NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649935 | 6nm2 | 30557 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 1HT TRP 1 -5.010 4.931 0.760 2 H2 TRP 1 2HT TRP 1 -5.341 4.050 -0.654 3 H3 TRP 1 3HT TRP 1 -3.736 4.268 -0.142 4 HA TRP 1 HA TRP 1 -5.796 2.766 1.369 5 HB2 TRP 1 2HB TRP 1 -3.459 1.756 -0.259 6 HB3 TRP 1 1HB TRP 1 -4.581 0.757 0.644 7 HD1 TRP 1 HD TRP 1 -6.652 -0.040 -0.583 8 HE1 TRP 1 1HE TRP 1 -7.780 0.538 -2.837 9 HE3 TRP 1 3HE TRP 1 -3.779 3.901 -1.972 10 HZ2 TRP 1 2HZ TRP 1 -7.469 2.451 -4.963 11 HZ3 TRP 1 3HZ TRP 1 -4.183 5.074 -4.085 12 HH2 TRP 1 HH TRP 1 -6.024 4.371 -5.600 13 H TRP 2 H TRP 2 -3.153 1.107 1.594 14 HA TRP 2 HA TRP 2 -1.428 2.633 3.275 15 HB2 TRP 2 2HB TRP 2 -1.801 1.412 5.341 16 HB3 TRP 2 1HB TRP 2 -3.282 2.222 4.858 17 HD1 TRP 2 HD TRP 2 -5.283 0.751 4.023 18 HE1 TRP 2 1HE TRP 2 -5.721 -1.795 4.132 19 HE3 TRP 2 3HE TRP 2 -0.653 -0.803 5.214 20 HZ2 TRP 2 2HZ TRP 2 -4.242 -4.207 4.689 21 HZ3 TRP 2 3HZ TRP 2 -0.148 -3.234 5.553 22 HH2 TRP 2 HH TRP 2 -1.941 -4.925 5.277 23 H TRP 3 H TRP 3 -2.596 -0.498 2.187 24 HA TRP 3 HA TRP 3 -0.053 -1.776 2.577 25 HB2 TRP 3 2HB TRP 3 -1.047 -3.600 1.187 26 HB3 TRP 3 1HB TRP 3 -2.002 -3.187 2.603 27 HD1 TRP 3 HD TRP 3 -4.060 -1.528 2.208 28 HE1 TRP 3 1HE TRP 3 -5.597 -1.299 0.154 29 HE3 TRP 3 3HE TRP 3 -1.130 -3.729 -1.233 30 HZ2 TRP 3 2HZ TRP 3 -5.558 -1.977 -2.652 31 HZ3 TRP 3 3HZ TRP 3 -1.840 -3.907 -3.579 32 HH2 TRP 3 HH TRP 3 -4.054 -3.057 -4.314 33 H LEU 4 H LEU 4 -1.590 0.150 0.171 34 HA LEU 4 HA LEU 4 -0.056 -0.692 -2.082 35 HB2 LEU 4 2HB LEU 4 -2.168 1.108 -1.599 36 HB3 LEU 4 1HB LEU 4 -0.857 2.108 -2.189 37 HG LEU 4 HG LEU 4 -0.815 1.044 -4.280 38 HD11 LEU 4 1HD1 LEU 4 -2.328 -1.152 -4.482 39 HD12 LEU 4 2HD1 LEU 4 -1.927 -1.273 -2.775 40 HD13 LEU 4 3HD1 LEU 4 -0.641 -1.249 -3.980 41 HD21 LEU 4 1HD2 LEU 4 -3.194 0.855 -4.980 42 HD22 LEU 4 2HD2 LEU 4 -2.896 2.284 -3.991 43 HD23 LEU 4 3HD2 LEU 4 -3.669 0.865 -3.283 44 H ARG 5 H ARG 5 0.236 2.115 0.116 45 HA ARG 5 HA ARG 5 2.677 2.978 -1.087 46 HB2 ARG 5 2HB ARG 5 2.828 4.226 1.224 47 HB3 ARG 5 1HB ARG 5 1.629 4.710 0.030 48 HG2 ARG 5 2HG ARG 5 -0.126 3.920 1.271 49 HG3 ARG 5 1HG ARG 5 0.788 2.539 1.869 50 HD2 ARG 5 2HD ARG 5 0.470 3.880 3.775 51 HD3 ARG 5 1HD ARG 5 2.115 4.245 3.267 52 HE ARG 5 HE ARG 5 0.611 6.134 1.987 53 HH11 ARG 5 1HH1 ARG 5 0.121 8.154 2.905 54 HH12 ARG 5 2HH1 ARG 5 0.097 8.334 4.627 55 HH21 ARG 5 1HH2 ARG 5 0.926 5.025 5.250 56 HH22 ARG 5 2HH2 ARG 5 0.552 6.562 5.955 57 H LYS 6 H LYS 6 1.905 0.756 1.535 58 HA LYS 6 HA LYS 6 4.579 0.635 2.549 59 HB2 LYS 6 2HB LYS 6 3.745 -0.790 4.113 60 HB3 LYS 6 1HB LYS 6 2.186 -0.245 3.505 61 HG2 LYS 6 2HG LYS 6 2.110 -2.164 1.959 62 HG3 LYS 6 1HG LYS 6 3.678 -2.709 2.549 63 HD2 LYS 6 2HD LYS 6 2.841 -3.250 4.669 64 HD3 LYS 6 1HD LYS 6 1.405 -2.252 4.455 65 HE2 LYS 6 2HE LYS 6 0.273 -3.904 3.351 66 HE3 LYS 6 1HE LYS 6 1.706 -4.426 2.467 67 HZ1 LYS 6 1HZ LYS 6 0.627 -5.855 4.398 68 HZ2 LYS 6 2HZ LYS 6 1.680 -4.911 5.339 69 HZ3 LYS 6 3HZ LYS 6 2.293 -5.871 4.078 70 H ILE 7 H ILE 7 2.697 -1.293 0.246 71 HA ILE 7 HA ILE 7 4.819 -3.129 -0.301 72 HB ILE 7 HB ILE 7 2.185 -3.240 -0.827 73 HG12 ILE 7 2HG1 ILE 7 3.652 -5.149 -1.141 74 HG13 ILE 7 1HG1 ILE 7 2.685 -4.941 -2.601 75 HG21 ILE 7 1HG2 ILE 7 2.537 -1.272 -2.440 76 HG22 ILE 7 2HG2 ILE 7 1.576 -2.634 -3.005 77 HG23 ILE 7 3HG2 ILE 7 3.253 -2.463 -3.511 78 HD11 ILE 7 1HD1 ILE 7 4.661 -3.549 -3.496 79 HD12 ILE 7 2HD1 ILE 7 4.869 -5.296 -3.413 80 HD13 ILE 7 3HD1 ILE 7 5.592 -4.266 -2.180 81 H TRP 8 H TRP 8 3.890 0.031 -1.276 82 HA TRP 8 HA TRP 8 6.018 0.125 -3.315 83 HB2 TRP 8 2HB TRP 8 3.638 1.964 -2.984 84 HB3 TRP 8 1HB TRP 8 4.804 2.007 -4.294 85 HD1 TRP 8 HD TRP 8 1.495 0.993 -3.885 86 HE1 TRP 8 1HE TRP 8 0.845 -1.062 -5.250 87 HE3 TRP 8 3HE TRP 8 6.137 -0.757 -5.150 88 HZ2 TRP 8 2HZ TRP 8 2.093 -3.174 -6.713 89 HZ3 TRP 8 3HZ TRP 8 6.362 -2.794 -6.533 90 HH2 TRP 8 HH TRP 8 4.345 -4.004 -7.314 91 HN1 NH2 9 1H NH2 8 6.397 0.404 -0.370 92 HN2 NH2 9 2H NH2 8 7.039 1.962 -0.146 Start of MODEL 2 1 H1 TRP 1 1HT TRP 1 -5.431 4.701 0.751 2 H2 TRP 1 2HT TRP 1 -5.654 3.727 -0.623 3 H3 TRP 1 3HT TRP 1 -4.087 4.164 -0.134 4 HA TRP 1 HA TRP 1 -5.915 2.541 1.534 5 HB2 TRP 1 2HB TRP 1 -3.622 1.566 -0.175 6 HB3 TRP 1 1HB TRP 1 -4.717 0.576 0.772 7 HD1 TRP 1 HD TRP 1 -6.720 -0.347 -0.448 8 HE1 TRP 1 1HE TRP 1 -7.918 0.171 -2.683 9 HE3 TRP 1 3HE TRP 1 -4.087 3.743 -1.884 10 HZ2 TRP 1 2HZ TRP 1 -7.746 2.101 -4.811 11 HZ3 TRP 1 3HZ TRP 1 -4.591 4.897 -3.984 12 HH2 TRP 1 HH TRP 1 -6.418 4.096 -5.469 13 H TRP 2 H TRP 2 -3.250 1.013 1.693 14 HA TRP 2 HA TRP 2 -1.474 2.745 3.133 15 HB2 TRP 2 2HB TRP 2 -1.605 1.610 5.262 16 HB3 TRP 2 1HB TRP 2 -3.190 2.244 4.854 17 HD1 TRP 2 HD TRP 2 -5.096 0.565 4.359 18 HE1 TRP 2 1HE TRP 2 -5.265 -2.011 4.547 19 HE3 TRP 2 3HE TRP 2 -0.220 -0.507 4.949 20 HZ2 TRP 2 2HZ TRP 2 -3.487 -4.254 4.928 21 HZ3 TRP 2 3HZ TRP 2 0.566 -2.857 5.234 22 HH2 TRP 2 HH TRP 2 -1.071 -4.725 5.209 23 H TRP 3 H TRP 3 -2.504 -0.524 2.304 24 HA TRP 3 HA TRP 3 0.073 -1.687 2.597 25 HB2 TRP 3 2HB TRP 3 -0.867 -3.527 1.168 26 HB3 TRP 3 1HB TRP 3 -1.767 -3.194 2.635 27 HD1 TRP 3 HD TRP 3 -3.914 -1.584 2.361 28 HE1 TRP 3 1HE TRP 3 -5.568 -1.439 0.387 29 HE3 TRP 3 3HE TRP 3 -1.083 -3.710 -1.202 30 HZ2 TRP 3 2HZ TRP 3 -5.646 -2.156 -2.412 31 HZ3 TRP 3 3HZ TRP 3 -1.906 -3.957 -3.509 32 HH2 TRP 3 HH TRP 3 -4.190 -3.204 -4.136 33 H LEU 4 H LEU 4 -1.641 -0.012 0.086 34 HA LEU 4 HA LEU 4 -0.062 -0.721 -2.137 35 HB2 LEU 4 2HB LEU 4 -2.147 1.136 -1.542 36 HB3 LEU 4 1HB LEU 4 -0.843 2.063 -2.261 37 HG LEU 4 HG LEU 4 -1.006 0.952 -4.312 38 HD11 LEU 4 1HD1 LEU 4 -2.500 -1.243 -4.359 39 HD12 LEU 4 2HD1 LEU 4 -2.034 -1.313 -2.666 40 HD13 LEU 4 3HD1 LEU 4 -0.794 -1.332 -3.920 41 HD21 LEU 4 1HD2 LEU 4 -3.409 0.787 -4.841 42 HD22 LEU 4 2HD2 LEU 4 -3.075 2.199 -3.840 43 HD23 LEU 4 3HD2 LEU 4 -3.782 0.754 -3.118 44 H ARG 5 H ARG 5 0.196 1.999 0.127 45 HA ARG 5 HA ARG 5 2.623 2.971 -0.999 46 HB2 ARG 5 2HB ARG 5 2.332 4.678 0.473 47 HB3 ARG 5 1HB ARG 5 0.746 3.966 0.711 48 HG2 ARG 5 2HG ARG 5 1.833 2.541 2.552 49 HG3 ARG 5 1HG ARG 5 3.208 3.638 2.436 50 HD2 ARG 5 2HD ARG 5 0.920 5.289 2.563 51 HD3 ARG 5 1HD ARG 5 0.669 4.030 3.770 52 HE ARG 5 HE ARG 5 3.248 4.833 4.192 53 HH11 ARG 5 1HH1 ARG 5 3.799 6.513 5.620 54 HH12 ARG 5 2HH1 ARG 5 2.640 7.750 5.980 55 HH21 ARG 5 1HH2 ARG 5 0.176 6.406 3.945 56 HH22 ARG 5 2HH2 ARG 5 0.590 7.688 5.033 57 H LYS 6 H LYS 6 1.874 0.710 1.622 58 HA LYS 6 HA LYS 6 4.559 0.569 2.593 59 HB2 LYS 6 2HB LYS 6 3.251 -0.255 4.255 60 HB3 LYS 6 1HB LYS 6 1.999 -0.777 3.144 61 HG2 LYS 6 2HG LYS 6 4.615 -2.271 3.274 62 HG3 LYS 6 1HG LYS 6 3.368 -2.569 4.480 63 HD2 LYS 6 2HD LYS 6 1.928 -2.645 2.110 64 HD3 LYS 6 1HD LYS 6 3.456 -3.376 1.649 65 HE2 LYS 6 2HE LYS 6 1.955 -4.229 4.130 66 HE3 LYS 6 1HE LYS 6 1.664 -4.962 2.556 67 HZ1 LYS 6 1HZ LYS 6 3.873 -5.310 4.352 68 HZ2 LYS 6 2HZ LYS 6 4.368 -4.964 2.763 69 HZ3 LYS 6 3HZ LYS 6 3.356 -6.293 3.070 70 H ILE 7 H ILE 7 2.700 -1.142 0.149 71 HA ILE 7 HA ILE 7 4.816 -3.055 -0.376 72 HB ILE 7 HB ILE 7 2.175 -3.195 -0.859 73 HG12 ILE 7 2HG1 ILE 7 3.657 -5.083 -1.213 74 HG13 ILE 7 1HG1 ILE 7 2.668 -4.873 -2.659 75 HG21 ILE 7 1HG2 ILE 7 2.488 -1.208 -2.463 76 HG22 ILE 7 2HG2 ILE 7 1.519 -2.568 -3.014 77 HG23 ILE 7 3HG2 ILE 7 3.184 -2.390 -3.557 78 HD11 ILE 7 1HD1 ILE 7 5.572 -4.163 -2.270 79 HD12 ILE 7 2HD1 ILE 7 4.613 -3.454 -3.570 80 HD13 ILE 7 3HD1 ILE 7 4.848 -5.197 -3.499 81 H TRP 8 H TRP 8 3.849 0.108 -1.295 82 HA TRP 8 HA TRP 8 5.942 0.247 -3.374 83 HB2 TRP 8 2HB TRP 8 3.543 2.050 -2.975 84 HB3 TRP 8 1HB TRP 8 4.685 2.128 -4.305 85 HD1 TRP 8 HD TRP 8 1.397 1.068 -3.861 86 HE1 TRP 8 1HE TRP 8 0.752 -0.980 -5.238 87 HE3 TRP 8 3HE TRP 8 6.041 -0.615 -5.212 88 HZ2 TRP 8 2HZ TRP 8 2.003 -3.063 -6.741 89 HZ3 TRP 8 3HZ TRP 8 6.268 -2.634 -6.619 90 HH2 TRP 8 HH TRP 8 4.255 -3.860 -7.384 91 HN1 NH2 9 1H NH2 8 6.378 0.488 -0.438 92 HN2 NH2 9 2H NH2 8 7.000 2.053 -0.201 Start of MODEL 3 1 H1 TRP 1 1HT TRP 1 -5.504 3.820 -0.759 2 H2 TRP 1 2HT TRP 1 -3.927 4.158 -0.224 3 H3 TRP 1 3HT TRP 1 -5.265 4.773 0.624 4 HA TRP 1 HA TRP 1 -5.911 2.618 1.347 5 HB2 TRP 1 2HB TRP 1 -3.562 1.606 -0.266 6 HB3 TRP 1 1HB TRP 1 -4.674 0.621 0.664 7 HD1 TRP 1 HD TRP 1 -6.702 -0.271 -0.568 8 HE1 TRP 1 1HE TRP 1 -7.838 0.233 -2.836 9 HE3 TRP 1 3HE TRP 1 -3.945 3.735 -2.022 10 HZ2 TRP 1 2HZ TRP 1 -7.580 2.117 -4.994 11 HZ3 TRP 1 3HZ TRP 1 -4.381 4.857 -4.156 12 HH2 TRP 1 HH TRP 1 -6.194 4.069 -5.662 13 H TRP 2 H TRP 2 -3.189 1.074 1.572 14 HA TRP 2 HA TRP 2 -1.506 2.736 3.166 15 HB2 TRP 2 2HB TRP 2 -1.799 1.594 5.285 16 HB3 TRP 2 1HB TRP 2 -3.326 2.304 4.785 17 HD1 TRP 2 HD TRP 2 -5.267 0.706 4.105 18 HE1 TRP 2 1HE TRP 2 -5.564 -1.857 4.296 19 HE3 TRP 2 3HE TRP 2 -0.518 -0.564 5.142 20 HZ2 TRP 2 2HZ TRP 2 -3.934 -4.170 4.854 21 HZ3 TRP 2 3HZ TRP 2 0.133 -2.950 5.521 22 HH2 TRP 2 HH TRP 2 -1.573 -4.745 5.364 23 H TRP 3 H TRP 3 -2.556 -0.488 2.224 24 HA TRP 3 HA TRP 3 0.010 -1.679 2.660 25 HB2 TRP 3 2HB TRP 3 -0.908 -3.539 1.244 26 HB3 TRP 3 1HB TRP 3 -1.859 -3.165 2.671 27 HD1 TRP 3 HD TRP 3 -3.980 -1.545 2.281 28 HE1 TRP 3 1HE TRP 3 -5.558 -1.423 0.249 29 HE3 TRP 3 3HE TRP 3 -1.037 -3.751 -1.139 30 HZ2 TRP 3 2HZ TRP 3 -5.541 -2.182 -2.538 31 HZ3 TRP 3 3HZ TRP 3 -1.778 -4.025 -3.470 32 HH2 TRP 3 HH TRP 3 -4.031 -3.266 -4.192 33 H LEU 4 H LEU 4 -1.646 -0.043 0.070 34 HA LEU 4 HA LEU 4 0.002 -0.756 -2.099 35 HB2 LEU 4 2HB LEU 4 -2.115 1.078 -1.596 36 HB3 LEU 4 1HB LEU 4 -0.800 2.020 -2.270 37 HG LEU 4 HG LEU 4 -0.866 0.891 -4.320 38 HD11 LEU 4 1HD1 LEU 4 -2.354 -1.312 -4.402 39 HD12 LEU 4 2HD1 LEU 4 -1.931 -1.370 -2.696 40 HD13 LEU 4 3HD1 LEU 4 -0.661 -1.388 -3.919 41 HD21 LEU 4 1HD2 LEU 4 -2.948 2.132 -3.969 42 HD22 LEU 4 2HD2 LEU 4 -3.682 0.712 -3.222 43 HD23 LEU 4 3HD2 LEU 4 -3.255 0.688 -4.933 44 H ARG 5 H ARG 5 0.206 2.038 0.114 45 HA ARG 5 HA ARG 5 2.652 2.981 -0.999 46 HB2 ARG 5 2HB ARG 5 2.649 3.900 1.630 47 HB3 ARG 5 1HB ARG 5 1.945 4.737 0.251 48 HG2 ARG 5 2HG ARG 5 -0.223 4.115 0.802 49 HG3 ARG 5 1HG ARG 5 0.292 2.645 1.622 50 HD2 ARG 5 2HD ARG 5 0.631 3.707 3.615 51 HD3 ARG 5 1HD ARG 5 1.220 5.181 2.849 52 HE ARG 5 HE ARG 5 -1.440 5.153 2.228 53 HH11 ARG 5 1HH1 ARG 5 -3.024 6.110 3.546 54 HH12 ARG 5 2HH1 ARG 5 -2.731 6.301 5.243 55 HH21 ARG 5 1HH2 ARG 5 0.425 4.869 5.129 56 HH22 ARG 5 2HH2 ARG 5 -0.779 5.599 6.139 57 H LYS 6 H LYS 6 1.881 0.736 1.633 58 HA LYS 6 HA LYS 6 4.546 0.539 2.603 59 HB2 LYS 6 2HB LYS 6 3.618 -0.785 4.178 60 HB3 LYS 6 1HB LYS 6 2.072 -0.435 3.416 61 HG2 LYS 6 2HG LYS 6 2.089 -2.456 2.186 62 HG3 LYS 6 1HG LYS 6 3.812 -2.706 2.442 63 HD2 LYS 6 2HD LYS 6 3.519 -3.619 4.509 64 HD3 LYS 6 1HD LYS 6 2.204 -2.520 4.917 65 HE2 LYS 6 2HE LYS 6 0.683 -3.820 3.442 66 HE3 LYS 6 1HE LYS 6 2.001 -4.937 3.093 67 HZ1 LYS 6 1HZ LYS 6 1.927 -5.828 5.165 68 HZ2 LYS 6 2HZ LYS 6 0.294 -5.384 5.020 69 HZ3 LYS 6 3HZ LYS 6 1.369 -4.403 5.897 70 H ILE 7 H ILE 7 2.697 -1.229 0.168 71 HA ILE 7 HA ILE 7 4.845 -3.053 -0.425 72 HB ILE 7 HB ILE 7 2.202 -3.202 -0.894 73 HG12 ILE 7 2HG1 ILE 7 3.699 -5.079 -1.272 74 HG13 ILE 7 1HG1 ILE 7 2.696 -4.864 -2.708 75 HG21 ILE 7 1HG2 ILE 7 1.538 -2.566 -3.045 76 HG22 ILE 7 2HG2 ILE 7 3.200 -2.365 -3.586 77 HG23 ILE 7 3HG2 ILE 7 2.492 -1.202 -2.480 78 HD11 ILE 7 1HD1 ILE 7 4.626 -3.421 -3.621 79 HD12 ILE 7 2HD1 ILE 7 4.871 -5.165 -3.571 80 HD13 ILE 7 3HD1 ILE 7 5.599 -4.140 -2.337 81 H TRP 8 H TRP 8 3.850 0.117 -1.300 82 HA TRP 8 HA TRP 8 5.936 0.281 -3.385 83 HB2 TRP 8 2HB TRP 8 3.539 2.081 -2.966 84 HB3 TRP 8 1HB TRP 8 4.676 2.162 -4.302 85 HD1 TRP 8 HD TRP 8 1.390 1.092 -3.821 86 HE1 TRP 8 1HE TRP 8 0.733 -0.943 -5.219 87 HE3 TRP 8 3HE TRP 8 6.020 -0.556 -5.252 88 HZ2 TRP 8 2HZ TRP 8 1.975 -3.003 -6.759 89 HZ3 TRP 8 3HZ TRP 8 6.239 -2.558 -6.685 90 HH2 TRP 8 HH TRP 8 4.222 -3.783 -7.439 91 HN1 NH2 9 1H NH2 8 6.414 0.489 -0.466 92 HN2 NH2 9 2H NH2 8 7.023 2.056 -0.213 Start of MODEL 4 1 H1 TRP 1 1HT TRP 1 -4.917 4.960 0.780 2 H2 TRP 1 2HT TRP 1 -5.373 4.108 -0.617 3 H3 TRP 1 3HT TRP 1 -3.732 4.249 -0.202 4 HA TRP 1 HA TRP 1 -5.787 2.789 1.358 5 HB2 TRP 1 2HB TRP 1 -3.449 1.780 -0.269 6 HB3 TRP 1 1HB TRP 1 -4.570 0.778 0.633 7 HD1 TRP 1 HD TRP 1 -6.657 -0.002 -0.585 8 HE1 TRP 1 1HE TRP 1 -7.780 0.579 -2.842 9 HE3 TRP 1 3HE TRP 1 -3.752 3.911 -1.983 10 HZ2 TRP 1 2HZ TRP 1 -7.452 2.485 -4.973 11 HZ3 TRP 1 3HZ TRP 1 -4.146 5.083 -4.098 12 HH2 TRP 1 HH TRP 1 -5.992 4.393 -5.612 13 H TRP 2 H TRP 2 -3.140 1.128 1.578 14 HA TRP 2 HA TRP 2 -1.420 2.639 3.274 15 HB2 TRP 2 2HB TRP 2 -1.799 1.404 5.333 16 HB3 TRP 2 1HB TRP 2 -3.272 2.233 4.856 17 HD1 TRP 2 HD TRP 2 -5.292 0.789 4.032 18 HE1 TRP 2 1HE TRP 2 -5.759 -1.753 4.128 19 HE3 TRP 2 3HE TRP 2 -0.670 -0.825 5.167 20 HZ2 TRP 2 2HZ TRP 2 -4.303 -4.186 4.656 21 HZ3 TRP 2 3HZ TRP 2 -0.185 -3.261 5.481 22 HH2 TRP 2 HH TRP 2 -2.000 -4.934 5.215 23 H TRP 3 H TRP 3 -2.602 -0.495 2.206 24 HA TRP 3 HA TRP 3 -0.070 -1.786 2.588 25 HB2 TRP 3 2HB TRP 3 -1.070 -3.597 1.190 26 HB3 TRP 3 1HB TRP 3 -2.032 -3.180 2.599 27 HD1 TRP 3 HD TRP 3 -4.076 -1.501 2.190 28 HE1 TRP 3 1HE TRP 3 -5.595 -1.264 0.127 29 HE3 TRP 3 3HE TRP 3 -1.142 -3.730 -1.232 30 HZ2 TRP 3 2HZ TRP 3 -5.548 -1.944 -2.676 31 HZ3 TRP 3 3HZ TRP 3 -1.841 -3.907 -3.581 32 HH2 TRP 3 HH TRP 3 -4.045 -3.039 -4.328 33 H LEU 4 H LEU 4 -1.595 0.141 0.172 34 HA LEU 4 HA LEU 4 -0.055 -0.698 -2.076 35 HB2 LEU 4 2HB LEU 4 -2.174 1.089 -1.603 36 HB3 LEU 4 1HB LEU 4 -0.866 2.104 -2.172 37 HG LEU 4 HG LEU 4 -0.791 1.050 -4.270 38 HD11 LEU 4 1HD1 LEU 4 -1.912 -1.276 -2.789 39 HD12 LEU 4 2HD1 LEU 4 -0.626 -1.243 -3.993 40 HD13 LEU 4 3HD1 LEU 4 -2.311 -1.143 -4.496 41 HD21 LEU 4 1HD2 LEU 4 -3.657 0.876 -3.303 42 HD22 LEU 4 2HD2 LEU 4 -3.166 0.864 -4.996 43 HD23 LEU 4 3HD2 LEU 4 -2.872 2.292 -4.004 44 H ARG 5 H ARG 5 0.235 2.109 0.120 45 HA ARG 5 HA ARG 5 2.678 2.966 -1.087 46 HB2 ARG 5 2HB ARG 5 2.826 4.245 1.200 47 HB3 ARG 5 1HB ARG 5 1.619 4.708 0.008 48 HG2 ARG 5 2HG ARG 5 -0.113 4.013 1.312 49 HG3 ARG 5 1HG ARG 5 0.739 2.560 1.828 50 HD2 ARG 5 2HD ARG 5 0.488 3.892 3.782 51 HD3 ARG 5 1HD ARG 5 2.172 4.063 3.295 52 HE ARG 5 HE ARG 5 0.920 6.154 2.056 53 HH11 ARG 5 1HH1 ARG 5 0.673 8.196 3.021 54 HH12 ARG 5 2HH1 ARG 5 0.663 8.337 4.747 55 HH21 ARG 5 1HH2 ARG 5 1.084 4.938 5.292 56 HH22 ARG 5 2HH2 ARG 5 0.897 6.492 6.033 57 H LYS 6 H LYS 6 1.895 0.726 1.504 58 HA LYS 6 HA LYS 6 4.565 0.630 2.549 59 HB2 LYS 6 2HB LYS 6 3.701 -0.745 4.132 60 HB3 LYS 6 1HB LYS 6 2.143 -0.286 3.459 61 HG2 LYS 6 2HG LYS 6 2.092 -2.259 2.060 62 HG3 LYS 6 1HG LYS 6 3.744 -2.678 2.509 63 HD2 LYS 6 2HD LYS 6 3.152 -3.295 4.677 64 HD3 LYS 6 1HD LYS 6 1.661 -2.355 4.641 65 HE2 LYS 6 2HE LYS 6 1.257 -4.815 4.469 66 HE3 LYS 6 1HE LYS 6 0.660 -3.927 3.068 67 HZ1 LYS 6 1HZ LYS 6 2.992 -4.428 2.125 68 HZ2 LYS 6 2HZ LYS 6 1.814 -5.652 2.109 69 HZ3 LYS 6 3HZ LYS 6 3.031 -5.655 3.295 70 H ILE 7 H ILE 7 2.705 -1.290 0.224 71 HA ILE 7 HA ILE 7 4.834 -3.123 -0.314 72 HB ILE 7 HB ILE 7 2.197 -3.225 -0.860 73 HG12 ILE 7 2HG1 ILE 7 3.657 -5.143 -1.148 74 HG13 ILE 7 1HG1 ILE 7 2.715 -4.934 -2.625 75 HG21 ILE 7 1HG2 ILE 7 3.293 -2.477 -3.541 76 HG22 ILE 7 2HG2 ILE 7 2.593 -1.264 -2.482 77 HG23 ILE 7 3HG2 ILE 7 1.612 -2.615 -3.039 78 HD11 ILE 7 1HD1 ILE 7 4.920 -5.311 -3.386 79 HD12 ILE 7 2HD1 ILE 7 5.617 -4.257 -2.159 80 HD13 ILE 7 3HD1 ILE 7 4.705 -3.566 -3.502 81 H TRP 8 H TRP 8 3.929 0.045 -1.254 82 HA TRP 8 HA TRP 8 6.067 0.151 -3.282 83 HB2 TRP 8 2HB TRP 8 3.670 1.971 -2.970 84 HB3 TRP 8 1HB TRP 8 4.852 2.033 -4.266 85 HD1 TRP 8 HD TRP 8 1.546 1.003 -3.918 86 HE1 TRP 8 1HE TRP 8 0.928 -1.051 -5.302 87 HE3 TRP 8 3HE TRP 8 6.216 -0.734 -5.100 88 HZ2 TRP 8 2HZ TRP 8 2.209 -3.158 -6.743 89 HZ3 TRP 8 3HZ TRP 8 6.473 -2.768 -6.481 90 HH2 TRP 8 HH TRP 8 4.474 -3.980 -7.303 91 HN1 NH2 9 1H NH2 8 6.388 0.426 -0.323 92 HN2 NH2 9 2H NH2 8 7.028 1.985 -0.088 Start of MODEL 5 1 H1 TRP 1 1HT TRP 1 -4.891 5.022 0.572 2 H2 TRP 1 2HT TRP 1 -5.140 4.089 -0.826 3 H3 TRP 1 3HT TRP 1 -3.565 4.352 -0.246 4 HA TRP 1 HA TRP 1 -5.648 2.912 1.286 5 HB2 TRP 1 2HB TRP 1 -3.379 1.780 -0.355 6 HB3 TRP 1 1HB TRP 1 -4.523 0.846 0.588 7 HD1 TRP 1 HD TRP 1 -6.642 0.097 -0.587 8 HE1 TRP 1 1HE TRP 1 -7.780 0.661 -2.841 9 HE3 TRP 1 3HE TRP 1 -3.643 3.891 -2.115 10 HZ2 TRP 1 2HZ TRP 1 -7.427 2.507 -5.019 11 HZ3 TRP 1 3HZ TRP 1 -4.033 5.025 -4.251 12 HH2 TRP 1 HH TRP 1 -5.920 4.355 -5.723 13 H TRP 2 H TRP 2 -3.233 1.096 1.683 14 HA TRP 2 HA TRP 2 -1.388 2.660 3.258 15 HB2 TRP 2 2HB TRP 2 -1.755 1.429 5.321 16 HB3 TRP 2 1HB TRP 2 -3.225 2.267 4.855 17 HD1 TRP 2 HD TRP 2 -5.263 0.835 4.047 18 HE1 TRP 2 1HE TRP 2 -5.745 -1.704 4.150 19 HE3 TRP 2 3HE TRP 2 -0.644 -0.806 5.154 20 HZ2 TRP 2 2HZ TRP 2 -4.302 -4.145 4.672 21 HZ3 TRP 2 3HZ TRP 2 -0.172 -3.246 5.469 22 HH2 TRP 2 HH TRP 2 -2.000 -4.907 5.218 23 H TRP 3 H TRP 3 -2.589 -0.480 2.222 24 HA TRP 3 HA TRP 3 -0.064 -1.781 2.591 25 HB2 TRP 3 2HB TRP 3 -1.076 -3.597 1.217 26 HB3 TRP 3 1HB TRP 3 -2.041 -3.157 2.617 27 HD1 TRP 3 HD TRP 3 -4.070 -1.466 2.182 28 HE1 TRP 3 1HE TRP 3 -5.576 -1.236 0.107 29 HE3 TRP 3 3HE TRP 3 -1.136 -3.758 -1.200 30 HZ2 TRP 3 2HZ TRP 3 -5.516 -1.947 -2.690 31 HZ3 TRP 3 3HZ TRP 3 -1.822 -3.953 -3.551 32 HH2 TRP 3 HH TRP 3 -4.013 -3.073 -4.322 33 H LEU 4 H LEU 4 -1.580 0.141 0.162 34 HA LEU 4 HA LEU 4 -0.028 -0.730 -2.072 35 HB2 LEU 4 2HB LEU 4 -2.164 1.042 -1.648 36 HB3 LEU 4 1HB LEU 4 -0.858 2.069 -2.200 37 HG LEU 4 HG LEU 4 -0.739 1.007 -4.292 38 HD11 LEU 4 1HD1 LEU 4 -0.554 -1.283 -4.009 39 HD12 LEU 4 2HD1 LEU 4 -2.236 -1.205 -4.531 40 HD13 LEU 4 3HD1 LEU 4 -1.851 -1.327 -2.820 41 HD21 LEU 4 1HD2 LEU 4 -2.822 2.226 -4.113 42 HD22 LEU 4 2HD2 LEU 4 -3.611 0.848 -3.346 43 HD23 LEU 4 3HD2 LEU 4 -3.120 0.755 -5.037 44 H ARG 5 H ARG 5 0.208 2.083 0.103 45 HA ARG 5 HA ARG 5 2.655 2.979 -1.061 46 HB2 ARG 5 2HB ARG 5 2.795 4.357 1.072 47 HB3 ARG 5 1HB ARG 5 1.359 4.611 0.093 48 HG2 ARG 5 2HG ARG 5 0.279 4.315 2.091 49 HG3 ARG 5 1HG ARG 5 0.483 2.607 1.718 50 HD2 ARG 5 2HD ARG 5 1.327 2.781 3.905 51 HD3 ARG 5 1HD ARG 5 2.780 2.843 2.912 52 HE ARG 5 HE ARG 5 2.059 5.470 3.197 53 HH11 ARG 5 1HH1 ARG 5 2.807 6.776 4.898 54 HH12 ARG 5 2HH1 ARG 5 3.311 6.046 6.385 55 HH21 ARG 5 1HH2 ARG 5 2.651 2.810 5.329 56 HH22 ARG 5 2HH2 ARG 5 3.224 3.801 6.629 57 H LYS 6 H LYS 6 1.869 0.697 1.501 58 HA LYS 6 HA LYS 6 4.534 0.613 2.562 59 HB2 LYS 6 2HB LYS 6 3.669 -0.772 4.134 60 HB3 LYS 6 1HB LYS 6 2.111 -0.334 3.450 61 HG2 LYS 6 2HG LYS 6 2.092 -2.305 2.055 62 HG3 LYS 6 1HG LYS 6 3.752 -2.697 2.497 63 HD2 LYS 6 2HD LYS 6 3.179 -3.393 4.631 64 HD3 LYS 6 1HD LYS 6 1.722 -2.401 4.674 65 HE2 LYS 6 2HE LYS 6 1.407 -4.948 4.411 66 HE3 LYS 6 1HE LYS 6 0.519 -3.908 3.298 67 HZ1 LYS 6 1HZ LYS 6 3.196 -4.710 2.482 68 HZ2 LYS 6 2HZ LYS 6 1.783 -4.532 1.555 69 HZ3 LYS 6 3HZ LYS 6 2.018 -5.930 2.492 70 H ILE 7 H ILE 7 2.700 -1.293 0.207 71 HA ILE 7 HA ILE 7 4.844 -3.109 -0.337 72 HB ILE 7 HB ILE 7 2.211 -3.221 -0.903 73 HG12 ILE 7 2HG1 ILE 7 3.686 -5.126 -1.207 74 HG13 ILE 7 1HG1 ILE 7 2.751 -4.905 -2.686 75 HG21 ILE 7 1HG2 ILE 7 2.594 -1.239 -2.493 76 HG22 ILE 7 2HG2 ILE 7 1.641 -2.595 -3.084 77 HG23 ILE 7 3HG2 ILE 7 3.327 -2.423 -3.562 78 HD11 ILE 7 1HD1 ILE 7 4.962 -5.254 -3.441 79 HD12 ILE 7 2HD1 ILE 7 5.646 -4.214 -2.196 80 HD13 ILE 7 3HD1 ILE 7 4.738 -3.509 -3.533 81 H TRP 8 H TRP 8 3.917 0.063 -1.252 82 HA TRP 8 HA TRP 8 6.074 0.210 -3.258 83 HB2 TRP 8 2HB TRP 8 3.663 2.012 -2.946 84 HB3 TRP 8 1HB TRP 8 4.854 2.092 -4.234 85 HD1 TRP 8 HD TRP 8 1.552 1.037 -3.908 86 HE1 TRP 8 1HE TRP 8 0.950 -1.004 -5.319 87 HE3 TRP 8 3HE TRP 8 6.236 -0.651 -5.098 88 HZ2 TRP 8 2HZ TRP 8 2.251 -3.083 -6.783 89 HZ3 TRP 8 3HZ TRP 8 6.511 -2.666 -6.504 90 HH2 TRP 8 HH TRP 8 4.524 -3.883 -7.347 91 HN1 NH2 9 1H NH2 8 6.376 0.449 -0.298 92 HN2 NH2 9 2H NH2 8 6.995 2.011 -0.036
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