NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15316 | 1xy6 | 6424 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H TYR 1 1H TYR 1 5.871 0.852 0.582 2 HA TYR 1 HA TYR 1 5.068 0.275 -1.593 3 2HB TYR 1 2HB TYR 1 6.881 -1.067 -2.420 4 HD1 TYR 1 HD1 TYR 1 8.633 -0.678 -0.563 5 HD2 TYR 1 HD2 TYR 1 6.048 -4.088 -0.680 6 HE1 TYR 1 HE1 TYR 1 10.210 -1.937 0.982 7 HE2 TYR 1 HE2 TYR 1 7.635 -5.333 0.866 8 HH TYR 1 HH TYR 1 10.386 -3.702 2.323 9 H CYS 2 H CYS 2 3.430 -1.652 -2.114 10 HA CYS 2 HA CYS 2 1.590 -2.684 -1.513 11 2HB CYS 2 2HB CYS 2 1.645 -4.055 0.625 12 H LYS 3 H LYS 3 2.145 -2.300 1.955 13 HA LYS 3 HA LYS 3 -0.170 -0.656 2.177 14 2HB LYS 3 2HB LYS 3 0.614 -2.494 3.772 15 2HG LYS 3 2HG LYS 3 2.948 -1.057 3.909 16 2HD LYS 3 2HD LYS 3 1.985 -0.470 6.636 17 2HE LYS 3 2HE LYS 3 2.985 1.869 5.509 18 1HZ LYS 3 1HZ LYS 3 5.078 1.112 6.547 19 2HZ LYS 3 2HZ LYS 3 3.809 0.828 7.530 20 H PHE 4 H PHE 4 -0.321 1.536 2.291 21 HA PHE 4 HA PHE 4 0.301 3.646 2.111 22 2HB PHE 4 2HB PHE 4 2.716 2.951 3.847 23 HD1 PHE 4 HD1 PHE 4 -0.454 4.788 4.487 24 HD2 PHE 4 HD2 PHE 4 3.745 5.044 3.925 25 HE1 PHE 4 HE1 PHE 4 -0.518 7.216 5.119 26 HE2 PHE 4 HE2 PHE 4 3.680 7.473 4.557 27 HZ PHE 4 HZ PHE 4 1.550 8.530 5.147 28 H GLU 5 H GLU 5 0.912 3.363 -0.172 29 HA GLU 5 HA GLU 5 3.752 3.075 -0.611 30 1HB GLU 5 1HB GLU 5 3.231 2.603 -2.859 31 2HB GLU 5 2HB GLU 5 1.883 1.901 -1.987 32 1HG GLU 5 1HG GLU 5 0.645 4.139 -2.353 33 2HG GLU 5 2HG GLU 5 1.937 4.573 -3.456 34 H DTR 6 H DTR 6 1.800 5.540 0.331 35 HA DTR 6 HA DTR 6 2.872 7.572 -1.515 36 1HB DTR 6 1HB DTR 6 3.948 8.753 0.191 37 2HB DTR 6 2HB DTR 6 3.214 7.797 1.462 38 HD1 DTR 6 HD1 DTR 6 4.879 6.081 2.496 39 HE1 DTR 6 HE1 DTR 6 7.047 4.746 1.797 40 HZ2 DTR 6 HZ2 DTR 6 8.533 4.545 -0.631 41 HH2 DTR 6 HH2 DTR 6 8.567 5.392 -3.007 42 HZ3 DTR 6 HZ3 DTR 6 6.839 6.941 -3.773 43 HE3 DTR 6 HE3 DTR 6 4.998 7.755 -2.304 44 H IAM 7 H IAM 7 0.173 6.486 -1.182 45 HA IAM 7 HA IAM 7 -1.113 8.844 -0.051 46 HB IAM 7 HB IAM 7 -1.809 8.338 -2.305 47 HD1 IAM 7 HD1 IAM 7 -3.633 5.454 -1.027 48 HE1 IAM 7 HE1 IAM 7 -6.109 5.447 -0.612 49 HE2 IAM 7 HE2 IAM 7 -6.214 9.652 -1.170 50 HD2 IAM 7 HD2 IAM 7 -3.738 9.657 -1.584 51 1HT IAM 7 1HT IAM 7 -8.253 8.407 -1.069 52 2HT IAM 7 2HT IAM 7 -7.998 7.561 0.440 53 HH IAM 7 HH IAM 7 -9.079 5.765 -0.653 54 HI IAM 7 HI IAM 7 -7.015 5.545 -2.561 55 1HB IAM 7 1HB IAM 7 -1.757 6.610 -2.024 56 1HK1 IAM 7 1HK1 IAM 7 -9.169 7.429 -3.543 57 2HK1 IAM 7 2HK1 IAM 7 -7.517 7.883 -3.197 58 3HK1 IAM 7 3HK1 IAM 7 -7.863 6.784 -4.512 59 1HK2 IAM 7 1HK2 IAM 7 -8.485 3.812 -2.813 60 2HK2 IAM 7 2HK2 IAM 7 -9.886 4.817 -2.535 61 3HK2 IAM 7 3HK2 IAM 7 -9.097 4.831 -4.094 62 H THR 8 H THR 8 -1.823 5.276 -0.247 63 HA THR 8 HA THR 8 -2.003 4.918 2.520 64 HB THR 8 HB THR 8 -4.153 6.430 1.552 65 HG1 THR 8 HG1 THR 8 -4.016 4.427 3.697 66 1HG2 THR 8 1HG2 THR 8 -5.161 3.611 2.138 67 2HG2 THR 8 2HG2 THR 8 -6.101 5.016 1.584 68 3HG2 THR 8 3HG2 THR 8 -4.975 4.205 0.469 69 H PHE 9 H PHE 9 -3.224 2.778 3.026 70 HA PHE 9 HA PHE 9 -2.036 0.738 1.814 71 2HB PHE 9 2HB PHE 9 -3.420 0.324 3.736 72 HD1 PHE 9 HD1 PHE 9 -4.274 2.432 4.649 73 HD2 PHE 9 HD2 PHE 9 -6.409 0.313 1.657 74 HE1 PHE 9 HE1 PHE 9 -6.327 3.782 5.160 75 HE2 PHE 9 HE2 PHE 9 -8.464 1.661 2.168 76 HZ PHE 9 HZ PHE 9 -8.398 3.379 3.914 77 H LYS 10 H LYS 10 -1.745 0.735 -0.426 78 HA LYS 10 HA LYS 10 -4.057 -0.102 -1.929 79 1HB LYS 10 1HB LYS 10 -4.037 1.617 -3.556 80 2HB LYS 10 2HB LYS 10 -4.106 2.414 -1.997 81 1HG LYS 10 1HG LYS 10 -1.566 2.665 -2.098 82 2HG LYS 10 2HG LYS 10 -1.621 2.035 -3.732 83 1HD LYS 10 1HD LYS 10 -3.586 4.042 -3.752 84 2HD LYS 10 2HD LYS 10 -2.333 4.722 -2.736 85 1HE LYS 10 1HE LYS 10 -1.817 3.521 -5.499 86 2HE LYS 10 2HE LYS 10 -2.058 5.232 -5.207 87 1HZ LYS 10 1HZ LYS 10 0.343 4.158 -5.158 88 H SER 11 H SER 11 -3.444 -1.084 -3.993 89 HA SER 11 HA SER 11 -2.176 -2.291 -5.275 90 2HB SER 11 2HB SER 11 0.517 -1.482 -4.767 91 HG SER 11 HG SER 11 0.390 -1.034 -6.867 92 H CYS 12 H CYS 12 -1.157 -4.345 -5.138 93 HA CYS 12 HA CYS 12 -0.448 -6.176 -4.160 94 2HB CYS 12 2HB CYS 12 1.283 -4.095 -2.930 Start of MODEL 2 1 1H TYR 1 1H TYR 1 -0.230 -8.029 2.278 2 HA TYR 1 HA TYR 1 -1.688 -7.074 -0.052 3 2HB TYR 1 2HB TYR 1 -2.407 -5.912 2.531 4 HD1 TYR 1 HD1 TYR 1 -4.558 -5.269 1.923 5 HD2 TYR 1 HD2 TYR 1 -3.258 -9.248 1.035 6 HE1 TYR 1 HE1 TYR 1 -6.883 -5.847 1.073 7 HE2 TYR 1 HE2 TYR 1 -5.590 -9.812 0.189 8 HH TYR 1 HH TYR 1 -8.165 -7.359 0.231 9 H CYS 2 H CYS 2 1.216 -6.284 0.746 10 HA CYS 2 HA CYS 2 2.458 -4.470 0.898 11 2HB CYS 2 2HB CYS 2 1.059 -2.440 -0.380 12 H LYS 3 H LYS 3 2.020 -1.735 1.247 13 HA LYS 3 HA LYS 3 -0.040 -0.996 2.921 14 2HB LYS 3 2HB LYS 3 2.028 -1.122 4.904 15 2HG LYS 3 2HG LYS 3 0.258 -2.285 6.170 16 2HD LYS 3 2HD LYS 3 -1.426 -0.587 6.109 17 2HE LYS 3 2HE LYS 3 0.730 1.013 4.751 18 1HZ LYS 3 1HZ LYS 3 -0.083 1.514 7.480 19 2HZ LYS 3 2HZ LYS 3 0.001 2.552 6.227 20 H PHE 4 H PHE 4 -0.054 1.111 2.372 21 HA PHE 4 HA PHE 4 0.632 3.204 2.160 22 2HB PHE 4 2HB PHE 4 3.491 2.717 2.882 23 HD1 PHE 4 HD1 PHE 4 2.319 3.477 5.894 24 HD2 PHE 4 HD2 PHE 4 2.315 5.191 2.011 25 HE1 PHE 4 HE1 PHE 4 2.069 5.764 6.902 26 HE2 PHE 4 HE2 PHE 4 2.066 7.475 3.019 27 HZ PHE 4 HZ PHE 4 1.946 7.734 5.452 28 H GLU 5 H GLU 5 0.487 3.240 -0.109 29 HA GLU 5 HA GLU 5 2.884 2.431 -1.528 30 1HB GLU 5 1HB GLU 5 1.552 2.106 -3.415 31 2HB GLU 5 2HB GLU 5 0.419 1.721 -2.133 32 1HG GLU 5 1HG GLU 5 -0.387 4.136 -2.208 33 2HG GLU 5 2HG GLU 5 0.651 4.392 -3.597 34 H DTR 6 H DTR 6 1.447 5.184 -0.147 35 HA DTR 6 HA DTR 6 2.437 7.059 -2.186 36 1HB DTR 6 1HB DTR 6 3.871 8.146 -0.576 37 2HB DTR 6 2HB DTR 6 3.438 6.986 0.665 38 HD1 DTR 6 HD1 DTR 6 5.449 5.368 1.012 39 HE1 DTR 6 HE1 DTR 6 7.244 4.091 -0.438 40 HZ2 DTR 6 HZ2 DTR 6 7.823 4.015 -3.233 41 HH2 DTR 6 HH2 DTR 6 7.056 4.967 -5.439 42 HZ3 DTR 6 HZ3 DTR 6 5.178 6.530 -5.503 43 HE3 DTR 6 HE3 DTR 6 3.944 7.256 -3.463 44 H IAM 7 H IAM 7 -0.231 6.777 -1.778 45 HA IAM 7 HA IAM 7 -0.902 9.100 -0.207 46 HB IAM 7 HB IAM 7 -2.895 7.268 -1.577 47 HD1 IAM 7 HD1 IAM 7 -3.203 7.040 -3.928 48 HE1 IAM 7 HE1 IAM 7 -2.182 7.089 -6.223 49 HE2 IAM 7 HE2 IAM 7 1.082 9.348 -4.722 50 HD2 IAM 7 HD2 IAM 7 0.059 9.302 -2.429 51 1HT IAM 7 1HT IAM 7 0.886 9.008 -7.039 52 2HT IAM 7 2HT IAM 7 -0.629 8.463 -7.726 53 HH IAM 7 HH IAM 7 1.726 6.873 -7.570 54 HI IAM 7 HI IAM 7 -0.593 5.689 -6.260 55 1HB IAM 7 1HB IAM 7 -2.884 9.018 -1.537 56 1HK1 IAM 7 1HK1 IAM 7 1.328 4.479 -8.259 57 2HK1 IAM 7 2HK1 IAM 7 1.556 4.491 -6.527 58 3HK1 IAM 7 3HK1 IAM 7 0.240 3.581 -7.228 59 1HK2 IAM 7 1HK2 IAM 7 -1.412 6.675 -8.582 60 2HK2 IAM 7 2HK2 IAM 7 -0.710 5.199 -9.194 61 3HK2 IAM 7 3HK2 IAM 7 -1.990 5.130 -8.008 62 H THR 8 H THR 8 -1.884 5.606 -0.386 63 HA THR 8 HA THR 8 -2.021 5.338 2.405 64 HB THR 8 HB THR 8 -4.148 6.828 1.500 65 HG1 THR 8 HG1 THR 8 -4.310 4.654 3.455 66 1HG2 THR 8 1HG2 THR 8 -5.044 3.899 1.607 67 2HG2 THR 8 2HG2 THR 8 -6.127 5.310 1.551 68 3HG2 THR 8 3HG2 THR 8 -5.088 4.928 0.157 69 H PHE 9 H PHE 9 -3.121 3.192 3.014 70 HA PHE 9 HA PHE 9 -1.923 1.139 1.853 71 2HB PHE 9 2HB PHE 9 -4.646 1.568 3.136 72 HD1 PHE 9 HD1 PHE 9 -2.573 -1.384 2.133 73 HD2 PHE 9 HD2 PHE 9 -6.455 0.207 2.769 74 HE1 PHE 9 HE1 PHE 9 -3.584 -3.585 1.468 75 HE2 PHE 9 HE2 PHE 9 -7.466 -1.993 2.104 76 HZ PHE 9 HZ PHE 9 -6.017 -3.862 1.462 77 H LYS 10 H LYS 10 -1.669 0.939 -0.364 78 HA LYS 10 HA LYS 10 -4.092 0.239 -1.814 79 1HB LYS 10 1HB LYS 10 -2.212 2.477 -2.591 80 2HB LYS 10 2HB LYS 10 -3.230 1.660 -3.761 81 1HG LYS 10 1HG LYS 10 -5.052 2.189 -1.740 82 2HG LYS 10 2HG LYS 10 -3.983 3.572 -1.608 83 1HD LYS 10 1HD LYS 10 -5.681 2.711 -3.962 84 2HD LYS 10 2HD LYS 10 -5.594 4.283 -3.192 85 1HE LYS 10 1HE LYS 10 -3.834 3.103 -5.296 86 2HE LYS 10 2HE LYS 10 -4.303 4.773 -5.044 87 1HZ LYS 10 1HZ LYS 10 -1.952 4.446 -4.535 88 H SER 11 H SER 11 -3.705 -1.802 -2.473 89 HA SER 11 HA SER 11 -1.439 -3.145 -2.385 90 2HB SER 11 2HB SER 11 -3.399 -4.338 -2.980 91 HG SER 11 HG SER 11 -3.560 -2.965 -5.511 92 H CYS 12 H CYS 12 0.587 -2.935 -3.256 93 HA CYS 12 HA CYS 12 1.154 -0.970 -5.142 94 2HB CYS 12 2HB CYS 12 3.383 -1.681 -5.028 Start of MODEL 3 1 1H TYR 1 1H TYR 1 7.010 -5.561 -0.964 2 HA TYR 1 HA TYR 1 6.233 -4.347 0.772 3 2HB TYR 1 2HB TYR 1 6.292 -1.652 -0.353 4 HD1 TYR 1 HD1 TYR 1 5.599 -2.149 2.257 5 HD2 TYR 1 HD2 TYR 1 9.570 -2.069 0.667 6 HE1 TYR 1 HE1 TYR 1 6.523 -1.640 4.571 7 HE2 TYR 1 HE2 TYR 1 10.481 -1.560 2.986 8 HH TYR 1 HH TYR 1 9.913 -1.750 5.221 9 H CYS 2 H CYS 2 4.144 -3.461 1.298 10 HA CYS 2 HA CYS 2 2.502 -2.552 -0.874 11 2HB CYS 2 2HB CYS 2 0.793 -4.243 -0.669 12 H LYS 3 H LYS 3 0.233 -1.979 0.081 13 HA LYS 3 HA LYS 3 -1.024 -1.008 1.618 14 2HB LYS 3 2HB LYS 3 -0.794 -1.589 3.988 15 2HG LYS 3 2HG LYS 3 -0.953 -4.078 3.739 16 2HD LYS 3 2HD LYS 3 -2.729 -2.273 2.814 17 2HE LYS 3 2HE LYS 3 -1.352 -3.290 0.417 18 1HZ LYS 3 1HZ LYS 3 -4.305 -3.366 0.319 19 2HZ LYS 3 2HZ LYS 3 -3.250 -3.920 -0.792 20 H PHE 4 H PHE 4 0.732 0.573 0.300 21 HA PHE 4 HA PHE 4 0.880 2.841 1.709 22 2HB PHE 4 2HB PHE 4 3.672 2.384 1.964 23 HD1 PHE 4 HD1 PHE 4 2.940 0.694 4.761 24 HD2 PHE 4 HD2 PHE 4 1.998 4.434 2.991 25 HE1 PHE 4 HE1 PHE 4 2.487 1.656 7.034 26 HE2 PHE 4 HE2 PHE 4 1.546 5.396 5.265 27 HZ PHE 4 HZ PHE 4 1.796 3.996 7.260 28 H GLU 5 H GLU 5 0.599 3.825 -0.288 29 HA GLU 5 HA GLU 5 2.811 3.450 -2.151 30 1HB GLU 5 1HB GLU 5 1.340 3.580 -3.954 31 2HB GLU 5 2HB GLU 5 0.331 2.776 -2.767 32 1HG GLU 5 1HG GLU 5 -0.563 5.068 -2.085 33 2HG GLU 5 2HG GLU 5 0.330 5.757 -3.426 34 H DTR 6 H DTR 6 1.326 5.567 0.066 35 HA DTR 6 HA DTR 6 2.071 8.022 -1.375 36 1HB DTR 6 1HB DTR 6 3.549 8.694 0.409 37 2HB DTR 6 2HB DTR 6 3.265 7.197 1.275 38 HD1 DTR 6 HD1 DTR 6 5.381 5.696 1.032 39 HE1 DTR 6 HE1 DTR 6 7.141 5.028 -0.815 40 HZ2 DTR 6 HZ2 DTR 6 7.530 5.807 -3.534 41 HH2 DTR 6 HH2 DTR 6 6.564 7.299 -5.323 42 HZ3 DTR 6 HZ3 DTR 6 4.604 8.673 -4.833 43 HE3 DTR 6 HE3 DTR 6 3.474 8.687 -2.611 44 H IAM 7 H IAM 7 -0.532 7.551 -0.988 45 HA IAM 7 HA IAM 7 -1.227 9.235 1.230 46 HB IAM 7 HB IAM 7 -3.181 7.691 -0.516 47 HD1 IAM 7 HD1 IAM 7 -3.596 8.085 -2.814 48 HE1 IAM 7 HE1 IAM 7 -2.756 8.922 -5.027 49 HE2 IAM 7 HE2 IAM 7 0.318 11.076 -3.046 50 HD2 IAM 7 HD2 IAM 7 -0.525 10.241 -0.833 51 1HT IAM 7 1HT IAM 7 -0.004 11.387 -5.353 52 2HT IAM 7 2HT IAM 7 -1.489 10.862 -6.117 53 HH IAM 7 HH IAM 7 1.095 9.544 -6.333 54 HI IAM 7 HI IAM 7 -1.287 7.904 -5.923 55 1HB IAM 7 1HB IAM 7 -3.315 9.341 0.055 56 1HK1 IAM 7 1HK1 IAM 7 0.982 7.570 -7.895 57 2HK1 IAM 7 2HK1 IAM 7 0.963 6.934 -6.269 58 3HK1 IAM 7 3HK1 IAM 7 -0.170 6.332 -7.455 59 1HK2 IAM 7 1HK2 IAM 7 -2.540 8.387 -7.717 60 2HK2 IAM 7 2HK2 IAM 7 -1.467 9.719 -8.073 61 3HK2 IAM 7 3HK2 IAM 7 -1.174 8.148 -8.777 62 H THR 8 H THR 8 -1.836 5.819 0.184 63 HA THR 8 HA THR 8 -1.856 4.856 2.817 64 HB THR 8 HB THR 8 -4.212 6.227 2.222 65 HG1 THR 8 HG1 THR 8 -3.923 3.787 3.817 66 1HG2 THR 8 1HG2 THR 8 -4.845 3.246 2.122 67 2HG2 THR 8 2HG2 THR 8 -5.957 4.614 1.878 68 3HG2 THR 8 3HG2 THR 8 -4.747 4.218 0.635 69 H PHE 9 H PHE 9 -2.847 2.510 2.829 70 HA PHE 9 HA PHE 9 -1.403 0.922 1.285 71 2HB PHE 9 2HB PHE 9 -2.761 -0.167 2.893 72 HD1 PHE 9 HD1 PHE 9 -3.679 1.383 4.494 73 HD2 PHE 9 HD2 PHE 9 -5.749 0.548 0.886 74 HE1 PHE 9 HE1 PHE 9 -5.742 2.466 5.429 75 HE2 PHE 9 HE2 PHE 9 -7.813 1.631 1.819 76 HZ PHE 9 HZ PHE 9 -7.783 2.575 4.079 77 H LYS 10 H LYS 10 -1.011 1.068 -0.885 78 HA LYS 10 HA LYS 10 -3.259 0.642 -2.645 79 1HB LYS 10 1HB LYS 10 -1.863 3.254 -2.420 80 2HB LYS 10 2HB LYS 10 -2.105 2.654 -4.047 81 1HG LYS 10 1HG LYS 10 -4.359 3.011 -3.970 82 2HG LYS 10 2HG LYS 10 -4.507 2.288 -2.381 83 1HD LYS 10 1HD LYS 10 -5.017 4.470 -1.803 84 2HD LYS 10 2HD LYS 10 -3.278 4.561 -1.620 85 1HE LYS 10 1HE LYS 10 -4.331 5.075 -4.380 86 2HE LYS 10 2HE LYS 10 -4.720 6.286 -3.176 87 1HZ LYS 10 1HZ LYS 10 -2.213 5.793 -4.414 88 H SER 11 H SER 11 -2.242 -1.415 -2.936 89 HA SER 11 HA SER 11 -0.561 -1.534 -5.078 90 2HB SER 11 2HB SER 11 1.125 -2.447 -2.785 91 HG SER 11 HG SER 11 1.892 -0.798 -5.015 92 H CYS 12 H CYS 12 -0.386 -3.306 -1.902 93 HA CYS 12 HA CYS 12 -2.092 -5.370 -2.910 94 2HB CYS 12 2HB CYS 12 -0.512 -6.636 -3.815 Start of MODEL 4 1 1H TYR 1 1H TYR 1 5.463 -3.265 4.954 2 HA TYR 1 HA TYR 1 5.644 -4.346 2.910 3 2HB TYR 1 2HB TYR 1 2.762 -4.772 2.865 4 HD1 TYR 1 HD1 TYR 1 3.564 -6.408 5.776 5 HD2 TYR 1 HD2 TYR 1 4.623 -6.422 1.631 6 HE1 TYR 1 HE1 TYR 1 4.328 -8.826 5.972 7 HE2 TYR 1 HE2 TYR 1 5.385 -8.838 1.841 8 HH TYR 1 HH TYR 1 5.504 -10.426 4.977 9 H CYS 2 H CYS 2 3.540 -4.895 1.033 10 HA CYS 2 HA CYS 2 4.043 -3.061 -0.895 11 2HB CYS 2 2HB CYS 2 3.122 -5.037 -1.641 12 H LYS 3 H LYS 3 1.039 -3.278 1.162 13 HA LYS 3 HA LYS 3 -0.278 -1.091 0.327 14 2HB LYS 3 2HB LYS 3 -1.218 -0.961 2.621 15 2HG LYS 3 2HG LYS 3 -1.132 -3.855 2.469 16 2HD LYS 3 2HD LYS 3 -3.040 -1.906 2.791 17 2HE LYS 3 2HE LYS 3 -2.768 -1.807 0.082 18 1HZ LYS 3 1HZ LYS 3 -3.449 -3.959 -0.482 19 2HZ LYS 3 2HZ LYS 3 -4.578 -4.058 0.686 20 H PHE 4 H PHE 4 -0.512 1.127 1.336 21 HA PHE 4 HA PHE 4 0.322 3.099 1.860 22 2HB PHE 4 2HB PHE 4 2.792 1.729 3.020 23 HD1 PHE 4 HD1 PHE 4 4.094 3.268 4.115 24 HD2 PHE 4 HD2 PHE 4 -0.098 3.914 3.959 25 HE1 PHE 4 HE1 PHE 4 4.377 5.408 5.395 26 HE2 PHE 4 HE2 PHE 4 0.186 6.056 5.240 27 HZ PHE 4 HZ PHE 4 2.420 6.777 5.941 28 H GLU 5 H GLU 5 0.721 3.702 -0.328 29 HA GLU 5 HA GLU 5 3.500 3.336 -1.136 30 1HB GLU 5 1HB GLU 5 2.823 3.214 -3.371 31 2HB GLU 5 2HB GLU 5 1.495 2.412 -2.560 32 1HG GLU 5 1HG GLU 5 0.389 4.790 -2.459 33 2HG GLU 5 2HG GLU 5 1.583 5.246 -3.658 34 H DTR 6 H DTR 6 1.697 5.495 0.474 35 HA DTR 6 HA DTR 6 2.698 7.868 -1.001 36 1HB DTR 6 1HB DTR 6 3.628 8.721 0.953 37 2HB DTR 6 2HB DTR 6 2.787 7.578 1.984 38 HD1 DTR 6 HD1 DTR 6 4.522 5.912 2.983 39 HE1 DTR 6 HE1 DTR 6 6.692 4.612 2.231 40 HZ2 DTR 6 HZ2 DTR 6 8.197 4.537 -0.192 41 HH2 DTR 6 HH2 DTR 6 8.252 5.508 -2.520 42 HZ3 DTR 6 HZ3 DTR 6 6.533 7.100 -3.215 43 HE3 DTR 6 HE3 DTR 6 4.681 7.840 -1.719 44 H IAM 7 H IAM 7 0.158 7.424 -1.562 45 HA IAM 7 HA IAM 7 -1.314 9.359 -0.240 46 HB IAM 7 HB IAM 7 -1.996 8.717 -2.443 47 HD1 IAM 7 HD1 IAM 7 -4.028 9.901 -1.695 48 HE1 IAM 7 HE1 IAM 7 -6.499 9.691 -1.304 49 HE2 IAM 7 HE2 IAM 7 -6.059 5.503 -0.773 50 HD2 IAM 7 HD2 IAM 7 -3.589 5.715 -1.165 51 1HT IAM 7 1HT IAM 7 -8.338 8.425 -0.571 52 2HT IAM 7 2HT IAM 7 -8.104 6.806 0.054 53 HH IAM 7 HH IAM 7 -8.987 7.524 -2.687 54 HI IAM 7 HI IAM 7 -7.629 5.023 -2.040 55 1HB IAM 7 1HB IAM 7 -1.798 7.009 -2.105 56 1HK1 IAM 7 1HK1 IAM 7 -10.065 5.515 -3.764 57 2HK1 IAM 7 2HK1 IAM 7 -8.409 5.575 -4.322 58 3HK1 IAM 7 3HK1 IAM 7 -9.093 4.064 -3.773 59 1HK2 IAM 7 1HK2 IAM 7 -9.949 3.866 -1.586 60 2HK2 IAM 7 2HK2 IAM 7 -9.049 4.573 -0.268 61 3HK2 IAM 7 3HK2 IAM 7 -10.385 5.446 -0.981 62 H THR 8 H THR 8 -1.900 5.764 -0.194 63 HA THR 8 HA THR 8 -2.138 5.595 2.584 64 HB THR 8 HB THR 8 -4.322 6.950 1.437 65 HG1 THR 8 HG1 THR 8 -4.263 5.186 3.776 66 1HG2 THR 8 1HG2 THR 8 -5.291 4.221 2.365 67 2HG2 THR 8 2HG2 THR 8 -6.204 5.494 1.519 68 3HG2 THR 8 3HG2 THR 8 -5.002 4.525 0.635 69 H PHE 9 H PHE 9 -3.637 3.484 3.086 70 HA PHE 9 HA PHE 9 -2.265 1.367 2.145 71 2HB PHE 9 2HB PHE 9 -4.231 0.075 2.964 72 HD1 PHE 9 HD1 PHE 9 -2.528 0.178 4.801 73 HD2 PHE 9 HD2 PHE 9 -5.535 3.137 4.346 74 HE1 PHE 9 HE1 PHE 9 -2.152 0.923 7.169 75 HE2 PHE 9 HE2 PHE 9 -5.160 3.882 6.715 76 HZ PHE 9 HZ PHE 9 -3.473 2.766 8.097 77 H LYS 10 H LYS 10 -1.802 1.179 -0.052 78 HA LYS 10 HA LYS 10 -3.896 0.124 -1.664 79 1HB LYS 10 1HB LYS 10 -4.087 1.781 -3.321 80 2HB LYS 10 2HB LYS 10 -4.262 2.633 -1.800 81 1HG LYS 10 1HG LYS 10 -1.674 3.033 -1.961 82 2HG LYS 10 2HG LYS 10 -1.844 2.563 -3.640 83 1HD LYS 10 1HD LYS 10 -3.906 4.510 -2.840 84 2HD LYS 10 2HD LYS 10 -2.290 5.131 -2.568 85 1HE LYS 10 1HE LYS 10 -2.996 3.789 -5.203 86 2HE LYS 10 2HE LYS 10 -3.396 5.473 -4.928 87 1HZ LYS 10 1HZ LYS 10 -1.113 6.007 -4.663 88 H SER 11 H SER 11 -2.720 -1.688 -2.125 89 HA SER 11 HA SER 11 -0.666 -1.461 -3.983 90 2HB SER 11 2HB SER 11 0.405 -2.585 -1.388 91 HG SER 11 HG SER 11 1.497 -1.459 -3.806 92 H CYS 12 H CYS 12 0.575 -3.866 -3.949 93 HA CYS 12 HA CYS 12 0.162 -5.945 -4.581 94 2HB CYS 12 2HB CYS 12 0.530 -6.898 -2.611 Start of MODEL 5 1 1H TYR 1 1H TYR 1 1.295 -7.174 -4.593 2 HA TYR 1 HA TYR 1 0.185 -6.273 -2.763 3 2HB TYR 1 2HB TYR 1 1.149 -8.490 -1.120 4 HD1 TYR 1 HD1 TYR 1 -0.911 -8.339 0.064 5 HD2 TYR 1 HD2 TYR 1 -0.927 -8.937 -4.173 6 HE1 TYR 1 HE1 TYR 1 -3.403 -8.836 0.135 7 HE2 TYR 1 HE2 TYR 1 -3.419 -9.432 -4.087 8 HH TYR 1 HH TYR 1 -5.312 -8.887 -2.631 9 H CYS 2 H CYS 2 0.709 -4.518 -1.548 10 HA CYS 2 HA CYS 2 2.091 -4.799 0.828 11 2HB CYS 2 2HB CYS 2 4.220 -4.773 0.196 12 H LYS 3 H LYS 3 1.216 -3.167 2.075 13 HA LYS 3 HA LYS 3 -0.267 -1.109 0.729 14 2HB LYS 3 2HB LYS 3 -1.006 -0.522 3.002 15 2HG LYS 3 2HG LYS 3 -2.015 -2.768 3.586 16 2HD LYS 3 2HD LYS 3 -2.082 -2.407 0.573 17 2HE LYS 3 2HE LYS 3 -4.624 -2.610 1.211 18 1HZ LYS 3 1HZ LYS 3 -3.293 -5.127 1.794 19 2HZ LYS 3 2HZ LYS 3 -4.413 -4.796 0.657 20 H PHE 4 H PHE 4 -0.001 1.114 2.361 21 HA PHE 4 HA PHE 4 1.187 2.965 2.516 22 2HB PHE 4 2HB PHE 4 3.751 2.362 3.158 23 HD1 PHE 4 HD1 PHE 4 2.927 0.089 5.437 24 HD2 PHE 4 HD2 PHE 4 1.707 4.002 4.334 25 HE1 PHE 4 HE1 PHE 4 2.125 0.500 7.778 26 HE2 PHE 4 HE2 PHE 4 0.904 4.412 6.677 27 HZ PHE 4 HZ PHE 4 1.123 2.655 8.370 28 H GLU 5 H GLU 5 0.925 3.453 0.219 29 HA GLU 5 HA GLU 5 3.349 2.910 -1.306 30 1HB GLU 5 1HB GLU 5 0.764 3.905 -2.529 31 2HB GLU 5 2HB GLU 5 2.058 3.001 -3.290 32 1HG GLU 5 1HG GLU 5 1.453 1.079 -1.635 33 2HG GLU 5 2HG GLU 5 -0.014 1.980 -1.309 34 H DTR 6 H DTR 6 1.607 5.321 0.417 35 HA DTR 6 HA DTR 6 3.090 7.477 -0.992 36 1HB DTR 6 1HB DTR 6 3.832 8.231 0.988 37 2HB DTR 6 2HB DTR 6 2.382 7.759 1.853 38 HD1 DTR 6 HD1 DTR 6 2.958 5.964 3.647 39 HE1 DTR 6 HE1 DTR 6 4.597 3.921 3.961 40 HZ2 DTR 6 HZ2 DTR 6 6.606 2.741 2.314 41 HH2 DTR 6 HH2 DTR 6 7.704 2.975 0.055 42 HZ3 DTR 6 HZ3 DTR 6 6.996 4.756 -1.462 43 HE3 DTR 6 HE3 DTR 6 5.206 6.394 -0.893 44 H IAM 7 H IAM 7 0.394 6.557 -1.708 45 HA IAM 7 HA IAM 7 -1.041 8.972 -1.208 46 HB IAM 7 HB IAM 7 -1.232 7.914 -3.385 47 HD1 IAM 7 HD1 IAM 7 -3.104 9.428 -3.612 48 HE1 IAM 7 HE1 IAM 7 -5.594 9.662 -3.820 49 HE2 IAM 7 HE2 IAM 7 -6.102 5.864 -1.997 50 HD2 IAM 7 HD2 IAM 7 -3.612 5.631 -1.790 51 1HT IAM 7 1HT IAM 7 -7.738 8.761 -3.666 52 2HT IAM 7 2HT IAM 7 -7.939 8.064 -2.074 53 HH IAM 7 HH IAM 7 -8.979 6.328 -3.334 54 HI IAM 7 HI IAM 7 -6.331 5.759 -4.361 55 1HB IAM 7 1HB IAM 7 -1.440 6.324 -2.681 56 1HK1 IAM 7 1HK1 IAM 7 -8.215 7.086 -6.322 57 2HK1 IAM 7 2HK1 IAM 7 -6.736 7.793 -5.710 58 3HK1 IAM 7 3HK1 IAM 7 -6.671 6.368 -6.723 59 1HK2 IAM 7 1HK2 IAM 7 -7.294 3.896 -5.224 60 2HK2 IAM 7 2HK2 IAM 7 -8.677 4.376 -4.273 61 3HK2 IAM 7 3HK2 IAM 7 -8.596 4.795 -5.966 62 H THR 8 H THR 8 -1.637 5.452 -0.511 63 HA THR 8 HA THR 8 -2.621 5.933 2.064 64 HB THR 8 HB THR 8 -4.455 6.706 0.067 65 HG1 THR 8 HG1 THR 8 -4.947 5.612 2.744 66 1HG2 THR 8 1HG2 THR 8 -4.767 4.071 -0.145 67 2HG2 THR 8 2HG2 THR 8 -5.570 4.238 1.436 68 3HG2 THR 8 3HG2 THR 8 -6.204 5.109 0.019 69 H PHE 9 H PHE 9 -4.128 3.847 2.684 70 HA PHE 9 HA PHE 9 -2.346 1.697 2.350 71 2HB PHE 9 2HB PHE 9 -5.218 1.228 3.121 72 HD1 PHE 9 HD1 PHE 9 -4.830 -1.041 3.609 73 HD2 PHE 9 HD2 PHE 9 -2.279 1.913 5.274 74 HE1 PHE 9 HE1 PHE 9 -3.788 -2.778 5.091 75 HE2 PHE 9 HE2 PHE 9 -1.236 0.176 6.757 76 HZ PHE 9 HZ PHE 9 -2.004 -2.148 6.649 77 H LYS 10 H LYS 10 -2.109 1.206 0.112 78 HA LYS 10 HA LYS 10 -4.394 -0.262 -0.951 79 1HB LYS 10 1HB LYS 10 -4.362 0.806 -3.051 80 2HB LYS 10 2HB LYS 10 -4.379 2.099 -1.868 81 1HG LYS 10 1HG LYS 10 -1.860 2.264 -2.074 82 2HG LYS 10 2HG LYS 10 -1.911 1.042 -3.330 83 1HD LYS 10 1HD LYS 10 -3.489 2.542 -4.642 84 2HD LYS 10 2HD LYS 10 -3.266 3.779 -3.422 85 1HE LYS 10 1HE LYS 10 -1.750 3.814 -5.580 86 2HE LYS 10 2HE LYS 10 -1.030 4.181 -4.026 87 1HZ LYS 10 1HZ LYS 10 0.367 2.488 -4.460 88 H SER 11 H SER 11 -3.793 -1.962 -2.429 89 HA SER 11 HA SER 11 -1.320 -3.089 -1.730 90 2HB SER 11 2HB SER 11 -3.082 -4.619 -2.159 91 HG SER 11 HG SER 11 -4.574 -3.557 -3.408 92 H CYS 12 H CYS 12 0.642 -3.143 -2.856 93 HA CYS 12 HA CYS 12 1.369 -1.159 -4.500 94 2HB CYS 12 2HB CYS 12 3.188 -2.693 -5.317 Start of MODEL 6 1 1H TYR 1 1H TYR 1 0.226 -6.238 -1.644 2 HA TYR 1 HA TYR 1 1.119 -6.883 1.086 3 2HB TYR 1 2HB TYR 1 3.179 -6.943 -0.987 4 HD1 TYR 1 HD1 TYR 1 3.358 -7.601 1.805 5 HD2 TYR 1 HD2 TYR 1 2.124 -10.094 -1.445 6 HE1 TYR 1 HE1 TYR 1 4.051 -9.665 3.117 7 HE2 TYR 1 HE2 TYR 1 2.820 -12.150 -0.122 8 HH TYR 1 HH TYR 1 3.275 -12.869 1.977 9 H CYS 2 H CYS 2 1.625 -4.814 -1.832 10 HA CYS 2 HA CYS 2 3.681 -3.284 -0.991 11 2HB CYS 2 2HB CYS 2 2.119 -1.407 -2.198 12 H LYS 3 H LYS 3 0.420 -1.756 -0.911 13 HA LYS 3 HA LYS 3 -0.556 -0.437 0.565 14 2HB LYS 3 2HB LYS 3 -0.308 -1.162 3.029 15 2HG LYS 3 2HG LYS 3 -1.634 -2.395 0.739 16 2HD LYS 3 2HD LYS 3 -0.177 -4.335 1.887 17 2HE LYS 3 2HE LYS 3 -2.262 -3.624 3.893 18 1HZ LYS 3 1HZ LYS 3 -1.722 -6.475 3.267 19 2HZ LYS 3 2HZ LYS 3 -2.702 -5.912 4.439 20 H PHE 4 H PHE 4 -0.193 1.243 2.343 21 HA PHE 4 HA PHE 4 0.902 3.137 2.764 22 2HB PHE 4 2HB PHE 4 1.685 1.816 4.634 23 HD1 PHE 4 HD1 PHE 4 1.211 -0.575 4.186 24 HD2 PHE 4 HD2 PHE 4 4.871 1.223 3.012 25 HE1 PHE 4 HE1 PHE 4 2.241 -2.848 3.919 26 HE2 PHE 4 HE2 PHE 4 5.903 -1.049 2.743 27 HZ PHE 4 HZ PHE 4 4.576 -3.058 3.200 28 H GLU 5 H GLU 5 1.073 3.622 0.371 29 HA GLU 5 HA GLU 5 3.826 3.364 -0.535 30 1HB GLU 5 1HB GLU 5 1.556 4.288 -2.306 31 2HB GLU 5 2HB GLU 5 3.036 3.462 -2.756 32 1HG GLU 5 1HG GLU 5 2.052 1.507 -1.224 33 2HG GLU 5 2HG GLU 5 0.526 2.313 -1.518 34 H DTR 6 H DTR 6 1.552 5.556 0.826 35 HA DTR 6 HA DTR 6 3.136 7.886 -0.121 36 1HB DTR 6 1HB DTR 6 3.414 8.558 2.002 37 2HB DTR 6 2HB DTR 6 1.860 7.944 2.530 38 HD1 DTR 6 HD1 DTR 6 2.201 6.085 4.321 39 HE1 DTR 6 HE1 DTR 6 3.892 4.133 4.863 40 HZ2 DTR 6 HZ2 DTR 6 6.267 3.181 3.598 41 HH2 DTR 6 HH2 DTR 6 7.768 3.619 1.618 42 HZ3 DTR 6 HZ3 DTR 6 7.245 5.440 0.074 43 HE3 DTR 6 HE3 DTR 6 5.262 6.925 0.348 44 H IAM 7 H IAM 7 0.681 6.778 -1.362 45 HA IAM 7 HA IAM 7 -0.988 9.079 -1.098 46 HB IAM 7 HB IAM 7 -0.804 8.153 -3.298 47 HD1 IAM 7 HD1 IAM 7 -2.873 5.321 -2.338 48 HE1 IAM 7 HE1 IAM 7 -5.313 5.127 -2.895 49 HE2 IAM 7 HE2 IAM 7 -5.355 9.186 -4.130 50 HD2 IAM 7 HD2 IAM 7 -2.915 9.381 -3.571 51 1HT IAM 7 1HT IAM 7 -7.427 7.984 -3.778 52 2HT IAM 7 2HT IAM 7 -7.425 6.326 -3.221 53 HH IAM 7 HH IAM 7 -7.599 7.143 -5.971 54 HI IAM 7 HI IAM 7 -5.898 4.887 -4.918 55 1HB IAM 7 1HB IAM 7 -0.808 6.505 -2.704 56 1HK1 IAM 7 1HK1 IAM 7 -6.454 5.730 -7.768 57 2HK1 IAM 7 2HK1 IAM 7 -4.996 6.099 -6.877 58 3HK1 IAM 7 3HK1 IAM 7 -5.375 4.442 -7.282 59 1HK2 IAM 7 1HK2 IAM 7 -7.403 3.481 -6.575 60 2HK2 IAM 7 2HK2 IAM 7 -7.906 3.747 -4.922 61 3HK2 IAM 7 3HK2 IAM 7 -8.577 4.723 -6.207 62 H THR 8 H THR 8 -1.492 5.503 -0.633 63 HA THR 8 HA THR 8 -3.000 5.886 1.725 64 HB THR 8 HB THR 8 -4.468 6.570 -0.496 65 HG1 THR 8 HG1 THR 8 -5.411 4.942 1.750 66 1HG2 THR 8 1HG2 THR 8 -5.139 3.651 0.141 67 2HG2 THR 8 2HG2 THR 8 -5.999 4.718 -0.995 68 3HG2 THR 8 3HG2 THR 8 -4.344 4.176 -1.364 69 H PHE 9 H PHE 9 -4.026 3.762 2.446 70 HA PHE 9 HA PHE 9 -2.060 1.777 2.206 71 2HB PHE 9 2HB PHE 9 -3.582 0.582 3.707 72 HD1 PHE 9 HD1 PHE 9 -1.757 2.269 4.751 73 HD2 PHE 9 HD2 PHE 9 -5.908 3.061 4.369 74 HE1 PHE 9 HE1 PHE 9 -1.605 3.960 6.601 75 HE2 PHE 9 HE2 PHE 9 -5.756 4.753 6.217 76 HZ PHE 9 HZ PHE 9 -3.606 5.182 7.312 77 H LYS 10 H LYS 10 -2.006 1.630 -0.231 78 HA LYS 10 HA LYS 10 -4.181 -0.093 -1.196 79 1HB LYS 10 1HB LYS 10 -3.957 0.822 -3.318 80 2HB LYS 10 2HB LYS 10 -3.760 2.213 -2.271 81 1HG LYS 10 1HG LYS 10 -1.201 1.723 -2.389 82 2HG LYS 10 2HG LYS 10 -1.586 0.649 -3.722 83 1HD LYS 10 1HD LYS 10 -2.680 2.536 -4.936 84 2HD LYS 10 2HD LYS 10 -2.327 3.613 -3.599 85 1HE LYS 10 1HE LYS 10 -0.685 3.312 -5.769 86 2HE LYS 10 2HE LYS 10 -0.122 3.847 -4.200 87 1HZ LYS 10 1HZ LYS 10 -0.031 1.188 -3.887 88 H SER 11 H SER 11 -3.701 -2.187 -1.598 89 HA SER 11 HA SER 11 -1.035 -3.033 -1.144 90 2HB SER 11 2HB SER 11 -2.865 -4.424 -0.359 91 HG SER 11 HG SER 11 -4.599 -4.202 -1.679 92 H CYS 12 H CYS 12 -0.051 -4.740 -2.780 93 HA CYS 12 HA CYS 12 -0.065 -3.420 -5.365 94 2HB CYS 12 2HB CYS 12 1.841 -5.449 -5.417 Start of MODEL 7 1 1H TYR 1 1H TYR 1 0.839 -6.081 1.827 2 HA TYR 1 HA TYR 1 3.534 -6.987 2.571 3 2HB TYR 1 2HB TYR 1 3.372 -6.290 -0.180 4 HD1 TYR 1 HD1 TYR 1 2.242 -9.120 2.016 5 HD2 TYR 1 HD2 TYR 1 4.550 -7.901 -1.375 6 HE1 TYR 1 HE1 TYR 1 3.133 -11.487 1.760 7 HE2 TYR 1 HE2 TYR 1 5.433 -10.273 -1.618 8 HH TYR 1 HH TYR 1 4.971 -12.626 0.831 9 H CYS 2 H CYS 2 1.980 -4.442 0.481 10 HA CYS 2 HA CYS 2 4.184 -2.690 1.212 11 2HB CYS 2 2HB CYS 2 3.976 -2.682 -1.086 12 H LYS 3 H LYS 3 0.558 -2.615 0.818 13 HA LYS 3 HA LYS 3 -0.951 -1.229 1.707 14 2HB LYS 3 2HB LYS 3 -0.803 -1.327 4.318 15 2HG LYS 3 2HG LYS 3 -2.283 -2.745 2.869 16 2HD LYS 3 2HD LYS 3 -0.989 -5.211 2.809 17 2HE LYS 3 2HE LYS 3 -0.515 -4.150 0.270 18 1HZ LYS 3 1HZ LYS 3 -1.846 -6.089 0.631 19 2HZ LYS 3 2HZ LYS 3 -2.984 -5.278 1.467 20 H PHE 4 H PHE 4 1.010 0.313 0.549 21 HA PHE 4 HA PHE 4 0.637 2.765 1.603 22 2HB PHE 4 2HB PHE 4 3.395 2.517 2.416 23 HD1 PHE 4 HD1 PHE 4 1.990 4.813 2.707 24 HD2 PHE 4 HD2 PHE 4 1.730 1.417 5.237 25 HE1 PHE 4 HE1 PHE 4 1.147 6.266 4.571 26 HE2 PHE 4 HE2 PHE 4 0.885 2.869 7.101 27 HZ PHE 4 HZ PHE 4 0.604 5.277 6.746 28 H GLU 5 H GLU 5 0.668 3.397 -0.560 29 HA GLU 5 HA GLU 5 3.257 3.077 -1.868 30 1HB GLU 5 1HB GLU 5 2.183 2.844 -3.952 31 2HB GLU 5 2HB GLU 5 1.146 1.936 -2.872 32 1HG GLU 5 1HG GLU 5 -0.359 3.921 -2.643 33 2HG GLU 5 2HG GLU 5 0.680 4.835 -3.718 34 H DTR 6 H DTR 6 1.879 5.224 0.003 35 HA DTR 6 HA DTR 6 2.242 7.560 -1.790 36 1HB DTR 6 1HB DTR 6 3.770 8.495 -0.383 37 2HB DTR 6 2HB DTR 6 3.211 7.607 1.020 38 HD1 DTR 6 HD1 DTR 6 4.982 5.867 1.801 39 HE1 DTR 6 HE1 DTR 6 6.869 4.346 0.757 40 HZ2 DTR 6 HZ2 DTR 6 7.800 3.920 -1.906 41 HH2 DTR 6 HH2 DTR 6 7.390 4.643 -4.288 42 HZ3 DTR 6 HZ3 DTR 6 5.636 6.274 -4.779 43 HE3 DTR 6 HE3 DTR 6 4.195 7.291 -3.017 44 H IAM 7 H IAM 7 -0.289 7.187 -1.621 45 HA IAM 7 HA IAM 7 -1.312 8.984 0.273 46 HB IAM 7 HB IAM 7 -2.402 8.640 -1.883 47 HD1 IAM 7 HD1 IAM 7 -3.821 9.974 -0.109 48 HE1 IAM 7 HE1 IAM 7 -6.165 10.088 0.786 49 HE2 IAM 7 HE2 IAM 7 -6.708 5.976 -0.113 50 HD2 IAM 7 HD2 IAM 7 -4.365 5.863 -1.008 51 1HT IAM 7 1HT IAM 7 -8.200 9.101 1.281 52 2HT IAM 7 2HT IAM 7 -8.105 7.417 1.744 53 HH IAM 7 HH IAM 7 -9.301 8.488 -0.778 54 HI IAM 7 HI IAM 7 -8.676 5.698 0.127 55 1HB IAM 7 1HB IAM 7 -2.410 6.899 -1.683 56 1HK1 IAM 7 1HK1 IAM 7 -10.293 6.686 -2.231 57 2HK1 IAM 7 2HK1 IAM 7 -8.620 6.186 -2.299 58 3HK1 IAM 7 3HK1 IAM 7 -9.866 5.020 -1.921 59 1HK2 IAM 7 1HK2 IAM 7 -10.592 6.143 1.470 60 2HK2 IAM 7 2HK2 IAM 7 -11.418 6.934 0.150 61 3HK2 IAM 7 3HK2 IAM 7 -11.167 5.206 0.112 62 H THR 8 H THR 8 -1.896 5.409 -0.116 63 HA THR 8 HA THR 8 -1.586 4.847 2.605 64 HB THR 8 HB THR 8 -3.984 6.224 2.086 65 HG1 THR 8 HG1 THR 8 -3.035 4.268 4.046 66 1HG2 THR 8 1HG2 THR 8 -4.736 3.382 2.820 67 2HG2 THR 8 2HG2 THR 8 -5.776 4.694 2.219 68 3HG2 THR 8 3HG2 THR 8 -4.687 3.840 1.099 69 H PHE 9 H PHE 9 -2.971 2.615 3.045 70 HA PHE 9 HA PHE 9 -1.719 0.731 1.538 71 2HB PHE 9 2HB PHE 9 -4.232 0.936 3.231 72 HD1 PHE 9 HD1 PHE 9 -2.720 -1.348 0.774 73 HD2 PHE 9 HD2 PHE 9 -5.724 -0.870 3.733 74 HE1 PHE 9 HE1 PHE 9 -3.839 -3.449 -0.023 75 HE2 PHE 9 HE2 PHE 9 -6.844 -2.971 2.936 76 HZ PHE 9 HZ PHE 9 -5.887 -4.235 1.068 77 H LYS 10 H LYS 10 -1.789 1.125 -0.725 78 HA LYS 10 HA LYS 10 -4.006 -0.046 -2.031 79 1HB LYS 10 1HB LYS 10 -4.591 2.009 -3.390 80 2HB LYS 10 2HB LYS 10 -5.183 1.974 -1.744 81 1HG LYS 10 1HG LYS 10 -3.822 3.709 -1.063 82 2HG LYS 10 2HG LYS 10 -2.482 3.196 -2.069 83 1HD LYS 10 1HD LYS 10 -5.013 4.500 -3.170 84 2HD LYS 10 2HD LYS 10 -3.558 5.392 -2.776 85 1HE LYS 10 1HE LYS 10 -3.299 2.992 -4.590 86 2HE LYS 10 2HE LYS 10 -3.997 4.455 -5.255 87 1HZ LYS 10 1HZ LYS 10 -1.657 4.599 -5.573 88 H SER 11 H SER 11 -2.250 -1.394 -2.718 89 HA SER 11 HA SER 11 -1.119 -0.494 -5.116 90 2HB SER 11 2HB SER 11 1.236 -1.251 -3.636 91 HG SER 11 HG SER 11 1.998 0.322 -4.866 92 H CYS 12 H CYS 12 -0.799 -2.767 -2.313 93 HA CYS 12 HA CYS 12 -1.281 -4.964 -4.093 94 2HB CYS 12 2HB CYS 12 1.136 -4.701 -4.339 Start of MODEL 8 1 1H TYR 1 1H TYR 1 2.114 -7.618 -2.070 2 HA TYR 1 HA TYR 1 0.230 -6.185 -1.321 3 2HB TYR 1 2HB TYR 1 -0.435 -7.757 0.500 4 HD1 TYR 1 HD1 TYR 1 0.992 -9.727 0.799 5 HD2 TYR 1 HD2 TYR 1 2.026 -5.968 2.562 6 HE1 TYR 1 HE1 TYR 1 2.680 -10.888 2.304 7 HE2 TYR 1 HE2 TYR 1 3.710 -7.143 4.060 8 HH TYR 1 HH TYR 1 4.201 -10.655 3.812 9 H CYS 2 H CYS 2 0.899 -4.079 -1.196 10 HA CYS 2 HA CYS 2 3.687 -3.699 -0.447 11 2HB CYS 2 2HB CYS 2 3.334 -1.442 -1.553 12 H LYS 3 H LYS 3 0.491 -1.961 -0.181 13 HA LYS 3 HA LYS 3 -0.409 -0.764 1.441 14 2HB LYS 3 2HB LYS 3 0.447 -3.069 2.660 15 2HG LYS 3 2HG LYS 3 2.403 -1.498 3.530 16 2HD LYS 3 2HD LYS 3 0.522 0.195 4.303 17 2HE LYS 3 2HE LYS 3 -0.053 -2.102 5.950 18 1HZ LYS 3 1HZ LYS 3 0.048 -0.233 7.958 19 2HZ LYS 3 2HZ LYS 3 1.005 -1.545 7.842 20 H PHE 4 H PHE 4 -0.141 1.292 2.312 21 HA PHE 4 HA PHE 4 0.859 3.228 2.649 22 2HB PHE 4 2HB PHE 4 3.407 2.674 3.640 23 HD1 PHE 4 HD1 PHE 4 3.670 2.947 6.045 24 HD2 PHE 4 HD2 PHE 4 -0.180 2.516 4.313 25 HE1 PHE 4 HE1 PHE 4 2.621 3.770 8.172 26 HE2 PHE 4 HE2 PHE 4 -1.229 3.338 6.441 27 HZ PHE 4 HZ PHE 4 0.183 3.956 8.343 28 H GLU 5 H GLU 5 0.972 3.698 0.347 29 HA GLU 5 HA GLU 5 3.632 3.281 -0.758 30 1HB GLU 5 1HB GLU 5 1.268 4.208 -2.398 31 2HB GLU 5 2HB GLU 5 2.678 3.306 -2.916 32 1HG GLU 5 1HG GLU 5 1.830 1.389 -1.387 33 2HG GLU 5 2HG GLU 5 0.327 2.283 -1.272 34 H DTR 6 H DTR 6 1.571 5.608 0.692 35 HA DTR 6 HA DTR 6 3.120 7.840 -0.517 36 1HB DTR 6 1HB DTR 6 3.658 8.586 1.530 37 2HB DTR 6 2HB DTR 6 2.157 8.047 2.256 38 HD1 DTR 6 HD1 DTR 6 2.627 6.232 4.062 39 HE1 DTR 6 HE1 DTR 6 4.314 4.251 4.499 40 HZ2 DTR 6 HZ2 DTR 6 6.519 3.187 3.032 41 HH2 DTR 6 HH2 DTR 6 7.818 3.516 0.896 42 HZ3 DTR 6 HZ3 DTR 6 7.184 5.297 -0.653 43 HE3 DTR 6 HE3 DTR 6 5.279 6.849 -0.230 44 H IAM 7 H IAM 7 0.506 6.772 -1.425 45 HA IAM 7 HA IAM 7 -1.072 9.132 -0.977 46 HB IAM 7 HB IAM 7 -1.077 8.305 -3.223 47 HD1 IAM 7 HD1 IAM 7 -3.068 5.412 -2.485 48 HE1 IAM 7 HE1 IAM 7 -5.549 5.272 -2.848 49 HE2 IAM 7 HE2 IAM 7 -5.705 9.481 -3.373 50 HD2 IAM 7 HD2 IAM 7 -3.226 9.618 -3.008 51 1HT IAM 7 1HT IAM 7 -7.706 8.263 -3.287 52 2HT IAM 7 2HT IAM 7 -7.716 6.652 -2.607 53 HH IAM 7 HH IAM 7 -7.665 7.342 -5.503 54 HI IAM 7 HI IAM 7 -6.839 4.773 -4.367 55 1HB IAM 7 1HB IAM 7 -1.061 6.632 -2.705 56 1HK1 IAM 7 1HK1 IAM 7 -8.426 5.375 -6.871 57 2HK1 IAM 7 2HK1 IAM 7 -6.684 5.269 -6.787 58 3HK1 IAM 7 3HK1 IAM 7 -7.661 3.848 -6.498 59 1HK2 IAM 7 1HK2 IAM 7 -9.169 3.748 -4.632 60 2HK2 IAM 7 2HK2 IAM 7 -8.900 4.718 -3.203 61 3HK2 IAM 7 3HK2 IAM 7 -9.776 5.385 -4.560 62 H THR 8 H THR 8 -1.616 5.545 -0.660 63 HA THR 8 HA THR 8 -2.899 5.823 1.841 64 HB THR 8 HB THR 8 -4.537 6.661 -0.204 65 HG1 THR 8 HG1 THR 8 -5.321 4.941 2.033 66 1HG2 THR 8 1HG2 THR 8 -4.522 4.265 -1.154 67 2HG2 THR 8 2HG2 THR 8 -5.297 3.755 0.365 68 3HG2 THR 8 3HG2 THR 8 -6.129 4.896 -0.719 69 H PHE 9 H PHE 9 -3.919 3.681 2.527 70 HA PHE 9 HA PHE 9 -2.036 1.681 2.088 71 2HB PHE 9 2HB PHE 9 -4.851 1.937 3.239 72 HD1 PHE 9 HD1 PHE 9 -2.179 -0.633 3.650 73 HD2 PHE 9 HD2 PHE 9 -6.273 0.149 2.853 74 HE1 PHE 9 HE1 PHE 9 -2.661 -3.095 3.711 75 HE2 PHE 9 HE2 PHE 9 -6.755 -2.313 2.914 76 HZ PHE 9 HZ PHE 9 -4.944 -3.906 3.342 77 H LYS 10 H LYS 10 -1.918 1.564 -0.301 78 HA LYS 10 HA LYS 10 -4.156 0.002 -1.393 79 1HB LYS 10 1HB LYS 10 -3.621 0.923 -3.571 80 2HB LYS 10 2HB LYS 10 -3.937 2.216 -2.432 81 1HG LYS 10 1HG LYS 10 -1.479 2.527 -2.094 82 2HG LYS 10 2HG LYS 10 -1.156 1.222 -3.219 83 1HD LYS 10 1HD LYS 10 -2.737 2.715 -4.826 84 2HD LYS 10 2HD LYS 10 -2.183 3.999 -3.772 85 1HE LYS 10 1HE LYS 10 -0.467 2.136 -5.468 86 2HE LYS 10 2HE LYS 10 -0.631 3.872 -5.634 87 1HZ LYS 10 1HZ LYS 10 0.966 4.159 -4.095 88 H SER 11 H SER 11 -3.713 -2.099 -1.769 89 HA SER 11 HA SER 11 -1.049 -2.993 -1.444 90 2HB SER 11 2HB SER 11 -2.928 -4.338 -0.629 91 HG SER 11 HG SER 11 -4.512 -3.816 -2.252 92 H CYS 12 H CYS 12 -0.103 -4.631 -3.136 93 HA CYS 12 HA CYS 12 -0.377 -3.356 -5.747 94 2HB CYS 12 2HB CYS 12 1.807 -4.564 -6.209 Start of MODEL 9 1 1H TYR 1 1H TYR 1 6.024 -2.499 1.083 2 HA TYR 1 HA TYR 1 5.381 -0.007 -0.318 3 2HB TYR 1 2HB TYR 1 7.262 -1.438 -1.146 4 HD1 TYR 1 HD1 TYR 1 7.929 -3.402 0.092 5 HD2 TYR 1 HD2 TYR 1 4.518 -3.520 -2.489 6 HE1 TYR 1 HE1 TYR 1 7.896 -5.941 0.239 7 HE2 TYR 1 HE2 TYR 1 4.496 -6.057 -2.332 8 HH TYR 1 HH TYR 1 5.285 -7.762 -0.643 9 H CYS 2 H CYS 2 4.241 -3.385 0.256 10 HA CYS 2 HA CYS 2 2.140 -3.501 -1.426 11 2HB CYS 2 2HB CYS 2 1.276 -4.538 1.100 12 H LYS 3 H LYS 3 2.424 -1.771 1.723 13 HA LYS 3 HA LYS 3 -0.061 -0.371 1.039 14 2HB LYS 3 2HB LYS 3 -0.226 -2.182 2.898 15 2HG LYS 3 2HG LYS 3 0.258 -1.121 5.166 16 2HD LYS 3 2HD LYS 3 1.976 -2.568 3.445 17 2HE LYS 3 2HE LYS 3 3.169 0.017 4.248 18 1HZ LYS 3 1HZ LYS 3 4.015 -2.053 5.775 19 2HZ LYS 3 2HZ LYS 3 5.084 -2.118 4.549 20 H PHE 4 H PHE 4 -0.189 1.830 1.990 21 HA PHE 4 HA PHE 4 0.662 3.840 2.289 22 2HB PHE 4 2HB PHE 4 2.999 2.335 3.605 23 HD1 PHE 4 HD1 PHE 4 0.620 5.019 4.624 24 HD2 PHE 4 HD2 PHE 4 4.660 3.912 3.946 25 HE1 PHE 4 HE1 PHE 4 1.379 7.236 5.524 26 HE2 PHE 4 HE2 PHE 4 5.418 6.129 4.846 27 HZ PHE 4 HZ PHE 4 3.769 7.765 5.623 28 H GLU 5 H GLU 5 1.052 4.141 -0.004 29 HA GLU 5 HA GLU 5 3.885 3.907 -0.662 30 1HB GLU 5 1HB GLU 5 3.333 3.421 -2.902 31 2HB GLU 5 2HB GLU 5 2.129 2.528 -1.994 32 1HG GLU 5 1HG GLU 5 0.530 4.465 -2.279 33 2HG GLU 5 2HG GLU 5 1.728 5.277 -3.266 34 H DTR 6 H DTR 6 1.867 6.087 0.558 35 HA DTR 6 HA DTR 6 2.535 8.283 -1.312 36 1HB DTR 6 1HB DTR 6 3.515 9.534 0.399 37 2HB DTR 6 2HB DTR 6 2.931 8.465 1.660 38 HD1 DTR 6 HD1 DTR 6 4.886 7.057 2.646 39 HE1 DTR 6 HE1 DTR 6 7.146 5.960 1.846 40 HZ2 DTR 6 HZ2 DTR 6 8.496 5.844 -0.668 41 HH2 DTR 6 HH2 DTR 6 8.283 6.601 -3.063 42 HZ3 DTR 6 HZ3 DTR 6 6.339 7.908 -3.760 43 HE3 DTR 6 HE3 DTR 6 4.507 8.556 -2.198 44 H IAM 7 H IAM 7 -0.001 6.859 -0.940 45 HA IAM 7 HA IAM 7 -1.522 8.992 0.351 46 HB IAM 7 HB IAM 7 -2.260 8.630 -1.897 47 HD1 IAM 7 HD1 IAM 7 -3.898 8.726 0.693 48 HE1 IAM 7 HE1 IAM 7 -6.322 8.239 1.132 49 HE2 IAM 7 HE2 IAM 7 -6.397 5.616 -2.206 50 HD2 IAM 7 HD2 IAM 7 -3.976 6.107 -2.645 51 1HT IAM 7 1HT IAM 7 -8.489 7.516 -0.034 52 2HT IAM 7 2HT IAM 7 -8.061 5.941 0.596 53 HH IAM 7 HH IAM 7 -9.075 6.530 -2.129 54 HI IAM 7 HI IAM 7 -7.527 4.159 -1.191 55 1HB IAM 7 1HB IAM 7 -1.901 6.916 -1.836 56 1HK1 IAM 7 1HK1 IAM 7 -9.348 4.508 -3.580 57 2HK1 IAM 7 2HK1 IAM 7 -7.611 4.691 -3.605 58 3HK1 IAM 7 3HK1 IAM 7 -8.319 3.127 -3.282 59 1HK2 IAM 7 1HK2 IAM 7 -9.997 3.019 -1.625 60 2HK2 IAM 7 2HK2 IAM 7 -9.281 3.302 -0.058 61 3HK2 IAM 7 3HK2 IAM 7 -10.392 4.468 -0.734 62 H THR 8 H THR 8 -1.851 5.397 -0.139 63 HA THR 8 HA THR 8 -1.942 4.801 2.594 64 HB THR 8 HB THR 8 -4.278 6.112 1.719 65 HG1 THR 8 HG1 THR 8 -3.602 4.157 3.798 66 1HG2 THR 8 1HG2 THR 8 -4.803 3.786 0.601 67 2HG2 THR 8 2HG2 THR 8 -4.960 3.197 2.273 68 3HG2 THR 8 3HG2 THR 8 -6.029 4.491 1.681 69 H PHE 9 H PHE 9 -3.207 2.515 2.834 70 HA PHE 9 HA PHE 9 -1.717 0.698 1.508 71 2HB PHE 9 2HB PHE 9 -3.502 -0.884 2.239 72 HD1 PHE 9 HD1 PHE 9 -1.472 1.372 3.522 73 HD2 PHE 9 HD2 PHE 9 -5.146 -0.461 4.591 74 HE1 PHE 9 HE1 PHE 9 -0.976 1.790 5.948 75 HE2 PHE 9 HE2 PHE 9 -4.650 -0.042 7.016 76 HZ PHE 9 HZ PHE 9 -2.571 1.080 7.665 77 H LYS 10 H LYS 10 -1.403 0.676 -0.694 78 HA LYS 10 HA LYS 10 -3.606 -0.169 -2.302 79 1HB LYS 10 1HB LYS 10 -3.681 1.675 -3.835 80 2HB LYS 10 2HB LYS 10 -3.994 2.282 -2.222 81 1HG LYS 10 1HG LYS 10 -1.441 2.793 -2.103 82 2HG LYS 10 2HG LYS 10 -1.422 2.520 -3.834 83 1HD LYS 10 1HD LYS 10 -3.614 4.227 -3.510 84 2HD LYS 10 2HD LYS 10 -2.488 4.820 -2.306 85 1HE LYS 10 1HE LYS 10 -2.427 5.435 -5.031 86 2HE LYS 10 2HE LYS 10 -1.130 5.726 -3.891 87 1HZ LYS 10 1HZ LYS 10 -1.432 3.158 -5.351 88 H SER 11 H SER 11 -2.580 -1.925 -3.126 89 HA SER 11 HA SER 11 -0.615 -1.596 -5.019 90 2HB SER 11 2HB SER 11 0.572 -2.894 -2.547 91 HG SER 11 HG SER 11 2.436 -1.684 -3.952 92 H CYS 12 H CYS 12 -1.020 -4.015 -2.322 93 HA CYS 12 HA CYS 12 -1.592 -6.005 -4.377 94 2HB CYS 12 2HB CYS 12 0.164 -6.795 -3.098 Start of MODEL 10 1 1H TYR 1 1H TYR 1 -0.267 -8.598 -2.090 2 HA TYR 1 HA TYR 1 -0.590 -6.261 -1.116 3 2HB TYR 1 2HB TYR 1 -1.417 -8.498 -0.173 4 HD1 TYR 1 HD1 TYR 1 0.398 -7.928 2.829 5 HD2 TYR 1 HD2 TYR 1 0.488 -10.184 -0.806 6 HE1 TYR 1 HE1 TYR 1 1.983 -9.603 3.898 7 HE2 TYR 1 HE2 TYR 1 2.073 -11.850 0.277 8 HH TYR 1 HH TYR 1 2.622 -11.901 3.628 9 H CYS 2 H CYS 2 0.467 -4.536 -0.249 10 HA CYS 2 HA CYS 2 2.933 -5.060 1.196 11 2HB CYS 2 2HB CYS 2 4.313 -3.772 -0.083 12 H LYS 3 H LYS 3 0.607 -2.571 -0.079 13 HA LYS 3 HA LYS 3 -0.591 -1.040 0.999 14 2HB LYS 3 2HB LYS 3 -0.891 -1.051 3.363 15 2HG LYS 3 2HG LYS 3 -0.994 -3.627 3.814 16 2HD LYS 3 2HD LYS 3 -2.696 -1.899 2.482 17 2HE LYS 3 2HE LYS 3 -1.773 -2.701 0.272 18 1HZ LYS 3 1HZ LYS 3 -2.672 -5.059 -0.238 19 2HZ LYS 3 2HZ LYS 3 -1.270 -4.947 0.583 20 H PHE 4 H PHE 4 -0.293 1.166 1.814 21 HA PHE 4 HA PHE 4 0.820 3.062 1.968 22 2HB PHE 4 2HB PHE 4 2.946 2.998 3.231 23 HD1 PHE 4 HD1 PHE 4 0.812 3.389 4.678 24 HD2 PHE 4 HD2 PHE 4 2.651 -0.399 4.148 25 HE1 PHE 4 HE1 PHE 4 -0.291 2.561 6.775 26 HE2 PHE 4 HE2 PHE 4 1.547 -1.228 6.244 27 HZ PHE 4 HZ PHE 4 0.090 0.261 7.533 28 H GLU 5 H GLU 5 0.770 3.452 -0.318 29 HA GLU 5 HA GLU 5 3.285 2.786 -1.636 30 1HB GLU 5 1HB GLU 5 2.144 2.618 -3.688 31 2HB GLU 5 2HB GLU 5 1.007 1.916 -2.554 32 1HG GLU 5 1HG GLU 5 0.179 4.484 -2.375 33 2HG GLU 5 2HG GLU 5 0.878 4.565 -3.979 34 H DTR 6 H DTR 6 1.613 5.267 -0.090 35 HA DTR 6 HA DTR 6 2.480 7.419 -1.888 36 1HB DTR 6 1HB DTR 6 3.834 8.418 -0.125 37 2HB DTR 6 2HB DTR 6 3.556 7.030 0.909 38 HD1 DTR 6 HD1 DTR 6 5.701 5.554 0.936 39 HE1 DTR 6 HE1 DTR 6 7.565 4.730 -0.740 40 HZ2 DTR 6 HZ2 DTR 6 8.073 5.209 -3.507 41 HH2 DTR 6 HH2 DTR 6 7.167 6.466 -5.497 42 HZ3 DTR 6 HZ3 DTR 6 5.157 7.834 -5.260 43 HE3 DTR 6 HE3 DTR 6 3.917 8.067 -3.110 44 H IAM 7 H IAM 7 -0.161 6.884 -1.466 45 HA IAM 7 HA IAM 7 -0.958 8.983 0.340 46 HB IAM 7 HB IAM 7 -2.839 7.136 -1.167 47 HD1 IAM 7 HD1 IAM 7 -1.713 6.222 -3.055 48 HE1 IAM 7 HE1 IAM 7 -0.769 6.591 -5.353 49 HE2 IAM 7 HE2 IAM 7 -0.628 10.769 -4.621 50 HD2 IAM 7 HD2 IAM 7 -1.573 10.399 -2.325 51 1HT IAM 7 1HT IAM 7 0.719 8.224 -6.698 52 2HT IAM 7 2HT IAM 7 0.319 9.923 -6.590 53 HH IAM 7 HH IAM 7 -1.464 9.543 -8.080 54 HI IAM 7 HI IAM 7 -2.154 7.058 -6.801 55 1HB IAM 7 1HB IAM 7 -2.974 8.868 -0.942 56 1HK1 IAM 7 1HK1 IAM 7 -0.250 6.760 -9.133 57 2HK1 IAM 7 2HK1 IAM 7 0.126 6.368 -7.472 58 3HK1 IAM 7 3HK1 IAM 7 -1.087 5.450 -8.333 59 1HK2 IAM 7 1HK2 IAM 7 -2.436 7.434 -9.755 60 2HK2 IAM 7 2HK2 IAM 7 -3.534 6.660 -8.640 61 3HK2 IAM 7 3HK2 IAM 7 -3.396 8.401 -8.661 62 H THR 8 H THR 8 -1.874 5.502 -0.209 63 HA THR 8 HA THR 8 -1.754 4.808 2.488 64 HB THR 8 HB THR 8 -3.929 6.494 2.012 65 HG1 THR 8 HG1 THR 8 -3.784 4.209 3.839 66 1HG2 THR 8 1HG2 THR 8 -5.032 3.678 2.371 67 2HG2 THR 8 2HG2 THR 8 -5.926 5.179 2.035 68 3HG2 THR 8 3HG2 THR 8 -4.950 4.421 0.755 69 H PHE 9 H PHE 9 -3.098 2.674 2.867 70 HA PHE 9 HA PHE 9 -2.128 0.734 1.349 71 2HB PHE 9 2HB PHE 9 -3.427 0.102 3.247 72 HD1 PHE 9 HD1 PHE 9 -6.526 0.809 1.447 73 HD2 PHE 9 HD2 PHE 9 -3.975 2.052 4.602 74 HE1 PHE 9 HE1 PHE 9 -8.362 2.258 2.361 75 HE2 PHE 9 HE2 PHE 9 -5.810 3.502 5.515 76 HZ PHE 9 HZ PHE 9 -7.981 3.587 4.383 77 H LYS 10 H LYS 10 -1.953 0.958 -0.886 78 HA LYS 10 HA LYS 10 -4.501 0.773 -2.312 79 1HB LYS 10 1HB LYS 10 -2.444 2.896 -2.558 80 2HB LYS 10 2HB LYS 10 -3.025 2.228 -4.071 81 1HG LYS 10 1HG LYS 10 -5.333 2.753 -3.523 82 2HG LYS 10 2HG LYS 10 -4.920 3.140 -1.863 83 1HD LYS 10 1HD LYS 10 -5.265 5.125 -3.504 84 2HD LYS 10 2HD LYS 10 -3.859 5.179 -2.459 85 1HE LYS 10 1HE LYS 10 -3.623 3.904 -5.199 86 2HE LYS 10 2HE LYS 10 -3.602 5.651 -5.061 87 1HZ LYS 10 1HZ LYS 10 -1.864 4.299 -3.181 88 H SER 11 H SER 11 -3.530 -1.544 -1.820 89 HA SER 11 HA SER 11 -2.363 -3.298 -2.457 90 2HB SER 11 2HB SER 11 -4.135 -3.407 -4.076 91 HG SER 11 HG SER 11 -4.103 -1.323 -4.994 92 H CYS 12 H CYS 12 -0.318 -2.044 -1.708 93 HA CYS 12 HA CYS 12 1.845 -1.758 -1.986 94 2HB CYS 12 2HB CYS 12 1.979 -2.338 -4.883 9 PHE HA 10 KBR QG 6.38 9 PHE HA 9 PHE HB2 2.99 9 PHE HA 9 PHE HB3 2.99 9 PHE HA 9 PHE QB 2.78 9 PHE HB2 10 KBR HN 4.79 9 PHE HB3 10 KBR HN 4.79 9 PHE HN 9 PHE HB2 3.92 9 PHE HN 9 PHE HB3 3.92 9 PHE HN 9 PHE QB 3.39 9 PHE QB 10 KBR HN 4.48 9 PHE QD 10 KBR QG 8.50 9 PHE QD 11 SER QB 8.50
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