NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2843 | 1cnl | 4399 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H GLY 1 2H GLY 1 -3.924 -6.697 0.732 2 1H GLY 1 1H GLY 1 -4.419 -5.164 1.267 3 3H GLY 1 3H GLY 1 -4.343 -6.459 2.361 4 1HA GLY 1 1HA GLY 1 -2.101 -6.385 2.561 5 2HA GLY 1 2HA GLY 1 -1.900 -5.730 0.935 6 H CYS 2 H CYS 2 -0.417 -4.466 2.590 7 HA CYS 2 HA CYS 2 -1.676 -2.297 4.076 8 1HB CYS 2 1HB CYS 2 0.608 -3.349 4.505 9 2HB CYS 2 2HB CYS 2 1.185 -2.533 3.086 10 H CYS 3 H CYS 3 0.335 -2.303 1.157 11 HA CYS 3 HA CYS 3 -0.429 0.371 0.383 12 1HB CYS 3 1HB CYS 3 1.559 -0.365 -0.567 13 2HB CYS 3 2HB CYS 3 0.938 -1.898 -1.063 14 H SER 4 H SER 4 -2.126 -2.557 0.182 15 HA SER 4 HA SER 4 -3.667 -2.251 -2.184 16 1HB SER 4 1HB SER 4 -3.800 -4.286 -0.656 17 2HB SER 4 2HB SER 4 -4.669 -3.297 0.530 18 HG SER 4 HG SER 4 -6.227 -2.870 -1.028 19 H ASP 5 H ASP 5 -3.644 -0.755 0.858 20 HA ASP 5 HA ASP 5 -5.862 1.140 0.241 21 1HB ASP 5 1HB ASP 5 -4.559 0.501 2.932 22 2HB ASP 5 2HB ASP 5 -6.015 1.450 2.688 23 HA PRO 6 HA PRO 6 -2.335 3.667 -0.441 24 1HB PRO 6 1HB PRO 6 -3.451 6.254 -0.045 25 2HB PRO 6 2HB PRO 6 -3.531 5.328 -1.536 26 1HG PRO 6 1HG PRO 6 -5.650 5.806 0.470 27 2HG PRO 6 2HG PRO 6 -5.806 5.328 -1.214 28 1HD PRO 6 1HD PRO 6 -6.120 3.622 1.057 29 2HD PRO 6 2HD PRO 6 -6.004 3.106 -0.637 30 H ARG 7 H ARG 7 -3.557 3.333 2.543 31 HA ARG 7 HA ARG 7 -2.322 5.297 4.151 32 1HB ARG 7 1HB ARG 7 -2.467 3.591 5.960 33 2HB ARG 7 2HB ARG 7 -3.926 3.573 4.992 34 1HG ARG 7 1HG ARG 7 -2.897 1.636 3.650 35 2HG ARG 7 2HG ARG 7 -1.586 1.613 4.809 36 1HD ARG 7 1HD ARG 7 -3.214 -0.078 5.416 37 2HD ARG 7 2HD ARG 7 -3.228 1.180 6.651 38 HE ARG 7 HE ARG 7 -5.202 2.109 5.133 39 1HH1 ARG 7 1HH1 ARG 7 -4.522 -1.206 5.946 40 2HH1 ARG 7 2HH1 ARG 7 -6.181 -1.676 5.813 41 1HH2 ARG 7 1HH2 ARG 7 -7.285 1.517 4.972 42 2HH2 ARG 7 2HH2 ARG 7 -7.765 -0.124 5.259 43 H CYS 8 H CYS 8 -1.102 2.481 2.552 44 HA CYS 8 HA CYS 8 1.653 2.811 3.594 45 1HB CYS 8 1HB CYS 8 -0.030 0.685 2.953 46 2HB CYS 8 2HB CYS 8 1.122 0.687 1.678 47 H ALA 9 H ALA 9 0.066 2.129 0.557 48 HA ALA 9 HA ALA 9 0.462 2.635 -1.638 49 1HB ALA 9 1HB ALA 9 -0.286 4.827 -0.839 50 2HB ALA 9 2HB ALA 9 1.351 5.261 -0.374 51 3HB ALA 9 3HB ALA 9 0.941 5.054 -2.070 52 H TRP 10 H TRP 10 2.669 1.199 -0.517 53 HA TRP 10 HA TRP 10 5.083 2.476 -1.639 54 1HB TRP 10 1HB TRP 10 6.255 0.351 -0.782 55 2HB TRP 10 2HB TRP 10 5.519 1.369 0.434 56 HD1 TRP 10 HD1 TRP 10 3.166 0.639 1.417 57 HE1 TRP 10 HE1 TRP 10 2.241 -1.677 1.758 58 HE3 TRP 10 HE3 TRP 10 6.184 -1.975 -1.652 59 HZ2 TRP 10 HZ2 TRP 10 2.665 -4.356 0.882 60 HZ3 TRP 10 HZ3 TRP 10 5.924 -4.412 -1.895 61 HH2 TRP 10 HH2 TRP 10 4.167 -5.608 -0.633 62 H ARG 11 H ARG 11 3.268 2.073 -3.553 63 HA ARG 11 HA ARG 11 2.983 1.312 -5.708 64 1HB ARG 11 1HB ARG 11 5.516 1.703 -5.650 65 2HB ARG 11 2HB ARG 11 5.720 -0.013 -5.370 66 1HG ARG 11 1HG ARG 11 4.652 -0.552 -7.530 67 2HG ARG 11 2HG ARG 11 4.313 1.147 -7.810 68 1HD ARG 11 1HD ARG 11 7.098 -0.065 -7.487 69 2HD ARG 11 2HD ARG 11 6.360 0.376 -9.025 70 HE ARG 11 HE ARG 11 6.245 2.669 -7.389 71 1HH1 ARG 11 1HH1 ARG 11 8.621 0.597 -8.825 72 2HH1 ARG 11 2HH1 ARG 11 9.803 1.854 -8.958 73 1HH2 ARG 11 1HH2 ARG 11 7.725 4.277 -7.548 74 2HH2 ARG 11 2HH2 ARG 11 9.290 3.970 -8.225 75 H CYS 12 H CYS 12 2.942 -0.705 -3.152 76 HA CYS 12 HA CYS 12 2.184 -2.850 -2.729 77 1HB CYS 12 1HB CYS 12 0.858 -2.398 -5.436 78 2HB CYS 12 2HB CYS 12 0.451 -3.683 -4.341 79 1HN NH2 13 1HN NH2 13 2.221 -3.608 -6.215 80 2HN NH2 13 2HN NH2 13 3.494 -4.724 -6.116 Start of MODEL 2 1 2H GLY 1 2H GLY 1 -4.883 -5.133 1.656 2 1H GLY 1 1H GLY 1 -4.469 -5.892 3.118 3 3H GLY 1 3H GLY 1 -4.518 -6.792 1.679 4 1HA GLY 1 1HA GLY 1 -2.237 -6.324 2.288 5 2HA GLY 1 2HA GLY 1 -2.676 -5.512 0.788 6 H CYS 2 H CYS 2 -0.566 -4.575 2.078 7 HA CYS 2 HA CYS 2 -1.179 -2.406 3.956 8 1HB CYS 2 1HB CYS 2 0.958 -3.717 3.933 9 2HB CYS 2 2HB CYS 2 1.309 -3.147 2.336 10 H CYS 3 H CYS 3 0.430 -2.323 0.837 11 HA CYS 3 HA CYS 3 -0.435 0.362 0.237 12 1HB CYS 3 1HB CYS 3 1.455 -0.193 -0.884 13 2HB CYS 3 2HB CYS 3 0.948 -1.813 -1.186 14 H SER 4 H SER 4 -2.122 -2.563 0.073 15 HA SER 4 HA SER 4 -3.823 -2.236 -2.179 16 1HB SER 4 1HB SER 4 -3.850 -4.304 -0.725 17 2HB SER 4 2HB SER 4 -4.564 -3.359 0.592 18 HG SER 4 HG SER 4 -5.633 -3.587 -2.024 19 H ASP 5 H ASP 5 -3.623 -0.829 0.899 20 HA ASP 5 HA ASP 5 -5.859 1.097 0.464 21 1HB ASP 5 1HB ASP 5 -4.442 0.270 3.053 22 2HB ASP 5 2HB ASP 5 -5.818 1.356 2.943 23 HA PRO 6 HA PRO 6 -2.173 3.381 -0.417 24 1HB PRO 6 1HB PRO 6 -3.258 6.023 -0.334 25 2HB PRO 6 2HB PRO 6 -3.249 4.962 -1.734 26 1HG PRO 6 1HG PRO 6 -5.495 5.663 0.048 27 2HG PRO 6 2HG PRO 6 -5.539 5.004 -1.580 28 1HD PRO 6 1HD PRO 6 -6.049 3.563 0.831 29 2HD PRO 6 2HD PRO 6 -5.819 2.862 -0.782 30 H ARG 7 H ARG 7 -3.488 3.337 2.539 31 HA ARG 7 HA ARG 7 -2.256 5.463 3.965 32 1HB ARG 7 1HB ARG 7 -2.565 4.015 5.942 33 2HB ARG 7 2HB ARG 7 -3.941 3.797 4.880 34 1HG ARG 7 1HG ARG 7 -2.794 1.723 3.929 35 2HG ARG 7 2HG ARG 7 -1.537 1.924 5.132 36 1HD ARG 7 1HD ARG 7 -3.040 0.311 6.039 37 2HD ARG 7 2HD ARG 7 -3.384 1.786 6.923 38 HE ARG 7 HE ARG 7 -5.086 0.526 4.847 39 1HH1 ARG 7 1HH1 ARG 7 -4.592 3.168 7.051 40 2HH1 ARG 7 2HH1 ARG 7 -6.245 3.671 6.965 41 1HH2 ARG 7 1HH2 ARG 7 -7.149 1.151 4.729 42 2HH2 ARG 7 2HH2 ARG 7 -7.715 2.517 5.633 43 H CYS 8 H CYS 8 -1.173 2.492 2.601 44 HA CYS 8 HA CYS 8 1.568 2.593 3.600 45 1HB CYS 8 1HB CYS 8 -0.352 0.847 2.254 46 2HB CYS 8 2HB CYS 8 1.266 0.434 1.971 47 H ALA 9 H ALA 9 -0.060 2.232 0.514 48 HA ALA 9 HA ALA 9 0.481 2.750 -1.662 49 1HB ALA 9 1HB ALA 9 1.346 5.301 -0.250 50 2HB ALA 9 2HB ALA 9 1.029 5.176 -1.973 51 3HB ALA 9 3HB ALA 9 -0.267 4.910 -0.828 52 H TRP 10 H TRP 10 2.657 1.248 -0.538 53 HA TRP 10 HA TRP 10 5.104 2.528 -1.599 54 1HB TRP 10 1HB TRP 10 6.218 0.325 -0.795 55 2HB TRP 10 2HB TRP 10 5.501 1.322 0.454 56 HD1 TRP 10 HD1 TRP 10 3.135 0.646 1.397 57 HE1 TRP 10 HE1 TRP 10 2.079 -1.626 1.595 58 HE3 TRP 10 HE3 TRP 10 6.019 -1.962 -1.811 59 HZ2 TRP 10 HZ2 TRP 10 2.353 -4.272 0.572 60 HZ3 TRP 10 HZ3 TRP 10 5.619 -4.364 -2.192 61 HH2 TRP 10 HH2 TRP 10 3.788 -5.522 -1.005 62 H ARG 11 H ARG 11 3.142 2.105 -3.438 63 HA ARG 11 HA ARG 11 2.729 1.330 -5.577 64 1HB ARG 11 1HB ARG 11 5.658 0.439 -5.433 65 2HB ARG 11 2HB ARG 11 4.711 0.604 -6.896 66 1HG ARG 11 1HG ARG 11 4.392 3.030 -6.442 67 2HG ARG 11 2HG ARG 11 5.330 2.883 -4.968 68 1HD ARG 11 1HD ARG 11 6.775 3.731 -6.796 69 2HD ARG 11 2HD ARG 11 7.310 2.135 -6.297 70 HE ARG 11 HE ARG 11 6.682 1.295 -8.393 71 1HH1 ARG 11 1HH1 ARG 11 5.275 4.421 -7.875 72 2HH1 ARG 11 2HH1 ARG 11 4.692 4.550 -9.500 73 1HH2 ARG 11 1HH2 ARG 11 5.952 1.438 -10.449 74 2HH2 ARG 11 2HH2 ARG 11 5.079 2.838 -10.978 75 H CYS 12 H CYS 12 2.824 -0.630 -3.122 76 HA CYS 12 HA CYS 12 2.322 -2.848 -2.685 77 1HB CYS 12 1HB CYS 12 1.131 -2.574 -5.475 78 2HB CYS 12 2HB CYS 12 0.824 -3.915 -4.415 79 1HN NH2 13 1HN NH2 13 4.930 -2.261 -4.259 80 2HN NH2 13 2HN NH2 13 5.382 -3.787 -4.852 Start of MODEL 3 1 2H GLY 1 2H GLY 1 -4.022 -6.548 0.686 2 1H GLY 1 1H GLY 1 -4.513 -5.100 1.424 3 3H GLY 1 3H GLY 1 -4.380 -6.519 2.346 4 1HA GLY 1 1HA GLY 1 -2.171 -6.364 2.576 5 2HA GLY 1 2HA GLY 1 -1.975 -5.718 0.945 6 H CYS 2 H CYS 2 -0.452 -4.467 2.558 7 HA CYS 2 HA CYS 2 -1.655 -2.278 4.059 8 1HB CYS 2 1HB CYS 2 0.620 -3.360 4.461 9 2HB CYS 2 2HB CYS 2 1.191 -2.556 3.030 10 H CYS 3 H CYS 3 0.328 -2.315 1.120 11 HA CYS 3 HA CYS 3 -0.433 0.362 0.339 12 1HB CYS 3 1HB CYS 3 1.534 -0.311 -0.642 13 2HB CYS 3 2HB CYS 3 0.991 -1.902 -1.044 14 H SER 4 H SER 4 -2.132 -2.562 0.160 15 HA SER 4 HA SER 4 -3.671 -2.266 -2.211 16 1HB SER 4 1HB SER 4 -3.794 -4.304 -0.690 17 2HB SER 4 2HB SER 4 -4.657 -3.321 0.504 18 HG SER 4 HG SER 4 -6.240 -2.912 -1.019 19 H ASP 5 H ASP 5 -3.608 -0.709 0.785 20 HA ASP 5 HA ASP 5 -5.832 1.171 0.153 21 1HB ASP 5 1HB ASP 5 -4.620 0.463 2.868 22 2HB ASP 5 2HB ASP 5 -6.041 1.461 2.605 23 HA PRO 6 HA PRO 6 -2.326 3.740 -0.385 24 1HB PRO 6 1HB PRO 6 -3.452 6.308 0.109 25 2HB PRO 6 2HB PRO 6 -3.525 5.440 -1.417 26 1HG PRO 6 1HG PRO 6 -5.650 5.841 0.597 27 2HG PRO 6 2HG PRO 6 -5.801 5.412 -1.100 28 1HD PRO 6 1HD PRO 6 -6.105 3.638 1.121 29 2HD PRO 6 2HD PRO 6 -6.003 3.178 -0.589 30 H ARG 7 H ARG 7 -3.528 3.280 2.586 31 HA ARG 7 HA ARG 7 -2.302 5.195 4.261 32 1HB ARG 7 1HB ARG 7 -2.418 3.421 6.008 33 2HB ARG 7 2HB ARG 7 -3.887 3.432 5.054 34 1HG ARG 7 1HG ARG 7 -2.905 1.547 3.639 35 2HG ARG 7 2HG ARG 7 -1.538 1.499 4.732 36 1HD ARG 7 1HD ARG 7 -3.103 -0.228 5.371 37 2HD ARG 7 2HD ARG 7 -3.092 0.996 6.635 38 HE ARG 7 HE ARG 7 -5.157 1.949 5.394 39 1HH1 ARG 7 1HH1 ARG 7 -4.361 -1.449 5.477 40 2HH1 ARG 7 2HH1 ARG 7 -6.009 -1.924 5.262 41 1HH2 ARG 7 1HH2 ARG 7 -7.217 1.331 5.132 42 2HH2 ARG 7 2HH2 ARG 7 -7.638 -0.348 5.068 43 H CYS 8 H CYS 8 -1.078 2.488 2.524 44 HA CYS 8 HA CYS 8 1.693 2.785 3.552 45 1HB CYS 8 1HB CYS 8 0.007 0.664 2.898 46 2HB CYS 8 2HB CYS 8 1.148 0.689 1.613 47 H ALA 9 H ALA 9 0.079 2.125 0.521 48 HA ALA 9 HA ALA 9 0.443 2.675 -1.670 49 1HB ALA 9 1HB ALA 9 -0.295 4.857 -0.830 50 2HB ALA 9 2HB ALA 9 1.350 5.284 -0.381 51 3HB ALA 9 3HB ALA 9 0.918 5.097 -2.073 52 H TRP 10 H TRP 10 2.674 1.246 -0.556 53 HA TRP 10 HA TRP 10 5.066 2.526 -1.708 54 1HB TRP 10 1HB TRP 10 6.259 0.400 -0.873 55 2HB TRP 10 2HB TRP 10 5.515 1.388 0.365 56 HD1 TRP 10 HD1 TRP 10 3.212 0.628 1.363 57 HE1 TRP 10 HE1 TRP 10 2.261 -1.690 1.636 58 HE3 TRP 10 HE3 TRP 10 6.133 -1.921 -1.860 59 HZ2 TRP 10 HZ2 TRP 10 2.626 -4.333 0.656 60 HZ3 TRP 10 HZ3 TRP 10 5.826 -4.343 -2.187 61 HH2 TRP 10 HH2 TRP 10 4.076 -5.554 -0.933 62 H ARG 11 H ARG 11 3.119 2.028 -3.535 63 HA ARG 11 HA ARG 11 2.736 1.240 -5.667 64 1HB ARG 11 1HB ARG 11 4.644 1.156 -6.959 65 2HB ARG 11 2HB ARG 11 5.461 1.607 -5.486 66 1HG ARG 11 1HG ARG 11 5.736 -1.004 -5.100 67 2HG ARG 11 2HG ARG 11 5.276 -1.128 -6.775 68 1HD ARG 11 1HD ARG 11 7.140 0.254 -7.493 69 2HD ARG 11 2HD ARG 11 7.613 0.564 -5.826 70 HE ARG 11 HE ARG 11 8.179 -1.831 -7.346 71 1HH1 ARG 11 1HH1 ARG 11 7.499 -0.626 -4.163 72 2HH1 ARG 11 2HH1 ARG 11 8.330 -1.924 -3.375 73 1HH2 ARG 11 1HH2 ARG 11 9.232 -3.479 -6.365 74 2HH2 ARG 11 2HH2 ARG 11 9.325 -3.562 -4.637 75 H CYS 12 H CYS 12 2.930 -0.691 -3.118 76 HA CYS 12 HA CYS 12 2.333 -2.867 -2.601 77 1HB CYS 12 1HB CYS 12 1.014 -2.696 -5.348 78 2HB CYS 12 2HB CYS 12 0.679 -3.909 -4.151 79 1HN NH2 13 1HN NH2 13 4.896 -2.436 -4.180 80 2HN NH2 13 2HN NH2 13 5.263 -3.962 -4.826 Start of MODEL 4 1 2H GLY 1 2H GLY 1 -4.298 -5.738 0.603 2 1H GLY 1 1H GLY 1 -4.657 -5.284 2.199 3 3H GLY 1 3H GLY 1 -4.270 -6.898 1.843 4 1HA GLY 1 1HA GLY 1 -2.235 -6.337 2.541 5 2HA GLY 1 2HA GLY 1 -2.098 -5.685 0.908 6 H CYS 2 H CYS 2 -0.476 -4.474 2.453 7 HA CYS 2 HA CYS 2 -1.584 -2.254 4.001 8 1HB CYS 2 1HB CYS 2 0.676 -3.439 4.330 9 2HB CYS 2 2HB CYS 2 1.235 -2.612 2.907 10 H CYS 3 H CYS 3 0.337 -2.326 1.019 11 HA CYS 3 HA CYS 3 -0.417 0.366 0.273 12 1HB CYS 3 1HB CYS 3 1.503 -0.280 -0.790 13 2HB CYS 3 2HB CYS 3 0.981 -1.900 -1.100 14 H SER 4 H SER 4 -2.111 -2.570 0.087 15 HA SER 4 HA SER 4 -3.727 -2.223 -2.224 16 1HB SER 4 1HB SER 4 -3.772 -4.307 -0.778 17 2HB SER 4 2HB SER 4 -4.597 -3.383 0.488 18 HG SER 4 HG SER 4 -5.479 -3.638 -2.192 19 H ASP 5 H ASP 5 -3.599 -0.744 0.815 20 HA ASP 5 HA ASP 5 -5.874 1.108 0.281 21 1HB ASP 5 1HB ASP 5 -4.623 0.313 2.969 22 2HB ASP 5 2HB ASP 5 -6.051 1.314 2.750 23 HA PRO 6 HA PRO 6 -2.402 3.644 -0.405 24 1HB PRO 6 1HB PRO 6 -3.522 6.227 0.021 25 2HB PRO 6 2HB PRO 6 -3.611 5.304 -1.471 26 1HG PRO 6 1HG PRO 6 -5.709 5.763 0.561 27 2HG PRO 6 2HG PRO 6 -5.883 5.288 -1.121 28 1HD PRO 6 1HD PRO 6 -6.167 3.574 1.139 29 2HD PRO 6 2HD PRO 6 -6.050 3.064 -0.556 30 H ARG 7 H ARG 7 -3.530 3.315 2.624 31 HA ARG 7 HA ARG 7 -2.190 5.327 4.115 32 1HB ARG 7 1HB ARG 7 -2.442 3.747 6.011 33 2HB ARG 7 2HB ARG 7 -3.900 3.810 5.056 34 1HG ARG 7 1HG ARG 7 -3.732 1.502 5.311 35 2HG ARG 7 2HG ARG 7 -2.833 1.686 3.824 36 1HD ARG 7 1HD ARG 7 -0.702 1.527 4.997 37 2HD ARG 7 2HD ARG 7 -1.511 1.698 6.552 38 HE ARG 7 HE ARG 7 -2.306 -0.594 4.850 39 1HH1 ARG 7 1HH1 ARG 7 -0.514 0.597 7.585 40 2HH1 ARG 7 2HH1 ARG 7 -0.360 -0.973 8.293 41 1HH2 ARG 7 1HH2 ARG 7 -2.106 -2.584 5.753 42 2HH2 ARG 7 2HH2 ARG 7 -1.257 -2.786 7.249 43 H CYS 8 H CYS 8 -1.059 2.530 2.451 44 HA CYS 8 HA CYS 8 1.686 2.736 3.592 45 1HB CYS 8 1HB CYS 8 -0.001 0.643 2.929 46 2HB CYS 8 2HB CYS 8 1.091 0.675 1.604 47 H ALA 9 H ALA 9 0.074 2.179 0.550 48 HA ALA 9 HA ALA 9 0.470 2.706 -1.629 49 1HB ALA 9 1HB ALA 9 -0.252 4.889 -0.785 50 2HB ALA 9 2HB ALA 9 1.392 5.299 -0.316 51 3HB ALA 9 3HB ALA 9 0.972 5.137 -2.015 52 H TRP 10 H TRP 10 2.674 1.233 -0.576 53 HA TRP 10 HA TRP 10 5.086 2.497 -1.713 54 1HB TRP 10 1HB TRP 10 6.249 0.351 -0.899 55 2HB TRP 10 2HB TRP 10 5.501 1.315 0.357 56 HD1 TRP 10 HD1 TRP 10 3.122 0.554 1.253 57 HE1 TRP 10 HE1 TRP 10 2.182 -1.771 1.480 58 HE3 TRP 10 HE3 TRP 10 6.194 -1.943 -1.858 59 HZ2 TRP 10 HZ2 TRP 10 2.615 -4.411 0.502 60 HZ3 TRP 10 HZ3 TRP 10 5.929 -4.368 -2.209 61 HH2 TRP 10 HH2 TRP 10 4.143 -5.607 -1.032 62 H ARG 11 H ARG 11 3.087 2.029 -3.507 63 HA ARG 11 HA ARG 11 2.654 1.223 -5.636 64 1HB ARG 11 1HB ARG 11 5.124 1.942 -5.792 65 2HB ARG 11 2HB ARG 11 5.559 0.258 -5.590 66 1HG ARG 11 1HG ARG 11 4.339 -0.350 -7.662 67 2HG ARG 11 2HG ARG 11 3.792 1.305 -7.842 68 1HD ARG 11 1HD ARG 11 6.707 0.386 -7.849 69 2HD ARG 11 2HD ARG 11 5.786 0.806 -9.284 70 HE ARG 11 HE ARG 11 6.961 2.666 -7.376 71 1HH1 ARG 11 1HH1 ARG 11 4.438 2.195 -9.709 72 2HH1 ARG 11 2HH1 ARG 11 4.264 3.888 -10.025 73 1HH2 ARG 11 1HH2 ARG 11 6.752 4.808 -7.760 74 2HH2 ARG 11 2HH2 ARG 11 5.591 5.390 -8.907 75 H CYS 12 H CYS 12 2.858 -0.671 -3.119 76 HA CYS 12 HA CYS 12 2.380 -2.872 -2.591 77 1HB CYS 12 1HB CYS 12 1.133 -2.763 -5.370 78 2HB CYS 12 2HB CYS 12 0.843 -4.020 -4.208 79 1HN NH2 13 1HN NH2 13 4.923 -2.299 -4.317 80 2HN NH2 13 2HN NH2 13 5.388 -3.849 -4.830 Start of MODEL 5 1 2H GLY 1 2H GLY 1 -4.088 -6.816 1.224 2 1H GLY 1 1H GLY 1 -4.528 -5.182 1.364 3 3H GLY 1 3H GLY 1 -4.520 -6.179 2.738 4 1HA GLY 1 1HA GLY 1 -2.215 -6.288 2.825 5 2HA GLY 1 2HA GLY 1 -2.067 -5.701 1.168 6 H CYS 2 H CYS 2 -0.564 -4.424 2.890 7 HA CYS 2 HA CYS 2 -1.816 -2.166 4.225 8 1HB CYS 2 1HB CYS 2 0.432 -3.239 4.767 9 2HB CYS 2 2HB CYS 2 1.070 -2.506 3.327 10 H CYS 3 H CYS 3 0.276 -2.345 1.375 11 HA CYS 3 HA CYS 3 -0.358 0.295 0.397 12 1HB CYS 3 1HB CYS 3 1.581 -0.451 -0.459 13 2HB CYS 3 2HB CYS 3 1.048 -2.075 -0.662 14 H SER 4 H SER 4 -2.139 -2.610 0.289 15 HA SER 4 HA SER 4 -3.577 -2.348 -2.154 16 1HB SER 4 1HB SER 4 -3.768 -4.362 -0.606 17 2HB SER 4 2HB SER 4 -4.676 -3.358 0.535 18 HG SER 4 HG SER 4 -5.336 -3.749 -2.191 19 H ASP 5 H ASP 5 -3.614 -0.728 0.813 20 HA ASP 5 HA ASP 5 -5.807 1.140 0.047 21 1HB ASP 5 1HB ASP 5 -4.760 0.448 2.847 22 2HB ASP 5 2HB ASP 5 -6.156 1.450 2.485 23 HA PRO 6 HA PRO 6 -2.298 3.657 -0.442 24 1HB PRO 6 1HB PRO 6 -3.403 6.255 -0.085 25 2HB PRO 6 2HB PRO 6 -3.464 5.319 -1.572 26 1HG PRO 6 1HG PRO 6 -5.612 5.825 0.399 27 2HG PRO 6 2HG PRO 6 -5.746 5.344 -1.285 28 1HD PRO 6 1HD PRO 6 -6.110 3.646 0.982 29 2HD PRO 6 2HD PRO 6 -5.972 3.127 -0.708 30 H ARG 7 H ARG 7 -3.585 3.365 2.522 31 HA ARG 7 HA ARG 7 -2.357 5.331 4.132 32 1HB ARG 7 1HB ARG 7 -2.503 3.613 5.948 33 2HB ARG 7 2HB ARG 7 -3.981 3.670 5.008 34 1HG ARG 7 1HG ARG 7 -3.137 1.703 3.640 35 2HG ARG 7 2HG ARG 7 -1.740 1.609 4.694 36 1HD ARG 7 1HD ARG 7 -4.619 1.331 5.635 37 2HD ARG 7 2HD ARG 7 -3.496 -0.002 5.376 38 HE ARG 7 HE ARG 7 -2.271 1.882 7.128 39 1HH1 ARG 7 1HH1 ARG 7 -4.876 -0.399 7.013 40 2HH1 ARG 7 2HH1 ARG 7 -4.826 -0.717 8.714 41 1HH2 ARG 7 1HH2 ARG 7 -2.187 1.495 9.285 42 2HH2 ARG 7 2HH2 ARG 7 -3.280 0.371 10.021 43 H CYS 8 H CYS 8 -1.135 2.534 2.547 44 HA CYS 8 HA CYS 8 1.620 2.847 3.620 45 1HB CYS 8 1HB CYS 8 -0.075 0.705 3.025 46 2HB CYS 8 2HB CYS 8 1.107 0.667 1.773 47 H ALA 9 H ALA 9 0.011 2.073 0.620 48 HA ALA 9 HA ALA 9 0.429 2.478 -1.602 49 1HB ALA 9 1HB ALA 9 -0.377 4.686 -0.895 50 2HB ALA 9 2HB ALA 9 1.249 5.171 -0.440 51 3HB ALA 9 3HB ALA 9 0.855 4.880 -2.128 52 H TRP 10 H TRP 10 2.613 1.072 -0.497 53 HA TRP 10 HA TRP 10 5.040 2.409 -1.462 54 1HB TRP 10 1HB TRP 10 6.160 0.166 -0.788 55 2HB TRP 10 2HB TRP 10 5.462 1.175 0.446 56 HD1 TRP 10 HD1 TRP 10 3.233 0.474 1.605 57 HE1 TRP 10 HE1 TRP 10 2.262 -1.825 1.928 58 HE3 TRP 10 HE3 TRP 10 5.863 -2.096 -1.841 59 HZ2 TRP 10 HZ2 TRP 10 2.505 -4.474 0.905 60 HZ3 TRP 10 HZ3 TRP 10 5.492 -4.513 -2.165 61 HH2 TRP 10 HH2 TRP 10 3.816 -5.706 -0.795 62 H ARG 11 H ARG 11 3.147 2.039 -3.382 63 HA ARG 11 HA ARG 11 2.739 1.263 -5.523 64 1HB ARG 11 1HB ARG 11 5.785 0.989 -5.496 65 2HB ARG 11 2HB ARG 11 4.797 1.150 -6.928 66 1HG ARG 11 1HG ARG 11 5.089 3.254 -4.736 67 2HG ARG 11 2HG ARG 11 5.845 3.313 -6.311 68 1HD ARG 11 1HD ARG 11 2.833 3.397 -5.786 69 2HD ARG 11 2HD ARG 11 3.827 4.740 -6.312 70 HE ARG 11 HE ARG 11 2.850 2.561 -7.981 71 1HH1 ARG 11 1HH1 ARG 11 5.309 4.974 -7.583 72 2HH1 ARG 11 2HH1 ARG 11 5.676 5.035 -9.274 73 1HH2 ARG 11 1HH2 ARG 11 3.301 2.624 -10.118 74 2HH2 ARG 11 2HH2 ARG 11 4.526 3.686 -10.730 75 H CYS 12 H CYS 12 2.832 -0.797 -3.380 76 HA CYS 12 HA CYS 12 3.978 -3.207 -3.924 77 1HB CYS 12 1HB CYS 12 1.949 -4.320 -3.126 78 2HB CYS 12 2HB CYS 12 2.405 -2.943 -2.166 79 1HN NH2 13 1HN NH2 13 4.012 -4.768 -5.540 80 2HN NH2 13 2HN NH2 13 2.973 -4.803 -6.883 Start of MODEL 6 1 2H GLY 1 2H GLY 1 -4.307 -5.559 0.846 2 1H GLY 1 1H GLY 1 -4.533 -5.844 2.504 3 3H GLY 1 3H GLY 1 -4.041 -7.111 1.485 4 1HA GLY 1 1HA GLY 1 -2.098 -6.473 2.582 5 2HA GLY 1 2HA GLY 1 -2.004 -5.733 0.984 6 H CYS 2 H CYS 2 -0.465 -4.378 2.263 7 HA CYS 2 HA CYS 2 -1.683 -2.316 4.008 8 1HB CYS 2 1HB CYS 2 0.589 -3.397 4.407 9 2HB CYS 2 2HB CYS 2 1.168 -2.578 2.988 10 H CYS 3 H CYS 3 0.290 -2.334 1.070 11 HA CYS 3 HA CYS 3 -0.418 0.363 0.317 12 1HB CYS 3 1HB CYS 3 1.516 -0.302 -0.704 13 2HB CYS 3 2HB CYS 3 0.982 -1.909 -1.049 14 H SER 4 H SER 4 -2.156 -2.559 0.034 15 HA SER 4 HA SER 4 -3.692 -2.116 -2.318 16 1HB SER 4 1HB SER 4 -5.440 -3.557 -1.163 17 2HB SER 4 2HB SER 4 -3.825 -4.233 -0.900 18 HG SER 4 HG SER 4 -4.618 -4.046 1.101 19 H ASP 5 H ASP 5 -3.620 -0.723 0.759 20 HA ASP 5 HA ASP 5 -5.859 1.179 0.251 21 1HB ASP 5 1HB ASP 5 -4.513 0.508 2.909 22 2HB ASP 5 2HB ASP 5 -6.018 1.384 2.692 23 HA PRO 6 HA PRO 6 -2.340 3.738 -0.384 24 1HB PRO 6 1HB PRO 6 -3.467 6.307 0.104 25 2HB PRO 6 2HB PRO 6 -3.547 5.430 -1.416 26 1HG PRO 6 1HG PRO 6 -5.662 5.838 0.607 27 2HG PRO 6 2HG PRO 6 -5.821 5.397 -1.086 28 1HD PRO 6 1HD PRO 6 -6.108 3.638 1.149 29 2HD PRO 6 2HD PRO 6 -6.015 3.166 -0.558 30 H ARG 7 H ARG 7 -3.516 3.294 2.600 31 HA ARG 7 HA ARG 7 -2.274 5.224 4.250 32 1HB ARG 7 1HB ARG 7 -2.405 3.483 6.016 33 2HB ARG 7 2HB ARG 7 -3.866 3.455 5.049 34 1HG ARG 7 1HG ARG 7 -2.803 1.566 3.667 35 2HG ARG 7 2HG ARG 7 -1.491 1.543 4.825 36 1HD ARG 7 1HD ARG 7 -3.073 -0.189 5.412 37 2HD ARG 7 2HD ARG 7 -3.138 1.055 6.660 38 HE ARG 7 HE ARG 7 -5.114 1.927 5.073 39 1HH1 ARG 7 1HH1 ARG 7 -4.357 -1.320 6.062 40 2HH1 ARG 7 2HH1 ARG 7 -6.003 -1.841 5.953 41 1HH2 ARG 7 1HH2 ARG 7 -7.188 1.272 4.939 42 2HH2 ARG 7 2HH2 ARG 7 -7.624 -0.362 5.315 43 H CYS 8 H CYS 8 -1.074 2.472 2.551 44 HA CYS 8 HA CYS 8 1.697 2.760 3.563 45 1HB CYS 8 1HB CYS 8 -0.007 0.658 2.891 46 2HB CYS 8 2HB CYS 8 1.134 0.682 1.608 47 H ALA 9 H ALA 9 0.078 2.143 0.527 48 HA ALA 9 HA ALA 9 0.442 2.711 -1.658 49 1HB ALA 9 1HB ALA 9 -0.272 4.892 -0.795 50 2HB ALA 9 2HB ALA 9 1.377 5.299 -0.344 51 3HB ALA 9 3HB ALA 9 0.940 5.135 -2.037 52 H TRP 10 H TRP 10 2.659 1.243 -0.574 53 HA TRP 10 HA TRP 10 5.062 2.508 -1.728 54 1HB TRP 10 1HB TRP 10 6.230 0.358 -0.906 55 2HB TRP 10 2HB TRP 10 5.514 1.359 0.338 56 HD1 TRP 10 HD1 TRP 10 3.186 0.634 1.339 57 HE1 TRP 10 HE1 TRP 10 2.216 -1.673 1.629 58 HE3 TRP 10 HE3 TRP 10 6.088 -1.958 -1.862 59 HZ2 TRP 10 HZ2 TRP 10 2.563 -4.329 0.671 60 HZ3 TRP 10 HZ3 TRP 10 5.766 -4.381 -2.170 61 HH2 TRP 10 HH2 TRP 10 4.006 -5.571 -0.907 62 H ARG 11 H ARG 11 3.088 2.036 -3.537 63 HA ARG 11 HA ARG 11 2.658 1.211 -5.644 64 1HB ARG 11 1HB ARG 11 5.068 1.951 -5.915 65 2HB ARG 11 2HB ARG 11 5.604 0.346 -5.489 66 1HG ARG 11 1HG ARG 11 5.673 0.709 -7.916 67 2HG ARG 11 2HG ARG 11 4.599 -0.604 -7.527 68 1HD ARG 11 1HD ARG 11 2.641 1.027 -7.752 69 2HD ARG 11 2HD ARG 11 3.798 2.277 -8.188 70 HE ARG 11 HE ARG 11 4.011 1.295 -10.306 71 1HH1 ARG 11 1HH1 ARG 11 2.449 -0.883 -8.104 72 2HH1 ARG 11 2HH1 ARG 11 2.038 -2.018 -9.344 73 1HH2 ARG 11 1HH2 ARG 11 3.500 -0.130 -11.888 74 2HH2 ARG 11 2HH2 ARG 11 2.640 -1.588 -11.517 75 H CYS 12 H CYS 12 2.873 -0.673 -3.117 76 HA CYS 12 HA CYS 12 2.377 -2.866 -2.574 77 1HB CYS 12 1HB CYS 12 1.097 -2.771 -5.338 78 2HB CYS 12 2HB CYS 12 0.794 -3.996 -4.145 79 1HN NH2 13 1HN NH2 13 4.910 -2.331 -4.307 80 2HN NH2 13 2HN NH2 13 5.349 -3.882 -4.837 Start of MODEL 7 1 2H GLY 1 2H GLY 1 -4.074 -6.602 0.958 2 1H GLY 1 1H GLY 1 -4.571 -5.086 1.534 3 3H GLY 1 3H GLY 1 -4.495 -6.411 2.592 4 1HA GLY 1 1HA GLY 1 -2.277 -6.297 2.855 5 2HA GLY 1 2HA GLY 1 -2.035 -5.719 1.205 6 H CYS 2 H CYS 2 -0.569 -4.429 2.882 7 HA CYS 2 HA CYS 2 -1.811 -2.171 4.228 8 1HB CYS 2 1HB CYS 2 0.437 -3.249 4.759 9 2HB CYS 2 2HB CYS 2 1.070 -2.515 3.317 10 H CYS 3 H CYS 3 0.271 -2.348 1.371 11 HA CYS 3 HA CYS 3 -0.368 0.293 0.397 12 1HB CYS 3 1HB CYS 3 1.566 -0.442 -0.466 13 2HB CYS 3 2HB CYS 3 1.048 -2.072 -0.656 14 H SER 4 H SER 4 -2.147 -2.609 0.297 15 HA SER 4 HA SER 4 -3.592 -2.349 -2.143 16 1HB SER 4 1HB SER 4 -3.776 -4.365 -0.599 17 2HB SER 4 2HB SER 4 -4.678 -3.363 0.549 18 HG SER 4 HG SER 4 -6.204 -2.972 -1.033 19 H ASP 5 H ASP 5 -3.614 -0.727 0.821 20 HA ASP 5 HA ASP 5 -5.813 1.139 0.066 21 1HB ASP 5 1HB ASP 5 -4.759 0.439 2.863 22 2HB ASP 5 2HB ASP 5 -6.155 1.445 2.507 23 HA PRO 6 HA PRO 6 -2.310 3.652 -0.439 24 1HB PRO 6 1HB PRO 6 -3.414 6.251 -0.084 25 2HB PRO 6 2HB PRO 6 -3.479 5.312 -1.569 26 1HG PRO 6 1HG PRO 6 -5.621 5.822 0.406 27 2HG PRO 6 2HG PRO 6 -5.759 5.335 -1.277 28 1HD PRO 6 1HD PRO 6 -6.115 3.645 0.997 29 2HD PRO 6 2HD PRO 6 -5.983 3.121 -0.692 30 H ARG 7 H ARG 7 -3.583 3.372 2.534 31 HA ARG 7 HA ARG 7 -2.341 5.348 4.124 32 1HB ARG 7 1HB ARG 7 -2.478 3.648 5.950 33 2HB ARG 7 2HB ARG 7 -3.965 3.702 5.024 34 1HG ARG 7 1HG ARG 7 -3.130 1.720 3.666 35 2HG ARG 7 2HG ARG 7 -1.736 1.628 4.721 36 1HD ARG 7 1HD ARG 7 -4.625 1.327 5.648 37 2HD ARG 7 2HD ARG 7 -3.482 0.021 5.399 38 HE ARG 7 HE ARG 7 -2.229 0.727 7.303 39 1HH1 ARG 7 1HH1 ARG 7 -4.998 2.748 6.709 40 2HH1 ARG 7 2HH1 ARG 7 -4.947 3.447 8.289 41 1HH2 ARG 7 1HH2 ARG 7 -2.162 1.612 9.290 42 2HH2 ARG 7 2HH2 ARG 7 -3.325 2.803 9.766 43 H CYS 8 H CYS 8 -1.136 2.533 2.554 44 HA CYS 8 HA CYS 8 1.623 2.839 3.618 45 1HB CYS 8 1HB CYS 8 -0.077 0.703 3.028 46 2HB CYS 8 2HB CYS 8 1.098 0.663 1.769 47 H ALA 9 H ALA 9 0.007 2.073 0.618 48 HA ALA 9 HA ALA 9 0.427 2.479 -1.604 49 1HB ALA 9 1HB ALA 9 -0.386 4.684 -0.895 50 2HB ALA 9 2HB ALA 9 1.238 5.173 -0.437 51 3HB ALA 9 3HB ALA 9 0.846 4.886 -2.125 52 H TRP 10 H TRP 10 2.607 1.065 -0.523 53 HA TRP 10 HA TRP 10 5.034 2.412 -1.475 54 1HB TRP 10 1HB TRP 10 6.159 0.174 -0.799 55 2HB TRP 10 2HB TRP 10 5.454 1.181 0.432 56 HD1 TRP 10 HD1 TRP 10 3.219 0.472 1.581 57 HE1 TRP 10 HE1 TRP 10 2.262 -1.831 1.907 58 HE3 TRP 10 HE3 TRP 10 5.884 -2.090 -1.843 59 HZ2 TRP 10 HZ2 TRP 10 2.529 -4.483 0.894 60 HZ3 TRP 10 HZ3 TRP 10 5.533 -4.511 -2.160 61 HH2 TRP 10 HH2 TRP 10 3.857 -5.711 -0.794 62 H ARG 11 H ARG 11 3.142 2.030 -3.395 63 HA ARG 11 HA ARG 11 2.738 1.260 -5.539 64 1HB ARG 11 1HB ARG 11 5.003 2.507 -5.586 65 2HB ARG 11 2HB ARG 11 5.773 0.935 -5.603 66 1HG ARG 11 1HG ARG 11 4.589 0.386 -7.757 67 2HG ARG 11 2HG ARG 11 3.785 1.940 -7.695 68 1HD ARG 11 1HD ARG 11 5.754 2.026 -9.195 69 2HD ARG 11 2HD ARG 11 6.022 3.068 -7.799 70 HE ARG 11 HE ARG 11 7.031 0.453 -7.228 71 1HH1 ARG 11 1HH1 ARG 11 7.660 3.248 -9.176 72 2HH1 ARG 11 2HH1 ARG 11 9.367 2.967 -9.231 73 1HH2 ARG 11 1HH2 ARG 11 9.188 0.076 -7.285 74 2HH2 ARG 11 2HH2 ARG 11 10.247 1.143 -8.146 75 H CYS 12 H CYS 12 2.813 -0.785 -3.393 76 HA CYS 12 HA CYS 12 4.011 -3.188 -3.903 77 1HB CYS 12 1HB CYS 12 1.998 -4.319 -3.090 78 2HB CYS 12 2HB CYS 12 2.430 -2.922 -2.148 79 1HN NH2 13 1HN NH2 13 4.041 -4.787 -5.485 80 2HN NH2 13 2HN NH2 13 3.012 -4.836 -6.836 Start of MODEL 8 1 2H GLY 1 2H GLY 1 -3.975 -6.894 0.898 2 1H GLY 1 1H GLY 1 -4.437 -5.277 1.127 3 3H GLY 1 3H GLY 1 -4.371 -6.333 2.452 4 1HA GLY 1 1HA GLY 1 -2.065 -6.410 2.467 5 2HA GLY 1 2HA GLY 1 -1.976 -5.746 0.835 6 H CYS 2 H CYS 2 -0.423 -4.492 2.443 7 HA CYS 2 HA CYS 2 -1.624 -2.322 3.978 8 1HB CYS 2 1HB CYS 2 0.644 -3.427 4.332 9 2HB CYS 2 2HB CYS 2 1.203 -2.588 2.918 10 H CYS 3 H CYS 3 0.304 -2.319 1.010 11 HA CYS 3 HA CYS 3 -0.471 0.366 0.281 12 1HB CYS 3 1HB CYS 3 1.447 -0.260 -0.782 13 2HB CYS 3 2HB CYS 3 0.949 -1.884 -1.092 14 H SER 4 H SER 4 -2.203 -2.532 0.138 15 HA SER 4 HA SER 4 -3.817 -2.175 -2.187 16 1HB SER 4 1HB SER 4 -3.875 -4.268 -0.743 17 2HB SER 4 2HB SER 4 -4.691 -3.337 0.525 18 HG SER 4 HG SER 4 -5.614 -3.380 -2.139 19 H ASP 5 H ASP 5 -3.648 -0.713 0.857 20 HA ASP 5 HA ASP 5 -5.920 1.155 0.363 21 1HB ASP 5 1HB ASP 5 -4.591 0.393 3.004 22 2HB ASP 5 2HB ASP 5 -6.042 1.368 2.836 23 HA PRO 6 HA PRO 6 -2.453 3.657 -0.420 24 1HB PRO 6 1HB PRO 6 -3.536 6.256 -0.007 25 2HB PRO 6 2HB PRO 6 -3.708 5.305 -1.476 26 1HG PRO 6 1HG PRO 6 -5.695 5.813 0.661 27 2HG PRO 6 2HG PRO 6 -5.963 5.346 -1.011 28 1HD PRO 6 1HD PRO 6 -6.170 3.628 1.246 29 2HD PRO 6 2HD PRO 6 -6.114 3.118 -0.451 30 H ARG 7 H ARG 7 -3.537 3.430 2.640 31 HA ARG 7 HA ARG 7 -2.130 5.418 4.083 32 1HB ARG 7 1HB ARG 7 -2.192 3.707 5.962 33 2HB ARG 7 2HB ARG 7 -3.742 3.990 5.200 34 1HG ARG 7 1HG ARG 7 -3.285 1.884 3.754 35 2HG ARG 7 2HG ARG 7 -1.890 1.605 4.773 36 1HD ARG 7 1HD ARG 7 -3.263 1.340 6.752 37 2HD ARG 7 2HD ARG 7 -4.679 1.985 5.931 38 HE ARG 7 HE ARG 7 -5.064 -0.110 4.991 39 1HH1 ARG 7 1HH1 ARG 7 -1.821 0.047 6.204 40 2HH1 ARG 7 2HH1 ARG 7 -1.529 -1.638 5.935 41 1HH2 ARG 7 1HH2 ARG 7 -4.723 -2.218 4.645 42 2HH2 ARG 7 2HH2 ARG 7 -3.202 -2.948 5.035 43 H CYS 8 H CYS 8 -1.087 2.493 2.531 44 HA CYS 8 HA CYS 8 1.685 2.717 3.556 45 1HB CYS 8 1HB CYS 8 -0.048 0.656 2.904 46 2HB CYS 8 2HB CYS 8 1.053 0.665 1.584 47 H ALA 9 H ALA 9 0.061 2.152 0.514 48 HA ALA 9 HA ALA 9 0.486 2.657 -1.670 49 1HB ALA 9 1HB ALA 9 -0.279 4.841 -0.854 50 2HB ALA 9 2HB ALA 9 1.351 5.275 -0.363 51 3HB ALA 9 3HB ALA 9 0.960 5.096 -2.066 52 H TRP 10 H TRP 10 2.664 1.209 -0.581 53 HA TRP 10 HA TRP 10 5.102 2.478 -1.655 54 1HB TRP 10 1HB TRP 10 6.250 0.324 -0.836 55 2HB TRP 10 2HB TRP 10 5.469 1.262 0.420 56 HD1 TRP 10 HD1 TRP 10 3.075 0.485 1.241 57 HE1 TRP 10 HE1 TRP 10 2.124 -1.843 1.401 58 HE3 TRP 10 HE3 TRP 10 6.212 -1.963 -1.845 59 HZ2 TRP 10 HZ2 TRP 10 2.572 -4.462 0.383 60 HZ3 TRP 10 HZ3 TRP 10 5.947 -4.380 -2.250 61 HH2 TRP 10 HH2 TRP 10 4.130 -5.634 -1.139 62 H ARG 11 H ARG 11 3.121 2.022 -3.475 63 HA ARG 11 HA ARG 11 2.706 1.221 -5.606 64 1HB ARG 11 1HB ARG 11 5.639 0.303 -5.467 65 2HB ARG 11 2HB ARG 11 4.704 0.481 -6.927 66 1HG ARG 11 1HG ARG 11 5.095 2.869 -5.096 67 2HG ARG 11 2HG ARG 11 6.342 2.405 -6.228 68 1HD ARG 11 1HD ARG 11 4.907 4.126 -7.225 69 2HD ARG 11 2HD ARG 11 4.727 2.624 -8.108 70 HE ARG 11 HE ARG 11 2.771 3.565 -6.034 71 1HH1 ARG 11 1HH1 ARG 11 3.444 2.059 -9.113 72 2HH1 ARG 11 2HH1 ARG 11 1.769 1.789 -9.440 73 1HH2 ARG 11 1HH2 ARG 11 0.675 3.216 -6.465 74 2HH2 ARG 11 2HH2 ARG 11 0.192 2.443 -7.938 75 H CYS 12 H CYS 12 2.894 -0.679 -3.107 76 HA CYS 12 HA CYS 12 2.356 -2.859 -2.587 77 1HB CYS 12 1HB CYS 12 1.166 -2.731 -5.384 78 2HB CYS 12 2HB CYS 12 0.861 -4.007 -4.248 79 1HN NH2 13 1HN NH2 13 2.440 -5.297 -3.647 80 2HN NH2 13 2HN NH2 13 3.928 -5.635 -4.388 Start of MODEL 9 1 2H GLY 1 2H GLY 1 -4.266 -5.498 0.784 2 1H GLY 1 1H GLY 1 -4.383 -6.021 2.395 3 3H GLY 1 3H GLY 1 -3.874 -7.101 1.186 4 1HA GLY 1 1HA GLY 1 -1.978 -6.403 2.439 5 2HA GLY 1 2HA GLY 1 -1.895 -5.734 0.808 6 H CYS 2 H CYS 2 -0.394 -4.479 2.526 7 HA CYS 2 HA CYS 2 -1.679 -2.332 4.013 8 1HB CYS 2 1HB CYS 2 0.606 -3.367 4.435 9 2HB CYS 2 2HB CYS 2 1.182 -2.540 3.023 10 H CYS 3 H CYS 3 0.317 -2.304 1.088 11 HA CYS 3 HA CYS 3 -0.424 0.378 0.333 12 1HB CYS 3 1HB CYS 3 1.503 -0.290 -0.710 13 2HB CYS 3 2HB CYS 3 0.953 -1.894 -1.045 14 H SER 4 H SER 4 -2.145 -2.553 0.069 15 HA SER 4 HA SER 4 -3.714 -2.147 -2.264 16 1HB SER 4 1HB SER 4 -4.640 -3.334 0.417 17 2HB SER 4 2HB SER 4 -5.396 -3.620 -1.157 18 HG SER 4 HG SER 4 -3.346 -4.386 -1.879 19 H ASP 5 H ASP 5 -3.632 -0.703 0.789 20 HA ASP 5 HA ASP 5 -5.878 1.176 0.237 21 1HB ASP 5 1HB ASP 5 -4.661 0.388 2.941 22 2HB ASP 5 2HB ASP 5 -6.111 1.348 2.694 23 HA PRO 6 HA PRO 6 -2.384 3.687 -0.409 24 1HB PRO 6 1HB PRO 6 -3.474 6.278 0.042 25 2HB PRO 6 2HB PRO 6 -3.587 5.369 -1.459 26 1HG PRO 6 1HG PRO 6 -5.664 5.833 0.595 27 2HG PRO 6 2HG PRO 6 -5.856 5.381 -1.091 28 1HD PRO 6 1HD PRO 6 -6.147 3.641 1.146 29 2HD PRO 6 2HD PRO 6 -6.042 3.151 -0.556 30 H ARG 7 H ARG 7 -3.548 3.381 2.617 31 HA ARG 7 HA ARG 7 -2.241 5.317 4.188 32 1HB ARG 7 1HB ARG 7 -2.269 3.561 5.986 33 2HB ARG 7 2HB ARG 7 -3.804 3.657 5.146 34 1HG ARG 7 1HG ARG 7 -3.138 1.705 3.710 35 2HG ARG 7 2HG ARG 7 -1.620 1.587 4.576 36 1HD ARG 7 1HD ARG 7 -4.342 1.294 5.895 37 2HD ARG 7 2HD ARG 7 -3.289 -0.036 5.410 38 HE ARG 7 HE ARG 7 -1.968 1.927 7.124 39 1HH1 ARG 7 1HH1 ARG 7 -3.924 -0.935 7.007 40 2HH1 ARG 7 2HH1 ARG 7 -3.439 -1.463 8.583 41 1HH2 ARG 7 1HH2 ARG 7 -1.349 1.278 9.118 42 2HH2 ARG 7 2HH2 ARG 7 -1.962 -0.193 9.796 43 H CYS 8 H CYS 8 -1.075 2.475 2.586 44 HA CYS 8 HA CYS 8 1.696 2.778 3.578 45 1HB CYS 8 1HB CYS 8 -0.016 0.681 2.903 46 2HB CYS 8 2HB CYS 8 1.132 0.700 1.626 47 H ALA 9 H ALA 9 0.084 2.177 0.534 48 HA ALA 9 HA ALA 9 0.468 2.735 -1.647 49 1HB ALA 9 1HB ALA 9 -0.222 4.925 -0.794 50 2HB ALA 9 2HB ALA 9 1.428 5.311 -0.330 51 3HB ALA 9 3HB ALA 9 1.004 5.153 -2.027 52 H TRP 10 H TRP 10 2.662 1.246 -0.550 53 HA TRP 10 HA TRP 10 5.088 2.466 -1.708 54 1HB TRP 10 1HB TRP 10 6.207 0.280 -0.877 55 2HB TRP 10 2HB TRP 10 5.528 1.316 0.360 56 HD1 TRP 10 HD1 TRP 10 3.204 0.677 1.401 57 HE1 TRP 10 HE1 TRP 10 2.147 -1.587 1.712 58 HE3 TRP 10 HE3 TRP 10 5.948 -2.044 -1.838 59 HZ2 TRP 10 HZ2 TRP 10 2.368 -4.255 0.761 60 HZ3 TRP 10 HZ3 TRP 10 5.520 -4.452 -2.131 61 HH2 TRP 10 HH2 TRP 10 3.732 -5.564 -0.835 62 H ARG 11 H ARG 11 3.090 2.011 -3.500 63 HA ARG 11 HA ARG 11 2.639 1.173 -5.612 64 1HB ARG 11 1HB ARG 11 5.550 0.215 -5.505 65 2HB ARG 11 2HB ARG 11 4.595 0.418 -6.951 66 1HG ARG 11 1HG ARG 11 5.379 2.668 -5.046 67 2HG ARG 11 2HG ARG 11 6.135 2.338 -6.585 68 1HD ARG 11 1HD ARG 11 3.220 3.173 -6.183 69 2HD ARG 11 2HD ARG 11 4.498 4.172 -6.846 70 HE ARG 11 HE ARG 11 3.044 2.082 -8.255 71 1HH1 ARG 11 1HH1 ARG 11 6.023 3.848 -8.070 72 2HH1 ARG 11 2HH1 ARG 11 6.411 3.583 -9.737 73 1HH2 ARG 11 1HH2 ARG 11 3.515 1.736 -10.358 74 2HH2 ARG 11 2HH2 ARG 11 4.970 2.368 -11.053 75 H CYS 12 H CYS 12 2.819 -0.698 -3.089 76 HA CYS 12 HA CYS 12 2.280 -2.878 -2.545 77 1HB CYS 12 1HB CYS 12 1.038 -2.754 -5.320 78 2HB CYS 12 2HB CYS 12 0.712 -3.994 -4.148 79 1HN NH2 13 1HN NH2 13 2.252 -5.318 -3.701 80 2HN NH2 13 2HN NH2 13 3.741 -5.684 -4.426 Start of MODEL 10 1 2H GLY 1 2H GLY 1 -4.388 -6.752 1.248 2 1H GLY 1 1H GLY 1 -4.771 -5.175 1.744 3 3H GLY 1 3H GLY 1 -4.464 -6.377 2.904 4 1HA GLY 1 1HA GLY 1 -2.207 -6.387 2.531 5 2HA GLY 1 2HA GLY 1 -2.403 -5.671 0.929 6 H CYS 2 H CYS 2 -0.577 -4.476 2.293 7 HA CYS 2 HA CYS 2 -1.598 -2.289 3.986 8 1HB CYS 2 1HB CYS 2 0.641 -3.482 4.270 9 2HB CYS 2 2HB CYS 2 1.180 -2.688 2.817 10 H CYS 3 H CYS 3 0.301 -2.336 0.985 11 HA CYS 3 HA CYS 3 -0.469 0.350 0.246 12 1HB CYS 3 1HB CYS 3 1.453 -0.176 -0.818 13 2HB CYS 3 2HB CYS 3 1.079 -1.850 -1.032 14 H SER 4 H SER 4 -2.147 -2.602 -0.073 15 HA SER 4 HA SER 4 -3.657 -2.123 -2.445 16 1HB SER 4 1HB SER 4 -5.352 -3.684 -1.401 17 2HB SER 4 2HB SER 4 -3.716 -4.302 -1.131 18 HG SER 4 HG SER 4 -3.878 -2.833 0.833 19 H ASP 5 H ASP 5 -3.579 -0.676 0.576 20 HA ASP 5 HA ASP 5 -5.864 1.150 0.025 21 1HB ASP 5 1HB ASP 5 -4.922 0.160 2.766 22 2HB ASP 5 2HB ASP 5 -6.362 1.114 2.437 23 HA PRO 6 HA PRO 6 -2.504 3.745 -0.250 24 1HB PRO 6 1HB PRO 6 -3.580 6.282 0.325 25 2HB PRO 6 2HB PRO 6 -3.814 5.402 -1.179 26 1HG PRO 6 1HG PRO 6 -5.688 5.731 1.123 27 2HG PRO 6 2HG PRO 6 -6.054 5.510 -0.582 28 1HD PRO 6 1HD PRO 6 -6.233 3.477 1.374 29 2HD PRO 6 2HD PRO 6 -6.139 3.215 -0.374 30 H ARG 7 H ARG 7 -3.449 3.311 2.902 31 HA ARG 7 HA ARG 7 -1.972 5.344 4.255 32 1HB ARG 7 1HB ARG 7 -1.896 3.856 6.207 33 2HB ARG 7 2HB ARG 7 -3.479 3.775 5.491 34 1HG ARG 7 1HG ARG 7 -1.368 1.679 4.797 35 2HG ARG 7 2HG ARG 7 -2.287 1.548 6.267 36 1HD ARG 7 1HD ARG 7 -3.535 1.684 3.501 37 2HD ARG 7 2HD ARG 7 -3.282 0.232 4.439 38 HE ARG 7 HE ARG 7 -4.870 1.024 6.089 39 1HH1 ARG 7 1HH1 ARG 7 -4.732 2.962 3.191 40 2HH1 ARG 7 2HH1 ARG 7 -6.267 3.686 3.500 41 1HH2 ARG 7 1HH2 ARG 7 -6.802 1.930 6.451 42 2HH2 ARG 7 2HH2 ARG 7 -7.457 3.094 5.349 43 H CYS 8 H CYS 8 -1.009 2.503 2.577 44 HA CYS 8 HA CYS 8 1.817 2.672 3.466 45 1HB CYS 8 1HB CYS 8 0.027 0.631 2.840 46 2HB CYS 8 2HB CYS 8 1.080 0.669 1.483 47 H ALA 9 H ALA 9 0.074 2.155 0.481 48 HA ALA 9 HA ALA 9 0.411 2.721 -1.708 49 1HB ALA 9 1HB ALA 9 -0.348 4.873 -0.806 50 2HB ALA 9 2HB ALA 9 1.297 5.317 -0.377 51 3HB ALA 9 3HB ALA 9 0.836 5.166 -2.066 52 H TRP 10 H TRP 10 2.695 1.343 -0.609 53 HA TRP 10 HA TRP 10 5.033 2.656 -1.835 54 1HB TRP 10 1HB TRP 10 6.327 0.656 -0.945 55 2HB TRP 10 2HB TRP 10 5.462 1.536 0.301 56 HD1 TRP 10 HD1 TRP 10 3.075 0.551 1.045 57 HE1 TRP 10 HE1 TRP 10 2.380 -1.863 1.256 58 HE3 TRP 10 HE3 TRP 10 6.600 -1.621 -1.805 59 HZ2 TRP 10 HZ2 TRP 10 3.169 -4.452 0.356 60 HZ3 TRP 10 HZ3 TRP 10 6.633 -4.066 -2.130 61 HH2 TRP 10 HH2 TRP 10 4.920 -5.484 -1.052 62 H ARG 11 H ARG 11 3.013 2.036 -3.560 63 HA ARG 11 HA ARG 11 2.549 1.103 -5.633 64 1HB ARG 11 1HB ARG 11 5.543 0.451 -5.595 65 2HB ARG 11 2HB ARG 11 4.523 0.485 -7.018 66 1HG ARG 11 1HG ARG 11 4.051 2.887 -6.668 67 2HG ARG 11 2HG ARG 11 5.023 2.883 -5.207 68 1HD ARG 11 1HD ARG 11 7.033 2.221 -6.571 69 2HD ARG 11 2HD ARG 11 6.037 2.282 -8.020 70 HE ARG 11 HE ARG 11 6.138 4.619 -7.959 71 1HH1 ARG 11 1HH1 ARG 11 7.124 3.291 -4.910 72 2HH1 ARG 11 2HH1 ARG 11 7.650 4.820 -4.290 73 1HH2 ARG 11 1HH2 ARG 11 6.795 6.560 -7.191 74 2HH2 ARG 11 2HH2 ARG 11 7.461 6.696 -5.597 75 H CYS 12 H CYS 12 2.859 -0.651 -3.092 76 HA CYS 12 HA CYS 12 2.540 -2.854 -2.463 77 1HB CYS 12 1HB CYS 12 1.333 -2.959 -5.255 78 2HB CYS 12 2HB CYS 12 1.109 -4.178 -4.037 79 1HN NH2 13 1HN NH2 13 5.058 -2.184 -4.216 80 2HN NH2 13 2HN NH2 13 5.639 -3.724 -4.632
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