.432 5.094 -1.399 39 HG2 ARG 7 1HG ARG 7 4.190 3.433 -1.739 40 HG3 ARG 7 2HG ARG 7 3.858 3.359 -3.476 41 HD2 ARG 7 1HD ARG 7 4.423 5.779 -3.605 42 HD3 ARG 7 2HD ARG 7 4.845 5.754 -1.886 43 HE ARG 7 HE ARG 7 6.308 3.721 -3.155 44 HH11 ARG 7 1HH1 ARG 7 8.468 3.940 -3.618 45 HH12 ARG 7 2HH1 ARG 7 9.159 5.521 -3.757 46 HH21 ARG 7 1HH2 ARG 7 6.227 7.264 -3.049 47 HH22 ARG 7 2HH2 ARG 7 7.921 7.415 -3.402 48 H MET 8 H MET 8 0.822 3.796 0.242 49 HA MET 8 HA MET 8 2.795 2.456 1.718 50 HB2 MET 8 1HB MET 8 1.283 2.664 3.595 51 HB3 MET 8 2HB MET 8 1.217 4.129 2.600 52 HG2 MET 8 1HG MET 8 -0.876 3.261 1.568 53 HG3 MET 8 2HG MET 8 -0.768 1.867 2.664 54 HE1 MET 8 1HE MET 8 -0.314 5.886 3.073 55 HE2 MET 8 2HE MET 8 -1.740 6.278 4.028 56 HE3 MET 8 3HE MET 8 -1.929 5.768 2.326 57 H CYS 9 H CYS 9 2.757 0.535 3.004 58 HA CYS 9 HA CYS 9 0.827 -1.585 2.285 59 HB2 CYS 9 1HB CYS 9 2.869 -1.710 0.691 60 HB3 CYS 9 2HB CYS 9 3.871 -1.917 2.127 61 H VAL 10 H VAL 10 0.611 -2.919 4.019 62 HA VAL 10 HA VAL 10 0.342 -3.103 6.279 63 HB VAL 10 HB VAL 10 2.362 -4.267 7.287 64 HG11 VAL 10 1HG1 VAL 10 2.083 -6.141 5.657 65 HG12 VAL 10 2HG1 VAL 10 1.095 -5.105 4.686 66 HG13 VAL 10 3HG1 VAL 10 0.595 -5.516 6.321 67 HG21 VAL 10 1HG2 VAL 10 3.489 -3.918 4.476 68 HG22 VAL 10 2HG2 VAL 10 4.177 -4.907 5.758 69 HG23 VAL 10 3HG2 VAL 10 4.138 -3.128 5.925 70 HA PRO 11 HA PRO 11 -1.113 -1.755 7.591 71 HB2 PRO 11 1HB PRO 11 -1.017 1.260 7.836 72 HB3 PRO 11 2HB PRO 11 -2.043 0.098 8.717 73 HG2 PRO 11 1HG PRO 11 -0.002 1.148 9.962 74 HG3 PRO 11 2HG PRO 11 -0.203 -0.594 10.067 75 HD2 PRO 11 1HD PRO 11 1.579 0.977 8.158 76 HD3 PRO 11 2HD PRO 11 2.028 -0.394 9.251 77 H CYS 12 H CYS 12 -2.971 -0.983 6.542 78 HA CYS 12 HA CYS 12 -2.651 0.676 4.131 79 HB2 CYS 12 1HB CYS 12 -2.315 -1.515 3.218 80 HB3 CYS 12 2HB CYS 12 -3.654 -2.207 4.141 81 HN1 NH2 13 1H NH2 13 -5.724 2.034 5.183 82 HN2 NH2 13 2H NH2 13 -4.101 2.287 4.640 Start of MODEL 14 1 H1 SER 1 1H SER 1 4.196 -2.802 -6.367 2 H2 SER 1 2H SER 1 3.955 -3.866 -7.616 3 H3 SER 1 3H SER 1 3.728 -4.375 -6.039 4 HA SER 1 HA SER 1 2.137 -2.371 -7.539 5 HB2 SER 1 1HB SER 1 1.432 -5.083 -6.367 6 HB3 SER 1 2HB SER 1 0.310 -4.037 -7.283 7 HG SER 1 HG SER 1 1.277 -5.506 -8.672 8 H THR 2 H THR 2 3.245 -3.306 -4.338 9 HA THR 2 HA THR 2 2.844 -2.543 -2.306 10 HB THR 2 HB THR 2 1.974 -0.419 -1.734 11 HG1 THR 2 HG1 THR 2 0.462 -0.811 -4.031 12 HG21 THR 2 1HG2 THR 2 2.875 0.255 -4.528 13 HG22 THR 2 2HG2 THR 2 4.034 -0.573 -3.422 14 HG23 THR 2 3HG2 THR 2 3.349 1.014 -2.989 15 H CYS 3 H CYS 3 0.830 -1.801 -0.771 16 HA CYS 3 HA CYS 3 -0.875 -4.257 -1.210 17 HB2 CYS 3 1HB CYS 3 -0.442 -2.481 1.216 18 HB3 CYS 3 2HB CYS 3 -1.422 -3.914 1.165 19 H CYS 4 H CYS 4 -0.969 -0.740 -0.833 20 HA CYS 4 HA CYS 4 -3.962 -0.855 -1.080 21 HB2 CYS 4 1HB CYS 4 -2.280 0.213 1.034 22 HB3 CYS 4 2HB CYS 4 -3.232 1.516 0.332 23 H GLY 5 H GLY 5 -4.980 1.119 -1.829 24 HA2 GLY 5 1HA GLY 5 -3.777 2.252 -4.192 25 HA3 GLY 5 2HA GLY 5 -5.340 2.630 -3.473 26 H TYR 6 H TYR 6 -2.129 2.891 -1.959 27 HA TYR 6 HA TYR 6 -2.270 5.922 -2.081 28 HB2 TYR 6 1HB TYR 6 -1.782 4.136 0.342 29 HB3 TYR 6 2HB TYR 6 -1.462 5.890 0.344 30 HD1 TYR 6 HD1 TYR 6 -3.278 7.527 0.260 31 HD2 TYR 6 HD2 TYR 6 -4.128 3.302 0.420 32 HE1 TYR 6 HE1 TYR 6 -5.653 8.025 0.864 33 HE2 TYR 6 HE2 TYR 6 -6.475 3.815 1.016 34 HH TYR 6 HH TYR 6 -7.941 5.329 1.548 35 H ARG 7 H ARG 7 -0.953 3.273 -3.166 36 HA ARG 7 HA ARG 7 1.081 2.400 -3.682 37 HB2 ARG 7 1HB ARG 7 2.296 5.127 -3.292 38 HB3 ARG 7 2HB ARG 7 2.763 3.865 -4.428 39 HG2 ARG 7 1HG ARG 7 0.481 4.213 -5.518 40 HG3 ARG 7 2HG ARG 7 0.393 5.737 -4.599 41 HD2 ARG 7 1HD ARG 7 1.396 6.382 -6.685 42 HD3 ARG 7 2HD ARG 7 2.773 6.224 -5.568 43 HE ARG 7 HE ARG 7 2.333 3.705 -6.740 44 HH11 ARG 7 1HH1 ARG 7 3.647 2.985 -8.359 45 HH12 ARG 7 2HH1 ARG 7 4.622 4.046 -9.277 46 HH21 ARG 7 1HH2 ARG 7 3.563 6.896 -7.685 47 HH22 ARG 7 2HH2 ARG 7 4.559 6.218 -8.933 48 H MET 8 H MET 8 0.382 2.188 -1.007 49 HA MET 8 HA MET 8 3.070 2.026 0.219 50 HB2 MET 8 1HB MET 8 1.128 3.898 0.967 51 HB3 MET 8 2HB MET 8 0.944 2.558 2.126 52 HG2 MET 8 1HG MET 8 2.463 4.249 2.985 53 HG3 MET 8 2HG MET 8 3.312 2.723 2.740 54 HE1 MET 8 1HE MET 8 3.813 6.517 0.304 55 HE2 MET 8 2HE MET 8 2.805 6.276 1.751 56 HE3 MET 8 3HE MET 8 2.311 5.559 0.186 57 H CYS 9 H CYS 9 3.017 0.509 2.221 58 HA CYS 9 HA CYS 9 1.019 -1.641 1.958 59 HB2 CYS 9 1HB CYS 9 3.913 -1.761 1.586 60 HB3 CYS 9 2HB CYS 9 3.323 -2.935 2.755 61 H VAL 10 H VAL 10 0.964 -3.073 3.884 62 HA VAL 10 HA VAL 10 0.244 -2.701 6.153 63 HB VAL 10 HB VAL 10 2.296 -3.486 7.513 64 HG11 VAL 10 1HG1 VAL 10 0.531 -5.021 6.878 65 HG12 VAL 10 2HG1 VAL 10 2.066 -5.785 6.384 66 HG13 VAL 10 3HG1 VAL 10 1.035 -5.014 5.149 67 HG21 VAL 10 1HG2 VAL 10 4.183 -4.268 6.373 68 HG22 VAL 10 2HG2 VAL 10 3.949 -2.629 5.754 69 HG23 VAL 10 3HG2 VAL 10 3.437 -4.007 4.758 70 HA PRO 11 HA PRO 11 -1.228 -1.672 7.746 71 HB2 PRO 11 1HB PRO 11 -1.754 1.314 7.618 72 HB3 PRO 11 2HB PRO 11 -2.401 0.032 8.701 73 HG2 PRO 11 1HG PRO 11 -0.583 1.642 9.706 74 HG3 PRO 11 2HG PRO 11 -0.449 -0.150 9.917 75 HD2 PRO 11 1HD PRO 11 0.920 1.546 7.769 76 HD3 PRO 11 2HD PRO 11 1.636 0.383 8.951 77 H CYS 12 H CYS 12 -3.240 -1.587 6.519 78 HA CYS 12 HA CYS 12 -3.360 0.099 4.169 79 HB2 CYS 12 1HB CYS 12 -2.099 -1.798 3.242 80 HB3 CYS 12 2HB CYS 12 -3.213 -2.926 4.006 81 HN1 NH2 13 1H NH2 13 -6.792 -0.128 4.802 82 HN2 NH2 13 2H NH2 13 -5.440 0.811 4.237 Start of MODEL 15 1 H1 SER 1 1H SER 1 0.820 -3.863 -7.409 2 H2 SER 1 2H SER 1 0.943 -5.419 -6.856 3 H3 SER 1 3H SER 1 1.561 -4.943 -8.341 4 HA SER 1 HA SER 1 3.218 -5.270 -6.530 5 HB2 SER 1 1HB SER 1 3.007 -2.551 -7.856 6 HB3 SER 1 2HB SER 1 4.429 -3.103 -6.959 7 HG SER 1 HG SER 1 5.003 -4.018 -8.771 8 H THR 2 H THR 2 1.766 -1.902 -6.147 9 HA THR 2 HA THR 2 2.480 -1.658 -3.445 10 HB THR 2 HB THR 2 0.011 -0.375 -4.696 11 HG1 THR 2 HG1 THR 2 2.634 0.495 -5.146 12 HG21 THR 2 1HG2 THR 2 0.672 0.170 -2.373 13 HG22 THR 2 2HG2 THR 2 0.686 1.555 -3.460 14 HG23 THR 2 3HG2 THR 2 2.228 0.811 -3.001 15 H CYS 3 H CYS 3 1.502 -2.457 -1.567 16 HA CYS 3 HA CYS 3 -0.553 -4.411 -1.852 17 HB2 CYS 3 1HB CYS 3 0.246 -3.078 0.741 18 HB3 CYS 3 2HB CYS 3 -0.289 -4.717 0.477 19 H CYS 4 H CYS 4 -0.428 -1.047 -0.607 20 HA CYS 4 HA CYS 4 -3.336 -1.083 -0.027 21 HB2 CYS 4 1HB CYS 4 -1.172 1.022 0.400 22 HB3 CYS 4 2HB CYS 4 -2.844 1.176 0.986 23 H GLY 5 H GLY 5 -4.607 0.727 -0.682 24 HA2 GLY 5 1HA GLY 5 -4.171 1.440 -3.540 25 HA3 GLY 5 2HA GLY 5 -5.688 1.581 -2.604 26 H TYR 6 H TYR 6 -2.470 2.792 -1.617 27 HA TYR 6 HA TYR 6 -3.383 5.547 -2.282 28 HB2 TYR 6 1HB TYR 6 -3.986 5.124 0.130 29 HB3 TYR 6 2HB TYR 6 -2.289 4.702 0.473 30 HD1 TYR 6 HD1 TYR 6 -0.579 6.539 0.560 31 HD2 TYR 6 HD2 TYR 6 -4.679 7.495 -0.346 32 HE1 TYR 6 HE1 TYR 6 -0.120 8.902 1.031 33 HE2 TYR 6 HE2 TYR 6 -4.198 9.896 0.107 34 HH TYR 6 HH TYR 6 -1.029 11.002 1.195 35 H ARG 7 H ARG 7 -0.797 3.954 -0.390 36 HA ARG 7 HA ARG 7 1.028 3.686 -2.574 37 HB2 ARG 7 1HB ARG 7 1.083 6.236 -2.015 38 HB3 ARG 7 2HB ARG 7 1.777 5.765 -0.456 39 HG2 ARG 7 1HG ARG 7 3.620 4.681 -1.681 40 HG3 ARG 7 2HG ARG 7 2.957 5.281 -3.213 41 HD2 ARG 7 1HD ARG 7 3.240 7.645 -2.365 42 HD3 ARG 7 2HD ARG 7 3.936 6.949 -0.867 43 HE ARG 7 HE ARG 7 5.340 5.968 -3.152 44 HH11 ARG 7 1HH1 ARG 7 7.422 6.588 -3.517 45 HH12 ARG 7 2HH1 ARG 7 8.025 8.032 -2.785 46 HH21 ARG 7 1HH2 ARG 7 5.063 8.824 -1.129 47 HH22 ARG 7 2HH2 ARG 7 6.743 9.326 -1.437 48 H MET 8 H MET 8 3.105 2.796 -1.430 49 HA MET 8 HA MET 8 4.156 1.429 0.097 50 HB2 MET 8 1HB MET 8 2.375 2.880 2.118 51 HB3 MET 8 2HB MET 8 3.737 1.839 2.515 52 HG2 MET 8 1HG MET 8 3.957 4.362 0.819 53 HG3 MET 8 2HG MET 8 4.272 4.300 2.569 54 HE1 MET 8 1HE MET 8 6.292 4.732 -0.429 55 HE2 MET 8 2HE MET 8 5.519 3.218 -0.982 56 HE3 MET 8 3HE MET 8 7.259 3.257 -0.664 57 H CYS 9 H CYS 9 3.794 -0.100 2.057 58 HA CYS 9 HA CYS 9 1.603 -1.888 1.298 59 HB2 CYS 9 1HB CYS 9 4.134 -2.561 1.635 60 HB3 CYS 9 2HB CYS 9 3.674 -2.704 3.330 61 H VAL 10 H VAL 10 1.104 -3.295 3.559 62 HA VAL 10 HA VAL 10 -0.750 -1.674 4.871 63 HB VAL 10 HB VAL 10 -1.045 -3.576 6.450 64 HG11 VAL 10 1HG1 VAL 10 -2.289 -3.504 4.302 65 HG12 VAL 10 2HG1 VAL 10 -1.845 -5.186 4.715 66 HG13 VAL 10 3HG1 VAL 10 -0.943 -4.295 3.451 67 HG21 VAL 10 1HG2 VAL 10 0.199 -5.725 5.749 68 HG22 VAL 10 2HG2 VAL 10 1.103 -4.534 6.718 69 HG23 VAL 10 3HG2 VAL 10 1.390 -4.662 4.951 70 HA PRO 11 HA PRO 11 -2.073 -1.494 7.225 71 HB2 PRO 11 1HB PRO 11 -1.502 1.335 8.053 72 HB3 PRO 11 2HB PRO 11 -2.633 0.139 8.779 73 HG2 PRO 11 1HG PRO 11 -0.363 0.725 9.961 74 HG3 PRO 11 2HG PRO 11 -0.937 -0.951 9.867 75 HD2 PRO 11 1HD PRO 11 1.084 0.540 8.257 76 HD3 PRO 11 2HD PRO 11 1.199 -1.078 8.977 77 H CYS 12 H CYS 12 -3.791 -0.514 6.299 78 HA CYS 12 HA CYS 12 -3.054 1.466 4.163 79 HB2 CYS 12 1HB CYS 12 -5.246 -0.663 4.011 80 HB3 CYS 12 2HB CYS 12 -4.826 0.513 2.771 81 HN1 NH2 13 1H NH2 13 -5.981 3.391 4.742 82 HN2 NH2 13 2H NH2 13 -4.744 2.949 3.603 Start of MODEL 16 1 H1 SER 1 1H SER 1 -0.672 -6.163 -9.491 2 H2 SER 1 2H SER 1 0.694 -5.306 -9.161 3 H3 SER 1 3H SER 1 -0.762 -4.611 -9.050 4 HA SER 1 HA SER 1 -1.431 -6.079 -7.233 5 HB2 SER 1 1HB SER 1 0.126 -7.917 -7.759 6 HB3 SER 1 2HB SER 1 1.538 -6.884 -7.424 7 HG SER 1 HG SER 1 1.054 -8.165 -5.649 8 H THR 2 H THR 2 -1.529 -4.994 -5.332 9 HA THR 2 HA THR 2 0.621 -3.203 -4.524 10 HB THR 2 HB THR 2 -0.785 -1.762 -6.091 11 HG1 THR 2 HG1 THR 2 0.047 -0.421 -4.698 12 HG21 THR 2 1HG2 THR 2 -2.913 -2.021 -3.933 13 HG22 THR 2 2HG2 THR 2 -3.001 -2.911 -5.472 14 HG23 THR 2 3HG2 THR 2 -3.025 -1.124 -5.470 15 H CYS 3 H CYS 3 0.126 -2.439 -2.310 16 HA CYS 3 HA CYS 3 -1.282 -4.624 -0.868 17 HB2 CYS 3 1HB CYS 3 0.065 -2.503 0.702 18 HB3 CYS 3 2HB CYS 3 0.153 -4.277 0.841 19 H CYS 4 H CYS 4 -1.163 -1.035 -1.189 20 HA CYS 4 HA CYS 4 -3.819 -0.929 0.215 21 HB2 CYS 4 1HB CYS 4 -1.761 -0.122 1.504 22 HB3 CYS 4 2HB CYS 4 -1.632 1.155 0.310 23 H GLY 5 H GLY 5 -2.045 -0.081 -2.698 24 HA2 GLY 5 1HA GLY 5 -2.823 1.092 -4.531 25 HA3 GLY 5 2HA GLY 5 -4.458 1.105 -3.782 26 H TYR 6 H TYR 6 -1.453 2.619 -2.470 27 HA TYR 6 HA TYR 6 -2.595 5.216 -3.238 28 HB2 TYR 6 1HB TYR 6 -3.536 4.604 -0.959 29 HB3 TYR 6 2HB TYR 6 -1.887 4.625 -0.331 30 HD1 TYR 6 HD1 TYR 6 -4.785 6.599 -1.493 31 HD2 TYR 6 HD2 TYR 6 -0.671 6.900 -0.251 32 HE1 TYR 6 HE1 TYR 6 -4.984 9.055 -1.215 33 HE2 TYR 6 HE2 TYR 6 -0.898 9.324 0.058 34 HH TYR 6 HH TYR 6 -2.315 11.105 0.007 35 H ARG 7 H ARG 7 -0.234 4.668 -0.712 36 HA ARG 7 HA ARG 7 1.911 4.353 -2.671 37 HB2 ARG 7 1HB ARG 7 1.962 6.505 -0.502 38 HB3 ARG 7 2HB ARG 7 3.312 6.058 -1.489 39 HG2 ARG 7 1HG ARG 7 1.835 6.669 -3.502 40 HG3 ARG 7 2HG ARG 7 0.750 7.461 -2.333 41 HD2 ARG 7 1HD ARG 7 2.179 9.178 -3.151 42 HD3 ARG 7 2HD ARG 7 2.769 8.813 -1.539 43 HE ARG 7 HE ARG 7 4.184 7.150 -3.317 44 HH11 ARG 7 1HH1 ARG 7 6.220 7.615 -4.021 45 HH12 ARG 7 2HH1 ARG 7 6.779 9.270 -4.104 46 HH21 ARG 7 1HH2 ARG 7 3.863 10.614 -2.757 47 HH22 ARG 7 2HH2 ARG 7 5.454 10.962 -3.344 48 H MET 8 H MET 8 0.988 4.592 0.773 49 HA MET 8 HA MET 8 3.147 3.065 1.839 50 HB2 MET 8 1HB MET 8 1.871 3.019 3.851 51 HB3 MET 8 2HB MET 8 1.452 4.539 3.066 52 HG2 MET 8 1HG MET 8 -0.643 3.382 2.145 53 HG3 MET 8 2HG MET 8 -0.261 2.002 3.169 54 HE1 MET 8 1HE MET 8 -1.846 6.048 4.601 55 HE2 MET 8 2HE MET 8 -1.739 5.498 2.934 56 HE3 MET 8 3HE MET 8 -0.282 5.956 3.827 57 H CYS 9 H CYS 9 3.085 0.961 2.730 58 HA CYS 9 HA CYS 9 1.274 -0.977 1.376 59 HB2 CYS 9 1HB CYS 9 3.686 -0.972 0.533 60 HB3 CYS 9 2HB CYS 9 4.199 -1.376 2.180 61 H VAL 10 H VAL 10 1.132 -2.958 2.737 62 HA VAL 10 HA VAL 10 -0.313 -2.785 4.914 63 HB VAL 10 HB VAL 10 2.103 -4.667 4.917 64 HG11 VAL 10 1HG1 VAL 10 0.578 -6.223 6.038 65 HG12 VAL 10 2HG1 VAL 10 -0.727 -5.035 5.992 66 HG13 VAL 10 3HG1 VAL 10 0.699 -4.742 6.985 67 HG21 VAL 10 1HG2 VAL 10 0.599 -6.234 3.619 68 HG22 VAL 10 2HG2 VAL 10 1.084 -4.795 2.690 69 HG23 VAL 10 3HG2 VAL 10 -0.552 -4.892 3.395 70 HA PRO 11 HA PRO 11 -1.417 -2.417 7.261 71 HB2 PRO 11 1HB PRO 11 -0.973 0.475 7.965 72 HB3 PRO 11 2HB PRO 11 -1.968 -0.772 8.800 73 HG2 PRO 11 1HG PRO 11 0.303 -0.100 9.857 74 HG3 PRO 11 2HG PRO 11 -0.126 -1.847 9.657 75 HD2 PRO 11 1HD PRO 11 1.622 -0.123 7.939 76 HD3 PRO 11 2HD PRO 11 1.970 -1.720 8.623 77 H CYS 12 H CYS 12 -3.390 -1.154 6.596 78 HA CYS 12 HA CYS 12 -2.922 0.811 4.490 79 HB2 CYS 12 1HB CYS 12 -3.265 -1.375 3.380 80 HB3 CYS 12 2HB CYS 12 -4.820 -1.550 4.226 81 HN1 NH2 13 1H NH2 13 -5.628 2.559 5.892 82 HN2 NH2 13 2H NH2 13 -4.140 2.617 5.022 Start of MODEL 17 1 H1 SER 1 1H SER 1 4.493 -3.487 -3.941 2 H2 SER 1 2H SER 1 6.059 -3.537 -4.453 3 H3 SER 1 3H SER 1 4.978 -2.462 -5.151 4 HA SER 1 HA SER 1 6.250 -2.445 -2.484 5 HB2 SER 1 1HB SER 1 6.867 -0.160 -3.094 6 HB3 SER 1 2HB SER 1 7.328 -1.237 -4.424 7 HG SER 1 HG SER 1 6.272 0.621 -5.236 8 H THR 2 H THR 2 3.170 -1.719 -4.191 9 HA THR 2 HA THR 2 2.244 -0.287 -1.753 10 HB THR 2 HB THR 2 1.271 -0.078 -4.607 11 HG1 THR 2 HG1 THR 2 3.064 1.110 -4.451 12 HG21 THR 2 1HG2 THR 2 -0.145 1.786 -3.754 13 HG22 THR 2 2HG2 THR 2 0.324 1.296 -2.091 14 HG23 THR 2 3HG2 THR 2 -0.627 0.186 -3.141 15 H CYS 3 H CYS 3 0.649 -1.242 -0.628 16 HA CYS 3 HA CYS 3 -0.932 -3.416 -1.980 17 HB2 CYS 3 1HB CYS 3 -0.135 -3.286 0.960 18 HB3 CYS 3 2HB CYS 3 -1.063 -4.538 0.195 19 H CYS 4 H CYS 4 -0.961 -0.387 -0.472 20 HA CYS 4 HA CYS 4 -3.649 -0.745 0.751 21 HB2 CYS 4 1HB CYS 4 -1.739 0.486 1.810 22 HB3 CYS 4 2HB CYS 4 -1.886 1.744 0.554 23 H GLY 5 H GLY 5 -2.593 -0.092 -2.338 24 HA2 GLY 5 1HA GLY 5 -3.735 0.720 -4.209 25 HA3 GLY 5 2HA GLY 5 -5.176 0.831 -3.197 26 H TYR 6 H TYR 6 -2.135 2.520 -2.513 27 HA TYR 6 HA TYR 6 -3.017 5.001 -3.732 28 HB2 TYR 6 1HB TYR 6 -4.148 5.052 -1.575 29 HB3 TYR 6 2HB TYR 6 -2.616 4.764 -0.744 30 HD1 TYR 6 HD1 TYR 6 -4.525 7.293 -2.736 31 HD2 TYR 6 HD2 TYR 6 -0.995 6.579 -0.372 32 HE1 TYR 6 HE1 TYR 6 -4.091 9.733 -2.614 33 HE2 TYR 6 HE2 TYR 6 -0.534 8.978 -0.267 34 HH TYR 6 HH TYR 6 -1.286 11.105 -0.818 35 H ARG 7 H ARG 7 -0.886 4.124 -0.973 36 HA ARG 7 HA ARG 7 1.400 3.711 -2.694 37 HB2 ARG 7 1HB ARG 7 1.197 6.278 -2.179 38 HB3 ARG 7 2HB ARG 7 1.805 5.843 -0.568 39 HG2 ARG 7 1HG ARG 7 3.656 6.580 -1.876 40 HG3 ARG 7 2HG ARG 7 3.786 4.816 -1.730 41 HD2 ARG 7 1HD ARG 7 4.338 5.470 -4.045 42 HD3 ARG 7 2HD ARG 7 2.824 4.577 -4.049 43 HE ARG 7 HE ARG 7 2.192 7.326 -3.877 44 HH11 ARG 7 1HH1 ARG 7 1.522 8.435 -5.755 45 HH12 ARG 7 2HH1 ARG 7 2.047 7.905 -7.307 46 HH21 ARG 7 1HH2 ARG 7 3.884 5.238 -6.117 47 HH22 ARG 7 2HH2 ARG 7 3.370 6.108 -7.507 48 H MET 8 H MET 8 3.211 2.845 -1.255 49 HA MET 8 HA MET 8 3.930 1.553 0.467 50 HB2 MET 8 1HB MET 8 2.805 3.700 1.757 51 HB3 MET 8 2HB MET 8 1.949 2.371 2.534 52 HG2 MET 8 1HG MET 8 3.966 2.947 3.797 53 HG3 MET 8 2HG MET 8 4.074 1.309 3.116 54 HE1 MET 8 1HE MET 8 6.356 5.066 1.623 55 HE2 MET 8 2HE MET 8 5.463 5.001 3.133 56 HE3 MET 8 3HE MET 8 4.584 4.969 1.616 57 H CYS 9 H CYS 9 3.443 -0.179 2.007 58 HA CYS 9 HA CYS 9 1.074 -1.722 1.130 59 HB2 CYS 9 1HB CYS 9 3.945 -2.465 1.721 60 HB3 CYS 9 2HB CYS 9 2.682 -3.631 2.181 61 H VAL 10 H VAL 10 0.700 -3.511 3.037 62 HA VAL 10 HA VAL 10 -0.775 -2.243 4.973 63 HB VAL 10 HB VAL 10 0.635 -4.962 5.325 64 HG11 VAL 10 1HG1 VAL 10 -1.430 -5.556 6.582 65 HG12 VAL 10 2HG1 VAL 10 -1.944 -3.878 6.447 66 HG13 VAL 10 3HG1 VAL 10 -0.482 -4.285 7.327 67 HG21 VAL 10 1HG2 VAL 10 -0.428 -4.925 3.147 68 HG22 VAL 10 2HG2 VAL 10 -1.934 -4.283 3.831 69 HG23 VAL 10 3HG2 VAL 10 -1.384 -5.938 4.231 70 HA PRO 11 HA PRO 11 -1.396 -1.870 7.616 71 HB2 PRO 11 1HB PRO 11 -0.436 0.942 8.067 72 HB3 PRO 11 2HB PRO 11 -1.421 -0.085 9.163 73 HG2 PRO 11 1HG PRO 11 1.103 0.373 9.636 74 HG3 PRO 11 2HG PRO 11 0.472 -1.294 9.880 75 HD2 PRO 11 1HD PRO 11 2.143 -0.242 7.672 76 HD3 PRO 11 2HD PRO 11 2.171 -1.846 8.489 77 H CYS 12 H CYS 12 -3.296 -0.721 7.033 78 HA CYS 12 HA CYS 12 -3.053 1.286 4.975 79 HB2 CYS 12 1HB CYS 12 -3.143 -0.942 3.811 80 HB3 CYS 12 2HB CYS 12 -4.700 -1.217 4.603 81 HN1 NH2 13 1H NH2 13 -5.745 2.858 6.628 82 HN2 NH2 13 2H NH2 13 -4.100 2.975 6.061 Start of MODEL 18 1 H1 SER 1 1H SER 1 3.169 -4.409 -4.871 2 H2 SER 1 2H SER 1 3.051 -4.269 -6.478 3 H3 SER 1 3H SER 1 1.738 -3.878 -5.519 4 HA SER 1 HA SER 1 4.311 -2.501 -5.453 5 HB2 SER 1 1HB SER 1 3.113 -0.627 -6.587 6 HB3 SER 1 2HB SER 1 3.276 -2.074 -7.595 7 HG SER 1 HG SER 1 1.197 -1.324 -7.794 8 H THR 2 H THR 2 0.800 -2.118 -4.597 9 HA THR 2 HA THR 2 1.740 -1.095 -1.970 10 HB THR 2 HB THR 2 0.901 0.904 -3.295 11 HG1 THR 2 HG1 THR 2 0.445 0.758 -1.014 12 HG21 THR 2 1HG2 THR 2 -0.686 -0.572 -4.715 13 HG22 THR 2 2HG2 THR 2 -1.187 1.067 -4.275 14 HG23 THR 2 3HG2 THR 2 -1.843 -0.322 -3.378 15 H CYS 3 H CYS 3 0.375 -1.873 -0.258 16 HA CYS 3 HA CYS 3 -0.729 -4.488 -0.756 17 HB2 CYS 3 1HB CYS 3 -0.571 -2.607 1.608 18 HB3 CYS 3 2HB CYS 3 -1.519 -4.099 1.691 19 H CYS 4 H CYS 4 -2.161 -1.283 -0.150 20 HA CYS 4 HA CYS 4 -4.810 -2.437 -1.040 21 HB2 CYS 4 1HB CYS 4 -4.067 -0.963 1.446 22 HB3 CYS 4 2HB CYS 4 -5.558 -0.475 0.601 23 H GLY 5 H GLY 5 -3.287 0.685 -0.097 24 HA2 GLY 5 1HA GLY 5 -3.105 1.797 -2.633 25 HA3 GLY 5 2HA GLY 5 -4.761 2.095 -2.119 26 H TYR 6 H TYR 6 -1.453 3.000 -1.755 27 HA TYR 6 HA TYR 6 -2.194 5.512 -0.467 28 HB2 TYR 6 1HB TYR 6 -1.777 3.666 1.342 29 HB3 TYR 6 2HB TYR 6 -0.066 3.949 0.971 30 HD1 TYR 6 HD1 TYR 6 0.387 6.720 0.726 31 HD2 TYR 6 HD2 TYR 6 -2.586 4.819 3.197 32 HE1 TYR 6 HE1 TYR 6 0.363 8.682 2.170 33 HE2 TYR 6 HE2 TYR 6 -2.596 6.870 4.677 34 HH TYR 6 HH TYR 6 -1.733 9.007 5.023 35 H ARG 7 H ARG 7 0.478 3.286 -0.915 36 HA ARG 7 HA ARG 7 1.614 3.899 -3.305 37 HB2 ARG 7 1HB ARG 7 2.076 6.317 -2.600 38 HB3 ARG 7 2HB ARG 7 3.012 5.666 -1.247 39 HG2 ARG 7 1HG ARG 7 4.512 4.553 -2.882 40 HG3 ARG 7 2HG ARG 7 3.602 5.348 -4.178 41 HD2 ARG 7 1HD ARG 7 4.129 7.565 -3.037 42 HD3 ARG 7 2HD ARG 7 5.129 6.633 -1.867 43 HE ARG 7 HE ARG 7 5.955 6.008 -4.478 44 HH11 ARG 7 1HH1 ARG 7 7.774 6.892 -5.359 45 HH12 ARG 7 2HH1 ARG 7 8.507 8.317 -4.695 46 HH21 ARG 7 1HH2 ARG 7 6.084 8.738 -2.205 47 HH22 ARG 7 2HH2 ARG 7 7.543 9.345 -2.924 48 H MET 8 H MET 8 2.442 3.920 0.145 49 HA MET 8 HA MET 8 4.430 1.850 -0.123 50 HB2 MET 8 1HB MET 8 3.092 2.610 2.474 51 HB3 MET 8 2HB MET 8 4.753 2.095 2.221 52 HG2 MET 8 1HG MET 8 5.006 4.315 2.690 53 HG3 MET 8 2HG MET 8 4.991 4.365 0.933 54 HE1 MET 8 1HE MET 8 3.276 5.353 4.280 55 HE2 MET 8 2HE MET 8 1.896 4.328 3.802 56 HE3 MET 8 3HE MET 8 1.747 6.105 3.798 57 H CYS 9 H CYS 9 4.300 -0.180 1.274 58 HA CYS 9 HA CYS 9 1.540 -1.341 1.014 59 HB2 CYS 9 1HB CYS 9 4.158 -2.390 0.747 60 HB3 CYS 9 2HB CYS 9 3.526 -3.050 2.261 61 H VAL 10 H VAL 10 0.328 -1.654 2.797 62 HA VAL 10 HA VAL 10 -0.451 -1.462 4.876 63 HB VAL 10 HB VAL 10 2.389 -1.488 5.932 64 HG11 VAL 10 1HG1 VAL 10 0.767 -0.581 7.586 65 HG12 VAL 10 2HG1 VAL 10 1.354 -2.178 8.069 66 HG13 VAL 10 3HG1 VAL 10 -0.246 -2.024 7.362 67 HG21 VAL 10 1HG2 VAL 10 0.416 -3.720 5.492 68 HG22 VAL 10 2HG2 VAL 10 1.942 -3.856 6.365 69 HG23 VAL 10 3HG2 VAL 10 1.945 -3.489 4.635 70 HA PRO 11 HA PRO 11 -1.742 -0.323 6.835 71 HB2 PRO 11 1HB PRO 11 -3.341 1.877 5.569 72 HB3 PRO 11 2HB PRO 11 -3.324 1.279 7.277 73 HG2 PRO 11 1HG PRO 11 -2.263 3.550 6.643 74 HG3 PRO 11 2HG PRO 11 -1.385 2.487 7.765 75 HD2 PRO 11 1HD PRO 11 -0.809 2.954 4.893 76 HD3 PRO 11 2HD PRO 11 0.261 2.748 6.267 77 H CYS 12 H CYS 12 -3.687 -1.462 6.388 78 HA CYS 12 HA CYS 12 -4.881 -1.330 3.758 79 HB2 CYS 12 1HB CYS 12 -2.686 -2.753 3.508 80 HB3 CYS 12 2HB CYS 12 -3.478 -3.911 4.554 81 HN1 NH2 13 1H NH2 13 -7.487 -3.255 5.342 82 HN2 NH2 13 2H NH2 13 -6.875 -2.718 3.808 Start of MODEL 19 1 H1 SER 1 1H SER 1 7.129 -0.632 -2.988 2 H2 SER 1 2H SER 1 6.514 -0.429 -4.562 3 H3 SER 1 3H SER 1 7.644 -1.616 -4.195 4 HA SER 1 HA SER 1 5.476 -2.585 -4.495 5 HB2 SER 1 1HB SER 1 5.400 -3.632 -2.102 6 HB3 SER 1 2HB SER 1 6.878 -3.791 -3.148 7 HG SER 1 HG SER 1 7.483 -3.079 -1.044 8 H THR 2 H THR 2 3.197 -2.559 -3.922 9 HA THR 2 HA THR 2 2.341 -0.697 -1.784 10 HB THR 2 HB THR 2 2.159 0.633 -3.873 11 HG1 THR 2 HG1 THR 2 -0.103 1.037 -3.740 12 HG21 THR 2 1HG2 THR 2 0.258 -1.507 -4.844 13 HG22 THR 2 2HG2 THR 2 1.898 -1.169 -5.494 14 HG23 THR 2 3HG2 THR 2 0.612 0.030 -5.641 15 H CYS 3 H CYS 3 0.281 -1.175 -1.002 16 HA CYS 3 HA CYS 3 -1.007 -3.726 -1.873 17 HB2 CYS 3 1HB CYS 3 -0.348 -3.139 1.044 18 HB3 CYS 3 2HB CYS 3 -1.305 -4.483 0.436 19 H CYS 4 H CYS 4 -0.982 -0.823 0.106 20 HA CYS 4 HA CYS 4 -3.718 -0.945 0.829 21 HB2 CYS 4 1HB CYS 4 -1.947 0.406 1.982 22 HB3 CYS 4 2HB CYS 4 -1.822 1.416 0.549 23 H GLY 5 H GLY 5 -2.043 0.238 -2.089 24 HA2 GLY 5 1HA GLY 5 -3.133 0.785 -4.126 25 HA3 GLY 5 2HA GLY 5 -4.687 0.538 -3.333 26 H TYR 6 H TYR 6 -2.069 2.621 -2.166 27 HA TYR 6 HA TYR 6 -3.348 5.076 -3.273 28 HB2 TYR 6 1HB TYR 6 -4.461 4.644 -1.040 29 HB3 TYR 6 2HB TYR 6 -2.868 4.618 -0.260 30 HD1 TYR 6 HD1 TYR 6 -5.595 6.759 -1.428 31 HD2 TYR 6 HD2 TYR 6 -1.454 6.758 -0.352 32 HE1 TYR 6 HE1 TYR 6 -5.697 9.208 -1.127 33 HE2 TYR 6 HE2 TYR 6 -1.521 9.260 -0.084 34 HH TYR 6 HH TYR 6 -4.564 11.105 -0.580 35 H ARG 7 H ARG 7 -1.109 3.960 -0.740 36 HA ARG 7 HA ARG 7 1.295 4.182 -2.352 37 HB2 ARG 7 1HB ARG 7 0.893 5.952 0.101 38 HB3 ARG 7 2HB ARG 7 2.433 5.634 -0.672 39 HG2 ARG 7 1HG ARG 7 1.429 6.656 -2.811 40 HG3 ARG 7 2HG ARG 7 0.107 7.252 -1.762 41 HD2 ARG 7 1HD ARG 7 1.832 8.319 -0.309 42 HD3 ARG 7 2HD ARG 7 3.088 7.887 -1.519 43 HE ARG 7 HE ARG 7 0.932 9.171 -2.866 44 HH11 ARG 7 1HH1 ARG 7 1.085 11.235 -3.533 45 HH12 ARG 7 2HH1 ARG 7 2.241 12.326 -2.844 46 HH21 ARG 7 1HH2 ARG 7 3.579 9.960 -0.670 47 HH22 ARG 7 2HH2 ARG 7 3.679 11.602 -1.266 48 H MET 8 H MET 8 3.025 3.160 -1.109 49 HA MET 8 HA MET 8 3.878 1.499 0.168 50 HB2 MET 8 1HB MET 8 2.241 3.020 2.222 51 HB3 MET 8 2HB MET 8 3.258 1.681 2.712 52 HG2 MET 8 1HG MET 8 4.672 3.458 3.044 53 HG3 MET 8 2HG MET 8 5.147 2.864 1.441 54 HE1 MET 8 1HE MET 8 6.500 4.889 0.823 55 HE2 MET 8 2HE MET 8 5.698 6.207 -0.088 56 HE3 MET 8 3HE MET 8 5.535 4.525 -0.622 57 H CYS 9 H CYS 9 3.549 -0.249 1.873 58 HA CYS 9 HA CYS 9 1.193 -1.787 1.081 59 HB2 CYS 9 1HB CYS 9 4.031 -2.464 1.660 60 HB3 CYS 9 2HB CYS 9 2.823 -3.550 2.372 61 H VAL 10 H VAL 10 0.600 -3.409 2.905 62 HA VAL 10 HA VAL 10 -0.752 -2.162 4.885 63 HB VAL 10 HB VAL 10 -1.120 -4.498 4.420 64 HG11 VAL 10 1HG1 VAL 10 1.846 -4.895 5.187 65 HG12 VAL 10 2HG1 VAL 10 1.088 -5.201 3.630 66 HG13 VAL 10 3HG1 VAL 10 0.728 -6.255 5.001 67 HG21 VAL 10 1HG2 VAL 10 0.106 -4.605 7.176 68 HG22 VAL 10 2HG2 VAL 10 -1.247 -5.541 6.527 69 HG23 VAL 10 3HG2 VAL 10 -1.452 -3.803 6.832 70 HA PRO 11 HA PRO 11 -1.569 -1.672 7.469 71 HB2 PRO 11 1HB PRO 11 -0.307 1.069 7.878 72 HB3 PRO 11 2HB PRO 11 -1.541 0.242 8.883 73 HG2 PRO 11 1HG PRO 11 0.958 0.321 9.648 74 HG3 PRO 11 2HG PRO 11 0.039 -1.229 9.738 75 HD2 PRO 11 1HD PRO 11 2.082 -0.316 7.646 76 HD3 PRO 11 2HD PRO 11 1.937 -1.936 8.471 77 H CYS 12 H CYS 12 -3.288 -0.258 6.863 78 HA CYS 12 HA CYS 12 -2.831 1.473 4.558 79 HB2 CYS 12 1HB CYS 12 -3.393 -0.728 3.585 80 HB3 CYS 12 2HB CYS 12 -4.859 -0.771 4.573 81 HN1 NH2 13 1H NH2 13 -5.279 3.618 5.643 82 HN2 NH2 13 2H NH2 13 -4.104 3.262 4.434 Start of MODEL 20 1 H1 SER 1 1H SER 1 3.215 -5.997 -6.525 2 H2 SER 1 2H SER 1 2.953 -7.617 -6.531 3 H3 SER 1 3H SER 1 3.174 -6.867 -5.107 4 HA SER 1 HA SER 1 0.923 -6.477 -6.975 5 HB2 SER 1 1HB SER 1 1.001 -7.748 -4.206 6 HB3 SER 1 2HB SER 1 -0.402 -7.607 -5.298 7 HG SER 1 HG SER 1 0.350 -9.518 -5.943 8 H THR 2 H THR 2 -0.637 -4.893 -6.347 9 HA THR 2 HA THR 2 0.322 -2.609 -4.906 10 HB THR 2 HB THR 2 -2.495 -3.499 -5.694 11 HG1 THR 2 HG1 THR 2 -0.924 -1.737 -7.151 12 HG21 THR 2 1HG2 THR 2 -1.407 -0.773 -4.937 13 HG22 THR 2 2HG2 THR 2 -2.799 -1.647 -4.267 14 HG23 THR 2 3HG2 THR 2 -2.872 -1.004 -5.902 15 H CYS 3 H CYS 3 0.324 -2.230 -2.748 16 HA CYS 3 HA CYS 3 -0.967 -4.135 -0.939 17 HB2 CYS 3 1HB CYS 3 0.322 -1.477 -0.248 18 HB3 CYS 3 2HB CYS 3 -0.050 -2.797 0.844 19 H CYS 4 H CYS 4 -1.441 -0.532 -1.276 20 HA CYS 4 HA CYS 4 -4.166 -1.004 -0.105 21 HB2 CYS 4 1HB CYS 4 -2.298 0.041 1.386 22 HB3 CYS 4 2HB CYS 4 -2.542 1.490 0.461 23 H GLY 5 H GLY 5 -2.365 0.487 -2.676 24 HA2 GLY 5 1HA GLY 5 -3.288 1.392 -4.570 25 HA3 GLY 5 2HA GLY 5 -4.862 1.542 -3.766 26 H TYR 6 H TYR 6 -1.739 2.712 -2.434 27 HA TYR 6 HA TYR 6 -2.578 5.535 -3.060 28 HB2 TYR 6 1HB TYR 6 -1.784 4.375 -0.358 29 HB3 TYR 6 2HB TYR 6 -1.684 6.096 -0.714 30 HD1 TYR 6 HD1 TYR 6 -3.823 7.330 -1.085 31 HD2 TYR 6 HD2 TYR 6 -3.861 3.188 -0.064 32 HE1 TYR 6 HE1 TYR 6 -6.243 7.526 -0.512 33 HE2 TYR 6 HE2 TYR 6 -6.280 3.355 0.593 34 HH TYR 6 HH TYR 6 -8.136 4.778 0.741 35 H ARG 7 H ARG 7 -0.187 3.490 -1.426 36 HA ARG 7 HA ARG 7 1.840 3.245 -3.144 37 HB2 ARG 7 1HB ARG 7 3.614 4.930 -2.704 38 HB3 ARG 7 2HB ARG 7 2.225 5.609 -3.549 39 HG2 ARG 7 1HG ARG 7 1.429 6.769 -1.625 40 HG3 ARG 7 2HG ARG 7 2.538 5.920 -0.531 41 HD2 ARG 7 1HD ARG 7 3.500 7.546 -2.917 42 HD3 ARG 7 2HD ARG 7 3.187 8.274 -1.320 43 HE ARG 7 HE ARG 7 4.921 6.962 -0.337 44 HH11 ARG 7 1HH1 ARG 7 6.923 6.104 -0.493 45 HH12 ARG 7 2HH1 ARG 7 7.595 5.646 -2.048 46 HH21 ARG 7 1HH2 ARG 7 4.871 6.630 -3.884 47 HH22 ARG 7 2HH2 ARG 7 6.470 5.908 -3.878 48 H MET 8 H MET 8 0.914 4.126 0.118 49 HA MET 8 HA MET 8 3.116 2.916 1.511 50 HB2 MET 8 1HB MET 8 0.233 3.249 2.473 51 HB3 MET 8 2HB MET 8 1.686 3.057 3.462 52 HG2 MET 8 1HG MET 8 1.386 5.298 3.666 53 HG3 MET 8 2HG MET 8 2.406 5.291 2.212 54 HE1 MET 8 1HE MET 8 -0.968 6.732 3.580 55 HE2 MET 8 2HE MET 8 -1.351 5.027 3.267 56 HE3 MET 8 3HE MET 8 -2.111 6.299 2.292 57 H CYS 9 H CYS 9 3.218 0.880 2.605 58 HA CYS 9 HA CYS 9 1.271 -1.177 1.702 59 HB2 CYS 9 1HB CYS 9 3.685 -1.302 0.831 60 HB3 CYS 9 2HB CYS 9 4.089 -1.792 2.487 61 H VAL 10 H VAL 10 1.596 -3.116 3.389 62 HA VAL 10 HA VAL 10 0.055 -2.850 5.418 63 HB VAL 10 HB VAL 10 1.600 -4.482 6.725 64 HG11 VAL 10 1HG1 VAL 10 -0.265 -5.179 5.307 65 HG12 VAL 10 2HG1 VAL 10 1.123 -6.272 5.113 66 HG13 VAL 10 3HG1 VAL 10 0.732 -5.017 3.837 67 HG21 VAL 10 1HG2 VAL 10 3.201 -4.486 4.129 68 HG22 VAL 10 2HG2 VAL 10 3.530 -5.352 5.651 69 HG23 VAL 10 3HG2 VAL 10 3.739 -3.589 5.597 70 HA PRO 11 HA PRO 11 -1.224 -2.486 7.432 71 HB2 PRO 11 1HB PRO 11 -1.523 0.359 8.322 72 HB3 PRO 11 2HB PRO 11 -2.239 -1.147 8.995 73 HG2 PRO 11 1HG PRO 11 -0.292 0.015 10.247 74 HG3 PRO 11 2HG PRO 11 -0.229 -1.733 9.998 75 HD2 PRO 11 1HD PRO 11 1.190 0.373 8.391 76 HD3 PRO 11 2HD PRO 11 1.872 -1.119 9.114 77 H CYS 12 H CYS 12 -3.319 -1.555 6.721 78 HA CYS 12 HA CYS 12 -3.258 0.540 4.662 79 HB2 CYS 12 1HB CYS 12 -2.995 -1.622 3.371 80 HB3 CYS 12 2HB CYS 12 -4.357 -2.285 4.302 81 HN1 NH2 13 1H NH2 13 -6.472 1.311 5.823 82 HN2 NH2 13 2H NH2 13 -5.163 1.748 4.764
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