NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624107 | 6f3w | 34207 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 1.429 0.298 -2.040 3 HB2 ARG 1 2HB ARG 1 3.875 0.884 -2.027 4 HB3 ARG 1 3HB ARG 1 2.841 2.000 -1.145 5 HG2 ARG 1 2HG ARG 1 3.914 -0.144 0.515 6 HG3 ARG 1 3HG ARG 1 5.153 0.885 -0.208 7 HD2 ARG 1 2HD ARG 1 2.757 1.973 1.253 8 HD3 ARG 1 3HD ARG 1 4.285 1.608 2.053 9 HE ARG 1 HE ARG 1 4.801 3.262 -0.147 10 HH11 ARG 1 1HH1 ARG 1 3.250 3.380 2.968 11 HH12 ARG 1 2HH1 ARG 1 3.546 5.072 3.196 12 HH21 ARG 1 1HH2 ARG 1 5.197 5.490 0.143 13 HH22 ARG 1 2HH2 ARG 1 4.653 6.271 1.588 14 HA PRO 2 HA PRO 2 2.644 -4.154 -1.477 15 HB2 PRO 2 2HB PRO 2 0.821 -5.120 -3.242 16 HB3 PRO 2 3HB PRO 2 0.453 -4.843 -1.535 17 HG2 PRO 2 2HG PRO 2 -0.161 -3.125 -3.909 18 HG3 PRO 2 3HG PRO 2 -1.192 -3.529 -2.524 19 HD2 PRO 2 2HD PRO 2 0.124 -1.171 -2.722 20 HD3 PRO 2 3HD PRO 2 -0.194 -1.959 -1.163 21 HA PRO 3 HA PRO 3 5.109 -4.460 -5.105 22 HB2 PRO 3 2HB PRO 3 5.048 -7.119 -5.651 23 HB3 PRO 3 3HB PRO 3 5.929 -6.440 -4.277 24 HG2 PRO 3 2HG PRO 3 3.232 -7.737 -4.343 25 HG3 PRO 3 3HG PRO 3 4.543 -7.943 -3.168 26 HD2 PRO 3 2HD PRO 3 2.396 -6.363 -2.693 27 HD3 PRO 3 3HD PRO 3 4.008 -6.004 -2.043 28 H GLY 4 H GLY 4 4.914 -4.242 -7.275 29 HA2 GLY 4 2HA GLY 4 4.023 -4.407 -9.401 30 HA3 GLY 4 3HA GLY 4 2.913 -5.628 -8.796 31 H PHE 5 H PHE 5 3.029 -2.622 -7.124 32 HA PHE 5 HA PHE 5 0.284 -2.104 -7.615 33 HB2 PHE 5 2HB PHE 5 1.649 -1.435 -5.565 34 HB3 PHE 5 3HB PHE 5 2.271 -0.107 -6.539 35 HD1 PHE 5 HD1 PHE 5 1.329 1.877 -5.891 36 HD2 PHE 5 HD2 PHE 5 -1.121 -1.598 -6.096 37 HE1 PHE 5 HE1 PHE 5 -0.638 3.232 -5.298 38 HE2 PHE 5 HE2 PHE 5 -3.092 -0.248 -5.505 39 HZ PHE 5 HZ PHE 5 -2.851 2.171 -5.106 40 H SER 6 H SER 6 -0.654 -0.274 -8.662 41 HA SER 6 HA SER 6 0.975 0.715 -10.909 42 HB2 SER 6 2HB SER 6 -0.758 0.351 -12.316 43 HB3 SER 6 3HB SER 6 -1.367 -0.705 -11.042 44 HG SER 6 HG SER 6 -3.004 0.598 -10.972 45 HA PRO 7 HA PRO 7 0.433 4.886 -9.665 46 HB2 PRO 7 2HB PRO 7 0.047 6.158 -12.032 47 HB3 PRO 7 3HB PRO 7 1.612 5.499 -11.539 48 HG2 PRO 7 2HG PRO 7 -0.444 4.329 -13.374 49 HG3 PRO 7 3HG PRO 7 1.318 4.383 -13.558 50 HD2 PRO 7 2HD PRO 7 0.010 2.171 -12.706 51 HD3 PRO 7 3HD PRO 7 1.646 2.584 -12.155 52 H PHE 8 H PHE 8 -1.098 6.451 -9.191 53 HA PHE 8 HA PHE 8 -3.810 6.009 -10.245 54 HB2 PHE 8 2HB PHE 8 -3.174 5.257 -7.751 55 HB3 PHE 8 3HB PHE 8 -3.539 6.951 -7.439 56 HD1 PHE 8 HD1 PHE 8 -5.642 7.272 -6.607 57 HD2 PHE 8 HD2 PHE 8 -5.036 4.257 -9.550 58 HE1 PHE 8 HE1 PHE 8 -8.045 6.746 -6.558 59 HE2 PHE 8 HE2 PHE 8 -7.438 3.727 -9.507 60 HZ PHE 8 HZ PHE 8 -8.946 4.972 -8.010 61 H ARG 9 H ARG 9 -5.243 7.894 -9.989 62 HA ARG 9 HA ARG 9 -5.739 10.090 -10.309 63 HB2 ARG 9 2HB ARG 9 -4.417 10.131 -8.047 64 HB3 ARG 9 3HB ARG 9 -3.163 10.899 -9.012 65 HG2 ARG 9 2HG ARG 9 -5.480 12.272 -9.678 66 HG3 ARG 9 3HG ARG 9 -5.605 12.002 -7.938 67 HD2 ARG 9 2HD ARG 9 -3.725 13.240 -7.474 68 HD3 ARG 9 3HD ARG 9 -3.018 12.959 -9.065 69 HE ARG 9 HE ARG 9 -5.351 14.499 -9.351 70 HH11 ARG 9 1HH1 ARG 9 -2.104 14.743 -8.118 71 HH12 ARG 9 2HH1 ARG 9 -1.984 16.447 -8.405 72 HH21 ARG 9 1HH2 ARG 9 -5.205 16.743 -9.732 73 HH22 ARG 9 2HH2 ARG 9 -3.749 17.584 -9.322 Start of MODEL 2 1 H1 ARG 1 H ARG 1 1.355 -0.590 0.357 2 HA ARG 1 HA ARG 1 1.989 -0.384 -1.818 3 HB2 ARG 1 2HB ARG 1 4.727 -0.044 -0.582 4 HB3 ARG 1 3HB ARG 1 4.357 0.240 -2.277 5 HG2 ARG 1 2HG ARG 1 4.149 2.365 -1.556 6 HG3 ARG 1 3HG ARG 1 2.513 1.825 -1.171 7 HD2 ARG 1 2HD ARG 1 4.186 1.134 1.009 8 HD3 ARG 1 3HD ARG 1 4.530 2.810 0.581 9 HE ARG 1 HE ARG 1 2.175 1.817 1.833 10 HH11 ARG 1 1HH1 ARG 1 3.351 4.241 -0.372 11 HH12 ARG 1 2HH1 ARG 1 2.069 5.356 -0.034 12 HH21 ARG 1 1HH2 ARG 1 0.482 3.277 2.286 13 HH22 ARG 1 2HH2 ARG 1 0.438 4.807 1.478 14 HA PRO 2 HA PRO 2 3.279 -4.865 -1.730 15 HB2 PRO 2 2HB PRO 2 1.071 -5.783 -3.017 16 HB3 PRO 2 3HB PRO 2 1.145 -5.579 -1.263 17 HG2 PRO 2 2HG PRO 2 -0.052 -3.775 -3.330 18 HG3 PRO 2 3HG PRO 2 -0.699 -4.248 -1.748 19 HD2 PRO 2 2HD PRO 2 0.519 -1.867 -2.172 20 HD3 PRO 2 3HD PRO 2 0.607 -2.721 -0.618 21 HA PRO 3 HA PRO 3 4.747 -4.992 -5.873 22 HB2 PRO 3 2HB PRO 3 4.557 -7.627 -6.498 23 HB3 PRO 3 3HB PRO 3 5.755 -6.992 -5.363 24 HG2 PRO 3 2HG PRO 3 3.132 -8.321 -4.802 25 HG3 PRO 3 3HG PRO 3 4.699 -8.556 -4.005 26 HD2 PRO 3 2HD PRO 3 2.737 -7.026 -2.937 27 HD3 PRO 3 3HD PRO 3 4.460 -6.671 -2.700 28 H GLY 4 H GLY 4 4.064 -4.828 -7.971 29 HA2 GLY 4 2HA GLY 4 2.665 -5.019 -9.811 30 HA3 GLY 4 3HA GLY 4 1.631 -6.086 -8.873 31 H PHE 5 H PHE 5 2.462 -3.059 -7.467 32 HA PHE 5 HA PHE 5 -0.310 -2.230 -7.582 33 HB2 PHE 5 2HB PHE 5 1.317 -2.051 -5.559 34 HB3 PHE 5 3HB PHE 5 1.899 -0.599 -6.366 35 HD1 PHE 5 HD1 PHE 5 0.774 1.424 -6.123 36 HD2 PHE 5 HD2 PHE 5 -1.166 -2.202 -5.026 37 HE1 PHE 5 HE1 PHE 5 -1.070 2.715 -5.131 38 HE2 PHE 5 HE2 PHE 5 -3.014 -0.917 -4.033 39 HZ PHE 5 HZ PHE 5 -2.968 1.545 -4.085 40 H SER 6 H SER 6 -1.055 -0.260 -8.428 41 HA SER 6 HA SER 6 0.667 0.852 -10.541 42 HB2 SER 6 2HB SER 6 -1.116 0.901 -11.935 43 HB3 SER 6 3HB SER 6 -1.819 -0.258 -10.807 44 HG SER 6 HG SER 6 -3.322 1.213 -10.658 45 HA PRO 7 HA PRO 7 0.643 4.852 -8.743 46 HB2 PRO 7 2HB PRO 7 0.385 6.467 -10.910 47 HB3 PRO 7 3HB PRO 7 1.865 5.569 -10.552 48 HG2 PRO 7 2HG PRO 7 -0.337 4.905 -12.468 49 HG3 PRO 7 3HG PRO 7 1.417 4.776 -12.692 50 HD2 PRO 7 2HD PRO 7 -0.137 2.639 -12.103 51 HD3 PRO 7 3HD PRO 7 1.543 2.780 -11.547 52 H PHE 8 H PHE 8 -0.636 6.705 -8.241 53 HA PHE 8 HA PHE 8 -3.481 6.190 -8.445 54 HB2 PHE 8 2HB PHE 8 -3.748 7.903 -6.781 55 HB3 PHE 8 3HB PHE 8 -2.386 6.896 -6.301 56 HD1 PHE 8 HD1 PHE 8 -3.439 10.190 -7.447 57 HD2 PHE 8 HD2 PHE 8 -0.112 7.750 -6.399 58 HE1 PHE 8 HE1 PHE 8 -2.021 12.195 -7.293 59 HE2 PHE 8 HE2 PHE 8 1.311 9.751 -6.243 60 HZ PHE 8 HZ PHE 8 0.357 11.977 -6.689 61 H ARG 9 H ARG 9 -4.851 8.325 -8.661 62 HA ARG 9 HA ARG 9 -5.704 9.856 -10.112 63 HB2 ARG 9 2HB ARG 9 -3.827 11.187 -9.195 64 HB3 ARG 9 3HB ARG 9 -2.798 10.599 -10.493 65 HG2 ARG 9 2HG ARG 9 -3.407 12.567 -11.419 66 HG3 ARG 9 3HG ARG 9 -4.773 11.595 -11.971 67 HD2 ARG 9 2HD ARG 9 -4.891 13.020 -9.343 68 HD3 ARG 9 3HD ARG 9 -5.207 13.893 -10.842 69 HE ARG 9 HE ARG 9 -6.754 11.547 -10.793 70 HH11 ARG 9 1HH1 ARG 9 -6.520 14.648 -9.228 71 HH12 ARG 9 2HH1 ARG 9 -8.212 14.738 -8.864 72 HH21 ARG 9 1HH2 ARG 9 -8.983 11.654 -10.320 73 HH22 ARG 9 2HH2 ARG 9 -9.611 13.034 -9.485 Start of MODEL 3 1 H1 ARG 1 H ARG 1 1.862 0.560 0.129 2 HA ARG 1 HA ARG 1 0.824 0.930 -2.564 3 HB2 ARG 1 2HB ARG 1 3.170 2.422 -1.435 4 HB3 ARG 1 3HB ARG 1 3.121 2.014 -3.145 5 HG2 ARG 1 2HG ARG 1 1.994 3.898 -3.450 6 HG3 ARG 1 3HG ARG 1 0.632 3.119 -2.641 7 HD2 ARG 1 2HD ARG 1 0.804 4.922 -1.283 8 HD3 ARG 1 3HD ARG 1 2.013 3.912 -0.493 9 HE ARG 1 HE ARG 1 3.386 5.304 -2.414 10 HH11 ARG 1 1HH1 ARG 1 1.393 6.124 0.320 11 HH12 ARG 1 2HH1 ARG 1 2.217 7.614 0.639 12 HH21 ARG 1 1HH2 ARG 1 4.479 7.264 -2.004 13 HH22 ARG 1 2HH2 ARG 1 3.971 8.262 -0.684 14 HA PRO 2 HA PRO 2 3.385 -2.902 -1.879 15 HB2 PRO 2 2HB PRO 2 1.535 -4.615 -2.885 16 HB3 PRO 2 3HB PRO 2 1.562 -4.117 -1.190 17 HG2 PRO 2 2HG PRO 2 -0.133 -3.097 -3.436 18 HG3 PRO 2 3HG PRO 2 -0.597 -3.474 -1.767 19 HD2 PRO 2 2HD PRO 2 -0.139 -0.944 -2.616 20 HD3 PRO 2 3HD PRO 2 0.211 -1.472 -0.957 21 HA PRO 3 HA PRO 3 4.789 -3.268 -6.030 22 HB2 PRO 3 2HB PRO 3 5.378 -5.910 -6.235 23 HB3 PRO 3 3HB PRO 3 6.346 -4.781 -5.280 24 HG2 PRO 3 2HG PRO 3 4.236 -6.702 -4.376 25 HG3 PRO 3 3HG PRO 3 5.810 -6.342 -3.642 26 HD2 PRO 3 2HD PRO 3 3.494 -5.293 -2.711 27 HD3 PRO 3 3HD PRO 3 5.038 -4.422 -2.627 28 H GLY 4 H GLY 4 4.107 -3.707 -8.101 29 HA2 GLY 4 2HA GLY 4 2.869 -4.830 -9.765 30 HA3 GLY 4 3HA GLY 4 1.935 -5.621 -8.504 31 H PHE 5 H PHE 5 1.606 -2.914 -7.179 32 HA PHE 5 HA PHE 5 -0.805 -2.202 -8.624 33 HB2 PHE 5 2HB PHE 5 0.227 -1.852 -5.903 34 HB3 PHE 5 3HB PHE 5 -0.621 -0.438 -6.520 35 HD1 PHE 5 HD1 PHE 5 -1.113 -4.137 -6.683 36 HD2 PHE 5 HD2 PHE 5 -2.804 -0.320 -5.856 37 HE1 PHE 5 HE1 PHE 5 -3.266 -5.208 -6.162 38 HE2 PHE 5 HE2 PHE 5 -4.959 -1.384 -5.333 39 HZ PHE 5 HZ PHE 5 -5.192 -3.831 -5.484 40 H SER 6 H SER 6 -1.330 0.019 -9.152 41 HA SER 6 HA SER 6 1.061 1.577 -9.888 42 HB2 SER 6 2HB SER 6 -1.169 0.669 -11.467 43 HB3 SER 6 3HB SER 6 -1.117 2.432 -11.467 44 HG SER 6 HG SER 6 0.395 2.185 -12.899 45 HA PRO 7 HA PRO 7 -0.390 5.043 -7.624 46 HB2 PRO 7 2HB PRO 7 0.253 7.117 -9.253 47 HB3 PRO 7 3HB PRO 7 1.462 6.182 -8.365 48 HG2 PRO 7 2HG PRO 7 0.619 5.954 -11.229 49 HG3 PRO 7 3HG PRO 7 2.251 5.908 -10.536 50 HD2 PRO 7 2HD PRO 7 0.912 3.669 -11.260 51 HD3 PRO 7 3HD PRO 7 2.056 3.700 -9.902 52 H PHE 8 H PHE 8 -2.186 6.288 -7.333 53 HA PHE 8 HA PHE 8 -4.224 6.138 -9.417 54 HB2 PHE 8 2HB PHE 8 -4.386 6.924 -6.502 55 HB3 PHE 8 3HB PHE 8 -5.760 6.920 -7.603 56 HD1 PHE 8 HD1 PHE 8 -3.136 4.720 -6.169 57 HD2 PHE 8 HD2 PHE 8 -7.007 4.987 -7.916 58 HE1 PHE 8 HE1 PHE 8 -3.524 2.343 -5.664 59 HE2 PHE 8 HE2 PHE 8 -7.402 2.611 -7.414 60 HZ PHE 8 HZ PHE 8 -5.660 1.286 -6.285 61 H ARG 9 H ARG 9 -3.964 7.740 -10.867 62 HA ARG 9 HA ARG 9 -4.554 10.417 -10.092 63 HB2 ARG 9 2HB ARG 9 -1.828 9.703 -10.029 64 HB3 ARG 9 3HB ARG 9 -2.049 10.652 -11.492 65 HG2 ARG 9 2HG ARG 9 -2.774 12.531 -10.304 66 HG3 ARG 9 3HG ARG 9 -3.082 11.593 -8.841 67 HD2 ARG 9 2HD ARG 9 -0.662 11.184 -8.626 68 HD3 ARG 9 3HD ARG 9 -0.383 12.180 -10.054 69 HE ARG 9 HE ARG 9 -0.680 14.053 -8.767 70 HH11 ARG 9 1HH1 ARG 9 -1.836 11.267 -7.028 71 HH12 ARG 9 2HH1 ARG 9 -2.071 12.129 -5.544 72 HH21 ARG 9 1HH2 ARG 9 -0.986 15.199 -6.819 73 HH22 ARG 9 2HH2 ARG 9 -1.589 14.366 -5.426 Start of MODEL 4 1 H1 ARG 1 H ARG 1 0.785 0.584 1.296 2 HA ARG 1 HA ARG 1 0.302 0.119 -1.441 3 HB2 ARG 1 2HB ARG 1 1.312 2.194 -0.435 4 HB3 ARG 1 3HB ARG 1 2.808 1.292 -0.234 5 HG2 ARG 1 2HG ARG 1 2.339 0.851 -2.848 6 HG3 ARG 1 3HG ARG 1 1.598 2.441 -2.655 7 HD2 ARG 1 2HD ARG 1 3.685 3.196 -3.008 8 HD3 ARG 1 3HD ARG 1 3.920 2.792 -1.307 9 HE ARG 1 HE ARG 1 4.453 0.559 -2.983 10 HH11 ARG 1 1HH1 ARG 1 5.789 3.574 -1.866 11 HH12 ARG 1 2HH1 ARG 1 7.434 3.072 -2.074 12 HH21 ARG 1 1HH2 ARG 1 6.614 -0.113 -3.261 13 HH22 ARG 1 2HH2 ARG 1 7.902 0.975 -2.869 14 HA PRO 2 HA PRO 2 2.872 -3.722 -0.937 15 HB2 PRO 2 2HB PRO 2 1.229 -5.300 -2.413 16 HB3 PRO 2 3HB PRO 2 1.004 -5.035 -0.680 17 HG2 PRO 2 2HG PRO 2 -0.387 -3.736 -2.991 18 HG3 PRO 2 3HG PRO 2 -1.069 -4.339 -1.469 19 HD2 PRO 2 2HD PRO 2 -0.568 -1.713 -1.903 20 HD3 PRO 2 3HD PRO 2 -0.439 -2.457 -0.296 21 HA PRO 3 HA PRO 3 4.852 -3.513 -4.857 22 HB2 PRO 3 2HB PRO 3 5.537 -6.099 -5.323 23 HB3 PRO 3 3HB PRO 3 6.331 -5.100 -4.099 24 HG2 PRO 3 2HG PRO 3 4.169 -7.144 -3.766 25 HG3 PRO 3 3HG PRO 3 5.614 -6.872 -2.774 26 HD2 PRO 3 2HD PRO 3 3.162 -5.978 -2.053 27 HD3 PRO 3 3HD PRO 3 4.655 -5.113 -1.636 28 H GLY 4 H GLY 4 4.458 -3.649 -7.036 29 HA2 GLY 4 2HA GLY 4 3.509 -4.596 -8.990 30 HA3 GLY 4 3HA GLY 4 2.393 -5.502 -7.979 31 H PHE 5 H PHE 5 1.958 -2.874 -6.453 32 HA PHE 5 HA PHE 5 -0.306 -2.043 -8.037 33 HB2 PHE 5 2HB PHE 5 -0.183 -2.297 -5.460 34 HB3 PHE 5 3HB PHE 5 0.583 -0.712 -5.493 35 HD1 PHE 5 HD1 PHE 5 -0.799 1.061 -5.082 36 HD2 PHE 5 HD2 PHE 5 -2.385 -2.367 -7.045 37 HE1 PHE 5 HE1 PHE 5 -3.014 2.130 -5.152 38 HE2 PHE 5 HE2 PHE 5 -4.602 -1.303 -7.119 39 HZ PHE 5 HZ PHE 5 -4.919 0.949 -6.173 40 H SER 6 H SER 6 -0.667 -0.014 -8.915 41 HA SER 6 HA SER 6 1.769 1.553 -9.400 42 HB2 SER 6 2HB SER 6 1.037 1.900 -11.511 43 HB3 SER 6 3HB SER 6 -0.060 0.558 -11.187 44 HG SER 6 HG SER 6 -1.690 1.904 -11.079 45 HA PRO 7 HA PRO 7 0.343 5.078 -7.214 46 HB2 PRO 7 2HB PRO 7 1.125 7.121 -8.823 47 HB3 PRO 7 3HB PRO 7 2.263 6.151 -7.881 48 HG2 PRO 7 2HG PRO 7 1.534 5.935 -10.776 49 HG3 PRO 7 3HG PRO 7 3.132 5.838 -10.015 50 HD2 PRO 7 2HD PRO 7 1.749 3.641 -10.786 51 HD3 PRO 7 3HD PRO 7 2.835 3.641 -9.381 52 H PHE 8 H PHE 8 -1.471 6.279 -6.980 53 HA PHE 8 HA PHE 8 -3.372 6.270 -9.198 54 HB2 PHE 8 2HB PHE 8 -3.625 5.870 -6.431 55 HB3 PHE 8 3HB PHE 8 -4.396 7.420 -6.752 56 HD1 PHE 8 HD1 PHE 8 -5.016 4.061 -6.437 57 HD2 PHE 8 HD2 PHE 8 -5.877 7.322 -9.034 58 HE1 PHE 8 HE1 PHE 8 -7.024 2.887 -7.239 59 HE2 PHE 8 HE2 PHE 8 -7.887 6.154 -9.839 60 HZ PHE 8 HZ PHE 8 -8.464 3.934 -8.941 61 H ARG 9 H ARG 9 -2.803 7.941 -10.521 62 HA ARG 9 HA ARG 9 -2.629 10.076 -11.285 63 HB2 ARG 9 2HB ARG 9 -4.881 10.120 -10.007 64 HB3 ARG 9 3HB ARG 9 -3.998 11.025 -8.785 65 HG2 ARG 9 2HG ARG 9 -3.551 12.092 -11.436 66 HG3 ARG 9 3HG ARG 9 -5.265 12.054 -11.017 67 HD2 ARG 9 2HD ARG 9 -4.461 13.075 -8.764 68 HD3 ARG 9 3HD ARG 9 -3.016 13.502 -9.680 69 HE ARG 9 HE ARG 9 -5.062 14.409 -11.224 70 HH11 ARG 9 1HH1 ARG 9 -4.124 14.878 -7.904 71 HH12 ARG 9 2HH1 ARG 9 -4.781 16.478 -7.808 72 HH21 ARG 9 1HH2 ARG 9 -5.931 16.515 -11.110 73 HH22 ARG 9 2HH2 ARG 9 -5.810 17.408 -9.632 Start of MODEL 5 1 H1 ARG 1 H ARG 1 0.385 -1.348 1.222 2 HA ARG 1 HA ARG 1 0.689 -1.169 -1.354 3 HB2 ARG 1 2HB ARG 1 2.762 -0.431 0.698 4 HB3 ARG 1 3HB ARG 1 2.987 -0.050 -1.004 5 HG2 ARG 1 2HG ARG 1 0.589 1.001 -0.744 6 HG3 ARG 1 3HG ARG 1 1.059 1.075 0.956 7 HD2 ARG 1 2HD ARG 1 3.274 2.088 -0.075 8 HD3 ARG 1 3HD ARG 1 2.185 2.502 -1.399 9 HE ARG 1 HE ARG 1 2.243 3.667 1.236 10 HH11 ARG 1 1HH1 ARG 1 0.345 3.106 -1.628 11 HH12 ARG 1 2HH1 ARG 1 -0.717 4.445 -1.344 12 HH21 ARG 1 1HH2 ARG 1 0.851 5.433 1.620 13 HH22 ARG 1 2HH2 ARG 1 -0.428 5.769 0.503 14 HA PRO 2 HA PRO 2 3.139 -5.107 -1.786 15 HB2 PRO 2 2HB PRO 2 1.593 -6.138 -3.765 16 HB3 PRO 2 3HB PRO 2 1.240 -6.372 -2.049 17 HG2 PRO 2 2HG PRO 2 0.047 -4.419 -3.978 18 HG3 PRO 2 3HG PRO 2 -0.758 -5.407 -2.745 19 HD2 PRO 2 2HD PRO 2 -0.189 -2.787 -2.369 20 HD3 PRO 2 3HD PRO 2 -0.193 -3.963 -1.040 21 HA PRO 3 HA PRO 3 5.416 -3.855 -5.334 22 HB2 PRO 3 2HB PRO 3 6.100 -6.221 -6.475 23 HB3 PRO 3 3HB PRO 3 6.811 -5.643 -4.964 24 HG2 PRO 3 2HG PRO 3 4.602 -7.620 -5.384 25 HG3 PRO 3 3HG PRO 3 5.971 -7.694 -4.258 26 HD2 PRO 3 2HD PRO 3 3.483 -6.958 -3.481 27 HD3 PRO 3 3HD PRO 3 4.951 -6.301 -2.731 28 H GLY 4 H GLY 4 4.960 -3.127 -7.329 29 HA2 GLY 4 2HA GLY 4 4.164 -3.254 -9.538 30 HA3 GLY 4 3HA GLY 4 3.248 -4.689 -9.101 31 H PHE 5 H PHE 5 3.012 -1.978 -7.000 32 HA PHE 5 HA PHE 5 0.213 -1.776 -7.348 33 HB2 PHE 5 2HB PHE 5 0.321 0.072 -5.785 34 HB3 PHE 5 3HB PHE 5 1.405 -1.205 -5.243 35 HD1 PHE 5 HD1 PHE 5 1.203 2.154 -6.697 36 HD2 PHE 5 HD2 PHE 5 3.779 -0.883 -5.194 37 HE1 PHE 5 HE1 PHE 5 3.054 3.772 -6.610 38 HE2 PHE 5 HE2 PHE 5 5.634 0.731 -5.104 39 HZ PHE 5 HZ PHE 5 5.273 3.062 -5.812 40 H SER 6 H SER 6 -1.027 -0.029 -8.161 41 HA SER 6 HA SER 6 0.318 1.412 -10.344 42 HB2 SER 6 2HB SER 6 -2.389 1.700 -10.788 43 HB3 SER 6 3HB SER 6 -1.355 0.486 -11.540 44 HG SER 6 HG SER 6 -1.997 -0.992 -10.027 45 HA PRO 7 HA PRO 7 -0.449 5.352 -8.577 46 HB2 PRO 7 2HB PRO 7 -1.154 6.836 -10.738 47 HB3 PRO 7 3HB PRO 7 0.498 6.274 -10.457 48 HG2 PRO 7 2HG PRO 7 -1.614 5.128 -12.243 49 HG3 PRO 7 3HG PRO 7 0.114 5.365 -12.562 50 HD2 PRO 7 2HD PRO 7 -0.924 2.961 -11.872 51 HD3 PRO 7 3HD PRO 7 0.716 3.461 -11.412 52 H PHE 8 H PHE 8 -2.055 6.767 -7.860 53 HA PHE 8 HA PHE 8 -4.812 6.026 -8.592 54 HB2 PHE 8 2HB PHE 8 -4.253 5.258 -6.327 55 HB3 PHE 8 3HB PHE 8 -3.790 6.897 -5.881 56 HD1 PHE 8 HD1 PHE 8 -5.307 7.969 -4.553 57 HD2 PHE 8 HD2 PHE 8 -6.725 5.274 -7.526 58 HE1 PHE 8 HE1 PHE 8 -7.624 8.437 -3.867 59 HE2 PHE 8 HE2 PHE 8 -9.044 5.738 -6.846 60 HZ PHE 8 HZ PHE 8 -9.495 7.322 -5.015 61 H ARG 9 H ARG 9 -5.476 7.626 -9.895 62 HA ARG 9 HA ARG 9 -5.680 10.294 -8.800 63 HB2 ARG 9 2HB ARG 9 -3.428 9.907 -10.174 64 HB3 ARG 9 3HB ARG 9 -4.503 10.207 -11.533 65 HG2 ARG 9 2HG ARG 9 -5.169 12.345 -10.478 66 HG3 ARG 9 3HG ARG 9 -3.976 12.048 -9.212 67 HD2 ARG 9 2HD ARG 9 -2.831 11.744 -11.851 68 HD3 ARG 9 3HD ARG 9 -3.556 13.337 -11.640 69 HE ARG 9 HE ARG 9 -1.867 12.521 -9.458 70 HH11 ARG 9 1HH1 ARG 9 -1.990 14.069 -12.573 71 HH12 ARG 9 2HH1 ARG 9 -0.538 14.979 -12.323 72 HH21 ARG 9 1HH2 ARG 9 0.047 13.714 -9.117 73 HH22 ARG 9 2HH2 ARG 9 0.621 14.776 -10.357 Start of MODEL 6 1 H1 ARG 1 H ARG 1 -0.697 -2.445 0.906 2 HA ARG 1 HA ARG 1 -0.080 -1.495 -1.066 3 HB2 ARG 1 2HB ARG 1 1.921 0.046 -0.998 4 HB3 ARG 1 3HB ARG 1 0.644 0.409 0.156 5 HG2 ARG 1 2HG ARG 1 1.911 -0.192 1.961 6 HG3 ARG 1 3HG ARG 1 2.899 -1.320 1.030 7 HD2 ARG 1 2HD ARG 1 4.296 0.323 0.262 8 HD3 ARG 1 3HD ARG 1 3.058 1.574 0.369 9 HE ARG 1 HE ARG 1 3.727 0.678 2.955 10 HH11 ARG 1 1HH1 ARG 1 5.023 2.538 0.312 11 HH12 ARG 1 2HH1 ARG 1 6.023 3.524 1.326 12 HH21 ARG 1 1HH2 ARG 1 5.039 1.970 4.300 13 HH22 ARG 1 2HH2 ARG 1 6.033 3.200 3.594 14 HA PRO 2 HA PRO 2 2.925 -4.998 -1.719 15 HB2 PRO 2 2HB PRO 2 1.371 -6.326 -3.505 16 HB3 PRO 2 3HB PRO 2 1.247 -6.566 -1.758 17 HG2 PRO 2 2HG PRO 2 -0.454 -4.892 -3.565 18 HG3 PRO 2 3HG PRO 2 -0.947 -5.964 -2.241 19 HD2 PRO 2 2HD PRO 2 -0.786 -3.276 -1.956 20 HD3 PRO 2 3HD PRO 2 -0.453 -4.399 -0.622 21 HA PRO 3 HA PRO 3 4.570 -3.490 -5.507 22 HB2 PRO 3 2HB PRO 3 5.513 -5.743 -6.693 23 HB3 PRO 3 3HB PRO 3 6.275 -5.013 -5.274 24 HG2 PRO 3 2HG PRO 3 4.395 -7.338 -5.429 25 HG3 PRO 3 3HG PRO 3 5.869 -7.153 -4.460 26 HD2 PRO 3 2HD PRO 3 3.390 -6.816 -3.422 27 HD3 PRO 3 3HD PRO 3 4.800 -5.904 -2.844 28 H GLY 4 H GLY 4 4.114 -3.167 -7.677 29 HA2 GLY 4 2HA GLY 4 3.127 -3.708 -9.763 30 HA3 GLY 4 3HA GLY 4 2.137 -4.913 -8.953 31 H PHE 5 H PHE 5 2.375 -1.814 -7.478 32 HA PHE 5 HA PHE 5 -0.443 -1.347 -8.025 33 HB2 PHE 5 2HB PHE 5 0.868 -1.085 -5.739 34 HB3 PHE 5 3HB PHE 5 1.199 0.523 -6.375 35 HD1 PHE 5 HD1 PHE 5 -0.316 2.218 -6.000 36 HD2 PHE 5 HD2 PHE 5 -1.629 -1.825 -5.779 37 HE1 PHE 5 HE1 PHE 5 -2.523 2.981 -5.223 38 HE2 PHE 5 HE2 PHE 5 -3.838 -1.069 -5.003 39 HZ PHE 5 HZ PHE 5 -4.287 1.337 -4.724 40 H SER 6 H SER 6 -1.245 0.686 -8.779 41 HA SER 6 HA SER 6 0.557 1.920 -10.729 42 HB2 SER 6 2HB SER 6 -1.242 2.172 -12.074 43 HB3 SER 6 3HB SER 6 -2.022 1.020 -10.991 44 HG SER 6 HG SER 6 -3.355 2.562 -10.529 45 HA PRO 7 HA PRO 7 0.864 5.778 -8.667 46 HB2 PRO 7 2HB PRO 7 0.683 7.553 -10.714 47 HB3 PRO 7 3HB PRO 7 2.099 6.528 -10.454 48 HG2 PRO 7 2HG PRO 7 -0.184 6.158 -12.354 49 HG3 PRO 7 3HG PRO 7 1.551 5.918 -12.630 50 HD2 PRO 7 2HD PRO 7 -0.144 3.863 -12.147 51 HD3 PRO 7 3HD PRO 7 1.553 3.844 -11.626 52 H PHE 8 H PHE 8 -0.327 7.461 -7.797 53 HA PHE 8 HA PHE 8 -3.197 7.347 -8.321 54 HB2 PHE 8 2HB PHE 8 -3.460 8.522 -6.212 55 HB3 PHE 8 3HB PHE 8 -2.382 7.148 -5.988 56 HD1 PHE 8 HD1 PHE 8 -0.078 7.455 -5.424 57 HD2 PHE 8 HD2 PHE 8 -2.591 10.805 -6.185 58 HE1 PHE 8 HE1 PHE 8 1.627 8.947 -4.466 59 HE2 PHE 8 HE2 PHE 8 -0.889 12.303 -5.229 60 HZ PHE 8 HZ PHE 8 1.223 11.375 -4.369 61 H ARG 9 H ARG 9 -4.392 9.479 -8.167 62 HA ARG 9 HA ARG 9 -2.913 11.767 -9.189 63 HB2 ARG 9 2HB ARG 9 -4.296 12.050 -11.146 64 HB3 ARG 9 3HB ARG 9 -3.572 10.448 -11.189 65 HG2 ARG 9 2HG ARG 9 -5.677 9.494 -10.352 66 HG3 ARG 9 3HG ARG 9 -6.396 11.106 -10.377 67 HD2 ARG 9 2HD ARG 9 -5.240 10.697 -12.911 68 HD3 ARG 9 3HD ARG 9 -6.106 9.215 -12.510 69 HE ARG 9 HE ARG 9 -7.757 11.403 -11.933 70 HH11 ARG 9 1HH1 ARG 9 -6.350 9.775 -14.670 71 HH12 ARG 9 2HH1 ARG 9 -7.629 10.214 -15.753 72 HH21 ARG 9 1HH2 ARG 9 -9.446 11.987 -13.350 73 HH22 ARG 9 2HH2 ARG 9 -9.389 11.473 -15.002 Start of MODEL 7 1 H1 ARG 1 H ARG 1 1.386 -1.125 0.475 2 HA ARG 1 HA ARG 1 0.859 -0.221 -2.242 3 HB2 ARG 1 2HB ARG 1 3.080 0.818 -0.506 4 HB3 ARG 1 3HB ARG 1 3.264 0.746 -2.253 5 HG2 ARG 1 2HG ARG 1 2.116 2.621 -2.506 6 HG3 ARG 1 3HG ARG 1 0.759 1.970 -1.585 7 HD2 ARG 1 2HD ARG 1 1.361 3.804 -0.319 8 HD3 ARG 1 3HD ARG 1 2.247 2.504 0.477 9 HE ARG 1 HE ARG 1 4.003 3.473 -1.362 10 HH11 ARG 1 1HH1 ARG 1 2.138 4.888 1.214 11 HH12 ARG 1 2HH1 ARG 1 3.292 6.139 1.539 12 HH21 ARG 1 1HH2 ARG 1 5.531 5.115 -0.944 13 HH22 ARG 1 2HH2 ARG 1 5.221 6.267 0.310 14 HA PRO 2 HA PRO 2 3.015 -4.333 -1.863 15 HB2 PRO 2 2HB PRO 2 1.274 -5.669 -3.461 16 HB3 PRO 2 3HB PRO 2 1.026 -5.474 -1.722 17 HG2 PRO 2 2HG PRO 2 -0.170 -3.931 -3.992 18 HG3 PRO 2 3HG PRO 2 -0.950 -4.542 -2.521 19 HD2 PRO 2 2HD PRO 2 -0.191 -1.958 -2.800 20 HD3 PRO 2 3HD PRO 2 -0.179 -2.793 -1.234 21 HA PRO 3 HA PRO 3 5.118 -4.113 -5.718 22 HB2 PRO 3 2HB PRO 3 5.570 -6.725 -6.307 23 HB3 PRO 3 3HB PRO 3 6.418 -5.871 -5.012 24 HG2 PRO 3 2HG PRO 3 4.065 -7.714 -4.841 25 HG3 PRO 3 3HG PRO 3 5.500 -7.632 -3.802 26 HD2 PRO 3 2HD PRO 3 3.123 -6.547 -3.092 27 HD3 PRO 3 3HD PRO 3 4.678 -5.850 -2.594 28 H GLY 4 H GLY 4 4.591 -3.851 -7.812 29 HA2 GLY 4 2HA GLY 4 3.661 -4.556 -9.884 30 HA3 GLY 4 3HA GLY 4 2.546 -5.587 -9.000 31 H PHE 5 H PHE 5 2.112 -3.180 -7.144 32 HA PHE 5 HA PHE 5 -0.179 -2.177 -8.563 33 HB2 PHE 5 2HB PHE 5 -0.146 -2.670 -6.097 34 HB3 PHE 5 3HB PHE 5 0.893 -1.264 -5.889 35 HD1 PHE 5 HD1 PHE 5 -2.450 -2.335 -7.066 36 HD2 PHE 5 HD2 PHE 5 -0.012 0.886 -5.725 37 HE1 PHE 5 HE1 PHE 5 -4.440 -0.895 -6.918 38 HE2 PHE 5 HE2 PHE 5 -1.997 2.331 -5.573 39 HZ PHE 5 HZ PHE 5 -4.215 1.441 -6.169 40 H SER 6 H SER 6 -0.553 -0.099 -9.279 41 HA SER 6 HA SER 6 1.846 1.592 -9.528 42 HB2 SER 6 2HB SER 6 -0.274 2.301 -11.364 43 HB3 SER 6 3HB SER 6 1.386 1.818 -11.712 44 HG SER 6 HG SER 6 -0.926 0.352 -11.813 45 HA PRO 7 HA PRO 7 -0.067 4.911 -7.392 46 HB2 PRO 7 2HB PRO 7 0.738 7.072 -8.825 47 HB3 PRO 7 3HB PRO 7 1.832 6.140 -7.795 48 HG2 PRO 7 2HG PRO 7 1.448 6.005 -10.761 49 HG3 PRO 7 3HG PRO 7 2.954 5.982 -9.825 50 HD2 PRO 7 2HD PRO 7 1.829 3.734 -10.829 51 HD3 PRO 7 3HD PRO 7 2.749 3.745 -9.311 52 H PHE 8 H PHE 8 -1.978 5.975 -7.323 53 HA PHE 8 HA PHE 8 -3.387 6.440 -9.866 54 HB2 PHE 8 2HB PHE 8 -5.446 5.667 -8.929 55 HB3 PHE 8 3HB PHE 8 -4.236 4.430 -8.599 56 HD1 PHE 8 HD1 PHE 8 -3.034 4.646 -6.278 57 HD2 PHE 8 HD2 PHE 8 -6.809 6.373 -7.219 58 HE1 PHE 8 HE1 PHE 8 -3.581 4.749 -3.881 59 HE2 PHE 8 HE2 PHE 8 -7.361 6.479 -4.824 60 HZ PHE 8 HZ PHE 8 -5.746 5.668 -3.152 61 H ARG 9 H ARG 9 -4.917 8.165 -9.865 62 HA ARG 9 HA ARG 9 -4.161 10.305 -8.035 63 HB2 ARG 9 2HB ARG 9 -4.808 10.203 -10.765 64 HB3 ARG 9 3HB ARG 9 -6.141 11.056 -9.999 65 HG2 ARG 9 2HG ARG 9 -4.797 12.794 -9.288 66 HG3 ARG 9 3HG ARG 9 -3.323 11.828 -9.384 67 HD2 ARG 9 2HD ARG 9 -3.049 12.224 -11.594 68 HD3 ARG 9 3HD ARG 9 -4.782 12.222 -11.917 69 HE ARG 9 HE ARG 9 -4.809 14.494 -11.618 70 HH11 ARG 9 1HH1 ARG 9 -1.814 13.207 -10.395 71 HH12 ARG 9 2HH1 ARG 9 -1.097 14.764 -10.144 72 HH21 ARG 9 1HH2 ARG 9 -3.876 16.549 -11.291 73 HH22 ARG 9 2HH2 ARG 9 -2.271 16.665 -10.653 Start of MODEL 8 1 H1 ARG 1 H ARG 1 0.219 -2.177 1.542 2 HA ARG 1 HA ARG 1 -0.419 -0.998 -1.081 3 HB2 ARG 1 2HB ARG 1 1.642 0.399 -0.682 4 HB3 ARG 1 3HB ARG 1 0.293 0.724 0.398 5 HG2 ARG 1 2HG ARG 1 1.535 0.286 2.177 6 HG3 ARG 1 3HG ARG 1 1.999 -1.288 1.527 7 HD2 ARG 1 2HD ARG 1 3.898 -0.443 0.492 8 HD3 ARG 1 3HD ARG 1 3.285 1.211 0.502 9 HE ARG 1 HE ARG 1 4.166 1.485 2.595 10 HH11 ARG 1 1HH1 ARG 1 4.021 -1.915 1.858 11 HH12 ARG 1 2HH1 ARG 1 4.908 -2.391 3.268 12 HH21 ARG 1 1HH2 ARG 1 5.335 0.870 4.455 13 HH22 ARG 1 2HH2 ARG 1 5.654 -0.807 4.745 14 HA PRO 2 HA PRO 2 2.398 -4.616 -1.852 15 HB2 PRO 2 2HB PRO 2 0.985 -5.569 -3.965 16 HB3 PRO 2 3HB PRO 2 0.624 -6.009 -2.291 17 HG2 PRO 2 2HG PRO 2 -0.704 -3.979 -4.045 18 HG3 PRO 2 3HG PRO 2 -1.439 -5.155 -2.940 19 HD2 PRO 2 2HD PRO 2 -1.113 -2.548 -2.286 20 HD3 PRO 2 3HD PRO 2 -1.036 -3.851 -1.083 21 HA PRO 3 HA PRO 3 4.616 -2.812 -5.192 22 HB2 PRO 3 2HB PRO 3 5.529 -4.980 -6.548 23 HB3 PRO 3 3HB PRO 3 6.158 -4.501 -4.967 24 HG2 PRO 3 2HG PRO 3 4.143 -6.609 -5.644 25 HG3 PRO 3 3HG PRO 3 5.492 -6.678 -4.496 26 HD2 PRO 3 2HD PRO 3 2.936 -6.247 -3.715 27 HD3 PRO 3 3HD PRO 3 4.326 -5.544 -2.863 28 H GLY 4 H GLY 4 4.365 -2.093 -7.271 29 HA2 GLY 4 2HA GLY 4 3.595 -2.118 -9.485 30 HA3 GLY 4 3HA GLY 4 2.647 -3.551 -9.116 31 H PHE 5 H PHE 5 2.402 -0.913 -6.927 32 HA PHE 5 HA PHE 5 -0.382 -0.658 -7.304 33 HB2 PHE 5 2HB PHE 5 -0.157 1.342 -5.815 34 HB3 PHE 5 3HB PHE 5 0.582 -0.118 -5.166 35 HD1 PHE 5 HD1 PHE 5 1.326 3.063 -6.908 36 HD2 PHE 5 HD2 PHE 5 2.848 -0.164 -4.586 37 HE1 PHE 5 HE1 PHE 5 3.451 4.272 -6.626 38 HE2 PHE 5 HE2 PHE 5 4.974 1.041 -4.300 39 HZ PHE 5 HZ PHE 5 5.277 3.262 -5.319 40 H SER 6 H SER 6 -1.612 1.017 -8.194 41 HA SER 6 HA SER 6 -0.296 2.391 -10.409 42 HB2 SER 6 2HB SER 6 -2.954 1.314 -9.919 43 HB3 SER 6 3HB SER 6 -3.020 2.963 -10.540 44 HG SER 6 HG SER 6 -2.703 2.038 -12.399 45 HA PRO 7 HA PRO 7 -0.452 6.421 -8.686 46 HB2 PRO 7 2HB PRO 7 -1.188 7.940 -10.812 47 HB3 PRO 7 3HB PRO 7 0.410 7.200 -10.668 48 HG2 PRO 7 2HG PRO 7 -1.974 6.271 -12.221 49 HG3 PRO 7 3HG PRO 7 -0.268 6.306 -12.704 50 HD2 PRO 7 2HD PRO 7 -1.497 4.046 -11.858 51 HD3 PRO 7 3HD PRO 7 0.224 4.364 -11.564 52 H PHE 8 H PHE 8 -1.822 8.183 -8.061 53 HA PHE 8 HA PHE 8 -4.668 7.459 -8.098 54 HB2 PHE 8 2HB PHE 8 -4.912 8.708 -6.065 55 HB3 PHE 8 3HB PHE 8 -3.498 7.675 -5.885 56 HD1 PHE 8 HD1 PHE 8 -4.726 11.082 -6.075 57 HD2 PHE 8 HD2 PHE 8 -1.241 8.641 -5.956 58 HE1 PHE 8 HE1 PHE 8 -3.371 13.052 -5.496 59 HE2 PHE 8 HE2 PHE 8 0.120 10.607 -5.375 60 HZ PHE 8 HZ PHE 8 -0.945 12.815 -5.144 61 H ARG 9 H ARG 9 -6.198 8.821 -8.873 62 HA ARG 9 HA ARG 9 -5.841 11.594 -9.279 63 HB2 ARG 9 2HB ARG 9 -5.754 11.654 -11.725 64 HB3 ARG 9 3HB ARG 9 -4.334 10.857 -11.061 65 HG2 ARG 9 2HG ARG 9 -6.382 8.921 -11.589 66 HG3 ARG 9 3HG ARG 9 -6.080 9.899 -13.027 67 HD2 ARG 9 2HD ARG 9 -3.879 9.224 -13.185 68 HD3 ARG 9 3HD ARG 9 -3.773 8.819 -11.472 69 HE ARG 9 HE ARG 9 -4.498 6.710 -11.969 70 HH11 ARG 9 1HH1 ARG 9 -5.237 8.818 -14.640 71 HH12 ARG 9 2HH1 ARG 9 -5.769 7.534 -15.675 72 HH21 ARG 9 1HH2 ARG 9 -5.197 5.012 -13.323 73 HH22 ARG 9 2HH2 ARG 9 -5.747 5.370 -14.924 Start of MODEL 9 1 H1 ARG 1 H ARG 1 2.330 -1.737 0.941 2 HA ARG 1 HA ARG 1 1.624 -0.255 -1.374 3 HB2 ARG 1 2HB ARG 1 4.226 0.511 -0.036 4 HB3 ARG 1 3HB ARG 1 3.693 1.045 -1.625 5 HG2 ARG 1 2HG ARG 1 2.040 1.585 0.810 6 HG3 ARG 1 3HG ARG 1 3.397 2.627 0.375 7 HD2 ARG 1 2HD ARG 1 2.278 3.564 -1.326 8 HD3 ARG 1 3HD ARG 1 1.615 2.020 -1.859 9 HE ARG 1 HE ARG 1 -0.302 2.502 -0.715 10 HH11 ARG 1 1HH1 ARG 1 2.257 4.545 0.467 11 HH12 ARG 1 2HH1 ARG 1 1.213 5.491 1.476 12 HH21 ARG 1 1HH2 ARG 1 -1.687 3.740 0.609 13 HH22 ARG 1 2HH2 ARG 1 -1.030 5.031 1.556 14 HA PRO 2 HA PRO 2 3.973 -4.245 -1.905 15 HB2 PRO 2 2HB PRO 2 2.087 -5.436 -3.453 16 HB3 PRO 2 3HB PRO 2 2.069 -5.512 -1.687 17 HG2 PRO 2 2HG PRO 2 0.515 -3.729 -3.522 18 HG3 PRO 2 3HG PRO 2 -0.033 -4.596 -2.075 19 HD2 PRO 2 2HD PRO 2 0.576 -1.957 -2.050 20 HD3 PRO 2 3HD PRO 2 0.834 -3.010 -0.644 21 HA PRO 3 HA PRO 3 5.523 -3.336 -5.918 22 HB2 PRO 3 2HB PRO 3 5.997 -5.801 -6.952 23 HB3 PRO 3 3HB PRO 3 6.977 -5.097 -5.662 24 HG2 PRO 3 2HG PRO 3 4.746 -7.083 -5.476 25 HG3 PRO 3 3HG PRO 3 6.304 -7.068 -4.629 26 HD2 PRO 3 2HD PRO 3 4.004 -6.244 -3.462 27 HD3 PRO 3 3HD PRO 3 5.582 -5.535 -3.066 28 H GLY 4 H GLY 4 4.829 -2.943 -7.970 29 HA2 GLY 4 2HA GLY 4 3.608 -3.294 -9.941 30 HA3 GLY 4 3HA GLY 4 2.715 -4.574 -9.134 31 H PHE 5 H PHE 5 3.034 -1.576 -7.474 32 HA PHE 5 HA PHE 5 0.192 -1.190 -7.500 33 HB2 PHE 5 2HB PHE 5 2.038 -0.619 -5.663 34 HB3 PHE 5 3HB PHE 5 2.017 0.937 -6.488 35 HD1 PHE 5 HD1 PHE 5 -0.016 -1.480 -4.594 36 HD2 PHE 5 HD2 PHE 5 0.203 2.441 -6.234 37 HE1 PHE 5 HE1 PHE 5 -2.016 -0.837 -3.314 38 HE2 PHE 5 HE2 PHE 5 -1.796 3.091 -4.956 39 HZ PHE 5 HZ PHE 5 -2.908 1.452 -3.493 40 H SER 6 H SER 6 -0.982 0.469 -8.427 41 HA SER 6 HA SER 6 0.387 1.876 -10.617 42 HB2 SER 6 2HB SER 6 -2.290 2.179 -11.125 43 HB3 SER 6 3HB SER 6 -1.278 0.901 -11.797 44 HG SER 6 HG SER 6 -2.903 0.766 -9.476 45 HA PRO 7 HA PRO 7 -0.381 5.839 -8.902 46 HB2 PRO 7 2HB PRO 7 -1.062 7.301 -11.086 47 HB3 PRO 7 3HB PRO 7 0.586 6.736 -10.783 48 HG2 PRO 7 2HG PRO 7 -1.515 5.578 -12.574 49 HG3 PRO 7 3HG PRO 7 0.216 5.805 -12.882 50 HD2 PRO 7 2HD PRO 7 -0.837 3.413 -12.173 51 HD3 PRO 7 3HD PRO 7 0.802 3.911 -11.705 52 H PHE 8 H PHE 8 -1.989 7.159 -8.105 53 HA PHE 8 HA PHE 8 -4.741 6.453 -8.886 54 HB2 PHE 8 2HB PHE 8 -3.585 6.144 -6.404 55 HB3 PHE 8 3HB PHE 8 -4.424 7.683 -6.247 56 HD1 PHE 8 HD1 PHE 8 -6.464 7.491 -5.238 57 HD2 PHE 8 HD2 PHE 8 -5.173 4.400 -7.864 58 HE1 PHE 8 HE1 PHE 8 -8.585 6.298 -4.872 59 HE2 PHE 8 HE2 PHE 8 -7.292 3.203 -7.503 60 HZ PHE 8 HZ PHE 8 -9.001 4.152 -6.006 61 H ARG 9 H ARG 9 -5.275 8.047 -10.284 62 HA ARG 9 HA ARG 9 -5.450 10.746 -9.196 63 HB2 ARG 9 2HB ARG 9 -3.734 9.935 -11.472 64 HB3 ARG 9 3HB ARG 9 -4.680 11.400 -11.694 65 HG2 ARG 9 2HG ARG 9 -3.404 12.583 -10.287 66 HG3 ARG 9 3HG ARG 9 -3.279 11.257 -9.130 67 HD2 ARG 9 2HD ARG 9 -1.690 10.174 -10.809 68 HD3 ARG 9 3HD ARG 9 -1.642 11.748 -11.600 69 HE ARG 9 HE ARG 9 -1.085 12.212 -8.939 70 HH11 ARG 9 1HH1 ARG 9 0.306 10.373 -11.547 71 HH12 ARG 9 2HH1 ARG 9 1.927 10.507 -10.951 72 HH21 ARG 9 1HH2 ARG 9 1.045 12.396 -8.144 73 HH22 ARG 9 2HH2 ARG 9 2.346 11.657 -9.015 Start of MODEL 10 1 H1 ARG 1 H ARG 1 2.234 -1.010 0.403 2 HA ARG 1 HA ARG 1 1.763 0.276 -1.853 3 HB2 ARG 1 2HB ARG 1 4.456 1.258 -0.890 4 HB3 ARG 1 3HB ARG 1 3.827 1.490 -2.516 5 HG2 ARG 1 2HG ARG 1 1.818 2.455 -0.871 6 HG3 ARG 1 3HG ARG 1 3.314 2.991 -0.103 7 HD2 ARG 1 2HD ARG 1 3.276 4.677 -1.567 8 HD3 ARG 1 3HD ARG 1 3.782 3.485 -2.764 9 HE ARG 1 HE ARG 1 1.699 3.600 -3.708 10 HH11 ARG 1 1HH1 ARG 1 1.603 5.047 -0.543 11 HH12 ARG 1 2HH1 ARG 1 -0.006 5.664 -0.730 12 HH21 ARG 1 1HH2 ARG 1 -0.419 4.407 -3.967 13 HH22 ARG 1 2HH2 ARG 1 -1.155 5.298 -2.678 14 HA PRO 2 HA PRO 2 4.128 -3.740 -2.082 15 HB2 PRO 2 2HB PRO 2 2.089 -5.170 -3.161 16 HB3 PRO 2 3HB PRO 2 2.310 -4.977 -1.418 17 HG2 PRO 2 2HG PRO 2 0.470 -3.509 -3.268 18 HG3 PRO 2 3HG PRO 2 0.148 -4.150 -1.646 19 HD2 PRO 2 2HD PRO 2 0.675 -1.533 -2.100 20 HD3 PRO 2 3HD PRO 2 1.151 -2.357 -0.601 21 HA PRO 3 HA PRO 3 5.098 -3.438 -6.360 22 HB2 PRO 3 2HB PRO 3 5.503 -6.027 -7.069 23 HB3 PRO 3 3HB PRO 3 6.626 -5.125 -6.045 24 HG2 PRO 3 2HG PRO 3 4.501 -7.081 -5.259 25 HG3 PRO 3 3HG PRO 3 6.157 -6.922 -4.646 26 HD2 PRO 3 2HD PRO 3 4.010 -5.952 -3.311 27 HD3 PRO 3 3HD PRO 3 5.605 -5.176 -3.247 28 H GLY 4 H GLY 4 4.161 -3.429 -8.366 29 HA2 GLY 4 2HA GLY 4 2.707 -4.178 -10.065 30 HA3 GLY 4 3HA GLY 4 1.876 -5.178 -8.882 31 H PHE 5 H PHE 5 1.843 -2.741 -7.052 32 HA PHE 5 HA PHE 5 -0.733 -1.795 -7.909 33 HB2 PHE 5 2HB PHE 5 0.745 -1.891 -5.460 34 HB3 PHE 5 3HB PHE 5 0.230 -0.232 -5.743 35 HD1 PHE 5 HD1 PHE 5 -2.005 0.417 -5.429 36 HD2 PHE 5 HD2 PHE 5 -0.973 -3.712 -5.426 37 HE1 PHE 5 HE1 PHE 5 -4.257 -0.142 -4.609 38 HE2 PHE 5 HE2 PHE 5 -3.223 -4.278 -4.608 39 HZ PHE 5 HZ PHE 5 -4.869 -2.492 -4.199 40 H SER 6 H SER 6 -1.307 0.297 -8.489 41 HA SER 6 HA SER 6 0.929 1.960 -9.436 42 HB2 SER 6 2HB SER 6 -0.224 2.376 -11.338 43 HB3 SER 6 3HB SER 6 -1.165 0.955 -10.887 44 HG SER 6 HG SER 6 -2.802 2.250 -10.770 45 HA PRO 7 HA PRO 7 -0.173 5.309 -6.828 46 HB2 PRO 7 2HB PRO 7 0.193 7.458 -8.446 47 HB3 PRO 7 3HB PRO 7 1.533 6.503 -7.799 48 HG2 PRO 7 2HG PRO 7 0.254 6.382 -10.503 49 HG3 PRO 7 3HG PRO 7 1.974 6.329 -10.075 50 HD2 PRO 7 2HD PRO 7 0.553 4.104 -10.677 51 HD3 PRO 7 3HD PRO 7 1.895 4.095 -9.515 52 H PHE 8 H PHE 8 -1.937 6.443 -6.187 53 HA PHE 8 HA PHE 8 -4.068 6.892 -8.170 54 HB2 PHE 8 2HB PHE 8 -4.127 5.347 -5.695 55 HB3 PHE 8 3HB PHE 8 -5.382 6.581 -5.749 56 HD1 PHE 8 HD1 PHE 8 -7.372 6.126 -6.821 57 HD2 PHE 8 HD2 PHE 8 -3.914 3.851 -7.811 58 HE1 PHE 8 HE1 PHE 8 -8.745 4.668 -8.251 59 HE2 PHE 8 HE2 PHE 8 -5.280 2.390 -9.243 60 HZ PHE 8 HZ PHE 8 -7.699 2.798 -9.465 61 H ARG 9 H ARG 9 -3.498 9.062 -8.416 62 HA ARG 9 HA ARG 9 -3.095 10.854 -6.271 63 HB2 ARG 9 2HB ARG 9 -3.797 11.243 -9.173 64 HB3 ARG 9 3HB ARG 9 -3.632 12.603 -8.070 65 HG2 ARG 9 2HG ARG 9 -1.366 12.336 -7.857 66 HG3 ARG 9 3HG ARG 9 -1.424 10.615 -8.244 67 HD2 ARG 9 2HD ARG 9 -0.586 11.352 -10.216 68 HD3 ARG 9 3HD ARG 9 -2.295 11.603 -10.568 69 HE ARG 9 HE ARG 9 -1.249 13.914 -9.357 70 HH11 ARG 9 1HH1 ARG 9 -1.071 12.121 -12.336 71 HH12 ARG 9 2HH1 ARG 9 -0.707 13.512 -13.304 72 HH21 ARG 9 1HH2 ARG 9 -0.770 15.752 -10.620 73 HH22 ARG 9 2HH2 ARG 9 -0.535 15.577 -12.326
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