NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572702 | 2mdb | 11538 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 21.539 7.104 -2.765 2 H2 LYS 1 HT2 LYS 1 20.171 6.533 -3.596 3 H3 LYS 1 HT3 LYS 1 20.856 5.610 -2.345 4 HA LYS 1 HA LYS 1 19.952 6.857 -0.701 5 HB2 LYS 1 HB2 LYS 1 21.108 8.918 -1.482 6 HB3 LYS 1 HB1 LYS 1 19.820 9.168 -2.661 7 HG2 LYS 1 HG2 LYS 1 18.167 9.335 -0.862 8 HG3 LYS 1 HG1 LYS 1 19.414 9.005 0.341 9 HD2 LYS 1 HD2 LYS 1 20.616 11.053 -0.345 10 HD3 LYS 1 HD1 LYS 1 19.353 11.391 -1.532 11 HE2 LYS 1 HE2 LYS 1 17.681 11.529 0.269 12 HE3 LYS 1 HE1 LYS 1 18.925 11.164 1.463 13 HZ1 LYS 1 HZ1 LYS 1 20.096 13.189 0.336 14 HZ2 LYS 1 HZ2 LYS 1 18.915 13.430 1.533 15 HZ3 LYS 1 HZ3 LYS 1 18.513 13.604 -0.108 16 H TRP 2 HN TRP 2 18.374 5.175 -1.268 17 HA TRP 2 HA TRP 2 15.844 6.386 -2.165 18 HB2 TRP 2 HB2 TRP 2 17.009 3.813 -3.251 19 HB3 TRP 2 HB1 TRP 2 15.347 4.347 -3.507 20 HD1 TRP 2 HD1 TRP 2 18.948 5.171 -4.448 21 HE1 TRP 2 HE1 TRP 2 18.935 6.800 -6.446 22 HE3 TRP 2 HE3 TRP 2 13.952 6.190 -4.724 23 HZ2 TRP 2 HZ2 TRP 2 17.054 8.332 -7.962 24 HZ3 TRP 2 HZ3 TRP 2 13.077 7.736 -6.453 25 HH2 TRP 2 HH2 TRP 2 14.621 8.807 -8.070 26 H CYS 3 HN CYS 3 14.105 5.715 -1.024 27 HA CYS 3 HA CYS 3 14.595 3.736 1.118 28 HB2 CYS 3 HB2 CYS 3 12.325 5.719 0.908 29 HB3 CYS 3 HB1 CYS 3 12.807 4.778 2.319 30 H PHE 4 HN PHE 4 13.134 2.070 1.508 31 HA PHE 4 HA PHE 4 11.061 1.596 -0.549 32 HB2 PHE 4 HB2 PHE 4 13.109 -0.426 0.399 33 HB3 PHE 4 HB1 PHE 4 11.746 -0.767 -0.670 34 HD1 PHE 4 HD2 PHE 4 11.646 0.229 -2.942 35 HD2 PHE 4 HD1 PHE 4 15.068 0.735 -0.395 36 HE1 PHE 4 HE2 PHE 4 12.988 0.968 -4.892 37 HE2 PHE 4 HE1 PHE 4 16.410 1.474 -2.345 38 HZ PHE 4 HZ PHE 4 15.370 1.590 -4.593 39 H ARG 5 HN ARG 5 9.346 0.246 0.119 40 HA ARG 5 HA ARG 5 9.205 -0.278 3.038 41 HB2 ARG 5 HB2 ARG 5 7.923 1.763 2.467 42 HB3 ARG 5 HB1 ARG 5 6.974 0.825 1.313 43 HG2 ARG 5 HG2 ARG 5 6.189 -0.643 3.118 44 HG3 ARG 5 HG1 ARG 5 7.180 0.237 4.281 45 HD2 ARG 5 HD2 ARG 5 4.999 1.511 2.610 46 HD3 ARG 5 HD1 ARG 5 4.765 0.939 4.259 47 HE ARG 5 HE ARG 5 6.983 2.674 4.230 48 HH11 ARG 5 HH21 ARG 5 3.558 2.677 3.741 49 HH12 ARG 5 HH22 ARG 5 3.344 4.312 4.269 50 HH21 ARG 5 HH11 ARG 5 6.710 4.819 4.924 51 HH22 ARG 5 HH12 ARG 5 5.130 5.526 4.940 52 H VAL 6 HN VAL 6 8.744 -2.320 3.483 53 HA VAL 6 HA VAL 6 7.061 -3.873 1.625 54 HB VAL 6 HB VAL 6 9.424 -4.353 1.053 55 HG11 VAL 6 HG11 VAL 6 10.919 -5.327 2.654 56 HG12 VAL 6 HG12 VAL 6 9.633 -5.492 3.849 57 HG13 VAL 6 HG13 VAL 6 10.240 -3.892 3.422 58 HG21 VAL 6 HG21 VAL 6 8.198 -6.693 2.531 59 HG22 VAL 6 HG22 VAL 6 9.188 -6.733 1.073 60 HG23 VAL 6 HG23 VAL 6 7.548 -6.091 1.006 61 H CYS 7 HN CYS 7 5.705 -5.275 2.615 62 HA CYS 7 HA CYS 7 5.730 -5.280 5.568 63 HB2 CYS 7 HB2 CYS 7 3.498 -6.309 3.826 64 HB3 CYS 7 HB1 CYS 7 3.424 -5.719 5.488 65 H TYR 8 HN TYR 8 6.145 -7.078 6.703 66 HA TYR 8 HA TYR 8 6.637 -9.572 5.196 67 HB2 TYR 8 HB2 TYR 8 8.513 -8.659 6.532 68 HB3 TYR 8 HB1 TYR 8 7.526 -8.791 7.984 69 HD1 TYR 8 HD1 TYR 8 8.853 -10.811 5.127 70 HD2 TYR 8 HD2 TYR 8 7.448 -10.815 9.185 71 HE1 TYR 8 HE1 TYR 8 9.504 -13.193 5.350 72 HE2 TYR 8 HE2 TYR 8 8.098 -13.196 9.409 73 HH TYR 8 HH TYR 8 10.149 -14.740 7.357 74 H ARG 9 HN ARG 9 5.913 -9.185 8.627 75 HA ARG 9 HA ARG 9 3.892 -11.282 8.417 76 HB2 ARG 9 HB2 ARG 9 3.917 -11.133 10.926 77 HB3 ARG 9 HB1 ARG 9 5.473 -11.552 10.207 78 HG2 ARG 9 HG2 ARG 9 6.216 -9.226 10.390 79 HG3 ARG 9 HG1 ARG 9 4.645 -8.755 11.036 80 HD2 ARG 9 HD2 ARG 9 6.228 -9.040 12.873 81 HD3 ARG 9 HD1 ARG 9 5.002 -10.301 12.951 82 HE ARG 9 HE ARG 9 6.644 -11.881 12.418 83 HH11 ARG 9 HH21 ARG 9 7.786 -8.638 12.037 84 HH12 ARG 9 HH22 ARG 9 9.445 -9.096 11.849 85 HH21 ARG 9 HH11 ARG 9 8.820 -12.491 12.172 86 HH22 ARG 9 HH12 ARG 9 10.030 -11.277 11.926 87 H GLY 10 HN GLY 10 3.250 -8.748 7.245 88 HA2 GLY 10 HA2 GLY 10 1.136 -7.707 7.096 89 HA3 GLY 10 HA1 GLY 10 0.803 -8.175 8.761 90 H ILE 11 HN ILE 11 3.846 -7.068 8.913 91 HA ILE 11 HA ILE 11 2.958 -4.354 9.683 92 HB ILE 11 HB ILE 11 5.451 -5.892 10.450 93 HG12 ILE 11 HG12 ILE 11 3.029 -5.146 12.116 94 HG13 ILE 11 HG11 ILE 11 3.260 -6.734 11.385 95 HG21 ILE 11 HG21 ILE 11 4.363 -3.180 11.253 96 HG22 ILE 11 HG22 ILE 11 5.909 -3.524 10.476 97 HG23 ILE 11 HG23 ILE 11 5.631 -4.019 12.144 98 HD11 ILE 11 HD11 ILE 11 5.002 -5.398 13.469 99 HD12 ILE 11 HD12 ILE 11 5.492 -6.843 12.588 100 HD13 ILE 11 HD13 ILE 11 4.077 -6.890 13.639 101 H CYS 12 HN CYS 12 3.429 -2.741 8.364 102 HA CYS 12 HA CYS 12 5.576 -3.085 6.364 103 HB2 CYS 12 HB2 CYS 12 3.490 -0.901 6.454 104 HB3 CYS 12 HB1 CYS 12 4.489 -1.399 5.088 105 H TYR 13 HN TYR 13 7.414 -1.975 6.512 106 HA TYR 13 HA TYR 13 7.502 0.501 8.110 107 HB2 TYR 13 HB2 TYR 13 8.192 -1.343 9.607 108 HB3 TYR 13 HB1 TYR 13 9.441 -1.802 8.450 109 HD1 TYR 13 HD1 TYR 13 8.222 1.085 10.495 110 HD2 TYR 13 HD2 TYR 13 11.548 -0.750 8.491 111 HE1 TYR 13 HE1 TYR 13 9.745 2.787 11.464 112 HE2 TYR 13 HE2 TYR 13 13.071 0.951 9.460 113 HH TYR 13 HH TYR 13 12.308 2.853 12.020 114 H ARG 14 HN ARG 14 9.322 1.853 7.616 115 HA ARG 14 HA ARG 14 10.037 1.743 4.832 116 HB2 ARG 14 HB2 ARG 14 10.845 3.622 7.063 117 HB3 ARG 14 HB1 ARG 14 11.341 3.819 5.382 118 HG2 ARG 14 HG2 ARG 14 8.983 3.940 4.686 119 HG3 ARG 14 HG1 ARG 14 8.470 3.713 6.359 120 HD2 ARG 14 HD2 ARG 14 9.645 5.789 6.999 121 HD3 ARG 14 HD1 ARG 14 10.142 6.020 5.325 122 HE ARG 14 HE ARG 14 7.349 5.766 5.358 123 HH11 ARG 14 HH21 ARG 14 9.843 7.862 6.520 124 HH12 ARG 14 HH22 ARG 14 8.862 9.288 6.462 125 HH21 ARG 14 HH11 ARG 14 6.057 7.631 5.278 126 HH22 ARG 14 HH12 ARG 14 6.718 9.157 5.759 127 H ARG 15 HN ARG 15 11.983 1.270 3.926 128 HA ARG 15 HA ARG 15 14.142 0.314 5.724 129 HB2 ARG 15 HB2 ARG 15 12.921 -1.582 4.666 130 HB3 ARG 15 HB1 ARG 15 13.326 -0.920 3.082 131 HG2 ARG 15 HG2 ARG 15 15.718 -1.130 3.577 132 HG3 ARG 15 HG1 ARG 15 15.348 -1.720 5.196 133 HD2 ARG 15 HD2 ARG 15 14.167 -3.656 4.214 134 HD3 ARG 15 HD1 ARG 15 14.560 -3.071 2.599 135 HE ARG 15 HE ARG 15 16.968 -3.285 3.998 136 HH11 ARG 15 HH21 ARG 15 14.369 -5.293 2.910 137 HH12 ARG 15 HH22 ARG 15 15.356 -6.705 2.721 138 HH21 ARG 15 HH11 ARG 15 18.268 -5.131 3.754 139 HH22 ARG 15 HH12 ARG 15 17.563 -6.612 3.199 140 H CYS 16 HN CYS 16 14.875 2.561 5.397 141 HA CYS 16 HA CYS 16 16.111 2.996 2.742 142 HB2 CYS 16 HB2 CYS 16 14.508 4.706 4.047 143 HB3 CYS 16 HB1 CYS 16 16.037 5.180 4.776 144 H ARG 17 HN ARG 17 18.262 3.861 2.682 145 HA ARG 17 HA ARG 17 19.915 3.819 5.039 146 HB2 ARG 17 HB2 ARG 17 19.703 1.394 4.554 147 HB3 ARG 17 HB1 ARG 17 20.361 1.682 2.943 148 HG2 ARG 17 HG2 ARG 17 22.433 2.575 3.944 149 HG3 ARG 17 HG1 ARG 17 21.774 2.295 5.556 150 HD2 ARG 17 HD2 ARG 17 23.229 0.440 4.980 151 HD3 ARG 17 HD1 ARG 17 21.564 -0.132 4.990 152 HE ARG 17 HE ARG 17 22.236 0.701 2.374 153 HH11 ARG 17 HH21 ARG 17 22.939 -1.740 4.722 154 HH12 ARG 17 HH22 ARG 17 23.319 -2.957 3.548 155 HH21 ARG 17 HH11 ARG 17 22.735 -0.888 0.827 156 HH22 ARG 17 HH12 ARG 17 23.205 -2.473 1.344 157 HN1 NH2 18 HN1 NH2 18 19.734 3.946 1.479 158 HN2 NH2 18 HN2 NH2 18 21.048 5.003 1.298 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 19.863 7.392 -4.596 2 H2 LYS 1 HT2 LYS 1 19.584 5.801 -4.066 3 H3 LYS 1 HT3 LYS 1 20.921 6.673 -3.484 4 HA LYS 1 HA LYS 1 19.499 6.911 -1.725 5 HB2 LYS 1 HB2 LYS 1 18.579 9.144 -3.556 6 HB3 LYS 1 HB1 LYS 1 18.642 9.170 -1.795 7 HG2 LYS 1 HG2 LYS 1 21.066 8.846 -3.585 8 HG3 LYS 1 HG1 LYS 1 20.566 10.369 -2.851 9 HD2 LYS 1 HD2 LYS 1 20.655 9.109 -0.601 10 HD3 LYS 1 HD1 LYS 1 21.545 7.862 -1.475 11 HE2 LYS 1 HE2 LYS 1 23.200 9.555 -2.192 12 HE3 LYS 1 HE1 LYS 1 22.333 10.774 -1.260 13 HZ1 LYS 1 HZ1 LYS 1 23.415 8.275 -0.090 14 HZ2 LYS 1 HZ2 LYS 1 22.776 9.610 0.743 15 HZ3 LYS 1 HZ3 LYS 1 24.251 9.750 -0.087 16 H TRP 2 HN TRP 2 18.118 5.103 -1.776 17 HA TRP 2 HA TRP 2 15.335 5.772 -2.435 18 HB2 TRP 2 HB2 TRP 2 16.288 4.598 -4.425 19 HB3 TRP 2 HB1 TRP 2 16.640 3.215 -3.389 20 HD1 TRP 2 HD1 TRP 2 14.621 1.757 -2.537 21 HE1 TRP 2 HE1 TRP 2 12.148 1.598 -3.258 22 HE3 TRP 2 HE3 TRP 2 14.251 6.008 -5.338 23 HZ2 TRP 2 HZ2 TRP 2 10.265 3.084 -4.817 24 HZ3 TRP 2 HZ3 TRP 2 12.109 6.613 -6.429 25 HH2 TRP 2 HH2 TRP 2 10.118 5.158 -6.173 26 H CYS 3 HN CYS 3 13.969 5.081 -0.912 27 HA CYS 3 HA CYS 3 15.036 3.538 1.328 28 HB2 CYS 3 HB2 CYS 3 12.361 4.887 0.897 29 HB3 CYS 3 HB1 CYS 3 12.837 4.054 2.375 30 H PHE 4 HN PHE 4 13.785 1.729 2.230 31 HA PHE 4 HA PHE 4 12.381 0.172 0.122 32 HB2 PHE 4 HB2 PHE 4 14.326 -0.780 2.231 33 HB3 PHE 4 HB1 PHE 4 13.310 -1.852 1.271 34 HD1 PHE 4 HD2 PHE 4 13.580 -1.952 -1.210 35 HD2 PHE 4 HD1 PHE 4 16.260 0.290 1.287 36 HE1 PHE 4 HE2 PHE 4 15.225 -1.851 -3.065 37 HE2 PHE 4 HE1 PHE 4 17.904 0.391 -0.566 38 HZ PHE 4 HZ PHE 4 17.387 -0.680 -2.742 39 H ARG 5 HN ARG 5 10.570 -0.944 0.726 40 HA ARG 5 HA ARG 5 9.765 -1.100 3.502 41 HB2 ARG 5 HB2 ARG 5 7.525 0.096 2.834 42 HB3 ARG 5 HB1 ARG 5 8.930 1.070 3.268 43 HG2 ARG 5 HG2 ARG 5 9.492 1.415 0.934 44 HG3 ARG 5 HG1 ARG 5 8.223 0.303 0.421 45 HD2 ARG 5 HD2 ARG 5 7.435 2.596 0.170 46 HD3 ARG 5 HD1 ARG 5 6.528 1.797 1.450 47 HE ARG 5 HE ARG 5 8.801 3.175 2.500 48 HH11 ARG 5 HH21 ARG 5 5.604 3.580 1.239 49 HH12 ARG 5 HH22 ARG 5 5.299 5.046 2.110 50 HH21 ARG 5 HH11 ARG 5 8.408 5.098 3.642 51 HH22 ARG 5 HH12 ARG 5 6.885 5.905 3.470 52 H VAL 6 HN VAL 6 9.244 -3.214 3.484 53 HA VAL 6 HA VAL 6 7.305 -4.149 1.430 54 HB VAL 6 HB VAL 6 9.722 -5.572 2.554 55 HG11 VAL 6 HG11 VAL 6 7.272 -6.628 1.127 56 HG12 VAL 6 HG12 VAL 6 8.016 -7.230 2.608 57 HG13 VAL 6 HG13 VAL 6 8.814 -7.479 1.056 58 HG21 VAL 6 HG21 VAL 6 8.793 -4.849 -0.243 59 HG22 VAL 6 HG22 VAL 6 10.195 -5.859 0.110 60 HG23 VAL 6 HG23 VAL 6 10.177 -4.171 0.616 61 H CYS 7 HN CYS 7 5.502 -5.020 2.211 62 HA CYS 7 HA CYS 7 5.329 -5.523 5.118 63 HB2 CYS 7 HB2 CYS 7 3.021 -5.433 3.176 64 HB3 CYS 7 HB1 CYS 7 2.996 -5.221 4.926 65 H TYR 8 HN TYR 8 4.737 -7.493 5.926 66 HA TYR 8 HA TYR 8 3.976 -9.648 4.102 67 HB2 TYR 8 HB2 TYR 8 6.528 -9.541 4.207 68 HB3 TYR 8 HB1 TYR 8 6.379 -10.006 5.901 69 HD1 TYR 8 HD2 TYR 8 5.437 -12.200 6.530 70 HD2 TYR 8 HD1 TYR 8 6.020 -11.094 2.422 71 HE1 TYR 8 HE2 TYR 8 5.157 -14.569 5.853 72 HE2 TYR 8 HE1 TYR 8 5.740 -13.461 1.743 73 HH TYR 8 HH TYR 8 5.622 -15.583 2.487 74 H ARG 9 HN ARG 9 5.270 -9.319 7.417 75 HA ARG 9 HA ARG 9 3.339 -11.173 8.465 76 HB2 ARG 9 HB2 ARG 9 5.338 -9.346 9.814 77 HB3 ARG 9 HB1 ARG 9 4.320 -10.502 10.675 78 HG2 ARG 9 HG2 ARG 9 5.278 -12.344 9.349 79 HG3 ARG 9 HG1 ARG 9 6.288 -11.196 8.473 80 HD2 ARG 9 HD2 ARG 9 6.367 -11.563 11.479 81 HD3 ARG 9 HD1 ARG 9 7.473 -12.360 10.363 82 HE ARG 9 HE ARG 9 7.550 -9.609 9.823 83 HH11 ARG 9 HH21 ARG 9 8.304 -11.852 12.347 84 HH12 ARG 9 HH22 ARG 9 9.594 -10.897 12.999 85 HH21 ARG 9 HH11 ARG 9 9.239 -8.351 10.673 86 HH22 ARG 9 HH12 ARG 9 10.124 -8.916 12.052 87 H GLY 10 HN GLY 10 2.449 -8.588 7.171 88 HA2 GLY 10 HA2 GLY 10 0.478 -7.373 7.465 89 HA3 GLY 10 HA1 GLY 10 0.389 -7.964 9.123 90 H ILE 11 HN ILE 11 3.450 -7.007 8.956 91 HA ILE 11 HA ILE 11 2.827 -4.227 9.818 92 HB ILE 11 HB ILE 11 5.054 -6.078 10.697 93 HG12 ILE 11 HG12 ILE 11 2.778 -4.872 12.295 94 HG13 ILE 11 HG11 ILE 11 2.702 -6.483 11.585 95 HG21 ILE 11 HG21 ILE 11 5.924 -3.849 10.682 96 HG22 ILE 11 HG22 ILE 11 5.442 -4.167 12.348 97 HG23 ILE 11 HG23 ILE 11 4.414 -3.182 11.306 98 HD11 ILE 11 HD11 ILE 11 4.809 -5.534 13.549 99 HD12 ILE 11 HD12 ILE 11 4.707 -7.150 12.849 100 HD13 ILE 11 HD13 ILE 11 3.446 -6.580 13.942 101 H CYS 12 HN CYS 12 3.494 -2.720 8.460 102 HA CYS 12 HA CYS 12 5.485 -3.338 6.420 103 HB2 CYS 12 HB2 CYS 12 3.881 -0.822 6.938 104 HB3 CYS 12 HB1 CYS 12 4.914 -1.109 5.538 105 H TYR 13 HN TYR 13 7.545 -2.697 6.430 106 HA TYR 13 HA TYR 13 8.475 -1.003 8.684 107 HB2 TYR 13 HB2 TYR 13 9.878 -3.142 7.072 108 HB3 TYR 13 HB1 TYR 13 10.698 -2.077 8.215 109 HD1 TYR 13 HD2 TYR 13 10.123 -2.141 10.633 110 HD2 TYR 13 HD1 TYR 13 8.459 -4.936 7.829 111 HE1 TYR 13 HE2 TYR 13 9.427 -3.608 12.508 112 HE2 TYR 13 HE1 TYR 13 7.762 -6.403 9.704 113 HH TYR 13 HH TYR 13 8.884 -6.521 12.458 114 H ARG 14 HN ARG 14 10.228 0.483 8.258 115 HA ARG 14 HA ARG 14 10.467 1.306 5.418 116 HB2 ARG 14 HB2 ARG 14 8.848 2.782 6.599 117 HB3 ARG 14 HB1 ARG 14 10.109 3.190 7.762 118 HG2 ARG 14 HG2 ARG 14 11.521 4.067 5.937 119 HG3 ARG 14 HG1 ARG 14 10.266 3.651 4.769 120 HD2 ARG 14 HD2 ARG 14 8.693 5.149 6.023 121 HD3 ARG 14 HD1 ARG 14 10.042 5.643 7.040 122 HE ARG 14 HE ARG 14 9.519 6.516 4.346 123 HH11 ARG 14 HH21 ARG 14 11.954 5.860 6.717 124 HH12 ARG 14 HH22 ARG 14 13.099 6.974 6.048 125 HH21 ARG 14 HH11 ARG 14 11.017 7.978 3.465 126 HH22 ARG 14 HH12 ARG 14 12.569 8.174 4.209 127 H ARG 15 HN ARG 15 12.498 1.579 4.774 128 HA ARG 15 HA ARG 15 14.578 2.192 6.785 129 HB2 ARG 15 HB2 ARG 15 14.698 -0.043 4.748 130 HB3 ARG 15 HB1 ARG 15 16.067 0.516 5.712 131 HG2 ARG 15 HG2 ARG 15 14.874 -0.047 7.778 132 HG3 ARG 15 HG1 ARG 15 13.462 -0.544 6.847 133 HD2 ARG 15 HD2 ARG 15 14.734 -2.527 7.445 134 HD3 ARG 15 HD1 ARG 15 14.872 -2.265 5.710 135 HE ARG 15 HE ARG 15 17.138 -1.767 5.998 136 HH11 ARG 15 HH21 ARG 15 15.458 -1.939 9.018 137 HH12 ARG 15 HH22 ARG 15 16.900 -1.929 9.979 138 HH21 ARG 15 HH11 ARG 15 19.033 -1.758 7.250 139 HH22 ARG 15 HH12 ARG 15 18.925 -1.827 8.978 140 H CYS 16 HN CYS 16 16.214 3.477 6.060 141 HA CYS 16 HA CYS 16 16.302 4.153 3.187 142 HB2 CYS 16 HB2 CYS 16 16.141 6.162 5.446 143 HB3 CYS 16 HB1 CYS 16 16.459 6.552 3.756 144 H ARG 17 HN ARG 17 18.293 5.191 2.542 145 HA ARG 17 HA ARG 17 20.506 5.269 4.407 146 HB2 ARG 17 HB2 ARG 17 20.364 2.852 3.840 147 HB3 ARG 17 HB1 ARG 17 20.563 3.269 2.139 148 HG2 ARG 17 HG2 ARG 17 22.745 4.288 2.617 149 HG3 ARG 17 HG1 ARG 17 22.542 3.940 4.335 150 HD2 ARG 17 HD2 ARG 17 23.950 2.224 3.322 151 HD3 ARG 17 HD1 ARG 17 22.411 1.515 3.801 152 HE ARG 17 HE ARG 17 22.266 2.392 1.104 153 HH11 ARG 17 HH21 ARG 17 23.695 -0.011 3.145 154 HH12 ARG 17 HH22 ARG 17 23.787 -1.212 1.900 155 HH21 ARG 17 HH11 ARG 17 22.379 0.820 -0.532 156 HH22 ARG 17 HH12 ARG 17 23.040 -0.741 -0.181 157 HN1 NH2 18 HN1 NH2 18 20.633 4.670 0.883 158 HN2 NH2 18 HN2 NH2 18 21.235 6.209 0.497 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 19.694 6.319 -1.484 2 H2 LYS 1 HT2 LYS 1 18.696 6.595 -0.139 3 H3 LYS 1 HT3 LYS 1 19.784 7.795 -0.652 4 HA LYS 1 HA LYS 1 17.601 8.419 -1.352 5 HB2 LYS 1 HB2 LYS 1 19.523 8.843 -2.884 6 HB3 LYS 1 HB1 LYS 1 19.188 7.308 -3.687 7 HG2 LYS 1 HG2 LYS 1 16.950 8.085 -4.306 8 HG3 LYS 1 HG1 LYS 1 17.219 9.602 -3.446 9 HD2 LYS 1 HD2 LYS 1 19.109 10.118 -4.954 10 HD3 LYS 1 HD1 LYS 1 18.818 8.610 -5.823 11 HE2 LYS 1 HE2 LYS 1 16.572 9.373 -6.446 12 HE3 LYS 1 HE1 LYS 1 16.809 10.864 -5.534 13 HZ1 LYS 1 HZ1 LYS 1 18.664 10.060 -7.689 14 HZ2 LYS 1 HZ2 LYS 1 18.426 11.602 -7.013 15 HZ3 LYS 1 HZ3 LYS 1 17.243 10.923 -8.026 16 H TRP 2 HN TRP 2 18.469 5.100 -1.971 17 HA TRP 2 HA TRP 2 15.778 4.493 -3.029 18 HB2 TRP 2 HB2 TRP 2 18.224 2.717 -2.860 19 HB3 TRP 2 HB1 TRP 2 16.718 2.364 -3.709 20 HD1 TRP 2 HD1 TRP 2 19.724 4.738 -3.827 21 HE1 TRP 2 HE1 TRP 2 19.947 5.663 -6.222 22 HE3 TRP 2 HE3 TRP 2 15.495 2.788 -5.918 23 HZ2 TRP 2 HZ2 TRP 2 18.519 5.583 -8.701 24 HZ3 TRP 2 HZ3 TRP 2 14.950 3.228 -8.296 25 HH2 TRP 2 HH2 TRP 2 16.456 4.621 -9.688 26 H CYS 3 HN CYS 3 14.463 4.403 -1.259 27 HA CYS 3 HA CYS 3 15.274 2.749 1.046 28 HB2 CYS 3 HB2 CYS 3 14.249 5.089 1.290 29 HB3 CYS 3 HB1 CYS 3 12.727 4.347 0.799 30 H PHE 4 HN PHE 4 14.063 0.998 1.729 31 HA PHE 4 HA PHE 4 12.253 -0.174 -0.314 32 HB2 PHE 4 HB2 PHE 4 14.085 -1.440 1.730 33 HB3 PHE 4 HB1 PHE 4 12.846 -2.343 0.861 34 HD1 PHE 4 HD2 PHE 4 12.958 -2.590 -1.603 35 HD2 PHE 4 HD1 PHE 4 16.085 -0.670 0.626 36 HE1 PHE 4 HE2 PHE 4 14.473 -2.794 -3.555 37 HE2 PHE 4 HE1 PHE 4 17.602 -0.871 -1.324 38 HZ PHE 4 HZ PHE 4 16.795 -1.932 -3.416 39 H ARG 5 HN ARG 5 10.187 -0.308 0.199 40 HA ARG 5 HA ARG 5 9.403 -0.600 3.035 41 HB2 ARG 5 HB2 ARG 5 9.147 1.778 2.367 42 HB3 ARG 5 HB1 ARG 5 8.092 1.274 1.049 43 HG2 ARG 5 HG2 ARG 5 6.525 0.277 2.670 44 HG3 ARG 5 HG1 ARG 5 7.584 0.761 3.995 45 HD2 ARG 5 HD2 ARG 5 7.328 3.139 3.260 46 HD3 ARG 5 HD1 ARG 5 6.161 2.602 2.053 47 HE ARG 5 HE ARG 5 5.734 2.785 4.927 48 HH11 ARG 5 HH21 ARG 5 4.745 1.458 1.887 49 HH12 ARG 5 HH22 ARG 5 3.114 1.163 2.387 50 HH21 ARG 5 HH11 ARG 5 3.597 2.395 5.594 51 HH22 ARG 5 HH12 ARG 5 2.465 1.692 4.487 52 H VAL 6 HN VAL 6 8.537 -2.584 3.062 53 HA VAL 6 HA VAL 6 6.284 -3.151 1.267 54 HB VAL 6 HB VAL 6 8.145 -4.169 0.095 55 HG11 VAL 6 HG11 VAL 6 9.593 -5.825 1.207 56 HG12 VAL 6 HG12 VAL 6 8.750 -5.540 2.730 57 HG13 VAL 6 HG13 VAL 6 9.710 -4.255 2.000 58 HG21 VAL 6 HG21 VAL 6 5.938 -5.427 0.425 59 HG22 VAL 6 HG22 VAL 6 6.777 -6.380 1.647 60 HG23 VAL 6 HG23 VAL 6 7.327 -6.413 -0.029 61 H CYS 7 HN CYS 7 4.727 -4.426 2.197 62 HA CYS 7 HA CYS 7 5.099 -5.073 5.065 63 HB2 CYS 7 HB2 CYS 7 2.503 -4.975 3.515 64 HB3 CYS 7 HB1 CYS 7 2.721 -4.959 5.263 65 H TYR 8 HN TYR 8 5.119 -7.159 5.722 66 HA TYR 8 HA TYR 8 3.892 -9.248 4.075 67 HB2 TYR 8 HB2 TYR 8 6.238 -8.999 3.226 68 HB3 TYR 8 HB1 TYR 8 6.816 -9.400 4.842 69 HD1 TYR 8 HD1 TYR 8 4.857 -10.670 1.950 70 HD2 TYR 8 HD2 TYR 8 6.822 -11.655 5.640 71 HE1 TYR 8 HE1 TYR 8 4.596 -13.082 1.442 72 HE2 TYR 8 HE2 TYR 8 6.563 -14.069 5.132 73 HH TYR 8 HH TYR 8 5.166 -15.159 2.049 74 H ARG 9 HN ARG 9 6.058 -8.720 6.862 75 HA ARG 9 HA ARG 9 5.023 -10.968 8.311 76 HB2 ARG 9 HB2 ARG 9 6.754 -8.627 9.143 77 HB3 ARG 9 HB1 ARG 9 6.341 -9.970 10.212 78 HG2 ARG 9 HG2 ARG 9 7.359 -11.560 8.639 79 HG3 ARG 9 HG1 ARG 9 7.752 -10.237 7.540 80 HD2 ARG 9 HD2 ARG 9 9.153 -9.204 9.302 81 HD3 ARG 9 HD1 ARG 9 8.783 -10.554 10.374 82 HE ARG 9 HE ARG 9 9.900 -11.401 7.857 83 HH11 ARG 9 HH21 ARG 9 10.567 -10.174 11.022 84 HH12 ARG 9 HH22 ARG 9 12.168 -10.835 11.092 85 HH21 ARG 9 HH11 ARG 9 11.999 -12.264 7.938 86 HH22 ARG 9 HH12 ARG 9 12.979 -12.016 9.343 87 H GLY 10 HN GLY 10 3.195 -8.714 7.401 88 HA2 GLY 10 HA2 GLY 10 1.156 -7.967 8.206 89 HA3 GLY 10 HA1 GLY 10 1.555 -8.669 9.771 90 H ILE 11 HN ILE 11 4.165 -6.893 8.879 91 HA ILE 11 HA ILE 11 3.181 -4.408 10.181 92 HB ILE 11 HB ILE 11 5.860 -5.776 10.536 93 HG12 ILE 11 HG12 ILE 11 3.653 -5.237 12.543 94 HG13 ILE 11 HG11 ILE 11 3.860 -6.780 11.716 95 HG21 ILE 11 HG21 ILE 11 6.112 -3.932 12.285 96 HG22 ILE 11 HG22 ILE 11 4.719 -3.151 11.534 97 HG23 ILE 11 HG23 ILE 11 6.197 -3.400 10.605 98 HD11 ILE 11 HD11 ILE 11 6.031 -7.107 12.696 99 HD12 ILE 11 HD12 ILE 11 4.939 -6.655 14.004 100 HD13 ILE 11 HD13 ILE 11 6.053 -5.463 13.335 101 H CYS 12 HN CYS 12 3.509 -2.613 9.043 102 HA CYS 12 HA CYS 12 5.155 -2.737 6.609 103 HB2 CYS 12 HB2 CYS 12 3.206 -0.657 7.625 104 HB3 CYS 12 HB1 CYS 12 4.079 -0.556 6.096 105 H TYR 13 HN TYR 13 7.104 -1.843 6.490 106 HA TYR 13 HA TYR 13 7.824 0.425 8.190 107 HB2 TYR 13 HB2 TYR 13 8.364 -1.658 9.502 108 HB3 TYR 13 HB1 TYR 13 9.496 -2.096 8.223 109 HD1 TYR 13 HD1 TYR 13 8.628 0.700 10.551 110 HD2 TYR 13 HD2 TYR 13 11.700 -1.243 8.260 111 HE1 TYR 13 HE1 TYR 13 10.328 2.190 11.566 112 HE2 TYR 13 HE2 TYR 13 13.401 0.250 9.277 113 HH TYR 13 HH TYR 13 12.547 2.513 11.862 114 H ARG 14 HN ARG 14 9.956 1.311 7.593 115 HA ARG 14 HA ARG 14 10.715 0.693 4.790 116 HB2 ARG 14 HB2 ARG 14 11.070 3.106 4.444 117 HB3 ARG 14 HB1 ARG 14 9.390 2.762 4.856 118 HG2 ARG 14 HG2 ARG 14 9.861 3.348 7.217 119 HG3 ARG 14 HG1 ARG 14 11.524 3.739 6.778 120 HD2 ARG 14 HD2 ARG 14 10.702 5.458 5.209 121 HD3 ARG 14 HD1 ARG 14 9.044 5.083 5.669 122 HE ARG 14 HE ARG 14 11.002 6.551 7.254 123 HH11 ARG 14 HH21 ARG 14 7.995 4.839 7.121 124 HH12 ARG 14 HH22 ARG 14 7.352 5.586 8.546 125 HH21 ARG 14 HH11 ARG 14 10.163 7.530 9.123 126 HH22 ARG 14 HH12 ARG 14 8.578 7.107 9.679 127 H ARG 15 HN ARG 15 12.870 0.725 4.322 128 HA ARG 15 HA ARG 15 14.747 1.260 6.569 129 HB2 ARG 15 HB2 ARG 15 14.879 -0.899 4.451 130 HB3 ARG 15 HB1 ARG 15 16.157 -0.547 5.615 131 HG2 ARG 15 HG2 ARG 15 14.647 -1.052 7.472 132 HG3 ARG 15 HG1 ARG 15 13.318 -1.323 6.345 133 HD2 ARG 15 HD2 ARG 15 14.270 -3.472 6.994 134 HD3 ARG 15 HD1 ARG 15 14.627 -3.165 5.296 135 HE ARG 15 HE ARG 15 16.747 -2.201 6.920 136 HH11 ARG 15 HH21 ARG 15 15.251 -5.105 5.780 137 HH12 ARG 15 HH22 ARG 15 16.708 -6.041 5.834 138 HH21 ARG 15 HH11 ARG 15 18.661 -3.419 6.991 139 HH22 ARG 15 HH12 ARG 15 18.640 -5.085 6.520 140 H CYS 16 HN CYS 16 15.023 3.405 5.761 141 HA CYS 16 HA CYS 16 16.190 3.710 3.084 142 HB2 CYS 16 HB2 CYS 16 15.757 5.922 5.086 143 HB3 CYS 16 HB1 CYS 16 15.798 6.014 3.325 144 H ARG 17 HN ARG 17 18.255 4.559 2.728 145 HA ARG 17 HA ARG 17 20.030 5.045 4.990 146 HB2 ARG 17 HB2 ARG 17 20.096 2.576 4.693 147 HB3 ARG 17 HB1 ARG 17 20.611 2.817 3.023 148 HG2 ARG 17 HG2 ARG 17 22.613 4.019 3.798 149 HG3 ARG 17 HG1 ARG 17 22.098 3.813 5.473 150 HD2 ARG 17 HD2 ARG 17 22.631 1.526 3.559 151 HD3 ARG 17 HD1 ARG 17 23.792 2.118 4.743 152 HE ARG 17 HE ARG 17 21.387 1.539 6.084 153 HH11 ARG 17 HH21 ARG 17 23.935 -0.018 4.337 154 HH12 ARG 17 HH22 ARG 17 23.796 -1.516 5.196 155 HH21 ARG 17 HH11 ARG 17 21.196 -0.421 7.214 156 HH22 ARG 17 HH12 ARG 17 22.245 -1.745 6.825 157 HN1 NH2 18 HN1 NH2 18 19.355 5.133 1.546 158 HN2 NH2 18 HN2 NH2 18 20.598 6.218 1.151 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 19.903 4.800 -3.460 2 H2 LYS 1 HT2 LYS 1 20.937 6.146 -3.378 3 H3 LYS 1 HT3 LYS 1 20.032 5.850 -4.786 4 HA LYS 1 HA LYS 1 19.082 6.795 -2.152 5 HB2 LYS 1 HB2 LYS 1 19.815 8.452 -3.854 6 HB3 LYS 1 HB1 LYS 1 18.648 7.775 -4.990 7 HG2 LYS 1 HG2 LYS 1 16.806 8.347 -3.478 8 HG3 LYS 1 HG1 LYS 1 17.951 8.969 -2.291 9 HD2 LYS 1 HD2 LYS 1 18.715 10.665 -3.921 10 HD3 LYS 1 HD1 LYS 1 17.552 10.051 -5.097 11 HE2 LYS 1 HE2 LYS 1 15.701 10.605 -3.573 12 HE3 LYS 1 HE1 LYS 1 16.852 11.194 -2.374 13 HZ1 LYS 1 HZ1 LYS 1 15.904 12.450 -4.794 14 HZ2 LYS 1 HZ2 LYS 1 17.587 12.548 -4.573 15 HZ3 LYS 1 HZ3 LYS 1 16.536 13.148 -3.382 16 H TRP 2 HN TRP 2 17.976 4.745 -1.770 17 HA TRP 2 HA TRP 2 15.297 4.777 -2.889 18 HB2 TRP 2 HB2 TRP 2 16.621 3.385 -4.499 19 HB3 TRP 2 HB1 TRP 2 16.984 2.280 -3.174 20 HD1 TRP 2 HD1 TRP 2 15.015 0.805 -2.211 21 HE1 TRP 2 HE1 TRP 2 12.695 0.181 -3.147 22 HE3 TRP 2 HE3 TRP 2 14.612 4.267 -5.942 23 HZ2 TRP 2 HZ2 TRP 2 10.905 1.040 -5.206 24 HZ3 TRP 2 HZ3 TRP 2 12.592 4.341 -7.376 25 HH2 TRP 2 HH2 TRP 2 10.739 2.733 -7.011 26 H CYS 3 HN CYS 3 13.981 4.510 -1.219 27 HA CYS 3 HA CYS 3 14.981 3.282 1.244 28 HB2 CYS 3 HB2 CYS 3 12.304 4.581 0.705 29 HB3 CYS 3 HB1 CYS 3 12.989 4.182 2.278 30 H PHE 4 HN PHE 4 13.876 1.588 2.325 31 HA PHE 4 HA PHE 4 12.366 -0.186 0.497 32 HB2 PHE 4 HB2 PHE 4 14.097 -0.816 2.895 33 HB3 PHE 4 HB1 PHE 4 13.118 -2.004 2.034 34 HD1 PHE 4 HD2 PHE 4 13.543 -2.406 -0.430 35 HD2 PHE 4 HD1 PHE 4 16.197 -0.097 2.035 36 HE1 PHE 4 HE2 PHE 4 15.340 -2.666 -2.120 37 HE2 PHE 4 HE1 PHE 4 17.993 -0.357 0.344 38 HZ PHE 4 HZ PHE 4 17.565 -1.641 -1.732 39 H ARG 5 HN ARG 5 10.272 -0.368 0.897 40 HA ARG 5 HA ARG 5 9.319 -0.461 3.664 41 HB2 ARG 5 HB2 ARG 5 7.417 1.133 2.930 42 HB3 ARG 5 HB1 ARG 5 8.983 1.839 3.330 43 HG2 ARG 5 HG2 ARG 5 9.585 1.844 0.923 44 HG3 ARG 5 HG1 ARG 5 7.997 1.185 0.538 45 HD2 ARG 5 HD2 ARG 5 8.468 3.803 1.983 46 HD3 ARG 5 HD1 ARG 5 8.118 3.661 0.263 47 HE ARG 5 HE ARG 5 6.235 3.320 2.452 48 HH11 ARG 5 HH21 ARG 5 7.012 2.739 -0.871 49 HH12 ARG 5 HH22 ARG 5 5.366 2.526 -1.362 50 HH21 ARG 5 HH11 ARG 5 4.073 3.042 1.814 51 HH22 ARG 5 HH12 ARG 5 3.700 2.698 0.158 52 H VAL 6 HN VAL 6 9.033 -2.701 3.018 53 HA VAL 6 HA VAL 6 6.580 -3.095 1.392 54 HB VAL 6 HB VAL 6 9.083 -4.790 1.485 55 HG11 VAL 6 HG11 VAL 6 6.318 -5.338 0.383 56 HG12 VAL 6 HG12 VAL 6 7.249 -6.328 1.508 57 HG13 VAL 6 HG13 VAL 6 7.749 -6.204 -0.175 58 HG21 VAL 6 HG21 VAL 6 7.630 -3.514 -0.852 59 HG22 VAL 6 HG22 VAL 6 9.208 -4.299 -0.877 60 HG23 VAL 6 HG23 VAL 6 9.000 -2.765 -0.034 61 H CYS 7 HN CYS 7 5.011 -4.278 2.298 62 HA CYS 7 HA CYS 7 5.382 -5.158 5.053 63 HB2 CYS 7 HB2 CYS 7 3.141 -4.377 3.351 64 HB3 CYS 7 HB1 CYS 7 2.785 -5.845 4.257 65 H TYR 8 HN TYR 8 5.165 -7.247 5.793 66 HA TYR 8 HA TYR 8 4.755 -9.403 3.839 67 HB2 TYR 8 HB2 TYR 8 7.243 -8.854 4.021 68 HB3 TYR 8 HB1 TYR 8 7.146 -9.432 5.685 69 HD1 TYR 8 HD1 TYR 8 6.590 -10.407 2.135 70 HD2 TYR 8 HD2 TYR 8 7.067 -11.762 6.181 71 HE1 TYR 8 HE1 TYR 8 6.761 -12.747 1.331 72 HE2 TYR 8 HE2 TYR 8 7.239 -14.100 5.380 73 HH TYR 8 HH TYR 8 7.853 -15.288 3.302 74 H ARG 9 HN ARG 9 5.754 -8.855 7.228 75 HA ARG 9 HA ARG 9 4.172 -11.121 8.119 76 HB2 ARG 9 HB2 ARG 9 5.817 -9.079 9.634 77 HB3 ARG 9 HB1 ARG 9 5.017 -10.468 10.371 78 HG2 ARG 9 HG2 ARG 9 6.308 -11.984 8.901 79 HG3 ARG 9 HG1 ARG 9 7.127 -10.590 8.199 80 HD2 ARG 9 HD2 ARG 9 7.170 -11.246 11.152 81 HD3 ARG 9 HD1 ARG 9 8.432 -11.736 10.026 82 HE ARG 9 HE ARG 9 7.945 -9.048 11.030 83 HH11 ARG 9 HH21 ARG 9 9.396 -11.072 8.627 84 HH12 ARG 9 HH22 ARG 9 10.592 -9.907 8.168 85 HH21 ARG 9 HH11 ARG 9 9.512 -7.515 10.434 86 HH22 ARG 9 HH12 ARG 9 10.657 -7.891 9.193 87 H GLY 10 HN GLY 10 2.999 -8.543 6.949 88 HA2 GLY 10 HA2 GLY 10 0.817 -7.713 7.263 89 HA3 GLY 10 HA1 GLY 10 0.843 -8.309 8.918 90 H ILE 11 HN ILE 11 3.730 -6.903 8.691 91 HA ILE 11 HA ILE 11 2.724 -4.211 9.447 92 HB ILE 11 HB ILE 11 5.053 -5.752 10.614 93 HG12 ILE 11 HG12 ILE 11 2.498 -4.798 11.937 94 HG13 ILE 11 HG11 ILE 11 2.698 -6.428 11.299 95 HG21 ILE 11 HG21 ILE 11 5.006 -3.746 12.220 96 HG22 ILE 11 HG22 ILE 11 4.011 -2.937 11.009 97 HG23 ILE 11 HG23 ILE 11 5.652 -3.444 10.608 98 HD11 ILE 11 HD11 ILE 11 4.732 -6.680 12.752 99 HD12 ILE 11 HD12 ILE 11 3.235 -6.474 13.663 100 HD13 ILE 11 HD13 ILE 11 4.349 -5.119 13.477 101 H CYS 12 HN CYS 12 3.551 -2.551 8.357 102 HA CYS 12 HA CYS 12 5.584 -3.063 6.330 103 HB2 CYS 12 HB2 CYS 12 3.839 -0.688 6.980 104 HB3 CYS 12 HB1 CYS 12 5.101 -0.633 5.750 105 H TYR 13 HN TYR 13 7.671 -2.813 6.727 106 HA TYR 13 HA TYR 13 8.509 -1.039 8.945 107 HB2 TYR 13 HB2 TYR 13 9.978 -3.279 7.544 108 HB3 TYR 13 HB1 TYR 13 10.640 -2.291 8.842 109 HD1 TYR 13 HD2 TYR 13 9.760 -2.449 11.132 110 HD2 TYR 13 HD1 TYR 13 8.250 -4.940 7.976 111 HE1 TYR 13 HE2 TYR 13 8.673 -3.918 12.809 112 HE2 TYR 13 HE1 TYR 13 7.163 -6.408 9.654 113 HH TYR 13 HH TYR 13 6.326 -6.190 12.017 114 H ARG 14 HN ARG 14 9.655 0.746 8.549 115 HA ARG 14 HA ARG 14 10.344 1.365 5.750 116 HB2 ARG 14 HB2 ARG 14 10.111 3.144 8.193 117 HB3 ARG 14 HB1 ARG 14 10.536 3.698 6.573 118 HG2 ARG 14 HG2 ARG 14 8.391 2.882 5.705 119 HG3 ARG 14 HG1 ARG 14 7.962 2.270 7.303 120 HD2 ARG 14 HD2 ARG 14 8.576 5.176 6.713 121 HD3 ARG 14 HD1 ARG 14 6.947 4.506 6.776 122 HE ARG 14 HE ARG 14 8.267 3.828 9.167 123 HH11 ARG 14 HH21 ARG 14 7.100 6.585 7.434 124 HH12 ARG 14 HH22 ARG 14 6.785 7.520 8.856 125 HH21 ARG 14 HH11 ARG 14 7.859 5.050 11.039 126 HH22 ARG 14 HH12 ARG 14 7.216 6.651 10.898 127 H ARG 15 HN ARG 15 12.399 1.604 5.083 128 HA ARG 15 HA ARG 15 14.556 2.033 6.999 129 HB2 ARG 15 HB2 ARG 15 14.255 -0.432 6.973 130 HB3 ARG 15 HB1 ARG 15 14.522 -0.423 5.230 131 HG2 ARG 15 HG2 ARG 15 16.760 0.551 5.567 132 HG3 ARG 15 HG1 ARG 15 16.494 0.569 7.310 133 HD2 ARG 15 HD2 ARG 15 16.429 -1.928 5.595 134 HD3 ARG 15 HD1 ARG 15 17.826 -1.402 6.531 135 HE ARG 15 HE ARG 15 15.387 -2.592 7.573 136 HH11 ARG 15 HH21 ARG 15 18.221 -0.701 8.182 137 HH12 ARG 15 HH22 ARG 15 18.250 -1.037 9.881 138 HH21 ARG 15 HH11 ARG 15 15.418 -3.037 9.800 139 HH22 ARG 15 HH12 ARG 15 16.662 -2.360 10.798 140 H CYS 16 HN CYS 16 15.875 3.481 6.133 141 HA CYS 16 HA CYS 16 16.501 3.365 3.264 142 HB2 CYS 16 HB2 CYS 16 14.529 5.007 3.898 143 HB3 CYS 16 HB1 CYS 16 15.849 6.053 4.417 144 H ARG 17 HN ARG 17 18.249 5.029 2.747 145 HA ARG 17 HA ARG 17 19.913 5.925 4.916 146 HB2 ARG 17 HB2 ARG 17 20.479 3.521 4.887 147 HB3 ARG 17 HB1 ARG 17 20.919 3.657 3.183 148 HG2 ARG 17 HG2 ARG 17 22.665 5.288 3.740 149 HG3 ARG 17 HG1 ARG 17 22.205 5.218 5.441 150 HD2 ARG 17 HD2 ARG 17 22.710 2.754 5.393 151 HD3 ARG 17 HD1 ARG 17 23.338 2.967 3.761 152 HE ARG 17 HE ARG 17 24.541 4.762 5.669 153 HH11 ARG 17 HH21 ARG 17 24.553 1.577 4.319 154 HH12 ARG 17 HH22 ARG 17 26.221 1.280 4.680 155 HH21 ARG 17 HH11 ARG 17 26.730 4.380 6.146 156 HH22 ARG 17 HH12 ARG 17 27.453 2.868 5.714 157 HN1 NH2 18 HN1 NH2 18 19.297 5.551 1.478 158 HN2 NH2 18 HN2 NH2 18 20.320 6.809 0.976 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 19.970 7.851 -3.379 2 H2 LYS 1 HT2 LYS 1 20.282 9.381 -2.711 3 H3 LYS 1 HT3 LYS 1 18.859 9.113 -3.601 4 HA LYS 1 HA LYS 1 19.516 7.740 -1.054 5 HB2 LYS 1 HB2 LYS 1 19.182 10.211 -0.802 6 HB3 LYS 1 HB1 LYS 1 17.592 10.031 -1.547 7 HG2 LYS 1 HG2 LYS 1 16.888 8.518 0.241 8 HG3 LYS 1 HG1 LYS 1 18.493 8.595 0.966 9 HD2 LYS 1 HD2 LYS 1 18.220 11.027 1.314 10 HD3 LYS 1 HD1 LYS 1 16.607 10.942 0.604 11 HE2 LYS 1 HE2 LYS 1 15.899 9.385 2.378 12 HE3 LYS 1 HE1 LYS 1 17.512 9.452 3.086 13 HZ1 LYS 1 HZ1 LYS 1 15.452 11.096 3.709 14 HZ2 LYS 1 HZ2 LYS 1 16.358 12.043 2.628 15 HZ3 LYS 1 HZ3 LYS 1 17.088 11.411 4.028 16 H TRP 2 HN TRP 2 18.753 5.752 -1.750 17 HA TRP 2 HA TRP 2 15.964 5.658 -2.748 18 HB2 TRP 2 HB2 TRP 2 18.140 3.561 -2.919 19 HB3 TRP 2 HB1 TRP 2 16.515 3.430 -3.590 20 HD1 TRP 2 HD1 TRP 2 15.921 5.767 -5.214 21 HE1 TRP 2 HE1 TRP 2 17.399 6.659 -7.129 22 HE3 TRP 2 HE3 TRP 2 20.393 3.664 -3.928 23 HZ2 TRP 2 HZ2 TRP 2 20.119 6.500 -7.999 24 HZ3 TRP 2 HZ3 TRP 2 22.409 4.051 -5.317 25 HH2 TRP 2 HH2 TRP 2 22.279 5.465 -7.349 26 H CYS 3 HN CYS 3 14.449 4.436 -1.704 27 HA CYS 3 HA CYS 3 15.278 3.116 0.818 28 HB2 CYS 3 HB2 CYS 3 14.032 5.418 0.953 29 HB3 CYS 3 HB1 CYS 3 12.609 4.456 0.566 30 H PHE 4 HN PHE 4 13.856 1.418 1.539 31 HA PHE 4 HA PHE 4 12.150 0.266 -0.591 32 HB2 PHE 4 HB2 PHE 4 14.201 -1.204 1.080 33 HB3 PHE 4 HB1 PHE 4 13.027 -1.974 0.014 34 HD1 PHE 4 HD2 PHE 4 13.150 -1.668 -2.435 35 HD2 PHE 4 HD1 PHE 4 16.112 -0.006 0.197 36 HE1 PHE 4 HE2 PHE 4 14.663 -1.301 -4.366 37 HE2 PHE 4 HE1 PHE 4 17.623 0.361 -1.735 38 HZ PHE 4 HZ PHE 4 16.898 -0.286 -4.016 39 H ARG 5 HN ARG 5 10.453 -1.078 0.148 40 HA ARG 5 HA ARG 5 9.957 -1.131 3.048 41 HB2 ARG 5 HB2 ARG 5 7.637 -0.338 2.690 42 HB3 ARG 5 HB1 ARG 5 8.833 0.893 2.277 43 HG2 ARG 5 HG2 ARG 5 8.653 0.271 -0.107 44 HG3 ARG 5 HG1 ARG 5 7.444 -0.945 0.304 45 HD2 ARG 5 HD2 ARG 5 6.304 1.061 -0.452 46 HD3 ARG 5 HD1 ARG 5 6.013 0.848 1.273 47 HE ARG 5 HE ARG 5 8.294 2.495 0.872 48 HH11 ARG 5 HH21 ARG 5 4.846 2.442 0.594 49 HH12 ARG 5 HH22 ARG 5 4.662 4.146 0.851 50 HH21 ARG 5 HH11 ARG 5 8.061 4.728 1.211 51 HH22 ARG 5 HH12 ARG 5 6.482 5.438 1.201 52 H VAL 6 HN VAL 6 8.904 -2.933 3.724 53 HA VAL 6 HA VAL 6 7.560 -4.647 1.754 54 HB VAL 6 HB VAL 6 9.825 -5.495 1.707 55 HG11 VAL 6 HG11 VAL 6 10.574 -4.489 3.843 56 HG12 VAL 6 HG12 VAL 6 10.963 -6.208 3.769 57 HG13 VAL 6 HG13 VAL 6 9.590 -5.655 4.727 58 HG21 VAL 6 HG21 VAL 6 7.805 -7.076 1.920 59 HG22 VAL 6 HG22 VAL 6 8.298 -7.295 3.598 60 HG23 VAL 6 HG23 VAL 6 9.387 -7.762 2.291 61 H CYS 7 HN CYS 7 5.893 -5.791 2.599 62 HA CYS 7 HA CYS 7 5.373 -5.445 5.494 63 HB2 CYS 7 HB2 CYS 7 3.543 -5.668 3.112 64 HB3 CYS 7 HB1 CYS 7 2.967 -5.942 4.756 65 H TYR 8 HN TYR 8 5.208 -7.193 6.753 66 HA TYR 8 HA TYR 8 5.384 -9.843 5.468 67 HB2 TYR 8 HB2 TYR 8 6.095 -8.828 8.219 68 HB3 TYR 8 HB1 TYR 8 5.976 -10.551 7.859 69 HD1 TYR 8 HD2 TYR 8 7.484 -11.598 6.188 70 HD2 TYR 8 HD1 TYR 8 7.915 -7.491 7.369 71 HE1 TYR 8 HE2 TYR 8 9.760 -11.555 5.204 72 HE2 TYR 8 HE1 TYR 8 10.192 -7.450 6.383 73 HH TYR 8 HH TYR 8 12.019 -9.652 5.887 74 H ARG 9 HN ARG 9 2.887 -8.695 5.328 75 HA ARG 9 HA ARG 9 0.675 -9.024 5.856 76 HB2 ARG 9 HB2 ARG 9 1.720 -11.665 6.904 77 HB3 ARG 9 HB1 ARG 9 0.064 -11.315 6.421 78 HG2 ARG 9 HG2 ARG 9 2.352 -10.921 4.487 79 HG3 ARG 9 HG1 ARG 9 1.614 -12.501 4.700 80 HD2 ARG 9 HD2 ARG 9 -0.619 -11.461 4.221 81 HD3 ARG 9 HD1 ARG 9 0.210 -9.953 3.858 82 HE ARG 9 HE ARG 9 1.347 -12.031 2.318 83 HH11 ARG 9 HH21 ARG 9 -1.536 -10.152 2.676 84 HH12 ARG 9 HH22 ARG 9 -1.978 -10.259 1.004 85 HH21 ARG 9 HH11 ARG 9 0.775 -12.173 0.125 86 HH22 ARG 9 HH12 ARG 9 -0.669 -11.402 -0.440 87 H GLY 10 HN GLY 10 1.534 -7.340 7.616 88 HA2 GLY 10 HA2 GLY 10 0.017 -7.144 9.728 89 HA3 GLY 10 HA1 GLY 10 1.101 -8.396 10.328 90 H ILE 11 HN ILE 11 3.504 -7.517 9.189 91 HA ILE 11 HA ILE 11 3.968 -5.035 10.745 92 HB ILE 11 HB ILE 11 5.898 -7.241 9.990 93 HG12 ILE 11 HG12 ILE 11 4.812 -6.456 12.710 94 HG13 ILE 11 HG11 ILE 11 4.152 -7.776 11.746 95 HG21 ILE 11 HG21 ILE 11 6.202 -4.683 11.585 96 HG22 ILE 11 HG22 ILE 11 7.068 -5.137 10.120 97 HG23 ILE 11 HG23 ILE 11 7.376 -5.997 11.625 98 HD11 ILE 11 HD11 ILE 11 7.000 -7.544 12.759 99 HD12 ILE 11 HD12 ILE 11 6.413 -8.826 11.699 100 HD13 ILE 11 HD13 ILE 11 5.773 -8.674 13.335 101 H CYS 12 HN CYS 12 4.416 -3.262 9.635 102 HA CYS 12 HA CYS 12 5.671 -3.525 6.960 103 HB2 CYS 12 HB2 CYS 12 3.434 -1.667 7.797 104 HB3 CYS 12 HB1 CYS 12 4.325 -1.534 6.281 105 H TYR 13 HN TYR 13 7.406 -2.279 6.617 106 HA TYR 13 HA TYR 13 7.836 0.190 8.056 107 HB2 TYR 13 HB2 TYR 13 9.889 -0.480 9.172 108 HB3 TYR 13 HB1 TYR 13 8.567 -1.512 9.716 109 HD1 TYR 13 HD2 TYR 13 8.266 -3.793 8.630 110 HD2 TYR 13 HD1 TYR 13 11.790 -1.400 8.087 111 HE1 TYR 13 HE2 TYR 13 9.507 -5.797 7.866 112 HE2 TYR 13 HE1 TYR 13 13.032 -3.405 7.319 113 HH TYR 13 HH TYR 13 12.681 -5.564 6.456 114 H ARG 14 HN ARG 14 9.984 1.162 7.436 115 HA ARG 14 HA ARG 14 10.968 0.181 4.830 116 HB2 ARG 14 HB2 ARG 14 10.929 2.488 3.955 117 HB3 ARG 14 HB1 ARG 14 9.307 1.910 4.335 118 HG2 ARG 14 HG2 ARG 14 9.394 3.078 6.506 119 HG3 ARG 14 HG1 ARG 14 11.014 3.664 6.129 120 HD2 ARG 14 HD2 ARG 14 10.121 4.830 4.139 121 HD3 ARG 14 HD1 ARG 14 8.503 4.270 4.544 122 HE ARG 14 HE ARG 14 10.001 6.381 5.884 123 HH11 ARG 14 HH21 ARG 14 7.368 4.136 5.943 124 HH12 ARG 14 HH22 ARG 14 6.455 5.024 7.117 125 HH21 ARG 14 HH11 ARG 14 8.808 7.552 7.423 126 HH22 ARG 14 HH12 ARG 14 7.271 6.960 7.953 127 H ARG 15 HN ARG 15 13.074 0.949 4.267 128 HA ARG 15 HA ARG 15 14.601 2.208 6.461 129 HB2 ARG 15 HB2 ARG 15 14.877 -0.259 6.612 130 HB3 ARG 15 HB1 ARG 15 15.494 -0.265 4.960 131 HG2 ARG 15 HG2 ARG 15 17.304 1.295 5.655 132 HG3 ARG 15 HG1 ARG 15 16.705 1.220 7.311 133 HD2 ARG 15 HD2 ARG 15 17.639 -1.169 5.697 134 HD3 ARG 15 HD1 ARG 15 18.608 -0.337 6.910 135 HE ARG 15 HE ARG 15 16.374 -2.135 7.404 136 HH11 ARG 15 HH21 ARG 15 18.460 0.359 8.587 137 HH12 ARG 15 HH22 ARG 15 18.205 -0.029 10.256 138 HH21 ARG 15 HH11 ARG 15 16.034 -2.649 9.590 139 HH22 ARG 15 HH12 ARG 15 16.832 -1.733 10.824 140 H CYS 16 HN CYS 16 15.549 3.955 5.668 141 HA CYS 16 HA CYS 16 16.381 3.963 2.821 142 HB2 CYS 16 HB2 CYS 16 15.987 6.456 4.450 143 HB3 CYS 16 HB1 CYS 16 15.890 6.235 2.704 144 H ARG 17 HN ARG 17 18.416 4.701 2.282 145 HA ARG 17 HA ARG 17 20.233 5.846 4.161 146 HB2 ARG 17 HB2 ARG 17 21.806 3.940 4.295 147 HB3 ARG 17 HB1 ARG 17 20.264 3.581 5.073 148 HG2 ARG 17 HG2 ARG 17 19.507 2.400 3.047 149 HG3 ARG 17 HG1 ARG 17 21.044 2.757 2.259 150 HD2 ARG 17 HD2 ARG 17 20.821 1.229 4.861 151 HD3 ARG 17 HD1 ARG 17 20.906 0.453 3.283 152 HE ARG 17 HE ARG 17 23.063 2.234 3.470 153 HH11 ARG 17 HH21 ARG 17 21.848 -0.639 4.969 154 HH12 ARG 17 HH22 ARG 17 23.413 -1.242 5.396 155 HH21 ARG 17 HH11 ARG 17 25.119 1.448 4.028 156 HH22 ARG 17 HH12 ARG 17 25.266 -0.061 4.864 157 HN1 NH2 18 HN1 NH2 18 19.378 6.376 1.411 158 HN2 NH2 18 HN2 NH2 18 20.766 6.268 0.439 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 19.845 8.598 -3.632 2 H2 LYS 1 HT2 LYS 1 20.216 9.502 -2.243 3 H3 LYS 1 HT3 LYS 1 18.614 9.417 -2.800 4 HA LYS 1 HA LYS 1 19.981 6.917 -2.124 5 HB2 LYS 1 HB2 LYS 1 19.242 7.202 0.244 6 HB3 LYS 1 HB1 LYS 1 20.501 8.350 -0.214 7 HG2 LYS 1 HG2 LYS 1 18.768 10.064 -0.650 8 HG3 LYS 1 HG1 LYS 1 17.523 8.921 -0.146 9 HD2 LYS 1 HD2 LYS 1 18.566 8.766 2.087 10 HD3 LYS 1 HD1 LYS 1 19.802 9.921 1.585 11 HE2 LYS 1 HE2 LYS 1 18.063 11.621 1.186 12 HE3 LYS 1 HE1 LYS 1 16.820 10.468 1.672 13 HZ1 LYS 1 HZ1 LYS 1 18.061 10.287 3.830 14 HZ2 LYS 1 HZ2 LYS 1 17.290 11.775 3.554 15 HZ3 LYS 1 HZ3 LYS 1 18.969 11.633 3.343 16 H TRP 2 HN TRP 2 18.499 5.279 -2.030 17 HA TRP 2 HA TRP 2 15.664 6.020 -2.490 18 HB2 TRP 2 HB2 TRP 2 16.988 3.449 -3.348 19 HB3 TRP 2 HB1 TRP 2 15.423 4.087 -3.849 20 HD1 TRP 2 HD1 TRP 2 15.742 6.752 -4.958 21 HE1 TRP 2 HE1 TRP 2 17.394 7.394 -6.832 22 HE3 TRP 2 HE3 TRP 2 19.073 2.902 -4.556 23 HZ2 TRP 2 HZ2 TRP 2 19.807 6.407 -8.005 24 HZ3 TRP 2 HZ3 TRP 2 21.038 2.777 -6.064 25 HH2 TRP 2 HH2 TRP 2 21.409 4.523 -7.786 26 H CYS 3 HN CYS 3 14.067 4.875 -1.409 27 HA CYS 3 HA CYS 3 15.010 3.138 0.808 28 HB2 CYS 3 HB2 CYS 3 14.119 5.449 1.434 29 HB3 CYS 3 HB1 CYS 3 12.542 4.866 0.903 30 H PHE 4 HN PHE 4 13.659 1.410 1.407 31 HA PHE 4 HA PHE 4 11.452 0.758 -0.444 32 HB2 PHE 4 HB2 PHE 4 13.721 -1.101 0.308 33 HB3 PHE 4 HB1 PHE 4 12.279 -1.567 -0.595 34 HD1 PHE 4 HD2 PHE 4 11.817 -0.520 -2.835 35 HD2 PHE 4 HD1 PHE 4 15.530 0.052 -0.749 36 HE1 PHE 4 HE2 PHE 4 12.879 0.257 -4.937 37 HE2 PHE 4 HE1 PHE 4 16.590 0.830 -2.851 38 HZ PHE 4 HZ PHE 4 15.266 0.931 -4.946 39 H ARG 5 HN ARG 5 9.854 -0.582 0.424 40 HA ARG 5 HA ARG 5 10.110 -1.379 3.245 41 HB2 ARG 5 HB2 ARG 5 7.854 -0.397 3.711 42 HB3 ARG 5 HB1 ARG 5 9.106 0.809 3.413 43 HG2 ARG 5 HG2 ARG 5 8.361 1.034 1.083 44 HG3 ARG 5 HG1 ARG 5 7.132 -0.202 1.346 45 HD2 ARG 5 HD2 ARG 5 6.139 2.038 1.525 46 HD3 ARG 5 HD1 ARG 5 6.082 1.209 3.079 47 HE ARG 5 HE ARG 5 7.634 2.748 3.918 48 HH11 ARG 5 HH21 ARG 5 7.248 3.023 0.492 49 HH12 ARG 5 HH22 ARG 5 8.116 4.516 0.374 50 HH21 ARG 5 HH11 ARG 5 8.774 4.706 3.773 51 HH22 ARG 5 HH12 ARG 5 8.981 5.470 2.233 52 H VAL 6 HN VAL 6 8.861 -3.135 3.805 53 HA VAL 6 HA VAL 6 7.000 -4.232 1.811 54 HB VAL 6 HB VAL 6 9.084 -5.311 1.239 55 HG11 VAL 6 HG11 VAL 6 10.287 -4.835 3.339 56 HG12 VAL 6 HG12 VAL 6 10.383 -6.551 2.936 57 HG13 VAL 6 HG13 VAL 6 9.269 -5.998 4.188 58 HG21 VAL 6 HG21 VAL 6 8.422 -7.588 1.494 59 HG22 VAL 6 HG22 VAL 6 6.916 -6.670 1.508 60 HG23 VAL 6 HG23 VAL 6 7.606 -7.258 3.021 61 H CYS 7 HN CYS 7 5.343 -5.398 2.686 62 HA CYS 7 HA CYS 7 5.274 -5.556 5.646 63 HB2 CYS 7 HB2 CYS 7 2.793 -5.692 3.973 64 HB3 CYS 7 HB1 CYS 7 3.019 -5.054 5.602 65 H TYR 8 HN TYR 8 5.488 -7.532 6.434 66 HA TYR 8 HA TYR 8 4.773 -9.844 4.746 67 HB2 TYR 8 HB2 TYR 8 6.483 -9.654 7.236 68 HB3 TYR 8 HB1 TYR 8 6.141 -11.141 6.353 69 HD1 TYR 8 HD2 TYR 8 6.611 -11.037 3.748 70 HD2 TYR 8 HD1 TYR 8 8.390 -8.427 6.659 71 HE1 TYR 8 HE2 TYR 8 8.457 -10.533 2.168 72 HE2 TYR 8 HE1 TYR 8 10.236 -7.926 5.083 73 HH TYR 8 HH TYR 8 11.312 -8.897 3.144 74 H ARG 9 HN ARG 9 4.888 -9.469 8.276 75 HA ARG 9 HA ARG 9 2.482 -11.032 8.567 76 HB2 ARG 9 HB2 ARG 9 4.442 -9.734 10.440 77 HB3 ARG 9 HB1 ARG 9 2.883 -10.275 11.062 78 HG2 ARG 9 HG2 ARG 9 4.539 -12.061 11.311 79 HG3 ARG 9 HG1 ARG 9 3.312 -12.537 10.136 80 HD2 ARG 9 HD2 ARG 9 5.825 -11.163 9.209 81 HD3 ARG 9 HD1 ARG 9 5.838 -12.889 9.547 82 HE ARG 9 HE ARG 9 4.657 -11.618 7.273 83 HH11 ARG 9 HH21 ARG 9 4.327 -14.220 9.529 84 HH12 ARG 9 HH22 ARG 9 3.450 -15.239 8.438 85 HH21 ARG 9 HH11 ARG 9 3.505 -12.946 5.837 86 HH22 ARG 9 HH12 ARG 9 2.983 -14.518 6.347 87 H GLY 10 HN GLY 10 2.495 -8.278 7.266 88 HA2 GLY 10 HA2 GLY 10 0.561 -6.902 7.057 89 HA3 GLY 10 HA1 GLY 10 0.148 -7.261 8.730 90 H ILE 11 HN ILE 11 3.335 -6.771 8.915 91 HA ILE 11 HA ILE 11 3.005 -3.890 9.521 92 HB ILE 11 HB ILE 11 5.054 -5.865 10.556 93 HG12 ILE 11 HG12 ILE 11 2.743 -4.558 12.016 94 HG13 ILE 11 HG11 ILE 11 2.647 -6.175 11.319 95 HG21 ILE 11 HG21 ILE 11 6.026 -3.689 10.592 96 HG22 ILE 11 HG22 ILE 11 5.396 -3.939 12.221 97 HG23 ILE 11 HG23 ILE 11 4.505 -2.936 11.076 98 HD11 ILE 11 HD11 ILE 11 3.299 -6.061 13.789 99 HD12 ILE 11 HD12 ILE 11 4.832 -5.377 13.249 100 HD13 ILE 11 HD13 ILE 11 4.368 -7.003 12.749 101 H CYS 12 HN CYS 12 3.959 -2.487 8.218 102 HA CYS 12 HA CYS 12 5.944 -3.428 6.275 103 HB2 CYS 12 HB2 CYS 12 4.792 -0.649 6.471 104 HB3 CYS 12 HB1 CYS 12 5.502 -1.446 5.067 105 H TYR 13 HN TYR 13 8.062 -3.065 6.476 106 HA TYR 13 HA TYR 13 8.958 -1.198 8.599 107 HB2 TYR 13 HB2 TYR 13 10.416 -3.526 7.334 108 HB3 TYR 13 HB1 TYR 13 11.036 -2.497 8.621 109 HD1 TYR 13 HD2 TYR 13 10.025 -2.546 10.877 110 HD2 TYR 13 HD1 TYR 13 8.719 -5.203 7.765 111 HE1 TYR 13 HE2 TYR 13 8.878 -3.957 12.563 112 HE2 TYR 13 HE1 TYR 13 7.570 -6.614 9.452 113 HH TYR 13 HH TYR 13 7.584 -5.725 12.905 114 H ARG 14 HN ARG 14 10.107 0.533 8.060 115 HA ARG 14 HA ARG 14 10.678 1.033 5.239 116 HB2 ARG 14 HB2 ARG 14 10.839 2.826 7.673 117 HB3 ARG 14 HB1 ARG 14 11.167 3.342 6.017 118 HG2 ARG 14 HG2 ARG 14 8.878 2.692 5.360 119 HG3 ARG 14 HG1 ARG 14 8.547 2.182 7.016 120 HD2 ARG 14 HD2 ARG 14 9.382 4.988 6.243 121 HD3 ARG 14 HD1 ARG 14 7.712 4.489 6.489 122 HE ARG 14 HE ARG 14 9.202 3.770 8.769 123 HH11 ARG 14 HH21 ARG 14 8.088 6.553 7.043 124 HH12 ARG 14 HH22 ARG 14 7.988 7.558 8.450 125 HH21 ARG 14 HH11 ARG 14 9.076 5.082 10.618 126 HH22 ARG 14 HH12 ARG 14 8.548 6.725 10.475 127 H ARG 15 HN ARG 15 12.690 1.261 4.387 128 HA ARG 15 HA ARG 15 15.019 1.108 6.197 129 HB2 ARG 15 HB2 ARG 15 14.463 -0.697 3.835 130 HB3 ARG 15 HB1 ARG 15 16.053 -0.524 4.579 131 HG2 ARG 15 HG2 ARG 15 15.127 -1.239 6.748 132 HG3 ARG 15 HG1 ARG 15 13.531 -1.403 6.015 133 HD2 ARG 15 HD2 ARG 15 14.399 -3.113 4.474 134 HD3 ARG 15 HD1 ARG 15 16.004 -2.938 5.174 135 HE ARG 15 HE ARG 15 15.279 -4.121 7.066 136 HH11 ARG 15 HH21 ARG 15 12.681 -3.352 4.911 137 HH12 ARG 15 HH22 ARG 15 11.545 -4.405 5.683 138 HH21 ARG 15 HH11 ARG 15 13.792 -5.505 8.084 139 HH22 ARG 15 HH12 ARG 15 12.173 -5.624 7.480 140 H CYS 16 HN CYS 16 15.340 3.329 5.725 141 HA CYS 16 HA CYS 16 16.092 3.938 2.925 142 HB2 CYS 16 HB2 CYS 16 15.679 6.004 5.071 143 HB3 CYS 16 HB1 CYS 16 15.545 6.173 3.321 144 H ARG 17 HN ARG 17 18.036 5.012 2.493 145 HA ARG 17 HA ARG 17 19.925 5.593 4.591 146 HB2 ARG 17 HB2 ARG 17 20.121 3.122 4.419 147 HB3 ARG 17 HB1 ARG 17 20.533 3.300 2.714 148 HG2 ARG 17 HG2 ARG 17 22.503 4.631 3.296 149 HG3 ARG 17 HG1 ARG 17 22.078 4.548 5.004 150 HD2 ARG 17 HD2 ARG 17 22.219 2.034 4.830 151 HD3 ARG 17 HD1 ARG 17 22.859 2.243 3.202 152 HE ARG 17 HE ARG 17 24.397 3.811 4.961 153 HH11 ARG 17 HH21 ARG 17 23.650 0.507 4.261 154 HH12 ARG 17 HH22 ARG 17 25.180 -0.099 4.799 155 HH21 ARG 17 HH11 ARG 17 26.407 3.026 5.671 156 HH22 ARG 17 HH12 ARG 17 26.741 1.328 5.597 157 HN1 NH2 18 HN1 NH2 18 20.926 4.467 1.387 158 HN2 NH2 18 HN2 NH2 18 21.310 6.005 0.785 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 20.208 9.135 -2.368 2 H2 LYS 1 HT2 LYS 1 18.920 8.484 -3.262 3 H3 LYS 1 HT3 LYS 1 20.287 7.535 -2.921 4 HA LYS 1 HA LYS 1 19.646 7.061 -0.831 5 HB2 LYS 1 HB2 LYS 1 18.327 9.790 -0.845 6 HB3 LYS 1 HB1 LYS 1 18.286 8.682 0.526 7 HG2 LYS 1 HG2 LYS 1 20.752 8.693 0.615 8 HG3 LYS 1 HG1 LYS 1 20.796 9.804 -0.755 9 HD2 LYS 1 HD2 LYS 1 19.563 11.486 0.540 10 HD3 LYS 1 HD1 LYS 1 19.459 10.374 1.906 11 HE2 LYS 1 HE2 LYS 1 21.307 11.943 2.258 12 HE3 LYS 1 HE1 LYS 1 21.942 10.315 2.017 13 HZ1 LYS 1 HZ1 LYS 1 22.793 10.840 0.001 14 HZ2 LYS 1 HZ2 LYS 1 22.861 12.389 0.693 15 HZ3 LYS 1 HZ3 LYS 1 21.588 11.979 -0.354 16 H TRP 2 HN TRP 2 18.457 5.370 -1.694 17 HA TRP 2 HA TRP 2 15.605 5.891 -2.308 18 HB2 TRP 2 HB2 TRP 2 17.208 3.424 -2.997 19 HB3 TRP 2 HB1 TRP 2 15.615 3.880 -3.601 20 HD1 TRP 2 HD1 TRP 2 15.729 6.546 -4.761 21 HE1 TRP 2 HE1 TRP 2 17.403 7.297 -6.574 22 HE3 TRP 2 HE3 TRP 2 19.376 3.046 -4.088 23 HZ2 TRP 2 HZ2 TRP 2 19.956 6.511 -7.602 24 HZ3 TRP 2 HZ3 TRP 2 21.420 3.066 -5.492 25 HH2 TRP 2 HH2 TRP 2 21.713 4.793 -7.247 26 H CYS 3 HN CYS 3 14.033 4.816 -1.228 27 HA CYS 3 HA CYS 3 14.873 3.075 1.026 28 HB2 CYS 3 HB2 CYS 3 13.833 5.459 1.456 29 HB3 CYS 3 HB1 CYS 3 12.312 4.644 1.097 30 H PHE 4 HN PHE 4 13.253 1.493 1.685 31 HA PHE 4 HA PHE 4 11.462 0.624 -0.516 32 HB2 PHE 4 HB2 PHE 4 13.259 -1.120 1.191 33 HB3 PHE 4 HB1 PHE 4 12.085 -1.705 0.012 34 HD1 PHE 4 HD2 PHE 4 12.353 -1.079 -2.420 35 HD2 PHE 4 HD1 PHE 4 15.400 -0.328 0.512 36 HE1 PHE 4 HE2 PHE 4 14.023 -0.785 -4.230 37 HE2 PHE 4 HE1 PHE 4 17.070 -0.034 -1.297 38 HZ PHE 4 HZ PHE 4 16.381 -0.262 -3.669 39 H ARG 5 HN ARG 5 9.564 -0.415 0.138 40 HA ARG 5 HA ARG 5 8.999 -0.530 3.035 41 HB2 ARG 5 HB2 ARG 5 8.208 1.666 2.189 42 HB3 ARG 5 HB1 ARG 5 7.206 0.823 1.007 43 HG2 ARG 5 HG2 ARG 5 5.956 -0.277 2.784 44 HG3 ARG 5 HG1 ARG 5 7.010 0.435 4.007 45 HD2 ARG 5 HD2 ARG 5 4.951 1.740 3.863 46 HD3 ARG 5 HD1 ARG 5 6.298 2.699 3.255 47 HE ARG 5 HE ARG 5 5.387 2.561 1.099 48 HH11 ARG 5 HH21 ARG 5 3.735 0.506 3.348 49 HH12 ARG 5 HH22 ARG 5 2.412 0.176 2.280 50 HH21 ARG 5 HH11 ARG 5 3.657 2.125 -0.302 51 HH22 ARG 5 HH12 ARG 5 2.367 1.092 0.216 52 H VAL 6 HN VAL 6 9.006 -2.774 2.912 53 HA VAL 6 HA VAL 6 6.736 -3.975 1.416 54 HB VAL 6 HB VAL 6 9.501 -5.094 1.932 55 HG11 VAL 6 HG11 VAL 6 8.542 -7.093 0.644 56 HG12 VAL 6 HG12 VAL 6 6.951 -6.426 1.001 57 HG13 VAL 6 HG13 VAL 6 8.015 -6.920 2.317 58 HG21 VAL 6 HG21 VAL 6 7.966 -4.719 -0.653 59 HG22 VAL 6 HG22 VAL 6 9.660 -5.170 -0.477 60 HG23 VAL 6 HG23 VAL 6 9.130 -3.548 -0.033 61 H CYS 7 HN CYS 7 5.328 -5.080 2.625 62 HA CYS 7 HA CYS 7 5.780 -5.245 5.507 63 HB2 CYS 7 HB2 CYS 7 3.314 -6.162 4.035 64 HB3 CYS 7 HB1 CYS 7 3.455 -5.568 5.692 65 H TYR 8 HN TYR 8 6.213 -7.089 6.602 66 HA TYR 8 HA TYR 8 6.557 -9.567 5.053 67 HB2 TYR 8 HB2 TYR 8 7.456 -8.743 7.824 68 HB3 TYR 8 HB1 TYR 8 7.720 -10.346 7.138 69 HD1 TYR 8 HD1 TYR 8 8.602 -6.772 6.916 70 HD2 TYR 8 HD2 TYR 8 9.280 -10.694 5.302 71 HE1 TYR 8 HE1 TYR 8 10.611 -5.935 5.725 72 HE2 TYR 8 HE2 TYR 8 11.287 -9.858 4.111 73 HH TYR 8 HH TYR 8 12.478 -6.567 4.607 74 H ARG 9 HN ARG 9 5.687 -9.143 8.459 75 HA ARG 9 HA ARG 9 3.528 -11.122 8.122 76 HB2 ARG 9 HB2 ARG 9 4.969 -10.116 10.586 77 HB3 ARG 9 HB1 ARG 9 3.635 -11.272 10.609 78 HG2 ARG 9 HG2 ARG 9 4.918 -12.829 9.226 79 HG3 ARG 9 HG1 ARG 9 6.239 -11.666 9.107 80 HD2 ARG 9 HD2 ARG 9 6.774 -13.301 10.830 81 HD3 ARG 9 HD1 ARG 9 6.478 -11.737 11.584 82 HE ARG 9 HE ARG 9 4.523 -12.602 12.543 83 HH11 ARG 9 HH21 ARG 9 5.906 -14.769 10.223 84 HH12 ARG 9 HH22 ARG 9 4.903 -16.109 10.674 85 HH21 ARG 9 HH11 ARG 9 3.205 -14.355 13.136 86 HH22 ARG 9 HH12 ARG 9 3.375 -15.874 12.322 87 H GLY 10 HN GLY 10 2.966 -8.613 7.126 88 HA2 GLY 10 HA2 GLY 10 1.033 -7.302 7.151 89 HA3 GLY 10 HA1 GLY 10 0.691 -7.866 8.785 90 H ILE 11 HN ILE 11 3.861 -7.021 8.781 91 HA ILE 11 HA ILE 11 3.288 -4.348 9.914 92 HB ILE 11 HB ILE 11 5.747 -6.098 10.185 93 HG12 ILE 11 HG12 ILE 11 3.603 -5.509 12.243 94 HG13 ILE 11 HG11 ILE 11 3.598 -6.961 11.240 95 HG21 ILE 11 HG21 ILE 11 6.349 -3.798 10.498 96 HG22 ILE 11 HG22 ILE 11 6.164 -4.484 12.111 97 HG23 ILE 11 HG23 ILE 11 4.887 -3.477 11.431 98 HD11 ILE 11 HD11 ILE 11 4.684 -7.266 13.502 99 HD12 ILE 11 HD12 ILE 11 5.940 -6.141 12.980 100 HD13 ILE 11 HD13 ILE 11 5.722 -7.675 12.136 101 H CYS 12 HN CYS 12 3.621 -2.711 8.569 102 HA CYS 12 HA CYS 12 5.627 -2.962 6.409 103 HB2 CYS 12 HB2 CYS 12 3.515 -0.824 6.735 104 HB3 CYS 12 HB1 CYS 12 4.432 -1.229 5.283 105 H TYR 13 HN TYR 13 7.405 -1.722 6.372 106 HA TYR 13 HA TYR 13 7.580 0.709 7.976 107 HB2 TYR 13 HB2 TYR 13 8.232 -1.098 9.548 108 HB3 TYR 13 HB1 TYR 13 9.489 -1.602 8.419 109 HD1 TYR 13 HD1 TYR 13 8.260 1.388 10.302 110 HD2 TYR 13 HD2 TYR 13 11.623 -0.600 8.513 111 HE1 TYR 13 HE1 TYR 13 9.778 3.106 11.245 112 HE2 TYR 13 HE2 TYR 13 13.141 1.121 9.456 113 HH TYR 13 HH TYR 13 11.910 3.681 11.594 114 H ARG 14 HN ARG 14 9.257 2.079 7.326 115 HA ARG 14 HA ARG 14 10.262 1.557 4.627 116 HB2 ARG 14 HB2 ARG 14 10.329 4.005 6.408 117 HB3 ARG 14 HB1 ARG 14 11.032 3.940 4.792 118 HG2 ARG 14 HG2 ARG 14 8.838 3.392 3.835 119 HG3 ARG 14 HG1 ARG 14 8.121 3.390 5.447 120 HD2 ARG 14 HD2 ARG 14 8.712 5.761 5.727 121 HD3 ARG 14 HD1 ARG 14 9.457 5.772 4.131 122 HE ARG 14 HE ARG 14 6.813 4.884 3.831 123 HH11 ARG 14 HH21 ARG 14 8.580 7.687 4.823 124 HH12 ARG 14 HH22 ARG 14 7.365 8.807 4.303 125 HH21 ARG 14 HH11 ARG 14 5.217 6.343 3.145 126 HH22 ARG 14 HH12 ARG 14 5.459 8.045 3.352 127 H ARG 15 HN ARG 15 12.321 1.052 4.160 128 HA ARG 15 HA ARG 15 14.343 1.166 6.338 129 HB2 ARG 15 HB2 ARG 15 13.991 -0.891 4.147 130 HB3 ARG 15 HB1 ARG 15 15.378 -0.814 5.234 131 HG2 ARG 15 HG2 ARG 15 13.912 -1.114 7.172 132 HG3 ARG 15 HG1 ARG 15 12.496 -1.120 6.122 133 HD2 ARG 15 HD2 ARG 15 13.079 -3.419 6.637 134 HD3 ARG 15 HD1 ARG 15 13.443 -3.114 4.942 135 HE ARG 15 HE ARG 15 15.736 -2.599 6.543 136 HH11 ARG 15 HH21 ARG 15 13.744 -5.134 5.290 137 HH12 ARG 15 HH22 ARG 15 15.012 -6.314 5.275 138 HH21 ARG 15 HH11 ARG 15 17.404 -4.140 6.533 139 HH22 ARG 15 HH12 ARG 15 17.086 -5.751 5.981 140 H CYS 16 HN CYS 16 15.086 3.209 5.667 141 HA CYS 16 HA CYS 16 16.193 3.422 2.943 142 HB2 CYS 16 HB2 CYS 16 16.289 5.662 4.944 143 HB3 CYS 16 HB1 CYS 16 16.094 5.731 3.192 144 H ARG 17 HN ARG 17 18.325 3.421 2.541 145 HA ARG 17 HA ARG 17 20.329 4.074 4.462 146 HB2 ARG 17 HB2 ARG 17 19.538 1.782 5.244 147 HB3 ARG 17 HB1 ARG 17 20.206 1.144 3.740 148 HG2 ARG 17 HG2 ARG 17 22.414 2.071 4.318 149 HG3 ARG 17 HG1 ARG 17 21.752 2.721 5.818 150 HD2 ARG 17 HD2 ARG 17 22.863 0.610 6.298 151 HD3 ARG 17 HD1 ARG 17 21.125 0.404 6.499 152 HE ARG 17 HE ARG 17 21.889 -0.269 3.843 153 HH11 ARG 17 HH21 ARG 17 22.041 -1.351 7.125 154 HH12 ARG 17 HH22 ARG 17 22.107 -3.032 6.714 155 HH21 ARG 17 HH11 ARG 17 21.975 -2.470 3.294 156 HH22 ARG 17 HH12 ARG 17 22.072 -3.665 4.543 157 HN1 NH2 18 HN1 NH2 18 20.436 5.283 2.199 158 HN2 NH2 18 HN2 NH2 18 21.464 4.568 1.051 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 18.986 10.126 -3.149 2 H2 LYS 1 HT2 LYS 1 18.638 8.886 -4.259 3 H3 LYS 1 HT3 LYS 1 20.212 9.065 -3.645 4 HA LYS 1 HA LYS 1 19.641 7.490 -2.190 5 HB2 LYS 1 HB2 LYS 1 18.068 9.865 -1.149 6 HB3 LYS 1 HB1 LYS 1 18.378 8.401 -0.216 7 HG2 LYS 1 HG2 LYS 1 20.779 8.747 -0.363 8 HG3 LYS 1 HG1 LYS 1 20.550 10.120 -1.443 9 HD2 LYS 1 HD2 LYS 1 20.911 11.092 0.691 10 HD3 LYS 1 HD1 LYS 1 19.168 11.180 0.445 11 HE2 LYS 1 HE2 LYS 1 18.783 9.296 1.881 12 HE3 LYS 1 HE1 LYS 1 20.501 8.900 1.933 13 HZ1 LYS 1 HZ1 LYS 1 19.391 11.465 2.917 14 HZ2 LYS 1 HZ2 LYS 1 20.955 10.847 3.165 15 HZ3 LYS 1 HZ3 LYS 1 19.620 10.112 3.914 16 H TRP 2 HN TRP 2 18.339 5.752 -2.156 17 HA TRP 2 HA TRP 2 15.486 6.086 -2.924 18 HB2 TRP 2 HB2 TRP 2 17.426 3.893 -3.693 19 HB3 TRP 2 HB1 TRP 2 15.684 3.815 -3.960 20 HD1 TRP 2 HD1 TRP 2 14.808 6.357 -5.154 21 HE1 TRP 2 HE1 TRP 2 15.781 7.362 -7.321 22 HE3 TRP 2 HE3 TRP 2 19.306 3.947 -5.297 23 HZ2 TRP 2 HZ2 TRP 2 18.158 7.169 -8.903 24 HZ3 TRP 2 HZ3 TRP 2 20.904 4.375 -7.141 25 HH2 TRP 2 HH2 TRP 2 20.336 5.982 -8.944 26 H CYS 3 HN CYS 3 14.028 5.188 -1.603 27 HA CYS 3 HA CYS 3 15.022 3.608 0.699 28 HB2 CYS 3 HB2 CYS 3 12.435 5.156 0.419 29 HB3 CYS 3 HB1 CYS 3 13.037 4.366 1.874 30 H PHE 4 HN PHE 4 13.742 1.831 1.440 31 HA PHE 4 HA PHE 4 11.862 0.697 -0.547 32 HB2 PHE 4 HB2 PHE 4 14.184 -0.730 0.766 33 HB3 PHE 4 HB1 PHE 4 12.893 -1.539 -0.122 34 HD1 PHE 4 HD2 PHE 4 12.528 -1.012 -2.554 35 HD2 PHE 4 HD1 PHE 4 15.945 0.418 -0.377 36 HE1 PHE 4 HE2 PHE 4 13.684 -0.519 -4.692 37 HE2 PHE 4 HE1 PHE 4 17.099 0.912 -2.516 38 HZ PHE 4 HZ PHE 4 15.970 0.443 -4.673 39 H ARG 5 HN ARG 5 10.344 -0.788 0.306 40 HA ARG 5 HA ARG 5 10.119 -0.895 3.252 41 HB2 ARG 5 HB2 ARG 5 7.729 -0.362 3.100 42 HB3 ARG 5 HB1 ARG 5 8.698 0.962 2.458 43 HG2 ARG 5 HG2 ARG 5 8.317 0.132 0.161 44 HG3 ARG 5 HG1 ARG 5 7.332 -1.185 0.799 45 HD2 ARG 5 HD2 ARG 5 5.848 0.582 0.079 46 HD3 ARG 5 HD1 ARG 5 5.823 0.516 1.839 47 HE ARG 5 HE ARG 5 7.793 2.369 0.982 48 HH11 ARG 5 HH21 ARG 5 4.373 1.877 1.162 49 HH12 ARG 5 HH22 ARG 5 3.996 3.564 1.282 50 HH21 ARG 5 HH11 ARG 5 7.308 4.584 1.136 51 HH22 ARG 5 HH12 ARG 5 5.658 5.096 1.268 52 H VAL 6 HN VAL 6 9.090 -2.720 4.053 53 HA VAL 6 HA VAL 6 8.079 -4.719 2.141 54 HB VAL 6 HB VAL 6 10.493 -5.200 2.485 55 HG11 VAL 6 HG11 VAL 6 9.724 -5.730 5.364 56 HG12 VAL 6 HG12 VAL 6 10.495 -4.232 4.840 57 HG13 VAL 6 HG13 VAL 6 11.339 -5.771 4.655 58 HG21 VAL 6 HG21 VAL 6 8.678 -7.199 3.866 59 HG22 VAL 6 HG22 VAL 6 10.190 -7.548 3.030 60 HG23 VAL 6 HG23 VAL 6 8.782 -7.006 2.118 61 H CYS 7 HN CYS 7 6.448 -5.948 2.939 62 HA CYS 7 HA CYS 7 5.874 -5.857 5.832 63 HB2 CYS 7 HB2 CYS 7 4.546 -4.142 4.312 64 HB3 CYS 7 HB1 CYS 7 3.587 -5.567 3.914 65 H TYR 8 HN TYR 8 5.563 -7.839 6.583 66 HA TYR 8 HA TYR 8 4.994 -10.033 4.705 67 HB2 TYR 8 HB2 TYR 8 5.969 -10.002 7.568 68 HB3 TYR 8 HB1 TYR 8 5.614 -11.473 6.660 69 HD1 TYR 8 HD2 TYR 8 6.907 -11.994 4.571 70 HD2 TYR 8 HD1 TYR 8 7.977 -8.752 7.179 71 HE1 TYR 8 HE2 TYR 8 9.153 -11.891 3.524 72 HE2 TYR 8 HE1 TYR 8 10.221 -8.650 6.130 73 HH TYR 8 HH TYR 8 11.244 -9.296 3.912 74 H ARG 9 HN ARG 9 4.119 -9.628 8.126 75 HA ARG 9 HA ARG 9 1.348 -10.445 7.454 76 HB2 ARG 9 HB2 ARG 9 2.934 -10.735 10.015 77 HB3 ARG 9 HB1 ARG 9 1.231 -11.157 9.840 78 HG2 ARG 9 HG2 ARG 9 1.779 -12.791 8.103 79 HG3 ARG 9 HG1 ARG 9 3.480 -12.328 8.176 80 HD2 ARG 9 HD2 ARG 9 3.159 -14.356 9.482 81 HD3 ARG 9 HD1 ARG 9 3.523 -13.023 10.573 82 HE ARG 9 HE ARG 9 0.713 -13.269 10.262 83 HH11 ARG 9 HH21 ARG 9 3.476 -14.803 11.668 84 HH12 ARG 9 HH22 ARG 9 2.584 -15.539 12.959 85 HH21 ARG 9 HH11 ARG 9 -0.467 -14.232 11.950 86 HH22 ARG 9 HH12 ARG 9 0.352 -15.216 13.117 87 H GLY 10 HN GLY 10 1.939 -7.801 7.034 88 HA2 GLY 10 HA2 GLY 10 0.677 -5.861 7.460 89 HA3 GLY 10 HA1 GLY 10 0.227 -6.511 9.032 90 H ILE 11 HN ILE 11 3.454 -7.047 8.772 91 HA ILE 11 HA ILE 11 4.089 -4.714 10.434 92 HB ILE 11 HB ILE 11 6.332 -5.948 10.631 93 HG12 ILE 11 HG12 ILE 11 4.704 -8.253 9.530 94 HG13 ILE 11 HG11 ILE 11 5.853 -7.351 8.545 95 HG21 ILE 11 HG21 ILE 11 5.258 -7.727 12.133 96 HG22 ILE 11 HG22 ILE 11 3.703 -7.096 11.590 97 HG23 ILE 11 HG23 ILE 11 4.820 -6.051 12.468 98 HD11 ILE 11 HD11 ILE 11 6.680 -8.529 11.199 99 HD12 ILE 11 HD12 ILE 11 7.699 -8.052 9.840 100 HD13 ILE 11 HD13 ILE 11 6.698 -9.500 9.729 101 H CYS 12 HN CYS 12 3.800 -3.286 8.525 102 HA CYS 12 HA CYS 12 5.898 -3.418 6.497 103 HB2 CYS 12 HB2 CYS 12 4.018 -1.092 6.682 104 HB3 CYS 12 HB1 CYS 12 4.597 -1.962 5.259 105 H TYR 13 HN TYR 13 7.751 -2.343 6.592 106 HA TYR 13 HA TYR 13 7.973 0.115 8.183 107 HB2 TYR 13 HB2 TYR 13 9.642 -2.361 8.644 108 HB3 TYR 13 HB1 TYR 13 10.088 -0.758 9.230 109 HD1 TYR 13 HD1 TYR 13 7.500 -3.425 9.428 110 HD2 TYR 13 HD2 TYR 13 9.000 0.230 11.115 111 HE1 TYR 13 HE1 TYR 13 6.000 -3.711 11.382 112 HE2 TYR 13 HE2 TYR 13 7.502 -0.056 13.070 113 HH TYR 13 HH TYR 13 5.242 -2.807 13.264 114 H ARG 14 HN ARG 14 9.592 1.485 7.524 115 HA ARG 14 HA ARG 14 10.531 1.104 4.816 116 HB2 ARG 14 HB2 ARG 14 10.858 3.343 6.819 117 HB3 ARG 14 HB1 ARG 14 11.538 3.386 5.192 118 HG2 ARG 14 HG2 ARG 14 9.301 3.108 4.226 119 HG3 ARG 14 HG1 ARG 14 8.601 3.005 5.843 120 HD2 ARG 14 HD2 ARG 14 9.390 5.281 6.339 121 HD3 ARG 14 HD1 ARG 14 10.112 5.391 4.736 122 HE ARG 14 HE ARG 14 7.279 5.586 5.385 123 HH11 ARG 14 HH21 ARG 14 9.720 5.031 3.000 124 HH12 ARG 14 HH22 ARG 14 8.715 5.482 1.663 125 HH21 ARG 14 HH11 ARG 14 5.949 6.177 3.638 126 HH22 ARG 14 HH12 ARG 14 6.579 6.131 2.025 127 H ARG 15 HN ARG 15 12.683 1.000 4.136 128 HA ARG 15 HA ARG 15 14.738 0.554 6.217 129 HB2 ARG 15 HB2 ARG 15 14.211 -1.219 3.820 130 HB3 ARG 15 HB1 ARG 15 15.630 -1.333 4.862 131 HG2 ARG 15 HG2 ARG 15 14.145 -1.726 6.813 132 HG3 ARG 15 HG1 ARG 15 12.745 -1.671 5.739 133 HD2 ARG 15 HD2 ARG 15 15.049 -3.615 5.437 134 HD3 ARG 15 HD1 ARG 15 13.527 -3.999 6.235 135 HE ARG 15 HE ARG 15 12.866 -3.021 3.713 136 HH11 ARG 15 HH21 ARG 15 14.678 -5.616 5.110 137 HH12 ARG 15 HH22 ARG 15 14.396 -6.706 3.795 138 HH21 ARG 15 HH11 ARG 15 12.492 -4.446 1.982 139 HH22 ARG 15 HH12 ARG 15 13.159 -6.043 2.023 140 H CYS 16 HN CYS 16 14.806 2.919 5.284 141 HA CYS 16 HA CYS 16 16.323 3.089 2.787 142 HB2 CYS 16 HB2 CYS 16 14.451 4.728 3.711 143 HB3 CYS 16 HB1 CYS 16 15.822 5.476 4.530 144 H ARG 17 HN ARG 17 18.361 4.240 2.695 145 HA ARG 17 HA ARG 17 19.916 4.269 5.211 146 HB2 ARG 17 HB2 ARG 17 20.753 2.878 2.653 147 HB3 ARG 17 HB1 ARG 17 21.796 3.143 4.050 148 HG2 ARG 17 HG2 ARG 17 20.305 1.813 5.461 149 HG3 ARG 17 HG1 ARG 17 19.183 1.605 4.116 150 HD2 ARG 17 HD2 ARG 17 20.543 -0.392 4.294 151 HD3 ARG 17 HD1 ARG 17 21.003 0.476 2.831 152 HE ARG 17 HE ARG 17 22.613 1.185 5.118 153 HH11 ARG 17 HH21 ARG 17 22.105 -1.052 2.527 154 HH12 ARG 17 HH22 ARG 17 23.753 -1.581 2.475 155 HH21 ARG 17 HH11 ARG 17 24.779 0.493 5.059 156 HH22 ARG 17 HH12 ARG 17 25.267 -0.707 3.908 157 HN1 NH2 18 HN1 NH2 18 19.214 5.648 2.114 158 HN2 NH2 18 HN2 NH2 18 20.401 6.859 2.159 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 19.244 4.669 -3.830 2 H2 LYS 1 HT2 LYS 1 19.970 5.208 -2.391 3 H3 LYS 1 HT3 LYS 1 20.795 5.352 -3.870 4 HA LYS 1 HA LYS 1 19.633 7.412 -2.853 5 HB2 LYS 1 HB2 LYS 1 19.279 8.267 -5.115 6 HB3 LYS 1 HB1 LYS 1 20.737 7.277 -5.078 7 HG2 LYS 1 HG2 LYS 1 19.328 5.329 -5.852 8 HG3 LYS 1 HG1 LYS 1 18.001 6.466 -6.097 9 HD2 LYS 1 HD2 LYS 1 20.731 6.724 -7.391 10 HD3 LYS 1 HD1 LYS 1 19.323 6.019 -8.181 11 HE2 LYS 1 HE2 LYS 1 18.124 8.236 -7.620 12 HE3 LYS 1 HE1 LYS 1 19.738 8.877 -7.301 13 HZ1 LYS 1 HZ1 LYS 1 19.078 9.274 -9.585 14 HZ2 LYS 1 HZ2 LYS 1 18.848 7.610 -9.836 15 HZ3 LYS 1 HZ3 LYS 1 20.404 8.219 -9.528 16 H TRP 2 HN TRP 2 17.904 5.147 -2.185 17 HA TRP 2 HA TRP 2 15.386 6.496 -2.324 18 HB2 TRP 2 HB2 TRP 2 15.412 5.545 -4.596 19 HB3 TRP 2 HB1 TRP 2 15.674 3.936 -3.920 20 HD1 TRP 2 HD1 TRP 2 13.151 6.807 -3.258 21 HE1 TRP 2 HE1 TRP 2 10.804 5.767 -3.028 22 HE3 TRP 2 HE3 TRP 2 14.302 1.876 -3.918 23 HZ2 TRP 2 HZ2 TRP 2 9.576 3.187 -3.115 24 HZ3 TRP 2 HZ3 TRP 2 12.525 0.150 -3.843 25 HH2 TRP 2 HH2 TRP 2 10.165 0.799 -3.442 26 H CYS 3 HN CYS 3 13.880 5.626 -0.892 27 HA CYS 3 HA CYS 3 14.995 3.884 1.134 28 HB2 CYS 3 HB2 CYS 3 12.170 4.943 0.982 29 HB3 CYS 3 HB1 CYS 3 13.050 4.413 2.414 30 H PHE 4 HN PHE 4 13.744 2.017 1.962 31 HA PHE 4 HA PHE 4 12.268 0.575 -0.172 32 HB2 PHE 4 HB2 PHE 4 14.394 -0.535 1.679 33 HB3 PHE 4 HB1 PHE 4 13.388 -1.499 0.596 34 HD1 PHE 4 HD2 PHE 4 13.553 -1.185 -1.879 35 HD2 PHE 4 HD1 PHE 4 16.243 0.747 0.856 36 HE1 PHE 4 HE2 PHE 4 15.113 -0.711 -3.747 37 HE2 PHE 4 HE1 PHE 4 17.803 1.220 -1.010 38 HZ PHE 4 HZ PHE 4 17.238 0.492 -3.312 39 H ARG 5 HN ARG 5 10.632 -0.791 0.517 40 HA ARG 5 HA ARG 5 10.070 -1.034 3.376 41 HB2 ARG 5 HB2 ARG 5 8.977 1.087 2.679 42 HB3 ARG 5 HB1 ARG 5 8.072 0.190 1.458 43 HG2 ARG 5 HG2 ARG 5 7.029 -1.183 3.189 44 HG3 ARG 5 HG1 ARG 5 7.988 -0.385 4.435 45 HD2 ARG 5 HD2 ARG 5 5.768 0.611 4.387 46 HD3 ARG 5 HD1 ARG 5 6.939 1.786 3.794 47 HE ARG 5 HE ARG 5 5.974 1.626 1.672 48 HH11 ARG 5 HH21 ARG 5 4.825 -0.849 3.800 49 HH12 ARG 5 HH22 ARG 5 3.548 -1.357 2.745 50 HH21 ARG 5 HH11 ARG 5 4.300 0.966 0.282 51 HH22 ARG 5 HH12 ARG 5 3.250 -0.328 0.754 52 H VAL 6 HN VAL 6 9.077 -2.921 3.857 53 HA VAL 6 HA VAL 6 7.720 -4.441 1.730 54 HB VAL 6 HB VAL 6 9.996 -5.285 1.674 55 HG11 VAL 6 HG11 VAL 6 9.680 -5.814 4.641 56 HG12 VAL 6 HG12 VAL 6 10.598 -4.470 3.965 57 HG13 VAL 6 HG13 VAL 6 11.111 -6.128 3.660 58 HG21 VAL 6 HG21 VAL 6 8.009 -6.880 1.610 59 HG22 VAL 6 HG22 VAL 6 8.339 -7.225 3.306 60 HG23 VAL 6 HG23 VAL 6 9.544 -7.609 2.078 61 H CYS 7 HN CYS 7 6.063 -5.701 2.458 62 HA CYS 7 HA CYS 7 5.537 -5.714 5.387 63 HB2 CYS 7 HB2 CYS 7 3.463 -5.645 3.184 64 HB3 CYS 7 HB1 CYS 7 3.193 -5.473 4.919 65 H TYR 8 HN TYR 8 4.489 -7.558 6.222 66 HA TYR 8 HA TYR 8 4.420 -9.932 4.446 67 HB2 TYR 8 HB2 TYR 8 5.619 -9.769 7.224 68 HB3 TYR 8 HB1 TYR 8 5.383 -11.257 6.308 69 HD1 TYR 8 HD2 TYR 8 6.501 -11.467 4.017 70 HD2 TYR 8 HD1 TYR 8 7.523 -8.403 6.852 71 HE1 TYR 8 HE2 TYR 8 8.641 -11.080 2.828 72 HE2 TYR 8 HE1 TYR 8 9.664 -8.017 5.663 73 HH TYR 8 HH TYR 8 10.616 -10.035 2.893 74 H ARG 9 HN ARG 9 3.947 -9.793 7.928 75 HA ARG 9 HA ARG 9 1.199 -10.786 7.576 76 HB2 ARG 9 HB2 ARG 9 1.354 -11.373 9.965 77 HB3 ARG 9 HB1 ARG 9 2.669 -12.087 9.032 78 HG2 ARG 9 HG2 ARG 9 4.165 -10.251 9.732 79 HG3 ARG 9 HG1 ARG 9 2.853 -9.540 10.674 80 HD2 ARG 9 HD2 ARG 9 3.920 -12.341 11.101 81 HD3 ARG 9 HD1 ARG 9 4.418 -10.941 12.047 82 HE ARG 9 HE ARG 9 1.618 -11.066 12.126 83 HH11 ARG 9 HH21 ARG 9 4.386 -12.898 13.098 84 HH12 ARG 9 HH22 ARG 9 3.607 -13.608 14.471 85 HH21 ARG 9 HH11 ARG 9 0.587 -11.993 13.925 86 HH22 ARG 9 HH12 ARG 9 1.454 -13.094 14.940 87 H GLY 10 HN GLY 10 1.649 -8.046 7.003 88 HA2 GLY 10 HA2 GLY 10 0.190 -6.223 7.364 89 HA3 GLY 10 HA1 GLY 10 -0.167 -6.839 8.974 90 H ILE 11 HN ILE 11 3.056 -7.142 8.774 91 HA ILE 11 HA ILE 11 3.532 -4.535 10.085 92 HB ILE 11 HB ILE 11 5.209 -7.059 10.080 93 HG12 ILE 11 HG12 ILE 11 3.549 -5.866 12.318 94 HG13 ILE 11 HG11 ILE 11 2.965 -7.160 11.269 95 HG21 ILE 11 HG21 ILE 11 6.354 -5.869 11.983 96 HG22 ILE 11 HG22 ILE 11 5.437 -4.424 11.562 97 HG23 ILE 11 HG23 ILE 11 6.591 -5.099 10.415 98 HD11 ILE 11 HD11 ILE 11 3.916 -8.110 13.320 99 HD12 ILE 11 HD12 ILE 11 5.438 -7.269 13.022 100 HD13 ILE 11 HD13 ILE 11 4.912 -8.552 11.933 101 H CYS 12 HN CYS 12 4.400 -3.010 8.865 102 HA CYS 12 HA CYS 12 6.097 -3.772 6.561 103 HB2 CYS 12 HB2 CYS 12 4.650 -1.174 7.132 104 HB3 CYS 12 HB1 CYS 12 5.572 -1.550 5.678 105 H TYR 13 HN TYR 13 8.195 -3.320 6.605 106 HA TYR 13 HA TYR 13 9.249 -1.639 8.804 107 HB2 TYR 13 HB2 TYR 13 10.547 -3.770 7.096 108 HB3 TYR 13 HB1 TYR 13 11.417 -2.769 8.255 109 HD1 TYR 13 HD2 TYR 13 10.881 -2.897 10.679 110 HD2 TYR 13 HD1 TYR 13 9.117 -5.572 7.819 111 HE1 TYR 13 HE2 TYR 13 10.191 -4.409 12.520 112 HE2 TYR 13 HE1 TYR 13 8.425 -7.086 9.659 113 HH TYR 13 HH TYR 13 9.508 -6.582 12.952 114 H ARG 14 HN ARG 14 10.423 0.133 8.387 115 HA ARG 14 HA ARG 14 10.715 0.974 5.564 116 HB2 ARG 14 HB2 ARG 14 10.775 3.276 6.486 117 HB3 ARG 14 HB1 ARG 14 9.271 2.439 6.872 118 HG2 ARG 14 HG2 ARG 14 10.216 1.843 9.103 119 HG3 ARG 14 HG1 ARG 14 11.653 2.788 8.716 120 HD2 ARG 14 HD2 ARG 14 8.848 3.920 8.712 121 HD3 ARG 14 HD1 ARG 14 9.951 4.042 10.078 122 HE ARG 14 HE ARG 14 11.260 5.014 7.779 123 HH11 ARG 14 HH21 ARG 14 8.624 5.738 9.899 124 HH12 ARG 14 HH22 ARG 14 8.726 7.451 9.666 125 HH21 ARG 14 HH11 ARG 14 11.400 7.261 7.466 126 HH22 ARG 14 HH12 ARG 14 10.297 8.313 8.288 127 H ARG 15 HN ARG 15 12.673 1.442 4.762 128 HA ARG 15 HA ARG 15 14.962 1.796 6.576 129 HB2 ARG 15 HB2 ARG 15 14.734 -0.654 5.938 130 HB3 ARG 15 HB1 ARG 15 15.074 -0.160 4.279 131 HG2 ARG 15 HG2 ARG 15 17.203 0.833 4.993 132 HG3 ARG 15 HG1 ARG 15 16.864 0.385 6.664 133 HD2 ARG 15 HD2 ARG 15 18.356 -1.268 5.645 134 HD3 ARG 15 HD1 ARG 15 16.794 -1.999 5.999 135 HE ARG 15 HE ARG 15 16.403 -2.194 3.703 136 HH11 ARG 15 HH21 ARG 15 19.171 -0.227 4.371 137 HH12 ARG 15 HH22 ARG 15 19.712 -0.190 2.727 138 HH21 ARG 15 HH11 ARG 15 17.102 -2.148 1.547 139 HH22 ARG 15 HH12 ARG 15 18.540 -1.277 1.127 140 H CYS 16 HN CYS 16 16.286 3.349 5.884 141 HA CYS 16 HA CYS 16 16.621 3.922 3.060 142 HB2 CYS 16 HB2 CYS 16 14.512 5.175 4.059 143 HB3 CYS 16 HB1 CYS 16 15.731 6.273 4.700 144 H ARG 17 HN ARG 17 18.250 5.634 2.708 145 HA ARG 17 HA ARG 17 19.889 6.441 4.954 146 HB2 ARG 17 HB2 ARG 17 20.646 4.107 4.561 147 HB3 ARG 17 HB1 ARG 17 21.043 4.542 2.897 148 HG2 ARG 17 HG2 ARG 17 22.635 6.239 3.706 149 HG3 ARG 17 HG1 ARG 17 22.229 5.830 5.374 150 HD2 ARG 17 HD2 ARG 17 22.970 3.481 4.912 151 HD3 ARG 17 HD1 ARG 17 23.510 4.006 3.320 152 HE ARG 17 HE ARG 17 24.781 4.608 5.875 153 HH11 ARG 17 HH21 ARG 17 24.435 5.333 2.505 154 HH12 ARG 17 HH22 ARG 17 25.976 6.113 2.376 155 HH21 ARG 17 HH11 ARG 17 26.798 5.632 5.710 156 HH22 ARG 17 HH12 ARG 17 27.313 6.282 4.190 157 HN1 NH2 18 HN1 NH2 18 19.565 6.222 1.398 158 HN2 NH2 18 HN2 NH2 18 20.276 7.732 1.096 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 19.780 7.033 -3.578 2 H2 LYS 1 HT2 LYS 1 19.269 5.791 -2.536 3 H3 LYS 1 HT3 LYS 1 20.668 6.687 -2.173 4 HA LYS 1 HA LYS 1 19.213 7.732 -0.793 5 HB2 LYS 1 HB2 LYS 1 18.814 9.053 -3.492 6 HB3 LYS 1 HB1 LYS 1 18.376 9.787 -1.949 7 HG2 LYS 1 HG2 LYS 1 20.713 9.632 -1.197 8 HG3 LYS 1 HG1 LYS 1 21.160 8.881 -2.729 9 HD2 LYS 1 HD2 LYS 1 20.431 10.896 -3.943 10 HD3 LYS 1 HD1 LYS 1 19.974 11.653 -2.417 11 HE2 LYS 1 HE2 LYS 1 22.305 11.508 -1.634 12 HE3 LYS 1 HE1 LYS 1 22.770 10.739 -3.152 13 HZ1 LYS 1 HZ1 LYS 1 22.525 12.664 -4.317 14 HZ2 LYS 1 HZ2 LYS 1 22.995 13.310 -2.816 15 HZ3 LYS 1 HZ3 LYS 1 21.355 13.302 -3.263 16 H TRP 2 HN TRP 2 17.951 5.394 -2.263 17 HA TRP 2 HA TRP 2 15.121 6.279 -2.225 18 HB2 TRP 2 HB2 TRP 2 16.249 3.754 -3.444 19 HB3 TRP 2 HB1 TRP 2 14.627 4.413 -3.650 20 HD1 TRP 2 HD1 TRP 2 14.771 7.153 -4.589 21 HE1 TRP 2 HE1 TRP 2 16.114 7.955 -6.637 22 HE3 TRP 2 HE3 TRP 2 18.134 3.335 -4.986 23 HZ2 TRP 2 HZ2 TRP 2 18.324 7.092 -8.234 24 HZ3 TRP 2 HZ3 TRP 2 19.848 3.349 -6.777 25 HH2 TRP 2 HH2 TRP 2 19.946 5.221 -8.400 26 H CYS 3 HN CYS 3 13.657 5.229 -0.950 27 HA CYS 3 HA CYS 3 14.774 3.431 1.114 28 HB2 CYS 3 HB2 CYS 3 12.238 5.092 1.111 29 HB3 CYS 3 HB1 CYS 3 12.801 4.081 2.443 30 H PHE 4 HN PHE 4 13.506 1.607 1.783 31 HA PHE 4 HA PHE 4 11.529 0.640 -0.203 32 HB2 PHE 4 HB2 PHE 4 13.820 -0.935 0.995 33 HB3 PHE 4 HB1 PHE 4 12.530 -1.616 0.005 34 HD1 PHE 4 HD2 PHE 4 12.208 -0.732 -2.364 35 HD2 PHE 4 HD1 PHE 4 15.688 0.141 -0.004 36 HE1 PHE 4 HE2 PHE 4 13.440 -0.091 -4.419 37 HE2 PHE 4 HE1 PHE 4 16.921 0.782 -2.058 38 HZ PHE 4 HZ PHE 4 15.797 0.666 -4.266 39 H ARG 5 HN ARG 5 9.964 -0.780 0.604 40 HA ARG 5 HA ARG 5 9.909 -1.352 3.472 41 HB2 ARG 5 HB2 ARG 5 7.669 -0.351 3.741 42 HB3 ARG 5 HB1 ARG 5 8.878 0.866 3.333 43 HG2 ARG 5 HG2 ARG 5 8.192 0.714 0.948 44 HG3 ARG 5 HG1 ARG 5 6.939 -0.439 1.405 45 HD2 ARG 5 HD2 ARG 5 5.938 1.250 2.902 46 HD3 ARG 5 HD1 ARG 5 7.173 2.407 2.414 47 HE ARG 5 HE ARG 5 4.887 1.530 0.830 48 HH11 ARG 5 HH21 ARG 5 7.985 3.066 0.938 49 HH12 ARG 5 HH22 ARG 5 7.752 3.951 -0.531 50 HH21 ARG 5 HH11 ARG 5 4.574 2.685 -1.101 51 HH22 ARG 5 HH12 ARG 5 5.821 3.734 -1.686 52 H VAL 6 HN VAL 6 8.810 -3.186 3.943 53 HA VAL 6 HA VAL 6 6.998 -4.362 1.953 54 HB VAL 6 HB VAL 6 9.247 -5.233 1.399 55 HG11 VAL 6 HG11 VAL 6 9.201 -6.520 4.136 56 HG12 VAL 6 HG12 VAL 6 10.054 -5.011 3.819 57 HG13 VAL 6 HG13 VAL 6 10.529 -6.486 2.977 58 HG21 VAL 6 HG21 VAL 6 8.607 -7.552 1.355 59 HG22 VAL 6 HG22 VAL 6 7.119 -6.612 1.222 60 HG23 VAL 6 HG23 VAL 6 7.562 -7.350 2.761 61 H CYS 7 HN CYS 7 5.409 -5.602 2.849 62 HA CYS 7 HA CYS 7 5.247 -5.612 5.783 63 HB2 CYS 7 HB2 CYS 7 3.279 -5.851 3.538 64 HB3 CYS 7 HB1 CYS 7 2.856 -6.540 5.106 65 H TYR 8 HN TYR 8 6.305 -7.304 6.638 66 HA TYR 8 HA TYR 8 6.540 -9.850 5.371 67 HB2 TYR 8 HB2 TYR 8 7.032 -8.992 8.231 68 HB3 TYR 8 HB1 TYR 8 7.449 -10.576 7.573 69 HD1 TYR 8 HD2 TYR 8 9.182 -10.805 5.826 70 HD2 TYR 8 HD1 TYR 8 8.293 -7.011 7.634 71 HE1 TYR 8 HE2 TYR 8 11.300 -9.882 4.927 72 HE2 TYR 8 HE1 TYR 8 10.411 -6.088 6.736 73 HH TYR 8 HH TYR 8 12.301 -7.768 4.393 74 H ARG 9 HN ARG 9 4.457 -8.520 7.906 75 HA ARG 9 HA ARG 9 2.554 -10.699 7.454 76 HB2 ARG 9 HB2 ARG 9 2.319 -11.082 9.904 77 HB3 ARG 9 HB1 ARG 9 3.894 -11.569 9.279 78 HG2 ARG 9 HG2 ARG 9 4.884 -9.464 10.048 79 HG3 ARG 9 HG1 ARG 9 3.308 -8.909 10.616 80 HD2 ARG 9 HD2 ARG 9 4.566 -9.790 12.504 81 HD3 ARG 9 HD1 ARG 9 3.213 -10.863 12.156 82 HE ARG 9 HE ARG 9 5.521 -11.735 10.749 83 HH11 ARG 9 HH21 ARG 9 4.145 -11.503 13.916 84 HH12 ARG 9 HH22 ARG 9 4.983 -12.888 14.532 85 HH21 ARG 9 HH11 ARG 9 6.623 -13.553 11.549 86 HH22 ARG 9 HH12 ARG 9 6.385 -14.048 13.192 87 H GLY 10 HN GLY 10 2.401 -7.998 6.705 88 HA2 GLY 10 HA2 GLY 10 0.411 -6.676 6.643 89 HA3 GLY 10 HA1 GLY 10 0.074 -7.138 8.307 90 H ILE 11 HN ILE 11 3.129 -6.644 8.720 91 HA ILE 11 HA ILE 11 2.842 -3.741 9.244 92 HB ILE 11 HB ILE 11 4.738 -5.762 10.467 93 HG12 ILE 11 HG12 ILE 11 2.341 -4.370 11.695 94 HG13 ILE 11 HG11 ILE 11 2.283 -6.006 11.040 95 HG21 ILE 11 HG21 ILE 11 5.091 -3.869 12.107 96 HG22 ILE 11 HG22 ILE 11 4.196 -2.828 11.001 97 HG23 ILE 11 HG23 ILE 11 5.719 -3.553 10.488 98 HD11 ILE 11 HD11 ILE 11 2.676 -6.052 13.475 99 HD12 ILE 11 HD12 ILE 11 4.118 -5.062 13.263 100 HD13 ILE 11 HD13 ILE 11 4.067 -6.696 12.604 101 H CYS 12 HN CYS 12 3.785 -2.500 7.773 102 HA CYS 12 HA CYS 12 6.078 -3.487 6.226 103 HB2 CYS 12 HB2 CYS 12 4.122 -1.232 5.924 104 HB3 CYS 12 HB1 CYS 12 5.678 -1.137 5.097 105 H TYR 13 HN TYR 13 8.102 -2.917 6.656 106 HA TYR 13 HA TYR 13 8.588 -0.741 8.613 107 HB2 TYR 13 HB2 TYR 13 10.308 -3.092 7.806 108 HB3 TYR 13 HB1 TYR 13 10.774 -1.848 8.962 109 HD1 TYR 13 HD2 TYR 13 9.668 -1.664 11.143 110 HD2 TYR 13 HD1 TYR 13 8.598 -4.755 8.358 111 HE1 TYR 13 HE2 TYR 13 8.466 -2.870 12.945 112 HE2 TYR 13 HE1 TYR 13 7.393 -5.961 10.161 113 HH TYR 13 HH TYR 13 7.032 -6.065 12.377 114 H ARG 14 HN ARG 14 9.612 1.019 7.969 115 HA ARG 14 HA ARG 14 10.407 1.310 5.191 116 HB2 ARG 14 HB2 ARG 14 10.380 3.250 7.517 117 HB3 ARG 14 HB1 ARG 14 10.863 3.680 5.876 118 HG2 ARG 14 HG2 ARG 14 8.657 3.008 5.032 119 HG3 ARG 14 HG1 ARG 14 8.165 2.533 6.658 120 HD2 ARG 14 HD2 ARG 14 8.526 4.869 7.424 121 HD3 ARG 14 HD1 ARG 14 8.946 5.327 5.777 122 HE ARG 14 HE ARG 14 6.441 4.102 5.663 123 HH11 ARG 14 HH21 ARG 14 7.955 6.856 7.106 124 HH12 ARG 14 HH22 ARG 14 6.521 7.827 7.091 125 HH21 ARG 14 HH11 ARG 14 4.553 5.366 5.645 126 HH22 ARG 14 HH12 ARG 14 4.594 6.982 6.265 127 H ARG 15 HN ARG 15 12.464 1.604 4.430 128 HA ARG 15 HA ARG 15 14.709 1.612 6.340 129 HB2 ARG 15 HB2 ARG 15 14.277 -0.754 5.720 130 HB3 ARG 15 HB1 ARG 15 14.488 -0.323 4.022 131 HG2 ARG 15 HG2 ARG 15 16.785 0.423 4.475 132 HG3 ARG 15 HG1 ARG 15 16.582 0.046 6.186 133 HD2 ARG 15 HD2 ARG 15 16.101 -2.331 5.527 134 HD3 ARG 15 HD1 ARG 15 16.518 -1.902 3.871 135 HE ARG 15 HE ARG 15 18.572 -1.202 5.772 136 HH11 ARG 15 HH21 ARG 15 17.192 -3.691 3.805 137 HH12 ARG 15 HH22 ARG 15 18.658 -4.604 3.689 138 HH21 ARG 15 HH11 ARG 15 20.500 -2.395 5.627 139 HH22 ARG 15 HH12 ARG 15 20.531 -3.871 4.721 140 H CYS 16 HN CYS 16 16.192 3.056 5.774 141 HA CYS 16 HA CYS 16 16.414 3.874 2.932 142 HB2 CYS 16 HB2 CYS 16 16.525 5.705 5.343 143 HB3 CYS 16 HB1 CYS 16 16.730 6.185 3.658 144 H ARG 17 HN ARG 17 18.475 4.517 2.260 145 HA ARG 17 HA ARG 17 20.716 4.322 4.129 146 HB2 ARG 17 HB2 ARG 17 21.887 2.644 2.774 147 HB3 ARG 17 HB1 ARG 17 20.368 1.997 3.396 148 HG2 ARG 17 HG2 ARG 17 19.272 2.476 1.237 149 HG3 ARG 17 HG1 ARG 17 20.786 3.126 0.608 150 HD2 ARG 17 HD2 ARG 17 20.522 0.817 -0.130 151 HD3 ARG 17 HD1 ARG 17 21.870 0.933 0.998 152 HE ARG 17 HE ARG 17 20.633 -0.306 2.556 153 HH11 ARG 17 HH21 ARG 17 18.717 0.648 -0.162 154 HH12 ARG 17 HH22 ARG 17 17.389 -0.389 0.237 155 HH21 ARG 17 HH11 ARG 17 18.894 -1.662 3.090 156 HH22 ARG 17 HH12 ARG 17 17.486 -1.695 2.079 157 HN1 NH2 18 HN1 NH2 18 19.262 5.934 1.641 158 HN2 NH2 18 HN2 NH2 18 20.629 6.630 0.914 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 19.574 7.807 -3.481 2 H2 LYS 1 HT2 LYS 1 20.747 8.600 -2.543 3 H3 LYS 1 HT3 LYS 1 19.350 9.428 -3.040 4 HA LYS 1 HA LYS 1 19.648 7.365 -0.961 5 HB2 LYS 1 HB2 LYS 1 18.289 10.064 -1.173 6 HB3 LYS 1 HB1 LYS 1 18.137 9.003 0.227 7 HG2 LYS 1 HG2 LYS 1 20.588 9.037 0.523 8 HG3 LYS 1 HG1 LYS 1 20.741 10.105 -0.874 9 HD2 LYS 1 HD2 LYS 1 19.412 11.823 0.252 10 HD3 LYS 1 HD1 LYS 1 19.158 10.752 1.631 11 HE2 LYS 1 HE2 LYS 1 20.967 12.325 2.131 12 HE3 LYS 1 HE1 LYS 1 21.617 10.689 2.003 13 HZ1 LYS 1 HZ1 LYS 1 23.003 11.484 0.486 14 HZ2 LYS 1 HZ2 LYS 1 22.203 12.983 0.432 15 HZ3 LYS 1 HZ3 LYS 1 21.677 11.699 -0.550 16 H TRP 2 HN TRP 2 18.522 5.598 -1.667 17 HA TRP 2 HA TRP 2 15.723 5.994 -2.574 18 HB2 TRP 2 HB2 TRP 2 17.698 3.750 -3.034 19 HB3 TRP 2 HB1 TRP 2 15.976 3.606 -3.391 20 HD1 TRP 2 HD1 TRP 2 19.155 5.307 -4.566 21 HE1 TRP 2 HE1 TRP 2 18.722 6.428 -6.844 22 HE3 TRP 2 HE3 TRP 2 14.096 4.714 -4.890 23 HZ2 TRP 2 HZ2 TRP 2 16.519 6.998 -8.578 24 HZ3 TRP 2 HZ3 TRP 2 12.855 5.555 -6.864 25 HH2 TRP 2 HH2 TRP 2 14.060 6.695 -8.707 26 H CYS 3 HN CYS 3 14.078 5.044 -1.475 27 HA CYS 3 HA CYS 3 14.772 3.660 1.057 28 HB2 CYS 3 HB2 CYS 3 12.289 5.225 0.308 29 HB3 CYS 3 HB1 CYS 3 12.578 4.439 1.860 30 H PHE 4 HN PHE 4 13.797 1.736 1.562 31 HA PHE 4 HA PHE 4 11.937 0.560 -0.425 32 HB2 PHE 4 HB2 PHE 4 14.351 -0.759 0.836 33 HB3 PHE 4 HB1 PHE 4 13.109 -1.617 -0.077 34 HD1 PHE 4 HD2 PHE 4 12.734 -1.080 -2.493 35 HD2 PHE 4 HD1 PHE 4 16.021 0.562 -0.267 36 HE1 PHE 4 HE2 PHE 4 13.862 -0.461 -4.612 37 HE2 PHE 4 HE1 PHE 4 17.148 1.181 -2.387 38 HZ PHE 4 HZ PHE 4 16.068 0.669 -4.559 39 H ARG 5 HN ARG 5 10.439 -0.916 0.395 40 HA ARG 5 HA ARG 5 10.366 -1.363 3.301 41 HB2 ARG 5 HB2 ARG 5 8.047 -0.590 3.457 42 HB3 ARG 5 HB1 ARG 5 9.097 0.722 2.918 43 HG2 ARG 5 HG2 ARG 5 8.444 0.266 0.571 44 HG3 ARG 5 HG1 ARG 5 7.362 -1.011 1.127 45 HD2 ARG 5 HD2 ARG 5 6.122 0.655 2.482 46 HD3 ARG 5 HD1 ARG 5 7.172 1.923 1.857 47 HE ARG 5 HE ARG 5 5.897 0.395 -0.229 48 HH11 ARG 5 HH21 ARG 5 5.584 2.999 2.029 49 HH12 ARG 5 HH22 ARG 5 4.384 3.838 1.104 50 HH21 ARG 5 HH11 ARG 5 4.325 1.489 -1.445 51 HH22 ARG 5 HH12 ARG 5 3.672 2.983 -0.863 52 H VAL 6 HN VAL 6 9.226 -3.185 3.912 53 HA VAL 6 HA VAL 6 7.874 -4.766 1.824 54 HB VAL 6 HB VAL 6 10.126 -5.643 1.799 55 HG11 VAL 6 HG11 VAL 6 10.760 -4.702 4.042 56 HG12 VAL 6 HG12 VAL 6 11.279 -6.369 3.800 57 HG13 VAL 6 HG13 VAL 6 9.864 -6.022 4.794 58 HG21 VAL 6 HG21 VAL 6 8.092 -7.218 1.909 59 HG22 VAL 6 HG22 VAL 6 8.559 -7.512 3.584 60 HG23 VAL 6 HG23 VAL 6 9.665 -7.925 2.273 61 H CYS 7 HN CYS 7 6.111 -5.825 2.567 62 HA CYS 7 HA CYS 7 5.554 -5.666 5.480 63 HB2 CYS 7 HB2 CYS 7 3.456 -6.068 3.360 64 HB3 CYS 7 HB1 CYS 7 3.282 -5.405 4.985 65 H TYR 8 HN TYR 8 5.277 -7.500 6.588 66 HA TYR 8 HA TYR 8 5.485 -10.050 5.158 67 HB2 TYR 8 HB2 TYR 8 5.696 -9.284 8.072 68 HB3 TYR 8 HB1 TYR 8 5.715 -10.957 7.514 69 HD1 TYR 8 HD1 TYR 8 7.475 -7.692 7.295 70 HD2 TYR 8 HD2 TYR 8 7.643 -11.903 6.454 71 HE1 TYR 8 HE1 TYR 8 9.885 -7.487 6.747 72 HE2 TYR 8 HE2 TYR 8 10.052 -11.697 5.906 73 HH TYR 8 HH TYR 8 11.539 -9.184 5.072 74 H ARG 9 HN ARG 9 3.764 -9.527 8.184 75 HA ARG 9 HA ARG 9 1.231 -10.375 6.907 76 HB2 ARG 9 HB2 ARG 9 2.489 -11.490 9.425 77 HB3 ARG 9 HB1 ARG 9 0.816 -11.779 8.942 78 HG2 ARG 9 HG2 ARG 9 1.600 -12.750 6.814 79 HG3 ARG 9 HG1 ARG 9 3.269 -12.479 7.306 80 HD2 ARG 9 HD2 ARG 9 2.923 -13.938 9.273 81 HD3 ARG 9 HD1 ARG 9 1.265 -14.230 8.756 82 HE ARG 9 HE ARG 9 3.142 -14.875 6.690 83 HH11 ARG 9 HH21 ARG 9 1.747 -15.937 9.672 84 HH12 ARG 9 HH22 ARG 9 1.973 -17.621 9.338 85 HH21 ARG 9 HH11 ARG 9 3.441 -17.082 6.243 86 HH22 ARG 9 HH12 ARG 9 2.933 -18.271 7.396 87 H GLY 10 HN GLY 10 1.415 -7.828 7.196 88 HA2 GLY 10 HA2 GLY 10 -0.187 -6.288 8.110 89 HA3 GLY 10 HA1 GLY 10 -0.167 -7.195 9.618 90 H ILE 11 HN ILE 11 2.932 -7.258 9.061 91 HA ILE 11 HA ILE 11 3.470 -4.659 10.387 92 HB ILE 11 HB ILE 11 5.088 -7.222 10.385 93 HG12 ILE 11 HG12 ILE 11 3.587 -5.901 12.662 94 HG13 ILE 11 HG11 ILE 11 2.897 -7.197 11.683 95 HG21 ILE 11 HG21 ILE 11 6.289 -5.948 12.257 96 HG22 ILE 11 HG22 ILE 11 5.479 -4.503 11.655 97 HG23 ILE 11 HG23 ILE 11 6.597 -5.385 10.616 98 HD11 ILE 11 HD11 ILE 11 3.905 -8.157 13.685 99 HD12 ILE 11 HD12 ILE 11 5.433 -7.349 13.336 100 HD13 ILE 11 HD13 ILE 11 4.852 -8.631 12.275 101 H CYS 12 HN CYS 12 4.279 -3.179 9.064 102 HA CYS 12 HA CYS 12 6.244 -4.014 7.013 103 HB2 CYS 12 HB2 CYS 12 3.776 -3.373 6.255 104 HB3 CYS 12 HB1 CYS 12 4.396 -1.733 6.418 105 H TYR 13 HN TYR 13 7.894 -2.561 6.593 106 HA TYR 13 HA TYR 13 7.994 -0.035 8.079 107 HB2 TYR 13 HB2 TYR 13 10.253 -0.619 8.984 108 HB3 TYR 13 HB1 TYR 13 8.947 -1.571 9.688 109 HD1 TYR 13 HD1 TYR 13 11.610 -1.616 7.074 110 HD2 TYR 13 HD2 TYR 13 8.899 -3.936 9.468 111 HE1 TYR 13 HE1 TYR 13 12.718 -3.700 6.312 112 HE2 TYR 13 HE2 TYR 13 10.008 -6.018 8.706 113 HH TYR 13 HH TYR 13 12.404 -5.996 6.156 114 H ARG 14 HN ARG 14 9.896 1.261 7.463 115 HA ARG 14 HA ARG 14 10.887 0.611 4.740 116 HB2 ARG 14 HB2 ARG 14 10.730 3.007 4.206 117 HB3 ARG 14 HB1 ARG 14 9.148 2.347 4.620 118 HG2 ARG 14 HG2 ARG 14 9.378 3.219 6.917 119 HG3 ARG 14 HG1 ARG 14 10.960 3.882 6.512 120 HD2 ARG 14 HD2 ARG 14 9.915 5.286 4.762 121 HD3 ARG 14 HD1 ARG 14 8.336 4.647 5.208 122 HE ARG 14 HE ARG 14 9.457 5.664 7.542 123 HH11 ARG 14 HH21 ARG 14 8.535 6.780 4.400 124 HH12 ARG 14 HH22 ARG 14 8.151 8.383 4.929 125 HH21 ARG 14 HH11 ARG 14 8.957 7.765 8.245 126 HH22 ARG 14 HH12 ARG 14 8.390 8.941 7.107 127 H ARG 15 HN ARG 15 12.983 1.237 4.265 128 HA ARG 15 HA ARG 15 14.596 2.404 6.456 129 HB2 ARG 15 HB2 ARG 15 15.232 -0.107 4.887 130 HB3 ARG 15 HB1 ARG 15 16.379 0.736 5.929 131 HG2 ARG 15 HG2 ARG 15 14.943 0.386 7.867 132 HG3 ARG 15 HG1 ARG 15 13.697 -0.339 6.850 133 HD2 ARG 15 HD2 ARG 15 14.972 -2.106 7.941 134 HD3 ARG 15 HD1 ARG 15 15.303 -2.131 6.212 135 HE ARG 15 HE ARG 15 17.209 -0.512 7.590 136 HH11 ARG 15 HH21 ARG 15 16.245 -3.770 6.939 137 HH12 ARG 15 HH22 ARG 15 17.834 -4.429 7.141 138 HH21 ARG 15 HH11 ARG 15 19.298 -1.368 7.857 139 HH22 ARG 15 HH12 ARG 15 19.562 -3.067 7.661 140 H CYS 16 HN CYS 16 15.532 4.164 5.703 141 HA CYS 16 HA CYS 16 16.131 4.399 2.818 142 HB2 CYS 16 HB2 CYS 16 15.946 6.496 4.992 143 HB3 CYS 16 HB1 CYS 16 16.315 6.819 3.298 144 H ARG 17 HN ARG 17 18.168 4.942 2.088 145 HA ARG 17 HA ARG 17 20.348 5.624 3.777 146 HB2 ARG 17 HB2 ARG 17 20.082 3.256 4.467 147 HB3 ARG 17 HB1 ARG 17 20.313 2.761 2.791 148 HG2 ARG 17 HG2 ARG 17 22.550 3.799 2.785 149 HG3 ARG 17 HG1 ARG 17 22.320 4.307 4.459 150 HD2 ARG 17 HD2 ARG 17 22.014 1.900 5.084 151 HD3 ARG 17 HD1 ARG 17 22.415 1.459 3.427 152 HE ARG 17 HE ARG 17 24.258 2.415 5.469 153 HH11 ARG 17 HH21 ARG 17 23.610 1.867 2.114 154 HH12 ARG 17 HH22 ARG 17 25.279 1.812 1.658 155 HH21 ARG 17 HH11 ARG 17 26.450 2.345 4.880 156 HH22 ARG 17 HH12 ARG 17 26.889 2.083 3.223 157 HN1 NH2 18 HN1 NH2 18 20.990 3.325 1.211 158 HN2 NH2 18 HN2 NH2 18 21.474 4.471 0.057 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 19.905 7.716 -2.904 2 H2 LYS 1 HT2 LYS 1 20.771 8.727 -1.849 3 H3 LYS 1 HT3 LYS 1 19.278 9.234 -2.481 4 HA LYS 1 HA LYS 1 19.771 7.077 -0.510 5 HB2 LYS 1 HB2 LYS 1 18.240 9.693 -0.460 6 HB3 LYS 1 HB1 LYS 1 18.154 8.481 0.819 7 HG2 LYS 1 HG2 LYS 1 20.587 8.652 1.160 8 HG3 LYS 1 HG1 LYS 1 20.687 9.856 -0.127 9 HD2 LYS 1 HD2 LYS 1 19.239 11.373 1.140 10 HD3 LYS 1 HD1 LYS 1 19.048 10.161 2.408 11 HE2 LYS 1 HE2 LYS 1 20.740 11.602 3.228 12 HE3 LYS 1 HE1 LYS 1 21.623 10.213 2.592 13 HZ1 LYS 1 HZ1 LYS 1 21.934 12.856 1.868 14 HZ2 LYS 1 HZ2 LYS 1 21.149 12.124 0.552 15 HZ3 LYS 1 HZ3 LYS 1 22.627 11.502 1.114 16 H TRP 2 HN TRP 2 18.622 5.316 -1.013 17 HA TRP 2 HA TRP 2 15.973 5.629 -2.317 18 HB2 TRP 2 HB2 TRP 2 17.924 3.312 -2.291 19 HB3 TRP 2 HB1 TRP 2 16.299 3.236 -2.974 20 HD1 TRP 2 HD1 TRP 2 19.710 4.869 -3.517 21 HE1 TRP 2 HE1 TRP 2 19.813 5.792 -5.922 22 HE3 TRP 2 HE3 TRP 2 14.875 4.096 -4.968 23 HZ2 TRP 2 HZ2 TRP 2 18.076 6.153 -8.164 24 HZ3 TRP 2 HZ3 TRP 2 14.127 4.738 -7.241 25 HH2 TRP 2 HH2 TRP 2 15.718 5.764 -8.840 26 H CYS 3 HN CYS 3 14.187 4.799 -1.353 27 HA CYS 3 HA CYS 3 14.530 3.292 1.180 28 HB2 CYS 3 HB2 CYS 3 12.525 5.491 0.623 29 HB3 CYS 3 HB1 CYS 3 12.628 4.539 2.105 30 H PHE 4 HN PHE 4 13.101 1.643 1.542 31 HA PHE 4 HA PHE 4 10.911 1.200 -0.387 32 HB2 PHE 4 HB2 PHE 4 13.025 -0.853 0.320 33 HB3 PHE 4 HB1 PHE 4 11.586 -1.153 -0.655 34 HD1 PHE 4 HD2 PHE 4 11.264 0.164 -2.809 35 HD2 PHE 4 HD1 PHE 4 14.975 0.103 -0.646 36 HE1 PHE 4 HE2 PHE 4 12.454 0.976 -4.828 37 HE2 PHE 4 HE1 PHE 4 16.165 0.913 -2.664 38 HZ PHE 4 HZ PHE 4 14.903 1.352 -4.756 39 H ARG 5 HN ARG 5 9.258 -0.194 0.377 40 HA ARG 5 HA ARG 5 9.391 -1.028 3.200 41 HB2 ARG 5 HB2 ARG 5 7.246 0.025 3.704 42 HB3 ARG 5 HB1 ARG 5 8.407 1.245 3.182 43 HG2 ARG 5 HG2 ARG 5 7.454 1.085 0.869 44 HG3 ARG 5 HG1 ARG 5 6.220 -0.007 1.497 45 HD2 ARG 5 HD2 ARG 5 5.483 1.743 3.079 46 HD3 ARG 5 HD1 ARG 5 6.690 2.840 2.414 47 HE ARG 5 HE ARG 5 4.907 1.756 0.418 48 HH11 ARG 5 HH21 ARG 5 5.410 4.202 2.814 49 HH12 ARG 5 HH22 ARG 5 4.330 5.337 2.078 50 HH21 ARG 5 HH11 ARG 5 3.492 3.238 -0.552 51 HH22 ARG 5 HH12 ARG 5 3.244 4.794 0.173 52 H VAL 6 HN VAL 6 8.440 -2.941 3.555 53 HA VAL 6 HA VAL 6 6.378 -3.945 1.718 54 HB VAL 6 HB VAL 6 8.393 -4.762 0.671 55 HG11 VAL 6 HG11 VAL 6 10.083 -6.020 1.905 56 HG12 VAL 6 HG12 VAL 6 9.150 -5.864 3.392 57 HG13 VAL 6 HG13 VAL 6 9.871 -4.437 2.650 58 HG21 VAL 6 HG21 VAL 6 6.405 -6.339 1.098 59 HG22 VAL 6 HG22 VAL 6 7.391 -7.054 2.373 60 HG23 VAL 6 HG23 VAL 6 7.944 -7.100 0.698 61 H CYS 7 HN CYS 7 4.944 -5.324 2.693 62 HA CYS 7 HA CYS 7 5.134 -5.564 5.600 63 HB2 CYS 7 HB2 CYS 7 2.965 -6.058 3.569 64 HB3 CYS 7 HB1 CYS 7 2.804 -6.646 5.225 65 H TYR 8 HN TYR 8 6.390 -7.208 6.294 66 HA TYR 8 HA TYR 8 6.213 -9.829 4.922 67 HB2 TYR 8 HB2 TYR 8 8.473 -8.864 5.099 68 HB3 TYR 8 HB1 TYR 8 8.301 -8.789 6.852 69 HD1 TYR 8 HD1 TYR 8 7.833 -11.281 4.070 70 HD2 TYR 8 HD2 TYR 8 9.215 -10.566 8.076 71 HE1 TYR 8 HE1 TYR 8 8.582 -13.637 4.237 72 HE2 TYR 8 HE2 TYR 8 9.957 -12.922 8.242 73 HH TYR 8 HH TYR 8 10.127 -14.870 7.207 74 H ARG 9 HN ARG 9 5.343 -8.145 7.781 75 HA ARG 9 HA ARG 9 4.394 -10.673 8.994 76 HB2 ARG 9 HB2 ARG 9 5.787 -8.417 10.463 77 HB3 ARG 9 HB1 ARG 9 5.031 -9.821 11.221 78 HG2 ARG 9 HG2 ARG 9 6.549 -11.316 9.997 79 HG3 ARG 9 HG1 ARG 9 7.293 -9.927 9.210 80 HD2 ARG 9 HD2 ARG 9 8.694 -10.587 11.076 81 HD3 ARG 9 HD1 ARG 9 7.928 -9.050 11.463 82 HE ARG 9 HE ARG 9 6.663 -10.129 13.113 83 HH11 ARG 9 HH21 ARG 9 8.396 -12.373 11.125 84 HH12 ARG 9 HH22 ARG 9 8.086 -13.734 12.152 85 HH21 ARG 9 HH11 ARG 9 6.256 -11.908 14.464 86 HH22 ARG 9 HH12 ARG 9 6.875 -13.471 14.041 87 H GLY 10 HN GLY 10 3.207 -8.380 7.428 88 HA2 GLY 10 HA2 GLY 10 0.938 -7.702 7.486 89 HA3 GLY 10 HA1 GLY 10 0.935 -7.898 9.235 90 H ILE 11 HN ILE 11 3.733 -6.428 8.833 91 HA ILE 11 HA ILE 11 2.610 -3.674 8.862 92 HB ILE 11 HB ILE 11 4.911 -4.810 10.473 93 HG12 ILE 11 HG12 ILE 11 2.250 -3.699 11.409 94 HG13 ILE 11 HG11 ILE 11 2.549 -5.420 11.179 95 HG21 ILE 11 HG21 ILE 11 4.729 -2.500 11.570 96 HG22 ILE 11 HG22 ILE 11 3.759 -2.027 10.174 97 HG23 ILE 11 HG23 ILE 11 5.433 -2.537 9.953 98 HD11 ILE 11 HD11 ILE 11 4.315 -5.402 12.834 99 HD12 ILE 11 HD12 ILE 11 2.894 -4.641 13.548 100 HD13 ILE 11 HD13 ILE 11 4.230 -3.645 12.969 101 H CYS 12 HN CYS 12 3.448 -2.329 7.387 102 HA CYS 12 HA CYS 12 5.728 -3.234 5.774 103 HB2 CYS 12 HB2 CYS 12 3.577 -1.165 5.441 104 HB3 CYS 12 HB1 CYS 12 5.056 -1.053 4.483 105 H TYR 13 HN TYR 13 7.484 -2.879 7.128 106 HA TYR 13 HA TYR 13 7.918 -0.279 8.341 107 HB2 TYR 13 HB2 TYR 13 8.690 -2.294 9.489 108 HB3 TYR 13 HB1 TYR 13 9.733 -2.689 8.124 109 HD1 TYR 13 HD1 TYR 13 9.085 -0.142 10.762 110 HD2 TYR 13 HD2 TYR 13 11.869 -1.668 7.869 111 HE1 TYR 13 HE1 TYR 13 10.856 1.319 11.697 112 HE2 TYR 13 HE2 TYR 13 13.641 -0.207 8.804 113 HH TYR 13 HH TYR 13 14.194 1.158 10.494 114 H ARG 14 HN ARG 14 9.212 1.307 7.617 115 HA ARG 14 HA ARG 14 10.192 1.105 4.857 116 HB2 ARG 14 HB2 ARG 14 10.432 3.539 4.996 117 HB3 ARG 14 HB1 ARG 14 8.814 3.048 5.491 118 HG2 ARG 14 HG2 ARG 14 9.520 3.167 7.868 119 HG3 ARG 14 HG1 ARG 14 11.115 3.719 7.353 120 HD2 ARG 14 HD2 ARG 14 10.072 5.671 6.248 121 HD3 ARG 14 HD1 ARG 14 8.493 5.135 6.813 122 HE ARG 14 HE ARG 14 10.400 5.436 8.952 123 HH11 ARG 14 HH21 ARG 14 8.156 7.035 6.861 124 HH12 ARG 14 HH22 ARG 14 7.856 8.344 7.955 125 HH21 ARG 14 HH11 ARG 14 10.012 7.147 10.393 126 HH22 ARG 14 HH12 ARG 14 8.908 8.408 9.955 127 H ARG 15 HN ARG 15 12.305 1.242 4.272 128 HA ARG 15 HA ARG 15 14.345 1.709 6.354 129 HB2 ARG 15 HB2 ARG 15 14.004 -0.745 6.162 130 HB3 ARG 15 HB1 ARG 15 14.381 -0.640 4.443 131 HG2 ARG 15 HG2 ARG 15 16.614 0.247 4.969 132 HG3 ARG 15 HG1 ARG 15 16.240 0.191 6.691 133 HD2 ARG 15 HD2 ARG 15 16.195 -2.230 4.874 134 HD3 ARG 15 HD1 ARG 15 17.570 -1.780 5.875 135 HE ARG 15 HE ARG 15 15.316 -1.894 7.537 136 HH11 ARG 15 HH21 ARG 15 17.249 -3.953 5.541 137 HH12 ARG 15 HH22 ARG 15 16.977 -5.369 6.501 138 HH21 ARG 15 HH11 ARG 15 14.955 -3.745 8.802 139 HH22 ARG 15 HH12 ARG 15 15.678 -5.250 8.347 140 H CYS 16 HN CYS 16 15.960 2.960 5.667 141 HA CYS 16 HA CYS 16 16.250 3.457 2.750 142 HB2 CYS 16 HB2 CYS 16 16.714 5.357 5.061 143 HB3 CYS 16 HB1 CYS 16 16.983 5.726 3.359 144 H ARG 17 HN ARG 17 18.257 3.315 1.894 145 HA ARG 17 HA ARG 17 20.410 2.328 3.649 146 HB2 ARG 17 HB2 ARG 17 20.114 2.331 0.635 147 HB3 ARG 17 HB1 ARG 17 21.500 1.679 1.509 148 HG2 ARG 17 HG2 ARG 17 20.045 0.086 2.675 149 HG3 ARG 17 HG1 ARG 17 18.631 0.762 1.865 150 HD2 ARG 17 HD2 ARG 17 19.326 -1.257 0.692 151 HD3 ARG 17 HD1 ARG 17 19.638 0.144 -0.330 152 HE ARG 17 HE ARG 17 21.936 -0.226 -0.078 153 HH11 ARG 17 HH21 ARG 17 20.065 -2.201 2.060 154 HH12 ARG 17 HH22 ARG 17 21.398 -3.212 2.515 155 HH21 ARG 17 HH11 ARG 17 23.688 -1.547 0.514 156 HH22 ARG 17 HH12 ARG 17 23.449 -2.841 1.639 157 HN1 NH2 18 HN1 NH2 18 19.468 5.244 2.105 158 HN2 NH2 18 HN2 NH2 18 20.975 6.019 2.165 Start of MODEL 13 1 H1 LYS 1 HT1 LYS 1 20.341 5.141 -2.342 2 H2 LYS 1 HT2 LYS 1 21.559 6.317 -2.213 3 H3 LYS 1 HT3 LYS 1 20.358 6.463 -3.405 4 HA LYS 1 HA LYS 1 19.953 6.641 -0.472 5 HB2 LYS 1 HB2 LYS 1 19.341 8.990 -1.001 6 HB3 LYS 1 HB1 LYS 1 21.014 8.634 -1.427 7 HG2 LYS 1 HG2 LYS 1 20.334 8.259 -3.774 8 HG3 LYS 1 HG1 LYS 1 18.668 8.641 -3.352 9 HD2 LYS 1 HD2 LYS 1 19.360 10.894 -2.629 10 HD3 LYS 1 HD1 LYS 1 21.030 10.517 -3.057 11 HE2 LYS 1 HE2 LYS 1 20.363 10.166 -5.400 12 HE3 LYS 1 HE1 LYS 1 18.685 10.518 -4.982 13 HZ1 LYS 1 HZ1 LYS 1 20.986 12.333 -5.124 14 HZ2 LYS 1 HZ2 LYS 1 19.737 12.685 -4.028 15 HZ3 LYS 1 HZ3 LYS 1 19.402 12.555 -5.689 16 H TRP 2 HN TRP 2 18.637 4.680 -1.981 17 HA TRP 2 HA TRP 2 15.938 5.808 -2.454 18 HB2 TRP 2 HB2 TRP 2 17.219 3.218 -3.354 19 HB3 TRP 2 HB1 TRP 2 15.518 3.617 -3.600 20 HD1 TRP 2 HD1 TRP 2 19.014 4.525 -4.760 21 HE1 TRP 2 HE1 TRP 2 18.847 6.019 -6.853 22 HE3 TRP 2 HE3 TRP 2 13.981 5.371 -4.834 23 HZ2 TRP 2 HZ2 TRP 2 16.840 7.394 -8.361 24 HZ3 TRP 2 HZ3 TRP 2 12.969 6.776 -6.606 25 HH2 TRP 2 HH2 TRP 2 14.390 7.787 -8.368 26 H CYS 3 HN CYS 3 14.235 5.162 -1.250 27 HA CYS 3 HA CYS 3 14.808 3.467 1.092 28 HB2 CYS 3 HB2 CYS 3 12.337 5.126 0.561 29 HB3 CYS 3 HB1 CYS 3 12.889 4.471 2.103 30 H PHE 4 HN PHE 4 13.137 1.917 1.768 31 HA PHE 4 HA PHE 4 11.561 0.787 -0.476 32 HB2 PHE 4 HB2 PHE 4 13.340 -0.700 1.472 33 HB3 PHE 4 HB1 PHE 4 12.162 -1.480 0.414 34 HD1 PHE 4 HD2 PHE 4 12.446 -1.448 -2.034 35 HD2 PHE 4 HD1 PHE 4 15.383 0.269 0.589 36 HE1 PHE 4 HE2 PHE 4 14.079 -1.396 -3.899 37 HE2 PHE 4 HE1 PHE 4 17.016 0.321 -1.276 38 HZ PHE 4 HZ PHE 4 16.365 -0.511 -3.519 39 H ARG 5 HN ARG 5 9.658 -0.270 0.100 40 HA ARG 5 HA ARG 5 8.828 -0.236 2.926 41 HB2 ARG 5 HB2 ARG 5 8.090 1.920 1.951 42 HB3 ARG 5 HB1 ARG 5 7.220 1.039 0.696 43 HG2 ARG 5 HG2 ARG 5 5.813 -0.044 2.384 44 HG3 ARG 5 HG1 ARG 5 6.719 0.750 3.673 45 HD2 ARG 5 HD2 ARG 5 6.001 2.946 2.861 46 HD3 ARG 5 HD1 ARG 5 5.157 2.191 1.512 47 HE ARG 5 HE ARG 5 3.452 1.551 2.977 48 HH11 ARG 5 HH21 ARG 5 6.215 2.766 4.666 49 HH12 ARG 5 HH22 ARG 5 5.408 2.870 6.195 50 HH21 ARG 5 HH11 ARG 5 2.386 1.685 4.980 51 HH22 ARG 5 HH12 ARG 5 3.241 2.257 6.372 52 H VAL 6 HN VAL 6 8.816 -2.481 2.934 53 HA VAL 6 HA VAL 6 6.664 -3.743 1.325 54 HB VAL 6 HB VAL 6 9.445 -4.811 1.872 55 HG11 VAL 6 HG11 VAL 6 6.936 -6.172 0.870 56 HG12 VAL 6 HG12 VAL 6 7.986 -6.670 2.197 57 HG13 VAL 6 HG13 VAL 6 8.547 -6.801 0.528 58 HG21 VAL 6 HG21 VAL 6 9.157 -3.257 -0.063 59 HG22 VAL 6 HG22 VAL 6 7.922 -4.337 -0.710 60 HG23 VAL 6 HG23 VAL 6 9.590 -4.891 -0.566 61 H CYS 7 HN CYS 7 5.267 -4.936 2.486 62 HA CYS 7 HA CYS 7 5.797 -5.277 5.370 63 HB2 CYS 7 HB2 CYS 7 3.624 -4.236 4.232 64 HB3 CYS 7 HB1 CYS 7 3.141 -5.929 4.145 65 H TYR 8 HN TYR 8 6.108 -7.228 6.273 66 HA TYR 8 HA TYR 8 6.156 -9.582 4.510 67 HB2 TYR 8 HB2 TYR 8 7.252 -9.101 7.290 68 HB3 TYR 8 HB1 TYR 8 7.378 -10.629 6.420 69 HD1 TYR 8 HD2 TYR 8 8.644 -10.740 4.262 70 HD2 TYR 8 HD1 TYR 8 8.649 -7.231 6.740 71 HE1 TYR 8 HE2 TYR 8 10.638 -9.891 3.057 72 HE2 TYR 8 HE1 TYR 8 10.644 -6.383 5.538 73 HH TYR 8 HH TYR 8 11.894 -8.009 2.678 74 H ARG 9 HN ARG 9 5.520 -9.443 7.990 75 HA ARG 9 HA ARG 9 3.044 -11.025 7.554 76 HB2 ARG 9 HB2 ARG 9 5.027 -11.009 9.836 77 HB3 ARG 9 HB1 ARG 9 3.449 -11.791 9.929 78 HG2 ARG 9 HG2 ARG 9 4.010 -13.189 7.988 79 HG3 ARG 9 HG1 ARG 9 5.576 -12.393 7.853 80 HD2 ARG 9 HD2 ARG 9 6.198 -13.201 10.090 81 HD3 ARG 9 HD1 ARG 9 4.623 -13.973 10.258 82 HE ARG 9 HE ARG 9 5.332 -15.664 8.802 83 HH11 ARG 9 HH21 ARG 9 7.558 -13.018 8.898 84 HH12 ARG 9 HH22 ARG 9 8.817 -13.865 8.061 85 HH21 ARG 9 HH11 ARG 9 6.978 -16.783 7.705 86 HH22 ARG 9 HH12 ARG 9 8.488 -15.997 7.386 87 H GLY 10 HN GLY 10 2.817 -8.314 7.286 88 HA2 GLY 10 HA2 GLY 10 1.153 -6.818 8.000 89 HA3 GLY 10 HA1 GLY 10 1.088 -7.652 9.550 90 H ILE 11 HN ILE 11 4.283 -7.241 8.873 91 HA ILE 11 HA ILE 11 4.464 -4.875 10.621 92 HB ILE 11 HB ILE 11 6.939 -5.550 10.633 93 HG12 ILE 11 HG12 ILE 11 5.814 -8.145 9.547 94 HG13 ILE 11 HG11 ILE 11 6.671 -6.980 8.539 95 HG21 ILE 11 HG21 ILE 11 4.908 -7.552 11.667 96 HG22 ILE 11 HG22 ILE 11 5.327 -6.038 12.466 97 HG23 ILE 11 HG23 ILE 11 6.540 -7.307 12.289 98 HD11 ILE 11 HD11 ILE 11 8.664 -7.175 9.912 99 HD12 ILE 11 HD12 ILE 11 8.154 -8.795 9.437 100 HD13 ILE 11 HD13 ILE 11 7.815 -8.204 11.064 101 H CYS 12 HN CYS 12 3.687 -3.586 8.712 102 HA CYS 12 HA CYS 12 5.550 -3.224 6.527 103 HB2 CYS 12 HB2 CYS 12 3.344 -1.270 7.073 104 HB3 CYS 12 HB1 CYS 12 3.897 -1.941 5.538 105 H TYR 13 HN TYR 13 7.348 -2.076 6.707 106 HA TYR 13 HA TYR 13 7.317 0.473 8.168 107 HB2 TYR 13 HB2 TYR 13 9.254 -1.783 8.724 108 HB3 TYR 13 HB1 TYR 13 9.497 -0.120 9.258 109 HD1 TYR 13 HD2 TYR 13 7.848 0.945 10.816 110 HD2 TYR 13 HD1 TYR 13 7.701 -3.236 9.838 111 HE1 TYR 13 HE2 TYR 13 6.388 0.536 12.779 112 HE2 TYR 13 HE1 TYR 13 6.243 -3.644 11.802 113 HH TYR 13 HH TYR 13 5.890 -2.370 14.124 114 H ARG 14 HN ARG 14 8.749 1.978 7.388 115 HA ARG 14 HA ARG 14 9.735 1.517 4.711 116 HB2 ARG 14 HB2 ARG 14 9.911 3.915 6.552 117 HB3 ARG 14 HB1 ARG 14 10.473 3.898 4.880 118 HG2 ARG 14 HG2 ARG 14 8.208 3.342 4.104 119 HG3 ARG 14 HG1 ARG 14 7.635 3.316 5.772 120 HD2 ARG 14 HD2 ARG 14 8.921 5.735 4.484 121 HD3 ARG 14 HD1 ARG 14 7.179 5.478 4.552 122 HE ARG 14 HE ARG 14 8.185 5.220 7.159 123 HH11 ARG 14 HH21 ARG 14 7.864 7.581 4.652 124 HH12 ARG 14 HH22 ARG 14 7.730 8.922 5.740 125 HH21 ARG 14 HH11 ARG 14 8.009 6.970 8.593 126 HH22 ARG 14 HH12 ARG 14 7.812 8.575 7.974 127 H ARG 15 HN ARG 15 11.864 1.457 4.037 128 HA ARG 15 HA ARG 15 13.961 1.412 6.126 129 HB2 ARG 15 HB2 ARG 15 13.333 -0.916 5.555 130 HB3 ARG 15 HB1 ARG 15 13.674 -0.583 3.859 131 HG2 ARG 15 HG2 ARG 15 15.592 -1.704 4.916 132 HG3 ARG 15 HG1 ARG 15 16.031 -0.066 4.438 133 HD2 ARG 15 HD2 ARG 15 16.110 0.697 6.638 134 HD3 ARG 15 HD1 ARG 15 14.972 -0.517 7.217 135 HE ARG 15 HE ARG 15 17.073 -2.047 6.536 136 HH11 ARG 15 HH21 ARG 15 16.831 0.939 8.271 137 HH12 ARG 15 HH22 ARG 15 18.204 0.626 9.278 138 HH21 ARG 15 HH11 ARG 15 18.875 -2.466 7.858 139 HH22 ARG 15 HH12 ARG 15 19.361 -1.302 9.043 140 H CYS 16 HN CYS 16 15.533 2.794 5.657 141 HA CYS 16 HA CYS 16 16.352 3.204 2.870 142 HB2 CYS 16 HB2 CYS 16 14.558 4.945 3.859 143 HB3 CYS 16 HB1 CYS 16 16.022 5.698 4.487 144 H ARG 17 HN ARG 17 18.407 4.336 2.698 145 HA ARG 17 HA ARG 17 20.011 4.864 5.001 146 HB2 ARG 17 HB2 ARG 17 19.970 2.386 5.102 147 HB3 ARG 17 HB1 ARG 17 20.652 2.329 3.476 148 HG2 ARG 17 HG2 ARG 17 22.649 3.518 4.235 149 HG3 ARG 17 HG1 ARG 17 21.963 3.685 5.850 150 HD2 ARG 17 HD2 ARG 17 23.508 1.809 5.848 151 HD3 ARG 17 HD1 ARG 17 21.866 1.197 6.023 152 HE ARG 17 HE ARG 17 22.624 1.265 3.274 153 HH11 ARG 17 HH21 ARG 17 23.082 -0.428 6.259 154 HH12 ARG 17 HH22 ARG 17 23.469 -1.938 5.503 155 HH21 ARG 17 HH11 ARG 17 23.133 -0.714 2.277 156 HH22 ARG 17 HH12 ARG 17 23.497 -2.099 3.249 157 HN1 NH2 18 HN1 NH2 18 19.803 4.283 1.518 158 HN2 NH2 18 HN2 NH2 18 21.096 5.301 1.103 Start of MODEL 14 1 H1 LYS 1 HT1 LYS 1 19.625 7.025 -2.733 2 H2 LYS 1 HT2 LYS 1 18.660 6.851 -1.345 3 H3 LYS 1 HT3 LYS 1 19.310 8.369 -1.746 4 HA LYS 1 HA LYS 1 17.150 8.593 -2.460 5 HB2 LYS 1 HB2 LYS 1 18.818 7.511 -4.742 6 HB3 LYS 1 HB1 LYS 1 17.245 8.270 -4.975 7 HG2 LYS 1 HG2 LYS 1 18.059 10.323 -3.891 8 HG3 LYS 1 HG1 LYS 1 19.631 9.567 -3.630 9 HD2 LYS 1 HD2 LYS 1 19.984 9.358 -6.030 10 HD3 LYS 1 HD1 LYS 1 18.364 9.978 -6.351 11 HE2 LYS 1 HE2 LYS 1 20.041 11.758 -6.635 12 HE3 LYS 1 HE1 LYS 1 18.975 12.120 -5.276 13 HZ1 LYS 1 HZ1 LYS 1 21.426 10.608 -4.752 14 HZ2 LYS 1 HZ2 LYS 1 20.606 11.719 -3.763 15 HZ3 LYS 1 HZ3 LYS 1 21.569 12.272 -5.050 16 H TRP 2 HN TRP 2 18.223 5.448 -2.107 17 HA TRP 2 HA TRP 2 15.669 4.293 -3.089 18 HB2 TRP 2 HB2 TRP 2 18.205 2.770 -2.493 19 HB3 TRP 2 HB1 TRP 2 16.797 2.231 -3.408 20 HD1 TRP 2 HD1 TRP 2 16.276 4.049 -5.610 21 HE1 TRP 2 HE1 TRP 2 18.016 4.816 -7.351 22 HE3 TRP 2 HE3 TRP 2 20.570 3.108 -3.029 23 HZ2 TRP 2 HZ2 TRP 2 20.862 5.007 -7.612 24 HZ3 TRP 2 HZ3 TRP 2 22.782 3.589 -4.039 25 HH2 TRP 2 HH2 TRP 2 22.933 4.536 -6.326 26 H CYS 3 HN CYS 3 14.452 3.059 -1.716 27 HA CYS 3 HA CYS 3 15.432 2.605 1.026 28 HB2 CYS 3 HB2 CYS 3 14.096 4.736 0.949 29 HB3 CYS 3 HB1 CYS 3 12.707 3.778 0.438 30 H PHE 4 HN PHE 4 14.451 0.866 2.091 31 HA PHE 4 HA PHE 4 12.982 -0.993 0.311 32 HB2 PHE 4 HB2 PHE 4 14.605 -1.571 2.801 33 HB3 PHE 4 HB1 PHE 4 13.831 -2.769 1.765 34 HD1 PHE 4 HD2 PHE 4 14.522 -2.886 -0.691 35 HD2 PHE 4 HD1 PHE 4 16.753 -0.716 2.271 36 HE1 PHE 4 HE2 PHE 4 16.505 -2.891 -2.180 37 HE2 PHE 4 HE1 PHE 4 18.736 -0.721 0.781 38 HZ PHE 4 HZ PHE 4 18.612 -1.809 -1.444 39 H ARG 5 HN ARG 5 10.855 -0.927 0.678 40 HA ARG 5 HA ARG 5 9.924 -1.091 3.471 41 HB2 ARG 5 HB2 ARG 5 9.706 1.274 2.750 42 HB3 ARG 5 HB1 ARG 5 8.707 0.749 1.395 43 HG2 ARG 5 HG2 ARG 5 7.069 -0.225 2.964 44 HG3 ARG 5 HG1 ARG 5 8.073 0.274 4.324 45 HD2 ARG 5 HD2 ARG 5 7.835 2.644 3.554 46 HD3 ARG 5 HD1 ARG 5 6.712 2.088 2.315 47 HE ARG 5 HE ARG 5 6.196 2.265 5.181 48 HH11 ARG 5 HH21 ARG 5 5.269 1.025 2.084 49 HH12 ARG 5 HH22 ARG 5 3.626 0.732 2.540 50 HH21 ARG 5 HH11 ARG 5 4.040 1.882 5.784 51 HH22 ARG 5 HH12 ARG 5 2.929 1.216 4.633 52 H VAL 6 HN VAL 6 9.345 -3.238 3.268 53 HA VAL 6 HA VAL 6 7.116 -3.813 1.395 54 HB VAL 6 HB VAL 6 9.504 -5.552 2.054 55 HG11 VAL 6 HG11 VAL 6 8.277 -7.190 0.493 56 HG12 VAL 6 HG12 VAL 6 6.833 -6.227 0.808 57 HG13 VAL 6 HG13 VAL 6 7.653 -7.046 2.137 58 HG21 VAL 6 HG21 VAL 6 8.354 -4.415 -0.513 59 HG22 VAL 6 HG22 VAL 6 9.664 -5.593 -0.455 60 HG23 VAL 6 HG23 VAL 6 9.891 -3.986 0.234 61 H CYS 7 HN CYS 7 5.364 -4.691 2.320 62 HA CYS 7 HA CYS 7 5.439 -5.272 5.202 63 HB2 CYS 7 HB2 CYS 7 3.090 -5.059 3.301 64 HB3 CYS 7 HB1 CYS 7 2.998 -5.202 5.056 65 H TYR 8 HN TYR 8 5.406 -7.309 5.971 66 HA TYR 8 HA TYR 8 5.184 -9.524 4.067 67 HB2 TYR 8 HB2 TYR 8 6.998 -9.304 5.888 68 HB3 TYR 8 HB1 TYR 8 5.734 -9.775 7.023 69 HD1 TYR 8 HD2 TYR 8 4.571 -11.993 6.748 70 HD2 TYR 8 HD1 TYR 8 7.993 -10.886 4.399 71 HE1 TYR 8 HE2 TYR 8 4.904 -14.367 6.115 72 HE2 TYR 8 HE1 TYR 8 8.324 -13.260 3.764 73 HH TYR 8 HH TYR 8 6.642 -15.373 3.606 74 H ARG 9 HN ARG 9 3.661 -8.437 7.093 75 HA ARG 9 HA ARG 9 1.111 -9.486 6.297 76 HB2 ARG 9 HB2 ARG 9 0.906 -11.095 8.186 77 HB3 ARG 9 HB1 ARG 9 2.107 -11.589 6.993 78 HG2 ARG 9 HG2 ARG 9 3.878 -10.537 8.436 79 HG3 ARG 9 HG1 ARG 9 2.643 -10.251 9.660 80 HD2 ARG 9 HD2 ARG 9 3.350 -12.969 8.523 81 HD3 ARG 9 HD1 ARG 9 3.907 -12.352 10.077 82 HE ARG 9 HE ARG 9 1.238 -13.318 9.447 83 HH11 ARG 9 HH21 ARG 9 3.262 -11.442 11.535 84 HH12 ARG 9 HH22 ARG 9 2.184 -11.529 12.887 85 HH21 ARG 9 HH11 ARG 9 -0.183 -13.433 11.213 86 HH22 ARG 9 HH12 ARG 9 0.232 -12.657 12.705 87 H GLY 10 HN GLY 10 1.898 -6.947 6.953 88 HA2 GLY 10 HA2 GLY 10 0.560 -5.335 8.145 89 HA3 GLY 10 HA1 GLY 10 0.434 -6.470 9.488 90 H ILE 11 HN ILE 11 3.409 -7.069 8.965 91 HA ILE 11 HA ILE 11 4.425 -5.009 10.779 92 HB ILE 11 HB ILE 11 6.511 -6.495 10.671 93 HG12 ILE 11 HG12 ILE 11 4.556 -8.446 9.423 94 HG13 ILE 11 HG11 ILE 11 5.763 -7.569 8.483 95 HG21 ILE 11 HG21 ILE 11 4.997 -6.598 12.561 96 HG22 ILE 11 HG22 ILE 11 5.422 -8.247 12.104 97 HG23 ILE 11 HG23 ILE 11 3.855 -7.581 11.645 98 HD11 ILE 11 HD11 ILE 11 7.568 -8.618 9.611 99 HD12 ILE 11 HD12 ILE 11 6.417 -9.920 9.306 100 HD13 ILE 11 HD13 ILE 11 6.525 -9.196 10.912 101 H CYS 12 HN CYS 12 4.104 -3.414 8.949 102 HA CYS 12 HA CYS 12 5.918 -3.520 6.723 103 HB2 CYS 12 HB2 CYS 12 4.318 -1.204 7.839 104 HB3 CYS 12 HB1 CYS 12 5.136 -1.234 6.277 105 H TYR 13 HN TYR 13 7.991 -2.978 6.712 106 HA TYR 13 HA TYR 13 9.053 -1.261 8.890 107 HB2 TYR 13 HB2 TYR 13 10.334 -3.566 7.413 108 HB3 TYR 13 HB1 TYR 13 11.235 -2.437 8.424 109 HD1 TYR 13 HD2 TYR 13 10.158 -2.001 10.821 110 HD2 TYR 13 HD1 TYR 13 9.491 -5.506 8.428 111 HE1 TYR 13 HE2 TYR 13 9.493 -3.260 12.851 112 HE2 TYR 13 HE1 TYR 13 8.828 -6.765 10.461 113 HH TYR 13 HH TYR 13 8.065 -6.420 12.665 114 H ARG 14 HN ARG 14 10.698 0.210 8.339 115 HA ARG 14 HA ARG 14 10.945 0.838 5.453 116 HB2 ARG 14 HB2 ARG 14 10.863 3.224 6.041 117 HB3 ARG 14 HB1 ARG 14 9.377 2.408 6.526 118 HG2 ARG 14 HG2 ARG 14 10.290 2.182 8.834 119 HG3 ARG 14 HG1 ARG 14 11.716 3.091 8.334 120 HD2 ARG 14 HD2 ARG 14 10.180 4.629 9.390 121 HD3 ARG 14 HD1 ARG 14 10.211 4.978 7.664 122 HE ARG 14 HE ARG 14 8.135 3.132 8.205 123 HH11 ARG 14 HH21 ARG 14 9.059 6.426 8.725 124 HH12 ARG 14 HH22 ARG 14 7.433 7.019 8.769 125 HH21 ARG 14 HH11 ARG 14 6.001 3.901 8.261 126 HH22 ARG 14 HH12 ARG 14 5.702 5.589 8.506 127 H ARG 15 HN ARG 15 12.954 1.325 4.754 128 HA ARG 15 HA ARG 15 15.080 1.936 6.683 129 HB2 ARG 15 HB2 ARG 15 15.039 -0.543 6.516 130 HB3 ARG 15 HB1 ARG 15 15.275 -0.407 4.773 131 HG2 ARG 15 HG2 ARG 15 17.409 0.760 5.132 132 HG3 ARG 15 HG1 ARG 15 17.170 0.679 6.878 133 HD2 ARG 15 HD2 ARG 15 17.093 -1.821 6.686 134 HD3 ARG 15 HD1 ARG 15 17.511 -1.660 4.982 135 HE ARG 15 HE ARG 15 19.406 -0.242 6.518 136 HH11 ARG 15 HH21 ARG 15 18.310 -3.457 5.863 137 HH12 ARG 15 HH22 ARG 15 19.849 -4.192 6.162 138 HH21 ARG 15 HH11 ARG 15 21.428 -1.197 6.912 139 HH22 ARG 15 HH12 ARG 15 21.616 -2.911 6.756 140 H CYS 16 HN CYS 16 15.094 3.972 5.652 141 HA CYS 16 HA CYS 16 16.002 4.003 2.831 142 HB2 CYS 16 HB2 CYS 16 15.108 6.417 4.396 143 HB3 CYS 16 HB1 CYS 16 15.119 6.166 2.650 144 H ARG 17 HN ARG 17 17.969 4.757 2.301 145 HA ARG 17 HA ARG 17 19.778 5.537 4.498 146 HB2 ARG 17 HB2 ARG 17 20.266 4.512 1.699 147 HB3 ARG 17 HB1 ARG 17 21.553 5.136 2.732 148 HG2 ARG 17 HG2 ARG 17 21.013 3.465 4.448 149 HG3 ARG 17 HG1 ARG 17 19.691 2.854 3.454 150 HD2 ARG 17 HD2 ARG 17 21.286 2.243 1.686 151 HD3 ARG 17 HD1 ARG 17 22.615 2.874 2.655 152 HE ARG 17 HE ARG 17 21.178 0.371 3.088 153 HH11 ARG 17 HH21 ARG 17 23.315 2.801 4.316 154 HH12 ARG 17 HH22 ARG 17 24.023 1.770 5.514 155 HH21 ARG 17 HH11 ARG 17 22.101 -0.987 4.656 156 HH22 ARG 17 HH12 ARG 17 23.335 -0.375 5.707 157 HN1 NH2 18 HN1 NH2 18 17.987 6.986 1.968 158 HN2 NH2 18 HN2 NH2 18 18.867 8.434 1.872 Start of MODEL 15 1 H1 LYS 1 HT1 LYS 1 19.528 7.936 -1.437 2 H2 LYS 1 HT2 LYS 1 19.813 8.072 -3.106 3 H3 LYS 1 HT3 LYS 1 18.961 6.736 -2.492 4 HA LYS 1 HA LYS 1 17.698 9.129 -1.677 5 HB2 LYS 1 HB2 LYS 1 18.222 8.759 -4.639 6 HB3 LYS 1 HB1 LYS 1 16.948 9.791 -3.991 7 HG2 LYS 1 HG2 LYS 1 18.602 11.137 -2.790 8 HG3 LYS 1 HG1 LYS 1 19.894 10.068 -3.329 9 HD2 LYS 1 HD2 LYS 1 19.985 11.897 -4.834 10 HD3 LYS 1 HD1 LYS 1 19.146 10.631 -5.726 11 HE2 LYS 1 HE2 LYS 1 17.015 11.655 -5.368 12 HE3 LYS 1 HE1 LYS 1 17.664 12.748 -4.146 13 HZ1 LYS 1 HZ1 LYS 1 18.040 12.808 -7.068 14 HZ2 LYS 1 HZ2 LYS 1 19.171 13.550 -6.039 15 HZ3 LYS 1 HZ3 LYS 1 17.549 14.056 -6.029 16 H TRP 2 HN TRP 2 17.975 5.965 -2.632 17 HA TRP 2 HA TRP 2 15.065 5.608 -3.058 18 HB2 TRP 2 HB2 TRP 2 17.445 3.878 -3.748 19 HB3 TRP 2 HB1 TRP 2 15.779 3.305 -3.836 20 HD1 TRP 2 HD1 TRP 2 18.273 5.557 -5.557 21 HE1 TRP 2 HE1 TRP 2 17.268 6.416 -7.771 22 HE3 TRP 2 HE3 TRP 2 13.463 3.935 -5.024 23 HZ2 TRP 2 HZ2 TRP 2 14.751 6.415 -9.133 24 HZ3 TRP 2 HZ3 TRP 2 11.783 4.378 -6.792 25 HH2 TRP 2 HH2 TRP 2 12.420 5.616 -8.843 26 H CYS 3 HN CYS 3 13.882 4.552 -1.583 27 HA CYS 3 HA CYS 3 15.278 3.414 0.774 28 HB2 CYS 3 HB2 CYS 3 13.656 5.388 1.035 29 HB3 CYS 3 HB1 CYS 3 12.376 4.232 0.664 30 H PHE 4 HN PHE 4 14.200 1.554 1.805 31 HA PHE 4 HA PHE 4 12.737 -0.164 -0.124 32 HB2 PHE 4 HB2 PHE 4 15.021 -0.949 1.698 33 HB3 PHE 4 HB1 PHE 4 14.009 -2.094 0.819 34 HD1 PHE 4 HD2 PHE 4 13.858 -1.878 -1.725 35 HD2 PHE 4 HD1 PHE 4 16.848 0.119 0.626 36 HE1 PHE 4 HE2 PHE 4 15.242 -1.561 -3.756 37 HE2 PHE 4 HE1 PHE 4 18.233 0.435 -1.406 38 HZ PHE 4 HZ PHE 4 17.431 -0.404 -3.597 39 H ARG 5 HN ARG 5 11.171 -1.478 0.719 40 HA ARG 5 HA ARG 5 10.776 -1.666 3.593 41 HB2 ARG 5 HB2 ARG 5 8.499 -0.718 3.510 42 HB3 ARG 5 HB1 ARG 5 9.715 0.485 3.083 43 HG2 ARG 5 HG2 ARG 5 9.278 0.086 0.688 44 HG3 ARG 5 HG1 ARG 5 8.061 -1.119 1.108 45 HD2 ARG 5 HD2 ARG 5 6.770 0.610 2.311 46 HD3 ARG 5 HD1 ARG 5 7.976 1.814 1.864 47 HE ARG 5 HE ARG 5 7.140 0.646 -0.513 48 HH11 ARG 5 HH21 ARG 5 5.750 2.380 2.141 49 HH12 ARG 5 HH22 ARG 5 4.504 3.111 1.189 50 HH21 ARG 5 HH11 ARG 5 5.509 1.602 -1.768 51 HH22 ARG 5 HH12 ARG 5 4.366 2.672 -1.023 52 H VAL 6 HN VAL 6 9.511 -3.406 4.174 53 HA VAL 6 HA VAL 6 8.127 -4.929 2.067 54 HB VAL 6 HB VAL 6 10.418 -5.857 2.203 55 HG11 VAL 6 HG11 VAL 6 11.230 -6.851 4.251 56 HG12 VAL 6 HG12 VAL 6 9.701 -6.529 5.070 57 HG13 VAL 6 HG13 VAL 6 10.755 -5.192 4.613 58 HG21 VAL 6 HG21 VAL 6 8.407 -7.707 3.515 59 HG22 VAL 6 HG22 VAL 6 9.748 -8.160 2.465 60 HG23 VAL 6 HG23 VAL 6 8.363 -7.291 1.801 61 H CYS 7 HN CYS 7 6.327 -5.969 2.774 62 HA CYS 7 HA CYS 7 5.815 -6.062 5.691 63 HB2 CYS 7 HB2 CYS 7 4.635 -4.178 4.219 64 HB3 CYS 7 HB1 CYS 7 3.533 -5.497 3.835 65 H TYR 8 HN TYR 8 4.874 -7.887 6.432 66 HA TYR 8 HA TYR 8 4.404 -10.047 4.470 67 HB2 TYR 8 HB2 TYR 8 4.913 -10.138 7.453 68 HB3 TYR 8 HB1 TYR 8 4.651 -11.546 6.423 69 HD1 TYR 8 HD1 TYR 8 6.937 -8.745 7.194 70 HD2 TYR 8 HD2 TYR 8 6.343 -12.304 4.863 71 HE1 TYR 8 HE1 TYR 8 9.332 -8.724 6.552 72 HE2 TYR 8 HE2 TYR 8 8.740 -12.284 4.222 73 HH TYR 8 HH TYR 8 11.036 -10.795 5.741 74 H ARG 9 HN ARG 9 3.070 -9.109 7.652 75 HA ARG 9 HA ARG 9 0.345 -9.428 6.570 76 HB2 ARG 9 HB2 ARG 9 1.388 -10.762 9.081 77 HB3 ARG 9 HB1 ARG 9 -0.304 -10.717 8.582 78 HG2 ARG 9 HG2 ARG 9 0.276 -11.881 6.490 79 HG3 ARG 9 HG1 ARG 9 1.969 -11.927 6.981 80 HD2 ARG 9 HD2 ARG 9 0.951 -14.064 7.516 81 HD3 ARG 9 HD1 ARG 9 1.306 -13.210 9.014 82 HE ARG 9 HE ARG 9 -1.339 -12.612 8.189 83 HH11 ARG 9 HH21 ARG 9 0.627 -15.180 9.418 84 HH12 ARG 9 HH22 ARG 9 -0.669 -15.955 10.263 85 HH21 ARG 9 HH11 ARG 9 -3.045 -13.619 9.296 86 HH22 ARG 9 HH12 ARG 9 -2.751 -15.070 10.196 87 H GLY 10 HN GLY 10 1.113 -6.997 6.788 88 HA2 GLY 10 HA2 GLY 10 0.174 -5.057 7.733 89 HA3 GLY 10 HA1 GLY 10 -0.238 -5.972 9.180 90 H ILE 11 HN ILE 11 2.790 -6.926 8.614 91 HA ILE 11 HA ILE 11 3.951 -4.898 10.426 92 HB ILE 11 HB ILE 11 4.894 -7.675 9.658 93 HG12 ILE 11 HG12 ILE 11 3.880 -6.648 12.322 94 HG13 ILE 11 HG11 ILE 11 2.846 -7.468 11.150 95 HG21 ILE 11 HG21 ILE 11 6.494 -7.279 11.581 96 HG22 ILE 11 HG22 ILE 11 6.017 -5.582 11.538 97 HG23 ILE 11 HG23 ILE 11 6.818 -6.309 10.145 98 HD11 ILE 11 HD11 ILE 11 5.396 -8.640 12.301 99 HD12 ILE 11 HD12 ILE 11 4.253 -9.457 11.237 100 HD13 ILE 11 HD13 ILE 11 3.774 -9.023 12.877 101 H CYS 12 HN CYS 12 4.324 -3.294 8.827 102 HA CYS 12 HA CYS 12 6.261 -3.992 6.699 103 HB2 CYS 12 HB2 CYS 12 4.956 -1.298 6.828 104 HB3 CYS 12 HB1 CYS 12 5.365 -2.286 5.424 105 H TYR 13 HN TYR 13 8.244 -3.068 6.593 106 HA TYR 13 HA TYR 13 9.007 -1.154 8.733 107 HB2 TYR 13 HB2 TYR 13 10.568 -3.490 7.611 108 HB3 TYR 13 HB1 TYR 13 11.290 -2.218 8.596 109 HD1 TYR 13 HD2 TYR 13 9.903 -1.656 10.826 110 HD2 TYR 13 HD1 TYR 13 9.808 -5.406 8.726 111 HE1 TYR 13 HE2 TYR 13 9.134 -2.793 12.889 112 HE2 TYR 13 HE1 TYR 13 9.044 -6.541 10.794 113 HH TYR 13 HH TYR 13 9.316 -5.958 13.418 114 H ARG 14 HN ARG 14 10.672 0.330 8.200 115 HA ARG 14 HA ARG 14 11.105 0.744 5.289 116 HB2 ARG 14 HB2 ARG 14 10.477 2.800 7.421 117 HB3 ARG 14 HB1 ARG 14 11.031 3.197 5.795 118 HG2 ARG 14 HG2 ARG 14 9.084 2.043 4.832 119 HG3 ARG 14 HG1 ARG 14 8.535 1.605 6.451 120 HD2 ARG 14 HD2 ARG 14 8.963 4.464 5.552 121 HD3 ARG 14 HD1 ARG 14 7.404 3.645 5.478 122 HE ARG 14 HE ARG 14 8.366 3.364 8.092 123 HH11 ARG 14 HH21 ARG 14 7.435 5.857 5.880 124 HH12 ARG 14 HH22 ARG 14 6.855 6.927 7.112 125 HH21 ARG 14 HH11 ARG 14 7.602 4.762 9.716 126 HH22 ARG 14 HH12 ARG 14 6.948 6.306 9.284 127 H ARG 15 HN ARG 15 13.137 1.325 4.675 128 HA ARG 15 HA ARG 15 15.130 2.064 6.696 129 HB2 ARG 15 HB2 ARG 15 15.176 -0.419 6.601 130 HB3 ARG 15 HB1 ARG 15 15.500 -0.325 4.870 131 HG2 ARG 15 HG2 ARG 15 17.574 0.950 5.333 132 HG3 ARG 15 HG1 ARG 15 17.251 0.832 7.064 133 HD2 ARG 15 HD2 ARG 15 17.559 -1.560 5.232 134 HD3 ARG 15 HD1 ARG 15 18.866 -0.895 6.208 135 HE ARG 15 HE ARG 15 16.688 -1.387 7.910 136 HH11 ARG 15 HH21 ARG 15 18.920 -3.078 5.879 137 HH12 ARG 15 HH22 ARG 15 18.910 -4.523 6.835 138 HH21 ARG 15 HH11 ARG 15 16.671 -3.279 9.171 139 HH22 ARG 15 HH12 ARG 15 17.638 -4.636 8.699 140 H CYS 16 HN CYS 16 15.377 4.041 5.709 141 HA CYS 16 HA CYS 16 16.169 4.087 2.859 142 HB2 CYS 16 HB2 CYS 16 15.628 6.504 4.576 143 HB3 CYS 16 HB1 CYS 16 15.542 6.353 2.820 144 H ARG 17 HN ARG 17 18.162 4.775 2.227 145 HA ARG 17 HA ARG 17 20.061 5.711 4.302 146 HB2 ARG 17 HB2 ARG 17 20.581 3.557 2.234 147 HB3 ARG 17 HB1 ARG 17 21.797 4.259 3.302 148 HG2 ARG 17 HG2 ARG 17 20.574 3.465 5.269 149 HG3 ARG 17 HG1 ARG 17 19.292 2.827 4.238 150 HD2 ARG 17 HD2 ARG 17 20.767 0.998 4.847 151 HD3 ARG 17 HD1 ARG 17 20.984 1.349 3.136 152 HE ARG 17 HE ARG 17 23.138 2.156 3.600 153 HH11 ARG 17 HH21 ARG 17 21.342 1.475 6.483 154 HH12 ARG 17 HH22 ARG 17 22.715 1.597 7.530 155 HH21 ARG 17 HH11 ARG 17 24.940 2.320 4.974 156 HH22 ARG 17 HH12 ARG 17 24.750 2.076 6.679 157 HN1 NH2 18 HN1 NH2 18 18.526 6.761 1.701 158 HN2 NH2 18 HN2 NH2 18 19.767 7.584 0.884 Start of MODEL 16 1 H1 LYS 1 HT1 LYS 1 19.863 7.413 -3.200 2 H2 LYS 1 HT2 LYS 1 21.040 8.069 -2.166 3 H3 LYS 1 HT3 LYS 1 19.852 9.071 -2.849 4 HA LYS 1 HA LYS 1 19.695 7.292 -0.559 5 HB2 LYS 1 HB2 LYS 1 19.618 9.776 -0.413 6 HB3 LYS 1 HB1 LYS 1 18.153 9.766 -1.395 7 HG2 LYS 1 HG2 LYS 1 16.981 8.453 0.295 8 HG3 LYS 1 HG1 LYS 1 18.452 8.331 1.259 9 HD2 LYS 1 HD2 LYS 1 18.486 10.795 1.505 10 HD3 LYS 1 HD1 LYS 1 16.992 10.900 0.572 11 HE2 LYS 1 HE2 LYS 1 17.277 9.318 3.143 12 HE3 LYS 1 HE1 LYS 1 16.624 10.953 3.057 13 HZ1 LYS 1 HZ1 LYS 1 15.043 9.995 1.331 14 HZ2 LYS 1 HZ2 LYS 1 14.770 9.576 2.954 15 HZ3 LYS 1 HZ3 LYS 1 15.516 8.470 1.904 16 H TRP 2 HN TRP 2 18.760 5.369 -1.174 17 HA TRP 2 HA TRP 2 16.129 5.514 -2.537 18 HB2 TRP 2 HB2 TRP 2 17.909 3.089 -2.265 19 HB3 TRP 2 HB1 TRP 2 16.501 3.285 -3.306 20 HD1 TRP 2 HD1 TRP 2 20.058 4.696 -2.854 21 HE1 TRP 2 HE1 TRP 2 20.896 5.526 -5.146 22 HE3 TRP 2 HE3 TRP 2 15.851 3.957 -5.651 23 HZ2 TRP 2 HZ2 TRP 2 19.912 5.835 -7.814 24 HZ3 TRP 2 HZ3 TRP 2 15.829 4.528 -8.064 25 HH2 TRP 2 HH2 TRP 2 17.851 5.464 -9.147 26 H CYS 3 HN CYS 3 14.357 4.604 -1.599 27 HA CYS 3 HA CYS 3 14.722 3.428 1.104 28 HB2 CYS 3 HB2 CYS 3 12.506 5.227 0.101 29 HB3 CYS 3 HB1 CYS 3 12.519 4.420 1.668 30 H PHE 4 HN PHE 4 13.335 1.754 1.692 31 HA PHE 4 HA PHE 4 11.727 0.564 -0.496 32 HB2 PHE 4 HB2 PHE 4 13.636 -0.852 1.376 33 HB3 PHE 4 HB1 PHE 4 12.479 -1.669 0.324 34 HD1 PHE 4 HD2 PHE 4 12.635 -1.371 -2.170 35 HD2 PHE 4 HD1 PHE 4 15.676 0.047 0.512 36 HE1 PHE 4 HE2 PHE 4 14.222 -1.187 -4.066 37 HE2 PHE 4 HE1 PHE 4 17.264 0.230 -1.383 38 HZ PHE 4 HZ PHE 4 16.537 -0.387 -3.674 39 H ARG 5 HN ARG 5 9.931 -0.662 0.159 40 HA ARG 5 HA ARG 5 9.214 -0.638 3.009 41 HB2 ARG 5 HB2 ARG 5 6.877 0.216 2.214 42 HB3 ARG 5 HB1 ARG 5 8.173 1.384 2.465 43 HG2 ARG 5 HG2 ARG 5 8.681 1.417 0.088 44 HG3 ARG 5 HG1 ARG 5 7.511 0.136 -0.216 45 HD2 ARG 5 HD2 ARG 5 6.517 2.291 -0.778 46 HD3 ARG 5 HD1 ARG 5 5.701 1.611 0.627 47 HE ARG 5 HE ARG 5 7.853 3.314 1.420 48 HH11 ARG 5 HH21 ARG 5 4.633 3.276 0.154 49 HH12 ARG 5 HH22 ARG 5 4.206 4.818 0.815 50 HH21 ARG 5 HH11 ARG 5 7.301 5.337 2.292 51 HH22 ARG 5 HH12 ARG 5 5.716 5.986 2.026 52 H VAL 6 HN VAL 6 9.099 -2.825 3.181 53 HA VAL 6 HA VAL 6 7.119 -4.195 1.446 54 HB VAL 6 HB VAL 6 9.816 -5.192 2.373 55 HG11 VAL 6 HG11 VAL 6 7.417 -6.649 1.242 56 HG12 VAL 6 HG12 VAL 6 8.334 -7.035 2.700 57 HG13 VAL 6 HG13 VAL 6 9.052 -7.296 1.111 58 HG21 VAL 6 HG21 VAL 6 8.552 -4.909 -0.372 59 HG22 VAL 6 HG22 VAL 6 10.179 -5.505 -0.039 60 HG23 VAL 6 HG23 VAL 6 9.767 -3.825 0.304 61 H CYS 7 HN CYS 7 5.579 -5.276 2.496 62 HA CYS 7 HA CYS 7 5.659 -5.327 5.419 63 HB2 CYS 7 HB2 CYS 7 3.401 -6.314 3.685 64 HB3 CYS 7 HB1 CYS 7 3.335 -5.704 5.340 65 H TYR 8 HN TYR 8 5.998 -7.102 6.615 66 HA TYR 8 HA TYR 8 6.753 -9.557 5.285 67 HB2 TYR 8 HB2 TYR 8 7.909 -8.562 7.330 68 HB3 TYR 8 HB1 TYR 8 6.516 -9.110 8.258 69 HD1 TYR 8 HD1 TYR 8 8.895 -10.418 5.660 70 HD2 TYR 8 HD2 TYR 8 6.623 -11.239 9.213 71 HE1 TYR 8 HE1 TYR 8 9.857 -12.701 5.749 72 HE2 TYR 8 HE2 TYR 8 7.584 -13.521 9.301 73 HH TYR 8 HH TYR 8 8.616 -15.155 7.385 74 H ARG 9 HN ARG 9 4.720 -9.207 8.171 75 HA ARG 9 HA ARG 9 2.571 -10.715 6.876 76 HB2 ARG 9 HB2 ARG 9 4.026 -11.632 9.363 77 HB3 ARG 9 HB1 ARG 9 2.468 -12.270 8.837 78 HG2 ARG 9 HG2 ARG 9 3.513 -12.877 6.650 79 HG3 ARG 9 HG1 ARG 9 5.071 -12.361 7.286 80 HD2 ARG 9 HD2 ARG 9 3.338 -14.488 8.567 81 HD3 ARG 9 HD1 ARG 9 4.689 -14.829 7.490 82 HE ARG 9 HE ARG 9 5.607 -13.147 9.552 83 HH11 ARG 9 HH21 ARG 9 4.372 -16.338 9.034 84 HH12 ARG 9 HH22 ARG 9 5.240 -17.039 10.359 85 HH21 ARG 9 HH11 ARG 9 6.747 -14.057 11.291 86 HH22 ARG 9 HH12 ARG 9 6.585 -15.747 11.638 87 H GLY 10 HN GLY 10 2.156 -8.201 7.288 88 HA2 GLY 10 HA2 GLY 10 0.150 -7.240 8.295 89 HA3 GLY 10 HA1 GLY 10 0.559 -8.064 9.793 90 H ILE 11 HN ILE 11 3.471 -7.324 9.251 91 HA ILE 11 HA ILE 11 3.291 -4.569 10.331 92 HB ILE 11 HB ILE 11 5.494 -6.626 10.604 93 HG12 ILE 11 HG12 ILE 11 3.621 -5.515 12.711 94 HG13 ILE 11 HG11 ILE 11 3.323 -7.034 11.865 95 HG21 ILE 11 HG21 ILE 11 5.149 -3.804 11.645 96 HG22 ILE 11 HG22 ILE 11 6.459 -4.426 10.643 97 HG23 ILE 11 HG23 ILE 11 6.313 -4.942 12.322 98 HD11 ILE 11 HD11 ILE 11 5.522 -7.880 12.645 99 HD12 ILE 11 HD12 ILE 11 4.465 -7.466 13.995 100 HD13 ILE 11 HD13 ILE 11 5.771 -6.375 13.532 101 H CYS 12 HN CYS 12 3.924 -2.972 9.054 102 HA CYS 12 HA CYS 12 5.929 -3.544 6.945 103 HB2 CYS 12 HB2 CYS 12 3.295 -3.004 6.429 104 HB3 CYS 12 HB1 CYS 12 3.978 -1.382 6.391 105 H TYR 13 HN TYR 13 7.488 -2.020 6.619 106 HA TYR 13 HA TYR 13 7.327 0.566 7.953 107 HB2 TYR 13 HB2 TYR 13 9.507 0.211 9.112 108 HB3 TYR 13 HB1 TYR 13 8.209 -0.801 9.749 109 HD1 TYR 13 HD1 TYR 13 11.289 -0.751 7.712 110 HD2 TYR 13 HD2 TYR 13 8.189 -3.204 9.395 111 HE1 TYR 13 HE1 TYR 13 12.620 -2.782 7.207 112 HE2 TYR 13 HE2 TYR 13 9.520 -5.234 8.887 113 HH TYR 13 HH TYR 13 11.656 -5.947 8.367 114 H ARG 14 HN ARG 14 9.057 2.004 7.311 115 HA ARG 14 HA ARG 14 10.163 1.279 4.664 116 HB2 ARG 14 HB2 ARG 14 10.330 3.731 4.317 117 HB3 ARG 14 HB1 ARG 14 8.672 3.196 4.600 118 HG2 ARG 14 HG2 ARG 14 8.847 3.853 6.964 119 HG3 ARG 14 HG1 ARG 14 10.516 4.362 6.709 120 HD2 ARG 14 HD2 ARG 14 8.144 5.514 5.221 121 HD3 ARG 14 HD1 ARG 14 8.877 6.256 6.639 122 HE ARG 14 HE ARG 14 10.934 5.819 4.804 123 HH11 ARG 14 HH21 ARG 14 7.974 7.595 5.058 124 HH12 ARG 14 HH22 ARG 14 8.495 8.879 4.019 125 HH21 ARG 14 HH11 ARG 14 11.623 7.502 3.442 126 HH22 ARG 14 HH12 ARG 14 10.560 8.827 3.106 127 H ARG 15 HN ARG 15 12.315 1.497 4.239 128 HA ARG 15 HA ARG 15 14.074 2.541 6.365 129 HB2 ARG 15 HB2 ARG 15 13.910 0.084 6.667 130 HB3 ARG 15 HB1 ARG 15 14.463 -0.137 5.006 131 HG2 ARG 15 HG2 ARG 15 16.572 0.986 5.518 132 HG3 ARG 15 HG1 ARG 15 16.019 1.331 7.156 133 HD2 ARG 15 HD2 ARG 15 16.312 -1.459 6.013 134 HD3 ARG 15 HD1 ARG 15 17.526 -0.668 7.011 135 HE ARG 15 HE ARG 15 15.067 -0.577 8.376 136 HH11 ARG 15 HH21 ARG 15 17.444 -2.830 7.260 137 HH12 ARG 15 HH22 ARG 15 17.146 -3.980 8.521 138 HH21 ARG 15 HH11 ARG 15 14.672 -2.081 10.034 139 HH22 ARG 15 HH12 ARG 15 15.577 -3.556 10.090 140 H CYS 16 HN CYS 16 15.933 3.492 5.634 141 HA CYS 16 HA CYS 16 16.437 3.434 2.713 142 HB2 CYS 16 HB2 CYS 16 16.684 5.923 4.401 143 HB3 CYS 16 HB1 CYS 16 16.737 5.787 2.644 144 H ARG 17 HN ARG 17 18.581 3.637 2.092 145 HA ARG 17 HA ARG 17 20.616 3.771 4.227 146 HB2 ARG 17 HB2 ARG 17 20.397 1.604 2.123 147 HB3 ARG 17 HB1 ARG 17 21.819 1.873 3.133 148 HG2 ARG 17 HG2 ARG 17 20.507 1.481 5.153 149 HG3 ARG 17 HG1 ARG 17 19.034 1.320 4.197 150 HD2 ARG 17 HD2 ARG 17 19.861 -0.900 4.736 151 HD3 ARG 17 HD1 ARG 17 20.064 -0.618 3.010 152 HE ARG 17 HE ARG 17 22.419 0.144 4.410 153 HH11 ARG 17 HH21 ARG 17 20.568 -2.596 3.389 154 HH12 ARG 17 HH22 ARG 17 21.934 -3.655 3.289 155 HH21 ARG 17 HH11 ARG 17 24.215 -1.240 4.283 156 HH22 ARG 17 HH12 ARG 17 23.999 -2.888 3.796 157 HN1 NH2 18 HN1 NH2 18 19.538 5.060 1.375 158 HN2 NH2 18 HN2 NH2 18 21.019 5.570 0.721 Start of MODEL 17 1 H1 LYS 1 HT1 LYS 1 19.502 6.822 -4.459 2 H2 LYS 1 HT2 LYS 1 17.962 6.438 -5.064 3 H3 LYS 1 HT3 LYS 1 19.061 5.200 -4.683 4 HA LYS 1 HA LYS 1 18.992 5.905 -2.333 5 HB2 LYS 1 HB2 LYS 1 16.829 7.706 -3.456 6 HB3 LYS 1 HB1 LYS 1 17.018 7.364 -1.736 7 HG2 LYS 1 HG2 LYS 1 19.319 8.253 -1.809 8 HG3 LYS 1 HG1 LYS 1 19.132 8.597 -3.529 9 HD2 LYS 1 HD2 LYS 1 17.264 10.128 -3.022 10 HD3 LYS 1 HD1 LYS 1 17.449 9.787 -1.301 11 HE2 LYS 1 HE2 LYS 1 19.761 10.666 -1.383 12 HE3 LYS 1 HE1 LYS 1 19.557 11.029 -3.096 13 HZ1 LYS 1 HZ1 LYS 1 18.171 12.756 -2.667 14 HZ2 LYS 1 HZ2 LYS 1 19.089 12.813 -1.238 15 HZ3 LYS 1 HZ3 LYS 1 17.558 12.077 -1.239 16 H TRP 2 HN TRP 2 18.350 3.946 -1.685 17 HA TRP 2 HA TRP 2 15.744 2.900 -2.652 18 HB2 TRP 2 HB2 TRP 2 18.021 1.317 -1.451 19 HB3 TRP 2 HB1 TRP 2 16.598 0.698 -2.292 20 HD1 TRP 2 HD1 TRP 2 19.738 2.830 -2.984 21 HE1 TRP 2 HE1 TRP 2 20.367 2.556 -5.468 22 HE3 TRP 2 HE3 TRP 2 15.830 -0.050 -4.574 23 HZ2 TRP 2 HZ2 TRP 2 19.349 1.284 -7.819 24 HZ3 TRP 2 HZ3 TRP 2 15.685 -0.778 -6.937 25 HH2 TRP 2 HH2 TRP 2 17.438 -0.116 -8.561 26 H CYS 3 HN CYS 3 14.209 2.300 -1.216 27 HA CYS 3 HA CYS 3 14.839 2.572 1.674 28 HB2 CYS 3 HB2 CYS 3 12.393 3.514 0.171 29 HB3 CYS 3 HB1 CYS 3 12.489 3.412 1.928 30 H PHE 4 HN PHE 4 13.892 1.107 3.050 31 HA PHE 4 HA PHE 4 12.726 -1.270 1.744 32 HB2 PHE 4 HB2 PHE 4 13.963 -0.869 4.476 33 HB3 PHE 4 HB1 PHE 4 13.235 -2.378 3.924 34 HD1 PHE 4 HD2 PHE 4 14.212 -3.617 2.001 35 HD2 PHE 4 HD1 PHE 4 16.113 -0.144 3.664 36 HE1 PHE 4 HE2 PHE 4 16.323 -4.217 0.842 37 HE2 PHE 4 HE1 PHE 4 18.222 -0.742 2.506 38 HZ PHE 4 HZ PHE 4 18.327 -2.779 1.095 39 H ARG 5 HN ARG 5 10.686 0.031 1.518 40 HA ARG 5 HA ARG 5 9.117 0.001 4.042 41 HB2 ARG 5 HB2 ARG 5 9.362 2.240 3.014 42 HB3 ARG 5 HB1 ARG 5 8.615 1.623 1.539 43 HG2 ARG 5 HG2 ARG 5 6.578 1.043 2.810 44 HG3 ARG 5 HG1 ARG 5 7.326 1.648 4.285 45 HD2 ARG 5 HD2 ARG 5 7.573 3.878 3.144 46 HD3 ARG 5 HD1 ARG 5 6.633 3.236 1.801 47 HE ARG 5 HE ARG 5 5.625 3.984 4.424 48 HH11 ARG 5 HH21 ARG 5 5.149 2.207 1.494 49 HH12 ARG 5 HH22 ARG 5 3.425 2.146 1.649 50 HH21 ARG 5 HH11 ARG 5 3.367 3.910 4.633 51 HH22 ARG 5 HH12 ARG 5 2.416 3.110 3.427 52 H VAL 6 HN VAL 6 8.793 -2.297 3.682 53 HA VAL 6 HA VAL 6 6.473 -2.762 1.926 54 HB VAL 6 HB VAL 6 8.317 -3.506 0.558 55 HG11 VAL 6 HG11 VAL 6 9.185 -4.998 3.049 56 HG12 VAL 6 HG12 VAL 6 10.062 -3.714 2.218 57 HG13 VAL 6 HG13 VAL 6 9.863 -5.287 1.449 58 HG21 VAL 6 HG21 VAL 6 7.665 -5.788 0.221 59 HG22 VAL 6 HG22 VAL 6 6.233 -4.960 0.833 60 HG23 VAL 6 HG23 VAL 6 7.196 -5.975 1.909 61 H CYS 7 HN CYS 7 5.104 -4.414 2.623 62 HA CYS 7 HA CYS 7 5.476 -5.179 5.432 63 HB2 CYS 7 HB2 CYS 7 3.189 -4.670 3.677 64 HB3 CYS 7 HB1 CYS 7 2.994 -6.152 4.611 65 H TYR 8 HN TYR 8 6.508 -7.025 5.794 66 HA TYR 8 HA TYR 8 6.803 -9.078 3.840 67 HB2 TYR 8 HB2 TYR 8 7.343 -8.990 6.813 68 HB3 TYR 8 HB1 TYR 8 7.696 -10.401 5.814 69 HD1 TYR 8 HD1 TYR 8 8.448 -6.786 6.281 70 HD2 TYR 8 HD2 TYR 8 9.599 -10.461 4.377 71 HE1 TYR 8 HE1 TYR 8 10.578 -5.743 5.557 72 HE2 TYR 8 HE2 TYR 8 11.729 -9.418 3.651 73 HH TYR 8 HH TYR 8 12.887 -7.513 3.509 74 H ARG 9 HN ARG 9 4.807 -8.683 6.724 75 HA ARG 9 HA ARG 9 2.774 -10.434 5.661 76 HB2 ARG 9 HB2 ARG 9 2.813 -11.928 7.689 77 HB3 ARG 9 HB1 ARG 9 4.188 -12.143 6.603 78 HG2 ARG 9 HG2 ARG 9 5.548 -10.657 8.034 79 HG3 ARG 9 HG1 ARG 9 4.177 -10.456 9.125 80 HD2 ARG 9 HD2 ARG 9 4.166 -12.868 9.585 81 HD3 ARG 9 HD1 ARG 9 5.504 -13.100 8.464 82 HE ARG 9 HE ARG 9 5.655 -11.967 11.148 83 HH11 ARG 9 HH21 ARG 9 7.127 -12.441 8.052 84 HH12 ARG 9 HH22 ARG 9 8.742 -12.188 8.627 85 HH21 ARG 9 HH11 ARG 9 7.771 -11.633 11.908 86 HH22 ARG 9 HH12 ARG 9 9.105 -11.730 10.810 87 H GLY 10 HN GLY 10 2.539 -7.815 6.125 88 HA2 GLY 10 HA2 GLY 10 0.681 -6.645 7.062 89 HA3 GLY 10 HA1 GLY 10 0.730 -7.717 8.459 90 H ILE 11 HN ILE 11 3.836 -7.260 8.167 91 HA ILE 11 HA ILE 11 3.859 -4.905 9.955 92 HB ILE 11 HB ILE 11 5.968 -7.017 9.424 93 HG12 ILE 11 HG12 ILE 11 4.266 -6.543 11.890 94 HG13 ILE 11 HG11 ILE 11 3.863 -7.732 10.651 95 HG21 ILE 11 HG21 ILE 11 7.020 -5.984 11.463 96 HG22 ILE 11 HG22 ILE 11 5.832 -4.685 11.359 97 HG23 ILE 11 HG23 ILE 11 7.006 -4.914 10.064 98 HD11 ILE 11 HD11 ILE 11 6.063 -8.824 11.005 99 HD12 ILE 11 HD12 ILE 11 5.095 -8.808 12.481 100 HD13 ILE 11 HD13 ILE 11 6.419 -7.660 12.281 101 H CYS 12 HN CYS 12 3.926 -3.136 8.647 102 HA CYS 12 HA CYS 12 5.728 -3.051 6.354 103 HB2 CYS 12 HB2 CYS 12 3.677 -1.161 7.486 104 HB3 CYS 12 HB1 CYS 12 4.792 -0.659 6.215 105 H TYR 13 HN TYR 13 7.748 -2.360 6.461 106 HA TYR 13 HA TYR 13 8.658 -0.937 8.880 107 HB2 TYR 13 HB2 TYR 13 10.150 -2.356 6.663 108 HB3 TYR 13 HB1 TYR 13 10.935 -1.453 7.959 109 HD1 TYR 13 HD2 TYR 13 10.619 -2.164 10.344 110 HD2 TYR 13 HD1 TYR 13 9.219 -4.528 7.041 111 HE1 TYR 13 HE2 TYR 13 10.412 -4.131 11.840 112 HE2 TYR 13 HE1 TYR 13 9.011 -6.494 8.540 113 HH TYR 13 HH TYR 13 9.103 -7.218 10.645 114 H ARG 14 HN ARG 14 10.601 0.598 8.279 115 HA ARG 14 HA ARG 14 10.250 2.110 5.841 116 HB2 ARG 14 HB2 ARG 14 8.404 2.989 7.236 117 HB3 ARG 14 HB1 ARG 14 9.568 3.411 8.491 118 HG2 ARG 14 HG2 ARG 14 10.706 4.952 6.995 119 HG3 ARG 14 HG1 ARG 14 9.678 4.458 5.649 120 HD2 ARG 14 HD2 ARG 14 8.632 5.702 8.206 121 HD3 ARG 14 HD1 ARG 14 8.969 6.615 6.737 122 HE ARG 14 HE ARG 14 7.275 4.481 6.056 123 HH11 ARG 14 HH21 ARG 14 7.296 7.365 7.969 124 HH12 ARG 14 HH22 ARG 14 5.599 7.659 7.797 125 HH21 ARG 14 HH11 ARG 14 5.048 4.861 5.823 126 HH22 ARG 14 HH12 ARG 14 4.326 6.241 6.581 127 H ARG 15 HN ARG 15 12.407 1.929 5.420 128 HA ARG 15 HA ARG 15 14.201 3.508 7.127 129 HB2 ARG 15 HB2 ARG 15 14.414 1.165 7.911 130 HB3 ARG 15 HB1 ARG 15 14.852 0.679 6.271 131 HG2 ARG 15 HG2 ARG 15 16.811 2.135 6.320 132 HG3 ARG 15 HG1 ARG 15 16.355 2.740 7.914 133 HD2 ARG 15 HD2 ARG 15 18.069 1.025 8.164 134 HD3 ARG 15 HD1 ARG 15 16.545 0.429 8.813 135 HE ARG 15 HE ARG 15 16.436 -1.117 7.057 136 HH11 ARG 15 HH21 ARG 15 18.980 1.186 6.618 137 HH12 ARG 15 HH22 ARG 15 19.731 0.317 5.322 138 HH21 ARG 15 HH11 ARG 15 17.413 -2.263 5.355 139 HH22 ARG 15 HH12 ARG 15 18.843 -1.634 4.606 140 H CYS 16 HN CYS 16 15.627 4.668 5.975 141 HA CYS 16 HA CYS 16 16.014 3.989 3.112 142 HB2 CYS 16 HB2 CYS 16 15.510 6.715 4.321 143 HB3 CYS 16 HB1 CYS 16 16.033 6.439 2.659 144 H ARG 17 HN ARG 17 17.939 5.103 2.182 145 HA ARG 17 HA ARG 17 20.022 5.871 4.068 146 HB2 ARG 17 HB2 ARG 17 20.149 3.391 4.028 147 HB3 ARG 17 HB1 ARG 17 20.383 3.454 2.282 148 HG2 ARG 17 HG2 ARG 17 22.434 4.756 2.566 149 HG3 ARG 17 HG1 ARG 17 22.188 4.802 4.313 150 HD2 ARG 17 HD2 ARG 17 22.514 2.255 2.704 151 HD3 ARG 17 HD1 ARG 17 23.817 3.043 3.588 152 HE ARG 17 HE ARG 17 21.764 2.680 5.419 153 HH11 ARG 17 HH21 ARG 17 23.738 0.746 3.339 154 HH12 ARG 17 HH22 ARG 17 23.705 -0.644 4.371 155 HH21 ARG 17 HH11 ARG 17 21.716 0.862 6.779 156 HH22 ARG 17 HH12 ARG 17 22.560 -0.578 6.319 157 HN1 NH2 18 HN1 NH2 18 19.050 5.297 0.685 158 HN2 NH2 18 HN2 NH2 18 20.080 6.473 0.033 Start of MODEL 18 1 H1 LYS 1 HT1 LYS 1 20.817 8.195 -1.187 2 H2 LYS 1 HT2 LYS 1 19.527 8.224 -2.293 3 H3 LYS 1 HT3 LYS 1 20.275 6.751 -1.893 4 HA LYS 1 HA LYS 1 19.431 6.803 0.309 5 HB2 LYS 1 HB2 LYS 1 18.108 9.440 -0.352 6 HB3 LYS 1 HB1 LYS 1 18.281 8.674 1.225 7 HG2 LYS 1 HG2 LYS 1 20.032 10.179 1.402 8 HG3 LYS 1 HG1 LYS 1 20.899 8.874 0.607 9 HD2 LYS 1 HD2 LYS 1 21.476 10.634 -0.797 10 HD3 LYS 1 HD1 LYS 1 20.011 10.087 -1.607 11 HE2 LYS 1 HE2 LYS 1 20.420 12.498 0.145 12 HE3 LYS 1 HE1 LYS 1 19.639 12.391 -1.431 13 HZ1 LYS 1 HZ1 LYS 1 17.726 11.516 -0.521 14 HZ2 LYS 1 HZ2 LYS 1 18.195 12.631 0.671 15 HZ3 LYS 1 HZ3 LYS 1 18.499 10.973 0.886 16 H TRP 2 HN TRP 2 18.652 5.300 -1.628 17 HA TRP 2 HA TRP 2 15.931 5.863 -2.507 18 HB2 TRP 2 HB2 TRP 2 17.790 3.515 -2.942 19 HB3 TRP 2 HB1 TRP 2 16.159 3.617 -3.609 20 HD1 TRP 2 HD1 TRP 2 19.587 5.325 -3.802 21 HE1 TRP 2 HE1 TRP 2 19.721 6.651 -6.009 22 HE3 TRP 2 HE3 TRP 2 14.799 4.734 -5.482 23 HZ2 TRP 2 HZ2 TRP 2 18.025 7.364 -8.197 24 HZ3 TRP 2 HZ3 TRP 2 14.089 5.743 -7.630 25 HH2 TRP 2 HH2 TRP 2 15.693 7.058 -8.989 26 H CYS 3 HN CYS 3 14.593 5.788 -0.739 27 HA CYS 3 HA CYS 3 14.762 3.566 1.141 28 HB2 CYS 3 HB2 CYS 3 12.840 5.901 0.976 29 HB3 CYS 3 HB1 CYS 3 12.917 4.732 2.294 30 H PHE 4 HN PHE 4 13.287 1.925 1.341 31 HA PHE 4 HA PHE 4 11.059 1.794 -0.610 32 HB2 PHE 4 HB2 PHE 4 13.029 -0.423 0.013 33 HB3 PHE 4 HB1 PHE 4 11.585 -0.591 -0.984 34 HD1 PHE 4 HD2 PHE 4 11.365 0.781 -3.094 35 HD2 PHE 4 HD1 PHE 4 15.030 0.534 -0.865 36 HE1 PHE 4 HE2 PHE 4 12.619 1.622 -5.062 37 HE2 PHE 4 HE1 PHE 4 16.283 1.376 -2.833 38 HZ PHE 4 HZ PHE 4 15.078 1.921 -4.931 39 H ARG 5 HN ARG 5 9.321 0.414 0.016 40 HA ARG 5 HA ARG 5 9.211 -0.152 2.931 41 HB2 ARG 5 HB2 ARG 5 6.789 0.305 2.778 42 HB3 ARG 5 HB1 ARG 5 7.747 1.712 2.326 43 HG2 ARG 5 HG2 ARG 5 7.461 1.119 -0.069 44 HG3 ARG 5 HG1 ARG 5 6.451 -0.246 0.407 45 HD2 ARG 5 HD2 ARG 5 5.848 2.624 1.149 46 HD3 ARG 5 HD1 ARG 5 5.153 1.806 -0.247 47 HE ARG 5 HE ARG 5 4.698 0.219 2.038 48 HH11 ARG 5 HH21 ARG 5 3.819 3.260 0.643 49 HH12 ARG 5 HH22 ARG 5 2.260 3.312 1.397 50 HH21 ARG 5 HH11 ARG 5 2.657 0.281 3.032 51 HH22 ARG 5 HH12 ARG 5 1.602 1.625 2.750 52 H VAL 6 HN VAL 6 8.614 -2.144 3.555 53 HA VAL 6 HA VAL 6 7.348 -3.981 1.641 54 HB VAL 6 HB VAL 6 9.687 -4.419 1.274 55 HG11 VAL 6 HG11 VAL 6 9.897 -4.670 4.289 56 HG12 VAL 6 HG12 VAL 6 10.547 -3.348 3.319 57 HG13 VAL 6 HG13 VAL 6 11.200 -4.977 3.142 58 HG21 VAL 6 HG21 VAL 6 8.035 -6.355 1.667 59 HG22 VAL 6 HG22 VAL 6 8.790 -6.526 3.251 60 HG23 VAL 6 HG23 VAL 6 9.751 -6.742 1.788 61 H CYS 7 HN CYS 7 6.149 -5.605 2.601 62 HA CYS 7 HA CYS 7 5.779 -5.369 5.538 63 HB2 CYS 7 HB2 CYS 7 3.815 -6.515 3.549 64 HB3 CYS 7 HB1 CYS 7 3.511 -6.011 5.213 65 H TYR 8 HN TYR 8 6.158 -7.096 6.795 66 HA TYR 8 HA TYR 8 6.924 -9.638 5.488 67 HB2 TYR 8 HB2 TYR 8 7.527 -8.546 8.245 68 HB3 TYR 8 HB1 TYR 8 8.050 -10.119 7.646 69 HD1 TYR 8 HD2 TYR 8 9.639 -10.273 5.738 70 HD2 TYR 8 HD1 TYR 8 8.578 -6.509 7.514 71 HE1 TYR 8 HE2 TYR 8 11.586 -9.203 4.636 72 HE2 TYR 8 HE1 TYR 8 10.525 -5.440 6.413 73 HH TYR 8 HH TYR 8 12.997 -7.277 4.867 74 H ARG 9 HN ARG 9 5.902 -9.138 8.820 75 HA ARG 9 HA ARG 9 3.948 -11.311 8.537 76 HB2 ARG 9 HB2 ARG 9 5.060 -9.893 10.973 77 HB3 ARG 9 HB1 ARG 9 3.892 -11.214 11.025 78 HG2 ARG 9 HG2 ARG 9 5.496 -12.682 9.854 79 HG3 ARG 9 HG1 ARG 9 6.667 -11.365 9.812 80 HD2 ARG 9 HD2 ARG 9 5.482 -12.509 12.354 81 HD3 ARG 9 HD1 ARG 9 7.051 -12.968 11.699 82 HE ARG 9 HE ARG 9 6.387 -10.471 13.034 83 HH11 ARG 9 HH21 ARG 9 8.538 -12.203 10.946 84 HH12 ARG 9 HH22 ARG 9 9.888 -11.161 11.246 85 HH21 ARG 9 HH11 ARG 9 8.155 -9.100 13.432 86 HH22 ARG 9 HH12 ARG 9 9.672 -9.405 12.651 87 H GLY 10 HN GLY 10 3.263 -8.892 7.287 88 HA2 GLY 10 HA2 GLY 10 1.204 -7.796 7.051 89 HA3 GLY 10 HA1 GLY 10 0.775 -8.280 8.690 90 H ILE 11 HN ILE 11 3.871 -7.145 8.776 91 HA ILE 11 HA ILE 11 3.003 -4.472 9.709 92 HB ILE 11 HB ILE 11 5.533 -6.039 10.283 93 HG12 ILE 11 HG12 ILE 11 3.240 -5.344 12.138 94 HG13 ILE 11 HG11 ILE 11 3.358 -6.888 11.292 95 HG21 ILE 11 HG21 ILE 11 5.728 -4.216 12.083 96 HG22 ILE 11 HG22 ILE 11 4.518 -3.328 11.156 97 HG23 ILE 11 HG23 ILE 11 6.073 -3.725 10.425 98 HD11 ILE 11 HD11 ILE 11 5.593 -5.818 13.025 99 HD12 ILE 11 HD12 ILE 11 5.389 -7.457 12.413 100 HD13 ILE 11 HD13 ILE 11 4.308 -6.844 13.664 101 H CYS 12 HN CYS 12 3.290 -2.912 8.261 102 HA CYS 12 HA CYS 12 5.455 -3.135 6.262 103 HB2 CYS 12 HB2 CYS 12 3.127 -1.201 6.350 104 HB3 CYS 12 HB1 CYS 12 4.225 -1.483 4.998 105 H TYR 13 HN TYR 13 7.178 -1.810 6.315 106 HA TYR 13 HA TYR 13 7.066 0.705 7.827 107 HB2 TYR 13 HB2 TYR 13 7.820 -1.088 9.411 108 HB3 TYR 13 HB1 TYR 13 9.201 -1.375 8.354 109 HD1 TYR 13 HD1 TYR 13 7.481 1.246 10.374 110 HD2 TYR 13 HD2 TYR 13 11.120 0.024 8.445 111 HE1 TYR 13 HE1 TYR 13 8.679 3.137 11.438 112 HE2 TYR 13 HE2 TYR 13 12.318 1.917 9.511 113 HH TYR 13 HH TYR 13 10.672 4.068 11.816 114 H ARG 14 HN ARG 14 8.728 2.172 7.280 115 HA ARG 14 HA ARG 14 9.756 1.802 4.576 116 HB2 ARG 14 HB2 ARG 14 9.805 4.151 6.485 117 HB3 ARG 14 HB1 ARG 14 10.480 4.183 4.856 118 HG2 ARG 14 HG2 ARG 14 8.283 3.643 3.907 119 HG3 ARG 14 HG1 ARG 14 7.593 3.541 5.529 120 HD2 ARG 14 HD2 ARG 14 8.174 5.912 5.918 121 HD3 ARG 14 HD1 ARG 14 8.839 6.012 4.291 122 HE ARG 14 HE ARG 14 6.225 5.098 4.017 123 HH11 ARG 14 HH21 ARG 14 7.904 7.852 5.268 124 HH12 ARG 14 HH22 ARG 14 6.620 8.963 4.925 125 HH21 ARG 14 HH11 ARG 14 4.536 6.550 3.565 126 HH22 ARG 14 HH12 ARG 14 4.712 8.226 3.962 127 H ARG 15 HN ARG 15 11.879 1.602 4.018 128 HA ARG 15 HA ARG 15 13.900 1.563 6.196 129 HB2 ARG 15 HB2 ARG 15 13.530 -0.425 3.944 130 HB3 ARG 15 HB1 ARG 15 14.970 -0.340 4.957 131 HG2 ARG 15 HG2 ARG 15 13.597 -0.725 6.964 132 HG3 ARG 15 HG1 ARG 15 12.145 -0.788 5.965 133 HD2 ARG 15 HD2 ARG 15 13.062 -2.727 4.749 134 HD3 ARG 15 HD1 ARG 15 14.513 -2.666 5.745 135 HE ARG 15 HE ARG 15 12.102 -2.877 7.308 136 HH11 ARG 15 HH21 ARG 15 14.455 -4.580 5.427 137 HH12 ARG 15 HH22 ARG 15 14.220 -6.088 6.246 138 HH21 ARG 15 HH11 ARG 15 11.791 -4.851 8.388 139 HH22 ARG 15 HH12 ARG 15 12.712 -6.240 7.924 140 H CYS 16 HN CYS 16 15.838 2.477 5.721 141 HA CYS 16 HA CYS 16 16.290 3.452 2.954 142 HB2 CYS 16 HB2 CYS 16 16.752 4.980 5.528 143 HB3 CYS 16 HB1 CYS 16 17.204 5.533 3.914 144 H ARG 17 HN ARG 17 18.425 3.531 2.275 145 HA ARG 17 HA ARG 17 20.616 2.945 4.043 146 HB2 ARG 17 HB2 ARG 17 19.641 0.684 3.770 147 HB3 ARG 17 HB1 ARG 17 19.829 0.835 2.022 148 HG2 ARG 17 HG2 ARG 17 22.250 1.052 2.262 149 HG3 ARG 17 HG1 ARG 17 22.105 1.025 4.018 150 HD2 ARG 17 HD2 ARG 17 21.199 -1.230 2.211 151 HD3 ARG 17 HD1 ARG 17 22.761 -1.187 3.024 152 HE ARG 17 HE ARG 17 20.748 -0.784 4.952 153 HH11 ARG 17 HH21 ARG 17 21.953 -3.195 2.780 154 HH12 ARG 17 HH22 ARG 17 21.457 -4.530 3.767 155 HH21 ARG 17 HH11 ARG 17 20.095 -2.529 6.250 156 HH22 ARG 17 HH12 ARG 17 20.405 -4.151 5.732 157 HN1 NH2 18 HN1 NH2 18 20.130 2.166 0.566 158 HN2 NH2 18 HN2 NH2 18 21.278 3.286 0.017 Start of MODEL 19 1 H1 LYS 1 HT1 LYS 1 20.466 4.992 -4.579 2 H2 LYS 1 HT2 LYS 1 19.655 6.297 -5.300 3 H3 LYS 1 HT3 LYS 1 18.780 4.953 -4.744 4 HA LYS 1 HA LYS 1 19.882 5.574 -2.472 5 HB2 LYS 1 HB2 LYS 1 21.218 7.404 -3.511 6 HB3 LYS 1 HB1 LYS 1 19.716 8.219 -3.948 7 HG2 LYS 1 HG2 LYS 1 19.082 8.360 -1.576 8 HG3 LYS 1 HG1 LYS 1 20.559 7.511 -1.121 9 HD2 LYS 1 HD2 LYS 1 21.913 9.325 -2.088 10 HD3 LYS 1 HD1 LYS 1 20.442 10.177 -2.561 11 HE2 LYS 1 HE2 LYS 1 21.289 11.101 -0.457 12 HE3 LYS 1 HE1 LYS 1 19.758 10.272 -0.172 13 HZ1 LYS 1 HZ1 LYS 1 20.833 8.458 0.779 14 HZ2 LYS 1 HZ2 LYS 1 21.668 9.794 1.413 15 HZ3 LYS 1 HZ3 LYS 1 22.347 8.887 0.149 16 H TRP 2 HN TRP 2 17.825 4.584 -2.167 17 HA TRP 2 HA TRP 2 15.674 6.516 -1.766 18 HB2 TRP 2 HB2 TRP 2 15.359 5.688 -4.096 19 HB3 TRP 2 HB1 TRP 2 15.238 4.047 -3.462 20 HD1 TRP 2 HD1 TRP 2 13.620 7.435 -2.486 21 HE1 TRP 2 HE1 TRP 2 11.099 7.034 -2.123 22 HE3 TRP 2 HE3 TRP 2 13.363 2.438 -3.510 23 HZ2 TRP 2 HZ2 TRP 2 9.221 4.881 -2.250 24 HZ3 TRP 2 HZ3 TRP 2 11.198 1.239 -3.382 25 HH2 TRP 2 HH2 TRP 2 9.128 2.451 -2.755 26 H CYS 3 HN CYS 3 13.915 5.630 -0.479 27 HA CYS 3 HA CYS 3 14.919 3.759 1.505 28 HB2 CYS 3 HB2 CYS 3 12.323 5.309 1.331 29 HB3 CYS 3 HB1 CYS 3 12.804 4.305 2.698 30 H PHE 4 HN PHE 4 13.445 2.014 2.315 31 HA PHE 4 HA PHE 4 11.943 0.725 0.098 32 HB2 PHE 4 HB2 PHE 4 13.814 -0.591 2.083 33 HB3 PHE 4 HB1 PHE 4 12.805 -1.445 0.915 34 HD1 PHE 4 HD2 PHE 4 13.239 -1.255 -1.509 35 HD2 PHE 4 HD1 PHE 4 15.787 0.627 1.391 36 HE1 PHE 4 HE2 PHE 4 14.978 -0.929 -3.249 37 HE2 PHE 4 HE1 PHE 4 17.526 0.954 -0.346 38 HZ PHE 4 HZ PHE 4 17.121 0.176 -2.666 39 H ARG 5 HN ARG 5 10.221 -0.624 0.720 40 HA ARG 5 HA ARG 5 9.434 -0.786 3.509 41 HB2 ARG 5 HB2 ARG 5 7.135 0.261 2.847 42 HB3 ARG 5 HB1 ARG 5 8.482 1.335 3.218 43 HG2 ARG 5 HG2 ARG 5 8.981 1.581 0.828 44 HG3 ARG 5 HG1 ARG 5 7.680 0.460 0.424 45 HD2 ARG 5 HD2 ARG 5 7.278 3.052 1.934 46 HD3 ARG 5 HD1 ARG 5 7.034 2.872 0.200 47 HE ARG 5 HE ARG 5 5.514 0.887 1.450 48 HH11 ARG 5 HH21 ARG 5 5.747 4.335 1.321 49 HH12 ARG 5 HH22 ARG 5 4.056 4.599 1.590 50 HH21 ARG 5 HH11 ARG 5 3.293 1.223 1.802 51 HH22 ARG 5 HH12 ARG 5 2.667 2.836 1.864 52 H VAL 6 HN VAL 6 9.249 -2.975 3.390 53 HA VAL 6 HA VAL 6 7.295 -4.081 1.440 54 HB VAL 6 HB VAL 6 9.849 -5.295 2.517 55 HG11 VAL 6 HG11 VAL 6 9.115 -7.241 0.993 56 HG12 VAL 6 HG12 VAL 6 7.501 -6.531 1.065 57 HG13 VAL 6 HG13 VAL 6 8.288 -7.089 2.542 58 HG21 VAL 6 HG21 VAL 6 10.146 -3.799 0.605 59 HG22 VAL 6 HG22 VAL 6 8.858 -4.627 -0.273 60 HG23 VAL 6 HG23 VAL 6 10.366 -5.469 0.085 61 H CYS 7 HN CYS 7 5.635 -5.162 2.269 62 HA CYS 7 HA CYS 7 5.418 -5.419 5.175 63 HB2 CYS 7 HB2 CYS 7 3.361 -6.130 3.083 64 HB3 CYS 7 HB1 CYS 7 3.091 -5.797 4.793 65 H TYR 8 HN TYR 8 5.097 -7.358 6.250 66 HA TYR 8 HA TYR 8 5.508 -9.846 4.679 67 HB2 TYR 8 HB2 TYR 8 6.800 -9.054 7.298 68 HB3 TYR 8 HB1 TYR 8 6.865 -10.675 6.607 69 HD1 TYR 8 HD2 TYR 8 8.036 -11.088 4.463 70 HD2 TYR 8 HD1 TYR 8 8.090 -7.235 6.362 71 HE1 TYR 8 HE2 TYR 8 9.937 -10.405 3.023 72 HE2 TYR 8 HE1 TYR 8 9.990 -6.551 4.923 73 HH TYR 8 HH TYR 8 10.895 -8.216 2.164 74 H ARG 9 HN ARG 9 5.201 -9.440 8.157 75 HA ARG 9 HA ARG 9 2.981 -11.307 8.215 76 HB2 ARG 9 HB2 ARG 9 4.220 -9.780 10.518 77 HB3 ARG 9 HB1 ARG 9 3.235 -11.237 10.615 78 HG2 ARG 9 HG2 ARG 9 5.875 -11.159 9.131 79 HG3 ARG 9 HG1 ARG 9 5.756 -11.581 10.835 80 HD2 ARG 9 HD2 ARG 9 4.416 -13.030 8.533 81 HD3 ARG 9 HD1 ARG 9 5.756 -13.616 9.503 82 HE ARG 9 HE ARG 9 2.958 -13.536 10.292 83 HH11 ARG 9 HH21 ARG 9 6.278 -13.755 11.229 84 HH12 ARG 9 HH22 ARG 9 5.946 -14.514 12.751 85 HH21 ARG 9 HH11 ARG 9 2.508 -14.526 12.289 86 HH22 ARG 9 HH12 ARG 9 3.809 -14.949 13.352 87 H GLY 10 HN GLY 10 2.783 -8.514 7.071 88 HA2 GLY 10 HA2 GLY 10 0.692 -7.369 6.811 89 HA3 GLY 10 HA1 GLY 10 0.296 -7.759 8.482 90 H ILE 11 HN ILE 11 3.307 -6.994 8.965 91 HA ILE 11 HA ILE 11 2.761 -4.107 9.345 92 HB ILE 11 HB ILE 11 4.802 -5.894 10.695 93 HG12 ILE 11 HG12 ILE 11 2.281 -4.671 11.847 94 HG13 ILE 11 HG11 ILE 11 2.341 -6.316 11.215 95 HG21 ILE 11 HG21 ILE 11 3.964 -3.013 11.141 96 HG22 ILE 11 HG22 ILE 11 5.549 -3.579 10.613 97 HG23 ILE 11 HG23 ILE 11 4.985 -3.929 12.246 98 HD11 ILE 11 HD11 ILE 11 4.103 -6.897 12.811 99 HD12 ILE 11 HD12 ILE 11 2.708 -6.251 13.673 100 HD13 ILE 11 HD13 ILE 11 4.130 -5.240 13.415 101 H CYS 12 HN CYS 12 3.727 -2.758 7.998 102 HA CYS 12 HA CYS 12 6.099 -3.647 6.486 103 HB2 CYS 12 HB2 CYS 12 4.668 -1.067 5.931 104 HB3 CYS 12 HB1 CYS 12 5.460 -2.175 4.810 105 H TYR 13 HN TYR 13 8.047 -2.770 6.774 106 HA TYR 13 HA TYR 13 8.303 -0.507 8.686 107 HB2 TYR 13 HB2 TYR 13 10.251 -2.741 8.070 108 HB3 TYR 13 HB1 TYR 13 10.542 -1.408 9.187 109 HD1 TYR 13 HD2 TYR 13 9.083 -1.150 11.226 110 HD2 TYR 13 HD1 TYR 13 8.931 -4.625 8.705 111 HE1 TYR 13 HE2 TYR 13 7.927 -2.406 13.025 112 HE2 TYR 13 HE1 TYR 13 7.775 -5.880 10.505 113 HH TYR 13 HH TYR 13 6.316 -5.276 12.520 114 H ARG 14 HN ARG 14 9.520 1.219 8.131 115 HA ARG 14 HA ARG 14 10.301 1.451 5.313 116 HB2 ARG 14 HB2 ARG 14 10.577 3.869 5.889 117 HB3 ARG 14 HB1 ARG 14 8.949 3.259 6.183 118 HG2 ARG 14 HG2 ARG 14 9.502 2.955 8.577 119 HG3 ARG 14 HG1 ARG 14 11.116 3.596 8.280 120 HD2 ARG 14 HD2 ARG 14 8.574 5.120 7.685 121 HD3 ARG 14 HD1 ARG 14 9.485 5.288 9.182 122 HE ARG 14 HE ARG 14 11.246 5.673 7.014 123 HH11 ARG 14 HH21 ARG 14 8.508 7.112 8.564 124 HH12 ARG 14 HH22 ARG 14 8.936 8.733 8.121 125 HH21 ARG 14 HH11 ARG 14 11.814 7.792 6.430 126 HH22 ARG 14 HH12 ARG 14 10.807 9.117 6.912 127 H ARG 15 HN ARG 15 12.357 1.577 4.627 128 HA ARG 15 HA ARG 15 14.528 1.795 6.639 129 HB2 ARG 15 HB2 ARG 15 14.507 -0.076 4.259 130 HB3 ARG 15 HB1 ARG 15 15.772 0.068 5.472 131 HG2 ARG 15 HG2 ARG 15 12.922 -0.714 6.145 132 HG3 ARG 15 HG1 ARG 15 14.178 -1.894 5.784 133 HD2 ARG 15 HD2 ARG 15 14.133 0.085 8.079 134 HD3 ARG 15 HD1 ARG 15 14.079 -1.666 8.173 135 HE ARG 15 HE ARG 15 16.435 -1.014 6.836 136 HH11 ARG 15 HH21 ARG 15 14.939 -0.499 9.917 137 HH12 ARG 15 HH22 ARG 15 16.437 -0.437 10.784 138 HH21 ARG 15 HH11 ARG 15 18.395 -0.935 7.964 139 HH22 ARG 15 HH12 ARG 15 18.396 -0.685 9.677 140 H CYS 16 HN CYS 16 16.071 3.202 6.134 141 HA CYS 16 HA CYS 16 16.289 4.169 3.340 142 HB2 CYS 16 HB2 CYS 16 16.300 5.863 5.849 143 HB3 CYS 16 HB1 CYS 16 16.606 6.450 4.213 144 H ARG 17 HN ARG 17 18.345 4.895 2.718 145 HA ARG 17 HA ARG 17 20.574 4.592 4.594 146 HB2 ARG 17 HB2 ARG 17 20.203 2.330 3.601 147 HB3 ARG 17 HB1 ARG 17 20.450 3.030 2.002 148 HG2 ARG 17 HG2 ARG 17 22.714 3.791 2.718 149 HG3 ARG 17 HG1 ARG 17 22.463 2.994 4.270 150 HD2 ARG 17 HD2 ARG 17 22.373 1.604 1.581 151 HD3 ARG 17 HD1 ARG 17 23.756 1.589 2.672 152 HE ARG 17 HE ARG 17 21.268 0.113 2.996 153 HH11 ARG 17 HH21 ARG 17 24.147 1.374 4.445 154 HH12 ARG 17 HH22 ARG 17 24.141 0.249 5.763 155 HH21 ARG 17 HH11 ARG 17 21.255 -1.364 4.719 156 HH22 ARG 17 HH12 ARG 17 22.504 -1.299 5.917 157 HN1 NH2 18 HN1 NH2 18 19.389 5.570 1.388 158 HN2 NH2 18 HN2 NH2 18 20.623 6.700 1.104 Start of MODEL 20 1 H1 LYS 1 HT1 LYS 1 20.516 5.815 -2.719 2 H2 LYS 1 HT2 LYS 1 19.650 5.222 -1.382 3 H3 LYS 1 HT3 LYS 1 20.947 6.295 -1.151 4 HA LYS 1 HA LYS 1 19.161 7.707 -0.920 5 HB2 LYS 1 HB2 LYS 1 19.637 7.686 -3.917 6 HB3 LYS 1 HB1 LYS 1 19.072 9.047 -2.952 7 HG2 LYS 1 HG2 LYS 1 21.770 7.700 -2.613 8 HG3 LYS 1 HG1 LYS 1 21.504 9.200 -3.499 9 HD2 LYS 1 HD2 LYS 1 20.452 10.104 -1.331 10 HD3 LYS 1 HD1 LYS 1 21.167 8.700 -0.536 11 HE2 LYS 1 HE2 LYS 1 23.392 9.354 -1.296 12 HE3 LYS 1 HE1 LYS 1 22.713 10.727 -2.169 13 HZ1 LYS 1 HZ1 LYS 1 22.121 11.783 -0.197 14 HZ2 LYS 1 HZ2 LYS 1 23.660 11.145 0.140 15 HZ3 LYS 1 HZ3 LYS 1 22.265 10.372 0.730 16 H TRP 2 HN TRP 2 18.071 5.117 -0.997 17 HA TRP 2 HA TRP 2 15.449 5.706 -2.179 18 HB2 TRP 2 HB2 TRP 2 16.752 4.367 -3.860 19 HB3 TRP 2 HB1 TRP 2 16.842 3.068 -2.671 20 HD1 TRP 2 HD1 TRP 2 14.652 1.732 -2.124 21 HE1 TRP 2 HE1 TRP 2 12.354 1.581 -3.285 22 HE3 TRP 2 HE3 TRP 2 14.973 5.760 -5.246 23 HZ2 TRP 2 HZ2 TRP 2 10.851 2.983 -5.273 24 HZ3 TRP 2 HZ3 TRP 2 13.097 6.329 -6.761 25 HH2 TRP 2 HH2 TRP 2 11.038 4.948 -6.779 26 H CYS 3 HN CYS 3 13.752 4.777 -1.084 27 HA CYS 3 HA CYS 3 14.444 3.307 1.400 28 HB2 CYS 3 HB2 CYS 3 12.144 5.187 0.823 29 HB3 CYS 3 HB1 CYS 3 12.334 4.256 2.311 30 H PHE 4 HN PHE 4 13.192 1.556 2.004 31 HA PHE 4 HA PHE 4 11.462 0.423 -0.123 32 HB2 PHE 4 HB2 PHE 4 13.216 -0.947 1.931 33 HB3 PHE 4 HB1 PHE 4 12.079 -1.787 0.874 34 HD1 PHE 4 HD2 PHE 4 12.363 -1.629 -1.627 35 HD2 PHE 4 HD1 PHE 4 15.338 -0.207 1.125 36 HE1 PHE 4 HE2 PHE 4 14.047 -1.626 -3.449 37 HE2 PHE 4 HE1 PHE 4 17.021 -0.205 -0.696 38 HZ PHE 4 HZ PHE 4 16.376 -0.914 -2.983 39 H ARG 5 HN ARG 5 9.496 -0.434 0.441 40 HA ARG 5 HA ARG 5 8.681 -0.402 3.269 41 HB2 ARG 5 HB2 ARG 5 8.076 1.809 2.335 42 HB3 ARG 5 HB1 ARG 5 7.154 1.009 1.067 43 HG2 ARG 5 HG2 ARG 5 5.717 -0.047 2.790 44 HG3 ARG 5 HG1 ARG 5 6.628 0.797 4.045 45 HD2 ARG 5 HD2 ARG 5 5.158 2.176 1.786 46 HD3 ARG 5 HD1 ARG 5 4.494 1.943 3.401 47 HE ARG 5 HE ARG 5 6.966 3.181 3.732 48 HH11 ARG 5 HH21 ARG 5 3.930 3.776 2.192 49 HH12 ARG 5 HH22 ARG 5 4.011 5.496 2.380 50 HH21 ARG 5 HH11 ARG 5 7.086 5.437 3.985 51 HH22 ARG 5 HH12 ARG 5 5.800 6.439 3.397 52 H VAL 6 HN VAL 6 8.541 -2.655 3.217 53 HA VAL 6 HA VAL 6 6.270 -3.730 1.644 54 HB VAL 6 HB VAL 6 9.019 -4.956 1.949 55 HG11 VAL 6 HG11 VAL 6 7.923 -6.823 0.555 56 HG12 VAL 6 HG12 VAL 6 6.379 -6.149 1.077 57 HG13 VAL 6 HG13 VAL 6 7.517 -6.776 2.270 58 HG21 VAL 6 HG21 VAL 6 9.055 -4.858 -0.464 59 HG22 VAL 6 HG22 VAL 6 8.589 -3.261 0.120 60 HG23 VAL 6 HG23 VAL 6 7.365 -4.359 -0.521 61 H CYS 7 HN CYS 7 4.923 -5.042 2.755 62 HA CYS 7 HA CYS 7 5.351 -5.326 5.624 63 HB2 CYS 7 HB2 CYS 7 3.050 -5.794 3.748 64 HB3 CYS 7 HB1 CYS 7 3.016 -6.487 5.370 65 H TYR 8 HN TYR 8 6.659 -6.946 6.238 66 HA TYR 8 HA TYR 8 6.825 -9.423 4.725 67 HB2 TYR 8 HB2 TYR 8 8.189 -8.479 7.255 68 HB3 TYR 8 HB1 TYR 8 8.497 -10.037 6.488 69 HD1 TYR 8 HD2 TYR 8 9.448 -10.131 4.177 70 HD2 TYR 8 HD1 TYR 8 9.078 -6.442 6.346 71 HE1 TYR 8 HE2 TYR 8 11.036 -9.049 2.608 72 HE2 TYR 8 HE1 TYR 8 10.665 -5.360 4.775 73 HH TYR 8 HH TYR 8 11.983 -7.137 1.982 74 H ARG 9 HN ARG 9 5.797 -8.401 7.968 75 HA ARG 9 HA ARG 9 4.369 -10.981 8.287 76 HB2 ARG 9 HB2 ARG 9 5.609 -9.144 10.344 77 HB3 ARG 9 HB1 ARG 9 4.541 -10.489 10.750 78 HG2 ARG 9 HG2 ARG 9 6.070 -12.058 9.633 79 HG3 ARG 9 HG1 ARG 9 7.130 -10.723 9.187 80 HD2 ARG 9 HD2 ARG 9 7.505 -10.213 11.567 81 HD3 ARG 9 HD1 ARG 9 6.426 -11.529 12.023 82 HE ARG 9 HE ARG 9 8.102 -13.063 11.455 83 HH11 ARG 9 HH21 ARG 9 8.903 -9.840 10.478 84 HH12 ARG 9 HH22 ARG 9 10.560 -10.210 10.132 85 HH21 ARG 9 HH11 ARG 9 10.272 -13.553 11.004 86 HH22 ARG 9 HH12 ARG 9 11.334 -12.311 10.430 87 H GLY 10 HN GLY 10 3.528 -8.361 7.030 88 HA2 GLY 10 HA2 GLY 10 1.222 -7.714 6.840 89 HA3 GLY 10 HA1 GLY 10 1.010 -8.049 8.554 90 H ILE 11 HN ILE 11 3.780 -6.649 8.855 91 HA ILE 11 HA ILE 11 2.684 -3.891 8.950 92 HB ILE 11 HB ILE 11 4.935 -5.128 10.558 93 HG12 ILE 11 HG12 ILE 11 2.178 -4.252 11.466 94 HG13 ILE 11 HG11 ILE 11 2.577 -5.923 11.070 95 HG21 ILE 11 HG21 ILE 11 4.673 -2.992 11.876 96 HG22 ILE 11 HG22 ILE 11 3.611 -2.401 10.598 97 HG23 ILE 11 HG23 ILE 11 5.303 -2.753 10.245 98 HD11 ILE 11 HD11 ILE 11 4.254 -6.006 12.808 99 HD12 ILE 11 HD12 ILE 11 2.771 -5.377 13.525 100 HD13 ILE 11 HD13 ILE 11 4.087 -4.277 13.117 101 H CYS 12 HN CYS 12 3.531 -2.446 7.619 102 HA CYS 12 HA CYS 12 5.920 -3.118 6.066 103 HB2 CYS 12 HB2 CYS 12 3.822 -0.966 5.867 104 HB3 CYS 12 HB1 CYS 12 5.296 -0.925 4.902 105 H TYR 13 HN TYR 13 7.869 -2.393 6.545 106 HA TYR 13 HA TYR 13 8.149 -0.105 8.419 107 HB2 TYR 13 HB2 TYR 13 10.037 -2.415 7.896 108 HB3 TYR 13 HB1 TYR 13 10.309 -1.100 9.037 109 HD1 TYR 13 HD2 TYR 13 8.824 -0.842 11.033 110 HD2 TYR 13 HD1 TYR 13 8.542 -4.226 8.404 111 HE1 TYR 13 HE2 TYR 13 7.521 -2.068 12.751 112 HE2 TYR 13 HE1 TYR 13 7.240 -5.452 10.120 113 HH TYR 13 HH TYR 13 6.197 -5.303 12.087 114 H ARG 14 HN ARG 14 9.383 1.594 7.819 115 HA ARG 14 HA ARG 14 10.243 1.723 5.028 116 HB2 ARG 14 HB2 ARG 14 10.168 3.801 7.234 117 HB3 ARG 14 HB1 ARG 14 10.659 4.121 5.570 118 HG2 ARG 14 HG2 ARG 14 8.463 3.433 4.750 119 HG3 ARG 14 HG1 ARG 14 7.963 3.002 6.388 120 HD2 ARG 14 HD2 ARG 14 7.084 5.208 5.841 121 HD3 ARG 14 HD1 ARG 14 8.323 5.366 7.084 122 HE ARG 14 HE ARG 14 9.508 5.653 4.523 123 HH11 ARG 14 HH21 ARG 14 7.377 7.230 6.749 124 HH12 ARG 14 HH22 ARG 14 7.798 8.828 6.232 125 HH21 ARG 14 HH11 ARG 14 10.066 7.748 3.843 126 HH22 ARG 14 HH12 ARG 14 9.320 9.121 4.587 127 H ARG 15 HN ARG 15 12.197 0.926 4.578 128 HA ARG 15 HA ARG 15 14.417 1.334 6.504 129 HB2 ARG 15 HB2 ARG 15 14.124 -0.702 4.276 130 HB3 ARG 15 HB1 ARG 15 15.501 -0.567 5.366 131 HG2 ARG 15 HG2 ARG 15 12.708 -0.931 6.457 132 HG3 ARG 15 HG1 ARG 15 13.649 -2.319 5.920 133 HD2 ARG 15 HD2 ARG 15 15.483 -1.628 7.467 134 HD3 ARG 15 HD1 ARG 15 14.464 -0.323 8.057 135 HE ARG 15 HE ARG 15 13.208 -2.915 8.233 136 HH11 ARG 15 HH21 ARG 15 15.342 -0.620 9.701 137 HH12 ARG 15 HH22 ARG 15 15.077 -1.197 11.315 138 HH21 ARG 15 HH11 ARG 15 12.853 -3.676 10.353 139 HH22 ARG 15 HH12 ARG 15 13.670 -2.924 11.683 140 H CYS 16 HN CYS 16 15.356 3.212 5.945 141 HA CYS 16 HA CYS 16 15.952 3.738 3.098 142 HB2 CYS 16 HB2 CYS 16 16.025 5.570 5.503 143 HB3 CYS 16 HB1 CYS 16 16.398 6.046 3.846 144 H ARG 17 HN ARG 17 18.011 3.985 2.373 145 HA ARG 17 HA ARG 17 20.287 4.279 4.061 146 HB2 ARG 17 HB2 ARG 17 19.727 1.912 4.572 147 HB3 ARG 17 HB1 ARG 17 19.876 1.531 2.858 148 HG2 ARG 17 HG2 ARG 17 22.224 2.264 2.882 149 HG3 ARG 17 HG1 ARG 17 22.083 2.688 4.587 150 HD2 ARG 17 HD2 ARG 17 23.115 0.493 4.407 151 HD3 ARG 17 HD1 ARG 17 21.503 0.319 5.090 152 HE ARG 17 HE ARG 17 20.810 -0.749 3.119 153 HH11 ARG 17 HH21 ARG 17 24.004 0.568 2.838 154 HH12 ARG 17 HH22 ARG 17 24.362 -0.264 1.363 155 HH21 ARG 17 HH11 ARG 17 21.278 -1.838 1.187 156 HH22 ARG 17 HH12 ARG 17 22.821 -1.625 0.429 157 HN1 NH2 18 HN1 NH2 18 21.465 5.582 2.667 158 HN2 NH2 18 HN2 NH2 18 21.694 5.280 1.012
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