NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3297 | 1dg2 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 18.952 6.106 -16.856 2 2H GLY 1 2H GLY 1 19.279 7.685 -16.499 3 3H GLY 1 3H GLY 1 19.763 6.489 -15.468 4 1HA GLY 1 2HA GLY 1 16.918 7.157 -16.083 5 2HA GLY 1 1HA GLY 1 17.447 5.892 -14.976 6 H CYS 2 H CYS 2 16.967 9.281 -15.381 7 HA CYS 2 HA CYS 2 18.366 10.198 -12.934 8 1HB CYS 2 2HB CYS 2 18.001 11.668 -14.943 9 2HB CYS 2 1HB CYS 2 16.264 11.714 -14.598 10 H CYS 3 H CYS 3 14.842 9.790 -13.658 11 HA CYS 3 HA CYS 3 13.925 10.489 -10.962 12 1HB CYS 3 1HB CYS 3 12.507 8.863 -13.165 13 2HB CYS 3 2HB CYS 3 11.734 9.453 -11.695 14 H SER 4 H SER 4 15.088 7.363 -12.176 15 HA SER 4 HA SER 4 14.156 5.898 -9.689 16 1HB SER 4 1HB SER 4 15.791 4.936 -12.115 17 2HB SER 4 2HB SER 4 15.300 3.923 -10.758 18 HG SER 4 HG SER 4 13.134 4.461 -11.211 19 H TYR 5 H TYR 5 17.099 7.543 -10.751 20 HA TYR 5 HA TYR 5 18.828 6.179 -8.693 21 1HB TYR 5 1HB TYR 5 19.705 6.706 -10.949 22 2HB TYR 5 2HB TYR 5 19.417 8.410 -10.707 23 HD1 TYR 5 HD1 TYR 5 21.089 5.822 -8.400 24 HD2 TYR 5 HD2 TYR 5 21.573 9.370 -10.797 25 HE1 TYR 5 HE1 TYR 5 23.420 6.008 -7.673 26 HE2 TYR 5 HE2 TYR 5 23.911 9.519 -10.085 27 HH TYR 5 HH TYR 5 25.527 8.633 -8.848 28 HA PRO 6 HA PRO 6 17.175 9.188 -5.634 29 1HB PRO 6 2HB PRO 6 19.666 8.394 -4.049 30 2HB PRO 6 1HB PRO 6 17.998 8.608 -3.484 31 1HG PRO 6 2HG PRO 6 18.911 6.111 -4.025 32 2HG PRO 6 1HG PRO 6 17.274 6.563 -4.551 33 1HD PRO 6 1HD PRO 6 19.819 6.394 -6.245 34 2HD PRO 6 2HD PRO 6 18.151 5.874 -6.631 35 HA PRO 7 HA PRO 7 20.534 12.644 -5.209 36 1HB PRO 7 2HB PRO 7 22.907 12.569 -6.647 37 2HB PRO 7 1HB PRO 7 22.684 11.863 -5.039 38 1HG PRO 7 2HG PRO 7 22.529 10.433 -7.715 39 2HG PRO 7 1HG PRO 7 23.456 9.941 -6.280 40 1HD PRO 7 1HD PRO 7 20.998 8.861 -6.851 41 2HD PRO 7 2HD PRO 7 21.469 9.154 -5.153 42 H CYS 8 H CYS 8 20.464 11.272 -8.533 43 HA CYS 8 HA CYS 8 20.075 13.851 -9.914 44 1HB CYS 8 1HB CYS 8 20.858 11.687 -11.010 45 2HB CYS 8 2HB CYS 8 19.192 11.092 -10.963 46 H PHE 9 H PHE 9 17.703 11.559 -8.510 47 HA PHE 9 HA PHE 9 15.260 12.996 -9.295 48 1HB PHE 9 1HB PHE 9 15.290 10.640 -8.456 49 2HB PHE 9 2HB PHE 9 15.817 11.165 -6.883 50 HD1 PHE 9 HD1 PHE 9 14.207 12.396 -5.345 51 HD2 PHE 9 HD2 PHE 9 12.905 10.857 -9.147 52 HE1 PHE 9 HE1 PHE 9 11.861 12.614 -4.645 53 HE2 PHE 9 HE2 PHE 9 10.570 11.072 -8.426 54 HZ PHE 9 HZ PHE 9 10.038 11.956 -6.180 55 H ALA 10 H ALA 10 17.258 13.244 -6.301 56 HA ALA 10 HA ALA 10 15.788 15.434 -5.070 57 1HB ALA 10 1HB ALA 10 17.360 13.954 -3.820 58 2HB ALA 10 2HB ALA 10 18.750 14.642 -4.697 59 3HB ALA 10 3HB ALA 10 17.791 15.658 -3.595 60 H THR 11 H THR 11 18.354 15.638 -7.522 61 HA THR 11 HA THR 11 18.673 18.615 -7.122 62 HB THR 11 HB THR 11 20.378 18.488 -8.964 63 HG1 THR 11 HG1 THR 11 19.526 16.658 -9.990 64 1HG2 THR 11 1HG2 THR 11 21.149 18.284 -6.607 65 2HG2 THR 11 2HG2 THR 11 20.926 16.518 -6.662 66 3HG2 THR 11 3HG2 THR 11 22.138 17.296 -7.707 67 H ASN 12 H ASN 12 17.265 16.497 -9.684 68 HA ASN 12 HA ASN 12 16.898 18.806 -11.523 69 1HB ASN 12 2HB ASN 12 16.129 15.845 -11.784 70 2HB ASN 12 1HB ASN 12 15.773 17.033 -13.005 71 1HD2 ASN 12 1HD2 ASN 12 17.465 17.881 -14.288 72 2HD2 ASN 12 2HD2 ASN 12 19.138 17.127 -14.281 73 HA PRO 13 HA PRO 13 12.696 19.794 -9.807 74 1HB PRO 13 2HB PRO 13 12.470 21.257 -12.492 75 2HB PRO 13 1HB PRO 13 11.990 21.812 -10.874 76 1HG PRO 13 1HG PRO 13 14.332 22.674 -11.942 77 2HG PRO 13 2HG PRO 13 14.295 22.190 -10.230 78 1HD PRO 13 1HD PRO 13 15.331 20.568 -12.618 79 2HD PRO 13 2HD PRO 13 16.035 20.772 -10.985 80 H ASP 14 H ASP 14 12.921 18.548 -13.156 81 HA ASP 14 HA ASP 14 10.086 17.847 -13.442 82 1HB ASP 14 1HB ASP 14 11.761 18.136 -15.341 83 2HB ASP 14 2HB ASP 14 12.499 16.606 -14.909 84 H CYS 15 H CYS 15 12.874 15.820 -12.391 85 HA CYS 15 HA CYS 15 11.206 13.437 -11.749 86 1HB CYS 15 1HB CYS 15 14.117 14.173 -11.068 87 2HB CYS 15 2HB CYS 15 13.335 12.696 -10.506 88 1HN NH2 16 1HN NH2 16 12.996 15.612 -9.395 89 2HN NH2 16 2HN NH2 16 11.701 15.421 -8.109 Start of MODEL 2 1 1H GLY 1 1H GLY 1 19.041 6.237 -16.861 2 2H GLY 1 2H GLY 1 19.854 6.639 -15.479 3 3H GLY 1 3H GLY 1 19.325 7.825 -16.501 4 1HA GLY 1 2HA GLY 1 16.984 7.225 -16.064 5 2HA GLY 1 1HA GLY 1 17.561 5.972 -14.968 6 H CYS 2 H CYS 2 16.985 9.349 -15.356 7 HA CYS 2 HA CYS 2 18.371 10.280 -12.904 8 1HB CYS 2 2HB CYS 2 17.992 11.762 -14.899 9 2HB CYS 2 1HB CYS 2 16.253 11.778 -14.562 10 H CYS 3 H CYS 3 14.854 9.839 -13.644 11 HA CYS 3 HA CYS 3 13.930 10.472 -10.930 12 1HB CYS 3 1HB CYS 3 12.520 8.888 -13.169 13 2HB CYS 3 2HB CYS 3 11.746 9.451 -11.689 14 H SER 4 H SER 4 15.179 7.424 -12.192 15 HA SER 4 HA SER 4 14.191 5.852 -9.783 16 1HB SER 4 2HB SER 4 15.914 4.953 -12.175 17 2HB SER 4 1HB SER 4 15.377 3.910 -10.856 18 HG SER 4 HG SER 4 13.693 5.394 -12.585 19 H TYR 5 H TYR 5 17.164 7.507 -10.779 20 HA TYR 5 HA TYR 5 18.828 6.186 -8.632 21 1HB TYR 5 1HB TYR 5 19.790 6.659 -10.865 22 2HB TYR 5 2HB TYR 5 19.482 8.367 -10.687 23 HD1 TYR 5 HD1 TYR 5 21.222 5.585 -8.712 24 HD2 TYR 5 HD2 TYR 5 21.407 9.640 -10.142 25 HE1 TYR 5 HE1 TYR 5 23.484 5.819 -7.783 26 HE2 TYR 5 HE2 TYR 5 23.671 9.854 -9.226 27 HH TYR 5 HH TYR 5 25.313 8.863 -8.110 28 HA PRO 6 HA PRO 6 17.007 9.373 -5.853 29 1HB PRO 6 1HB PRO 6 19.134 8.516 -3.848 30 2HB PRO 6 2HB PRO 6 17.394 8.736 -3.624 31 1HG PRO 6 1HG PRO 6 18.428 6.227 -3.947 32 2HG PRO 6 2HG PRO 6 16.879 6.659 -4.705 33 1HD PRO 6 2HD PRO 6 19.630 6.477 -6.039 34 2HD PRO 6 1HD PRO 6 18.030 5.930 -6.624 35 HA PRO 7 HA PRO 7 20.808 12.480 -5.211 36 1HB PRO 7 2HB PRO 7 22.641 11.357 -7.386 37 2HB PRO 7 1HB PRO 7 23.065 12.244 -5.912 38 1HG PRO 7 1HG PRO 7 23.347 9.542 -5.991 39 2HG PRO 7 2HG PRO 7 22.670 10.294 -4.526 40 1HD PRO 7 1HD PRO 7 21.143 8.901 -6.797 41 2HD PRO 7 2HD PRO 7 20.928 8.745 -5.036 42 H CYS 8 H CYS 8 20.463 11.203 -8.559 43 HA CYS 8 HA CYS 8 20.084 13.842 -9.819 44 1HB CYS 8 2HB CYS 8 20.856 11.751 -11.025 45 2HB CYS 8 1HB CYS 8 19.199 11.131 -10.978 46 H PHE 9 H PHE 9 17.694 11.574 -8.422 47 HA PHE 9 HA PHE 9 15.262 12.989 -9.268 48 1HB PHE 9 1HB PHE 9 15.299 10.653 -8.359 49 2HB PHE 9 2HB PHE 9 15.776 11.236 -6.791 50 HD1 PHE 9 HD1 PHE 9 12.935 10.758 -9.090 51 HD2 PHE 9 HD2 PHE 9 14.111 12.558 -5.363 52 HE1 PHE 9 HE1 PHE 9 10.579 10.954 -8.433 53 HE2 PHE 9 HE2 PHE 9 11.745 12.760 -4.729 54 HZ PHE 9 HZ PHE 9 9.975 11.960 -6.258 55 H ALA 10 H ALA 10 17.203 13.306 -6.245 56 HA ALA 10 HA ALA 10 15.738 15.551 -5.106 57 1HB ALA 10 1HB ALA 10 18.682 14.729 -4.656 58 2HB ALA 10 2HB ALA 10 17.267 14.093 -3.780 59 3HB ALA 10 3HB ALA 10 17.721 15.796 -3.605 60 H THR 11 H THR 11 18.376 15.633 -7.495 61 HA THR 11 HA THR 11 18.676 18.629 -7.232 62 HB THR 11 HB THR 11 20.446 18.425 -8.992 63 HG1 THR 11 HG1 THR 11 21.134 16.354 -9.526 64 1HG2 THR 11 1HG2 THR 11 20.917 16.513 -6.625 65 2HG2 THR 11 2HG2 THR 11 22.160 17.276 -7.644 66 3HG2 THR 11 3HG2 THR 11 21.132 18.282 -6.598 67 H ASN 12 H ASN 12 17.154 16.405 -9.582 68 HA ASN 12 HA ASN 12 16.883 18.550 -11.643 69 1HB ASN 12 1HB ASN 12 17.410 16.181 -12.230 70 2HB ASN 12 2HB ASN 12 15.853 15.661 -11.629 71 1HD2 ASN 12 1HD2 ASN 12 17.389 17.721 -14.104 72 2HD2 ASN 12 2HD2 ASN 12 16.019 17.542 -15.312 73 HA PRO 13 HA PRO 13 12.762 19.888 -9.889 74 1HB PRO 13 1HB PRO 13 12.560 21.183 -12.658 75 2HB PRO 13 2HB PRO 13 12.157 21.869 -11.070 76 1HG PRO 13 2HG PRO 13 14.509 22.527 -12.257 77 2HG PRO 13 1HG PRO 13 14.495 22.169 -10.514 78 1HD PRO 13 2HD PRO 13 15.369 20.319 -12.802 79 2HD PRO 13 1HD PRO 13 16.142 20.612 -11.214 80 H ASP 14 H ASP 14 12.888 18.482 -13.193 81 HA ASP 14 HA ASP 14 10.023 17.827 -13.362 82 1HB ASP 14 1HB ASP 14 12.393 16.597 -14.901 83 2HB ASP 14 2HB ASP 14 10.712 16.247 -15.231 84 H CYS 15 H CYS 15 12.817 15.810 -12.321 85 HA CYS 15 HA CYS 15 11.157 13.428 -11.668 86 1HB CYS 15 1HB CYS 15 14.057 14.180 -10.954 87 2HB CYS 15 2HB CYS 15 13.278 12.687 -10.430 88 1HN NH2 16 1HN NH2 16 12.913 15.647 -9.328 89 2HN NH2 16 2HN NH2 16 11.626 15.436 -8.037 Start of MODEL 3 1 1H GLY 1 1H GLY 1 19.837 6.598 -15.475 2 2H GLY 1 2H GLY 1 19.027 6.180 -16.853 3 3H GLY 1 3H GLY 1 19.296 7.772 -16.504 4 1HA GLY 1 2HA GLY 1 16.962 7.154 -16.062 5 2HA GLY 1 1HA GLY 1 17.551 5.913 -14.958 6 H CYS 2 H CYS 2 16.948 9.284 -15.369 7 HA CYS 2 HA CYS 2 18.325 10.247 -12.927 8 1HB CYS 2 1HB CYS 2 17.925 11.707 -14.931 9 2HB CYS 2 2HB CYS 2 16.188 11.706 -14.585 10 H CYS 3 H CYS 3 14.815 9.749 -13.653 11 HA CYS 3 HA CYS 3 13.887 10.419 -10.949 12 1HB CYS 3 1HB CYS 3 12.489 8.800 -13.170 13 2HB CYS 3 2HB CYS 3 11.709 9.367 -11.694 14 H SER 4 H SER 4 15.137 7.353 -12.173 15 HA SER 4 HA SER 4 14.183 5.825 -9.723 16 1HB SER 4 2HB SER 4 15.885 4.888 -12.116 17 2HB SER 4 1HB SER 4 15.366 3.867 -10.772 18 HG SER 4 HG SER 4 13.975 3.746 -12.533 19 H TYR 5 H TYR 5 17.147 7.469 -10.780 20 HA TYR 5 HA TYR 5 18.833 6.198 -8.630 21 1HB TYR 5 2HB TYR 5 19.759 6.660 -10.878 22 2HB TYR 5 1HB TYR 5 19.442 8.366 -10.704 23 HD1 TYR 5 HD1 TYR 5 21.363 9.658 -10.188 24 HD2 TYR 5 HD2 TYR 5 21.231 5.608 -8.738 25 HE1 TYR 5 HE1 TYR 5 23.635 9.897 -9.297 26 HE2 TYR 5 HE2 TYR 5 23.500 5.868 -7.835 27 HH TYR 5 HH TYR 5 25.241 7.222 -7.573 28 HA PRO 6 HA PRO 6 17.022 9.393 -5.855 29 1HB PRO 6 1HB PRO 6 19.175 8.565 -3.866 30 2HB PRO 6 2HB PRO 6 17.437 8.775 -3.626 31 1HG PRO 6 1HG PRO 6 18.486 6.271 -3.941 32 2HG PRO 6 2HG PRO 6 16.926 6.686 -4.686 33 1HD PRO 6 1HD PRO 6 19.663 6.515 -6.048 34 2HD PRO 6 2HD PRO 6 18.062 5.950 -6.612 35 HA PRO 7 HA PRO 7 20.796 12.528 -5.268 36 1HB PRO 7 1HB PRO 7 22.653 11.426 -7.428 37 2HB PRO 7 2HB PRO 7 23.059 12.302 -5.941 38 1HG PRO 7 1HG PRO 7 23.360 9.601 -6.051 39 2HG PRO 7 2HG PRO 7 22.684 10.341 -4.580 40 1HD PRO 7 1HD PRO 7 21.156 8.947 -6.848 41 2HD PRO 7 2HD PRO 7 20.950 8.787 -5.087 42 H CYS 8 H CYS 8 20.386 11.212 -8.599 43 HA CYS 8 HA CYS 8 20.055 13.854 -9.884 44 1HB CYS 8 2HB CYS 8 20.797 11.747 -11.077 45 2HB CYS 8 1HB CYS 8 19.138 11.134 -11.001 46 H PHE 9 H PHE 9 17.657 11.591 -8.488 47 HA PHE 9 HA PHE 9 15.230 13.052 -9.267 48 1HB PHE 9 1HB PHE 9 15.274 10.690 -8.401 49 2HB PHE 9 2HB PHE 9 15.753 11.250 -6.826 50 HD1 PHE 9 HD1 PHE 9 14.086 12.592 -5.397 51 HD2 PHE 9 HD2 PHE 9 12.916 10.770 -9.115 52 HE1 PHE 9 HE1 PHE 9 11.719 12.785 -4.762 53 HE2 PHE 9 HE2 PHE 9 10.560 10.957 -8.457 54 HZ PHE 9 HZ PHE 9 9.952 11.970 -6.286 55 H ALA 10 H ALA 10 17.227 13.288 -6.274 56 HA ALA 10 HA ALA 10 15.794 15.510 -5.055 57 1HB ALA 10 1HB ALA 10 17.340 14.009 -3.796 58 2HB ALA 10 2HB ALA 10 18.742 14.663 -4.680 59 3HB ALA 10 3HB ALA 10 17.805 15.705 -3.583 60 H THR 11 H THR 11 18.355 15.650 -7.516 61 HA THR 11 HA THR 11 18.725 18.625 -7.139 62 HB THR 11 HB THR 11 20.416 18.461 -8.987 63 HG1 THR 11 HG1 THR 11 19.895 15.688 -8.770 64 1HG2 THR 11 1HG2 THR 11 21.197 18.251 -6.631 65 2HG2 THR 11 2HG2 THR 11 20.949 16.489 -6.683 66 3HG2 THR 11 3HG2 THR 11 22.166 17.249 -7.735 67 H ASN 12 H ASN 12 17.295 16.503 -9.689 68 HA ASN 12 HA ASN 12 16.905 18.815 -11.522 69 1HB ASN 12 2HB ASN 12 16.150 15.850 -11.787 70 2HB ASN 12 1HB ASN 12 15.782 17.041 -13.002 71 1HD2 ASN 12 1HD2 ASN 12 17.450 17.857 -14.319 72 2HD2 ASN 12 2HD2 ASN 12 19.133 17.128 -14.307 73 HA PRO 13 HA PRO 13 12.699 19.760 -9.786 74 1HB PRO 13 2HB PRO 13 12.453 21.232 -12.464 75 2HB PRO 13 1HB PRO 13 11.974 21.777 -10.842 76 1HG PRO 13 1HG PRO 13 14.305 22.664 -11.914 77 2HG PRO 13 2HG PRO 13 14.278 22.172 -10.203 78 1HD PRO 13 1HD PRO 13 15.319 20.569 -12.602 79 2HD PRO 13 2HD PRO 13 16.028 20.773 -10.971 80 H ASP 14 H ASP 14 12.932 18.524 -13.138 81 HA ASP 14 HA ASP 14 10.101 17.824 -13.436 82 1HB ASP 14 1HB ASP 14 11.786 18.115 -15.325 83 2HB ASP 14 2HB ASP 14 12.517 16.581 -14.895 84 H CYS 15 H CYS 15 12.878 15.777 -12.389 85 HA CYS 15 HA CYS 15 11.186 13.408 -11.744 86 1HB CYS 15 1HB CYS 15 14.112 14.106 -11.090 87 2HB CYS 15 2HB CYS 15 13.315 12.639 -10.517 88 1HN NH2 16 1HN NH2 16 13.018 15.564 -9.407 89 2HN NH2 16 2HN NH2 16 11.731 15.390 -8.111 Start of MODEL 4 1 1H GLY 1 1H GLY 1 19.712 6.334 -15.266 2 2H GLY 1 2H GLY 1 18.969 6.015 -16.706 3 3H GLY 1 3H GLY 1 19.425 7.559 -16.336 4 1HA GLY 1 2HA GLY 1 17.000 7.271 -16.090 5 2HA GLY 1 1HA GLY 1 17.319 5.975 -14.941 6 H CYS 2 H CYS 2 17.103 9.366 -15.361 7 HA CYS 2 HA CYS 2 18.453 10.231 -12.875 8 1HB CYS 2 1HB CYS 2 18.196 11.720 -14.878 9 2HB CYS 2 2HB CYS 2 16.451 11.812 -14.589 10 H CYS 3 H CYS 3 14.937 9.946 -13.687 11 HA CYS 3 HA CYS 3 13.969 10.548 -10.974 12 1HB CYS 3 1HB CYS 3 12.580 9.023 -13.268 13 2HB CYS 3 2HB CYS 3 11.787 9.571 -11.791 14 H SER 4 H SER 4 15.238 7.537 -12.267 15 HA SER 4 HA SER 4 14.207 5.910 -9.920 16 1HB SER 4 1HB SER 4 15.265 3.979 -11.003 17 2HB SER 4 2HB SER 4 14.210 4.822 -12.129 18 HG SER 4 HG SER 4 16.079 5.863 -12.969 19 H TYR 5 H TYR 5 17.195 7.592 -10.807 20 HA TYR 5 HA TYR 5 18.827 6.181 -8.711 21 1HB TYR 5 1HB TYR 5 19.782 6.741 -10.928 22 2HB TYR 5 2HB TYR 5 19.509 8.444 -10.659 23 HD1 TYR 5 HD1 TYR 5 21.080 5.744 -8.410 24 HD2 TYR 5 HD2 TYR 5 21.665 9.402 -10.608 25 HE1 TYR 5 HE1 TYR 5 23.387 5.877 -7.595 26 HE2 TYR 5 HE2 TYR 5 23.979 9.501 -9.808 27 HH TYR 5 HH TYR 5 25.545 8.546 -8.558 28 HA PRO 6 HA PRO 6 17.099 9.151 -5.663 29 1HB PRO 6 2HB PRO 6 19.518 8.337 -3.978 30 2HB PRO 6 1HB PRO 6 17.823 8.515 -3.492 31 1HG PRO 6 1HG PRO 6 18.814 6.039 -4.032 32 2HG PRO 6 2HG PRO 6 17.188 6.473 -4.607 33 1HD PRO 6 2HD PRO 6 19.782 6.371 -6.223 34 2HD PRO 6 1HD PRO 6 18.133 5.843 -6.670 35 HA PRO 7 HA PRO 7 20.427 12.597 -5.070 36 1HB PRO 7 1HB PRO 7 22.865 12.533 -6.399 37 2HB PRO 7 2HB PRO 7 22.571 11.842 -4.794 38 1HG PRO 7 2HG PRO 7 22.563 10.402 -7.479 39 2HG PRO 7 1HG PRO 7 23.403 9.907 -5.994 40 1HD PRO 7 1HD PRO 7 20.977 8.833 -6.725 41 2HD PRO 7 2HD PRO 7 21.361 9.095 -5.000 42 H CYS 8 H CYS 8 20.447 11.235 -8.405 43 HA CYS 8 HA CYS 8 20.120 13.842 -9.766 44 1HB CYS 8 2HB CYS 8 20.950 11.690 -10.865 45 2HB CYS 8 1HB CYS 8 19.284 11.094 -10.885 46 H PHE 9 H PHE 9 17.730 11.571 -8.387 47 HA PHE 9 HA PHE 9 15.297 12.962 -9.288 48 1HB PHE 9 1HB PHE 9 15.318 10.632 -8.383 49 2HB PHE 9 2HB PHE 9 15.795 11.204 -6.811 50 HD1 PHE 9 HD1 PHE 9 12.954 10.781 -9.130 51 HD2 PHE 9 HD2 PHE 9 14.136 12.497 -5.366 52 HE1 PHE 9 HE1 PHE 9 10.598 10.980 -8.473 53 HE2 PHE 9 HE2 PHE 9 11.770 12.704 -4.732 54 HZ PHE 9 HZ PHE 9 9.997 11.948 -6.280 55 H ALA 10 H ALA 10 17.211 13.295 -6.247 56 HA ALA 10 HA ALA 10 15.769 15.602 -5.173 57 1HB ALA 10 1HB ALA 10 18.682 14.709 -4.656 58 2HB ALA 10 2HB ALA 10 17.733 15.826 -3.646 59 3HB ALA 10 3HB ALA 10 17.236 14.132 -3.787 60 H THR 11 H THR 11 18.295 15.554 -7.641 61 HA THR 11 HA THR 11 18.844 18.514 -7.377 62 HB THR 11 HB THR 11 20.015 16.469 -9.351 63 HG1 THR 11 HG1 THR 11 20.471 16.089 -7.162 64 1HG2 THR 11 1HG2 THR 11 21.895 18.111 -9.616 65 2HG2 THR 11 2HG2 THR 11 21.021 19.303 -8.622 66 3HG2 THR 11 3HG2 THR 11 20.373 18.807 -10.206 67 H ASN 12 H ASN 12 17.179 16.362 -9.746 68 HA ASN 12 HA ASN 12 16.831 18.586 -11.693 69 1HB ASN 12 1HB ASN 12 17.360 16.236 -12.368 70 2HB ASN 12 2HB ASN 12 15.811 15.691 -11.768 71 1HD2 ASN 12 1HD2 ASN 12 17.344 17.780 -14.207 72 2HD2 ASN 12 2HD2 ASN 12 15.949 17.675 -15.395 73 HA PRO 13 HA PRO 13 12.734 19.843 -9.824 74 1HB PRO 13 2HB PRO 13 12.479 21.230 -12.543 75 2HB PRO 13 1HB PRO 13 12.101 21.860 -10.926 76 1HG PRO 13 2HG PRO 13 14.431 22.568 -12.129 77 2HG PRO 13 1HG PRO 13 14.447 22.151 -10.399 78 1HD PRO 13 2HD PRO 13 15.289 20.384 -12.764 79 2HD PRO 13 1HD PRO 13 16.087 20.625 -11.180 80 H ASP 14 H ASP 14 12.810 18.553 -13.169 81 HA ASP 14 HA ASP 14 9.964 17.855 -13.320 82 1HB ASP 14 1HB ASP 14 11.558 18.121 -15.294 83 2HB ASP 14 2HB ASP 14 12.307 16.592 -14.878 84 H CYS 15 H CYS 15 12.792 15.868 -12.309 85 HA CYS 15 HA CYS 15 11.192 13.452 -11.657 86 1HB CYS 15 1HB CYS 15 14.062 14.275 -10.897 87 2HB CYS 15 2HB CYS 15 13.313 12.751 -10.417 88 1HN NH2 16 1HN NH2 16 12.893 15.673 -9.280 89 2HN NH2 16 2HN NH2 16 11.590 15.443 -8.008 Start of MODEL 5 1 1H GLY 1 1H GLY 1 19.299 7.726 -16.500 2 2H GLY 1 2H GLY 1 19.788 6.527 -15.475 3 3H GLY 1 3H GLY 1 18.969 6.147 -16.858 4 1HA GLY 1 1HA GLY 1 16.940 7.197 -16.072 5 2HA GLY 1 2HA GLY 1 17.475 5.930 -14.971 6 H CYS 2 H CYS 2 17.002 9.322 -15.369 7 HA CYS 2 HA CYS 2 18.406 10.224 -12.917 8 1HB CYS 2 1HB CYS 2 18.067 11.700 -14.922 9 2HB CYS 2 2HB CYS 2 16.331 11.767 -14.577 10 H CYS 3 H CYS 3 14.879 9.868 -13.657 11 HA CYS 3 HA CYS 3 13.959 10.530 -10.952 12 1HB CYS 3 1HB CYS 3 12.534 8.940 -13.177 13 2HB CYS 3 2HB CYS 3 11.764 9.525 -11.703 14 H SER 4 H SER 4 15.132 7.425 -12.201 15 HA SER 4 HA SER 4 14.162 5.915 -9.757 16 1HB SER 4 1HB SER 4 15.839 4.998 -12.171 17 2HB SER 4 2HB SER 4 15.326 3.961 -10.841 18 HG SER 4 HG SER 4 13.610 5.446 -12.536 19 H TYR 5 H TYR 5 17.132 7.557 -10.763 20 HA TYR 5 HA TYR 5 18.819 6.171 -8.686 21 1HB TYR 5 1HB TYR 5 19.732 6.701 -10.928 22 2HB TYR 5 2HB TYR 5 19.454 8.406 -10.682 23 HD1 TYR 5 HD1 TYR 5 21.073 5.796 -8.364 24 HD2 TYR 5 HD2 TYR 5 21.618 9.349 -10.738 25 HE1 TYR 5 HE1 TYR 5 23.396 5.961 -7.602 26 HE2 TYR 5 HE2 TYR 5 23.947 9.479 -9.991 27 HH TYR 5 HH TYR 5 25.304 7.088 -7.722 28 HA PRO 6 HA PRO 6 17.148 9.179 -5.635 29 1HB PRO 6 2HB PRO 6 19.614 8.362 -4.023 30 2HB PRO 6 1HB PRO 6 17.941 8.585 -3.477 31 1HG PRO 6 2HG PRO 6 18.842 6.084 -4.017 32 2HG PRO 6 1HG PRO 6 17.215 6.550 -4.562 33 1HD PRO 6 2HD PRO 6 19.780 6.369 -6.224 34 2HD PRO 6 1HD PRO 6 18.113 5.863 -6.634 35 HA PRO 7 HA PRO 7 20.521 12.616 -5.158 36 1HB PRO 7 2HB PRO 7 22.909 12.530 -6.569 37 2HB PRO 7 1HB PRO 7 22.665 11.824 -4.964 38 1HG PRO 7 2HG PRO 7 22.534 10.397 -7.643 39 2HG PRO 7 1HG PRO 7 23.441 9.899 -6.197 40 1HD PRO 7 2HD PRO 7 20.984 8.833 -6.800 41 2HD PRO 7 1HD PRO 7 21.437 9.121 -5.096 42 H CYS 8 H CYS 8 20.485 11.247 -8.483 43 HA CYS 8 HA CYS 8 20.111 13.830 -9.862 44 1HB CYS 8 1HB CYS 8 20.911 11.668 -10.957 45 2HB CYS 8 2HB CYS 8 19.243 11.077 -10.938 46 H PHE 9 H PHE 9 17.731 11.546 -8.465 47 HA PHE 9 HA PHE 9 15.290 12.950 -9.310 48 1HB PHE 9 1HB PHE 9 15.310 10.616 -8.436 49 2HB PHE 9 2HB PHE 9 15.837 11.157 -6.869 50 HD1 PHE 9 HD1 PHE 9 14.230 12.387 -5.335 51 HD2 PHE 9 HD2 PHE 9 12.920 10.839 -9.130 52 HE1 PHE 9 HE1 PHE 9 11.885 12.609 -4.631 53 HE2 PHE 9 HE2 PHE 9 10.587 11.055 -8.405 54 HZ PHE 9 HZ PHE 9 10.060 11.946 -6.161 55 H ALA 10 H ALA 10 17.231 13.258 -6.285 56 HA ALA 10 HA ALA 10 15.738 15.470 -5.122 57 1HB ALA 10 1HB ALA 10 18.694 14.689 -4.681 58 2HB ALA 10 2HB ALA 10 17.289 14.018 -3.814 59 3HB ALA 10 3HB ALA 10 17.715 15.726 -3.617 60 H THR 11 H THR 11 18.378 15.624 -7.504 61 HA THR 11 HA THR 11 18.634 18.620 -7.201 62 HB THR 11 HB THR 11 20.411 18.457 -8.965 63 HG1 THR 11 HG1 THR 11 19.616 16.592 -9.973 64 1HG2 THR 11 1HG2 THR 11 20.902 16.547 -6.601 65 2HG2 THR 11 2HG2 THR 11 22.138 17.326 -7.616 66 3HG2 THR 11 3HG2 THR 11 21.094 18.317 -6.572 67 H ASN 12 H ASN 12 17.135 16.411 -9.578 68 HA ASN 12 HA ASN 12 16.873 18.569 -11.625 69 1HB ASN 12 1HB ASN 12 17.405 16.206 -12.224 70 2HB ASN 12 2HB ASN 12 15.845 15.680 -11.635 71 1HD2 ASN 12 1HD2 ASN 12 17.396 17.749 -14.091 72 2HD2 ASN 12 2HD2 ASN 12 16.031 17.582 -15.306 73 HA PRO 13 HA PRO 13 12.748 19.907 -9.886 74 1HB PRO 13 2HB PRO 13 12.558 21.210 -12.653 75 2HB PRO 13 1HB PRO 13 12.149 21.892 -11.065 76 1HG PRO 13 1HG PRO 13 14.508 22.550 -12.239 77 2HG PRO 13 2HG PRO 13 14.485 22.187 -10.496 78 1HD PRO 13 2HD PRO 13 15.367 20.343 -12.787 79 2HD PRO 13 1HD PRO 13 16.133 20.628 -11.194 80 H ASP 14 H ASP 14 12.880 18.512 -13.195 81 HA ASP 14 HA ASP 14 10.016 17.850 -13.368 82 1HB ASP 14 1HB ASP 14 12.393 16.634 -14.909 83 2HB ASP 14 2HB ASP 14 10.713 16.275 -15.240 84 H CYS 15 H CYS 15 12.818 15.847 -12.324 85 HA CYS 15 HA CYS 15 11.177 13.452 -11.685 86 1HB CYS 15 1HB CYS 15 14.063 14.232 -10.946 87 2HB CYS 15 2HB CYS 15 13.296 12.730 -10.434 88 1HN NH2 16 1HN NH2 16 12.899 15.672 -9.323 89 2HN NH2 16 2HN NH2 16 11.605 15.447 -8.042 Start of MODEL 6 1 1H GLY 1 1H GLY 1 19.313 7.778 -16.491 2 2H GLY 1 2H GLY 1 19.822 6.585 -15.467 3 3H GLY 1 3H GLY 1 19.013 6.194 -16.853 4 1HA GLY 1 2HA GLY 1 16.963 7.205 -16.068 5 2HA GLY 1 1HA GLY 1 17.518 5.945 -14.970 6 H CYS 2 H CYS 2 16.982 9.329 -15.357 7 HA CYS 2 HA CYS 2 18.366 10.242 -12.898 8 1HB CYS 2 2HB CYS 2 18.004 11.728 -14.898 9 2HB CYS 2 1HB CYS 2 16.266 11.768 -14.555 10 H CYS 3 H CYS 3 14.850 9.827 -13.653 11 HA CYS 3 HA CYS 3 13.916 10.464 -10.942 12 1HB CYS 3 1HB CYS 3 12.512 8.891 -13.193 13 2HB CYS 3 2HB CYS 3 11.731 9.446 -11.713 14 H SER 4 H SER 4 15.158 7.412 -12.201 15 HA SER 4 HA SER 4 14.154 5.842 -9.798 16 1HB SER 4 2HB SER 4 15.893 4.941 -12.179 17 2HB SER 4 1HB SER 4 15.343 3.898 -10.864 18 HG SER 4 HG SER 4 13.984 3.821 -12.653 19 H TYR 5 H TYR 5 17.160 7.457 -10.799 20 HA TYR 5 HA TYR 5 18.790 6.151 -8.628 21 1HB TYR 5 2HB TYR 5 19.755 6.602 -10.862 22 2HB TYR 5 1HB TYR 5 19.470 8.313 -10.685 23 HD1 TYR 5 HD1 TYR 5 21.409 9.565 -10.136 24 HD2 TYR 5 HD2 TYR 5 21.176 5.512 -8.709 25 HE1 TYR 5 HE1 TYR 5 23.672 9.755 -9.213 26 HE2 TYR 5 HE2 TYR 5 23.438 5.722 -7.774 27 HH TYR 5 HH TYR 5 25.202 7.040 -7.482 28 HA PRO 6 HA PRO 6 17.000 9.376 -5.870 29 1HB PRO 6 1HB PRO 6 19.103 8.494 -3.850 30 2HB PRO 6 2HB PRO 6 17.366 8.741 -3.638 31 1HG PRO 6 1HG PRO 6 18.366 6.216 -3.944 32 2HG PRO 6 2HG PRO 6 16.827 6.666 -4.713 33 1HD PRO 6 2HD PRO 6 19.582 6.442 -6.031 34 2HD PRO 6 1HD PRO 6 17.979 5.913 -6.622 35 HA PRO 7 HA PRO 7 20.837 12.423 -5.213 36 1HB PRO 7 1HB PRO 7 22.698 11.285 -7.352 37 2HB PRO 7 2HB PRO 7 23.103 12.147 -5.855 38 1HG PRO 7 1HG PRO 7 23.343 9.440 -5.970 39 2HG PRO 7 2HG PRO 7 22.664 10.191 -4.506 40 1HD PRO 7 2HD PRO 7 21.137 8.839 -6.800 41 2HD PRO 7 1HD PRO 7 20.902 8.678 -5.042 42 H CYS 8 H CYS 8 20.446 11.126 -8.555 43 HA CYS 8 HA CYS 8 20.187 13.773 -9.839 44 1HB CYS 8 2HB CYS 8 20.878 11.660 -11.040 45 2HB CYS 8 1HB CYS 8 19.204 11.086 -10.972 46 H PHE 9 H PHE 9 17.714 11.546 -8.502 47 HA PHE 9 HA PHE 9 15.322 13.028 -9.297 48 1HB PHE 9 1HB PHE 9 15.337 10.685 -8.397 49 2HB PHE 9 2HB PHE 9 15.828 11.258 -6.830 50 HD1 PHE 9 HD1 PHE 9 14.184 12.621 -5.400 51 HD2 PHE 9 HD2 PHE 9 12.970 10.765 -9.086 52 HE1 PHE 9 HE1 PHE 9 11.825 12.821 -4.740 53 HE2 PHE 9 HE2 PHE 9 10.622 10.958 -8.403 54 HZ PHE 9 HZ PHE 9 10.040 11.992 -6.235 55 H ALA 10 H ALA 10 17.323 13.341 -6.320 56 HA ALA 10 HA ALA 10 15.809 15.474 -5.074 57 1HB ALA 10 1HB ALA 10 18.803 14.798 -4.736 58 2HB ALA 10 2HB ALA 10 17.818 15.773 -3.620 59 3HB ALA 10 3HB ALA 10 17.449 14.055 -3.847 60 H THR 11 H THR 11 18.498 15.808 -7.416 61 HA THR 11 HA THR 11 18.464 18.814 -7.115 62 HB THR 11 HB THR 11 20.621 17.614 -7.215 63 HG1 THR 11 HG1 THR 11 20.126 19.378 -9.360 64 1HG2 THR 11 1HG2 THR 11 21.615 16.831 -9.341 65 2HG2 THR 11 2HG2 THR 11 20.091 17.106 -10.219 66 3HG2 THR 11 3HG2 THR 11 20.186 15.842 -8.969 67 H ASN 12 H ASN 12 17.120 16.516 -9.454 68 HA ASN 12 HA ASN 12 16.860 18.582 -11.602 69 1HB ASN 12 1HB ASN 12 17.430 16.205 -12.101 70 2HB ASN 12 2HB ASN 12 15.871 15.681 -11.504 71 1HD2 ASN 12 1HD2 ASN 12 17.414 17.681 -14.024 72 2HD2 ASN 12 2HD2 ASN 12 16.065 17.443 -15.245 73 HA PRO 13 HA PRO 13 12.702 19.912 -9.934 74 1HB PRO 13 1HB PRO 13 12.528 21.166 -12.723 75 2HB PRO 13 2HB PRO 13 12.102 21.873 -11.151 76 1HG PRO 13 1HG PRO 13 14.463 22.530 -12.322 77 2HG PRO 13 2HG PRO 13 14.431 22.200 -10.573 78 1HD PRO 13 1HD PRO 13 15.343 20.317 -12.821 79 2HD PRO 13 2HD PRO 13 16.099 20.646 -11.232 80 H ASP 14 H ASP 14 12.903 18.448 -13.206 81 HA ASP 14 HA ASP 14 10.044 17.778 -13.425 82 1HB ASP 14 1HB ASP 14 12.454 16.539 -14.894 83 2HB ASP 14 2HB ASP 14 10.782 16.170 -15.252 84 H CYS 15 H CYS 15 12.837 15.764 -12.324 85 HA CYS 15 HA CYS 15 11.170 13.405 -11.662 86 1HB CYS 15 2HB CYS 15 14.072 14.188 -10.981 87 2HB CYS 15 1HB CYS 15 13.314 12.696 -10.439 88 1HN NH2 16 1HN NH2 16 12.934 15.634 -9.336 89 2HN NH2 16 2HN NH2 16 11.653 15.427 -8.039 Start of MODEL 7 1 1H GLY 1 1H GLY 1 18.965 6.186 -16.891 2 2H GLY 1 2H GLY 1 19.792 6.564 -15.512 3 3H GLY 1 3H GLY 1 19.285 7.765 -16.526 4 1HA GLY 1 2HA GLY 1 16.934 7.216 -16.081 5 2HA GLY 1 1HA GLY 1 17.487 5.945 -14.993 6 H CYS 2 H CYS 2 16.988 9.337 -15.365 7 HA CYS 2 HA CYS 2 18.403 10.226 -12.913 8 1HB CYS 2 2HB CYS 2 18.054 11.715 -14.912 9 2HB CYS 2 1HB CYS 2 16.318 11.778 -14.564 10 H CYS 3 H CYS 3 14.874 9.868 -13.647 11 HA CYS 3 HA CYS 3 13.963 10.528 -10.939 12 1HB CYS 3 1HB CYS 3 12.526 8.942 -13.161 13 2HB CYS 3 2HB CYS 3 11.763 9.535 -11.686 14 H SER 4 H SER 4 15.133 7.436 -12.186 15 HA SER 4 HA SER 4 14.154 5.928 -9.737 16 1HB SER 4 1HB SER 4 14.091 4.861 -12.028 17 2HB SER 4 2HB SER 4 15.857 4.920 -12.099 18 HG SER 4 HG SER 4 15.047 2.952 -11.335 19 H TYR 5 H TYR 5 17.125 7.554 -10.765 20 HA TYR 5 HA TYR 5 18.824 6.165 -8.702 21 1HB TYR 5 1HB TYR 5 19.725 6.699 -10.945 22 2HB TYR 5 2HB TYR 5 19.450 8.405 -10.694 23 HD1 TYR 5 HD1 TYR 5 21.088 5.737 -8.455 24 HD2 TYR 5 HD2 TYR 5 21.596 9.384 -10.689 25 HE1 TYR 5 HE1 TYR 5 23.411 5.894 -7.689 26 HE2 TYR 5 HE2 TYR 5 23.925 9.509 -9.937 27 HH TYR 5 HH TYR 5 25.306 7.047 -7.760 28 HA PRO 6 HA PRO 6 17.152 9.166 -5.657 29 1HB PRO 6 2HB PRO 6 19.602 8.378 -4.004 30 2HB PRO 6 1HB PRO 6 17.915 8.556 -3.492 31 1HG PRO 6 1HG PRO 6 18.907 6.078 -4.022 32 2HG PRO 6 2HG PRO 6 17.269 6.499 -4.573 33 1HD PRO 6 1HD PRO 6 19.836 6.389 -6.234 34 2HD PRO 6 2HD PRO 6 18.181 5.849 -6.644 35 HA PRO 7 HA PRO 7 20.482 12.624 -5.148 36 1HB PRO 7 1HB PRO 7 22.901 12.554 -6.508 37 2HB PRO 7 2HB PRO 7 22.630 11.869 -4.897 38 1HG PRO 7 2HG PRO 7 22.585 10.418 -7.575 39 2HG PRO 7 1HG PRO 7 23.448 9.930 -6.101 40 1HD PRO 7 1HD PRO 7 21.012 8.851 -6.791 41 2HD PRO 7 2HD PRO 7 21.423 9.120 -5.073 42 H CYS 8 H CYS 8 20.449 11.234 -8.469 43 HA CYS 8 HA CYS 8 20.109 13.828 -9.850 44 1HB CYS 8 2HB CYS 8 20.909 11.674 -10.952 45 2HB CYS 8 1HB CYS 8 19.243 11.078 -10.931 46 H PHE 9 H PHE 9 17.726 11.541 -8.460 47 HA PHE 9 HA PHE 9 15.286 12.949 -9.299 48 1HB PHE 9 1HB PHE 9 15.305 10.614 -8.427 49 2HB PHE 9 2HB PHE 9 15.832 11.154 -6.859 50 HD1 PHE 9 HD1 PHE 9 12.915 10.839 -9.120 51 HD2 PHE 9 HD2 PHE 9 14.227 12.385 -5.326 52 HE1 PHE 9 HE1 PHE 9 10.582 11.059 -8.396 53 HE2 PHE 9 HE2 PHE 9 11.883 12.610 -4.622 54 HZ PHE 9 HZ PHE 9 10.056 11.951 -6.152 55 H ALA 10 H ALA 10 17.237 13.257 -6.281 56 HA ALA 10 HA ALA 10 15.749 15.468 -5.111 57 1HB ALA 10 1HB ALA 10 18.709 14.692 -4.688 58 2HB ALA 10 2HB ALA 10 17.310 14.020 -3.811 59 3HB ALA 10 3HB ALA 10 17.735 15.729 -3.619 60 H THR 11 H THR 11 18.380 15.623 -7.504 61 HA THR 11 HA THR 11 18.628 18.620 -7.208 62 HB THR 11 HB THR 11 20.403 18.459 -8.975 63 HG1 THR 11 HG1 THR 11 19.953 15.678 -8.710 64 1HG2 THR 11 1HG2 THR 11 20.903 16.557 -6.607 65 2HG2 THR 11 2HG2 THR 11 21.091 18.328 -6.584 66 3HG2 THR 11 3HG2 THR 11 22.135 17.335 -7.627 67 H ASN 12 H ASN 12 17.127 16.405 -9.576 68 HA ASN 12 HA ASN 12 16.873 18.553 -11.634 69 1HB ASN 12 1HB ASN 12 17.397 16.176 -12.208 70 2HB ASN 12 2HB ASN 12 15.824 15.670 -11.635 71 1HD2 ASN 12 1HD2 ASN 12 17.456 17.647 -14.101 72 2HD2 ASN 12 2HD2 ASN 12 16.092 17.522 -15.323 73 HA PRO 13 HA PRO 13 12.748 19.909 -9.908 74 1HB PRO 13 2HB PRO 13 12.568 21.211 -12.675 75 2HB PRO 13 1HB PRO 13 12.161 21.896 -11.088 76 1HG PRO 13 2HG PRO 13 14.523 22.543 -12.262 77 2HG PRO 13 1HG PRO 13 14.498 22.182 -10.519 78 1HD PRO 13 2HD PRO 13 15.373 20.330 -12.806 79 2HD PRO 13 1HD PRO 13 16.139 20.616 -11.213 80 H ASP 14 H ASP 14 12.885 18.516 -13.210 81 HA ASP 14 HA ASP 14 10.029 17.853 -13.395 82 1HB ASP 14 1HB ASP 14 11.652 18.069 -15.350 83 2HB ASP 14 2HB ASP 14 12.380 16.540 -14.899 84 H CYS 15 H CYS 15 12.823 15.838 -12.337 85 HA CYS 15 HA CYS 15 11.179 13.455 -11.674 86 1HB CYS 15 1HB CYS 15 14.065 14.233 -10.930 87 2HB CYS 15 2HB CYS 15 13.294 12.732 -10.420 88 1HN NH2 16 1HN NH2 16 12.900 15.683 -9.316 89 2HN NH2 16 2HN NH2 16 11.605 15.460 -8.036 Start of MODEL 8 1 1H GLY 1 1H GLY 1 15.706 6.771 -15.199 2 2H GLY 1 2H GLY 1 16.406 5.451 -15.903 3 3H GLY 1 3H GLY 1 16.483 5.652 -14.265 4 1HA GLY 1 2HA GLY 1 18.630 6.189 -15.300 5 2HA GLY 1 1HA GLY 1 17.810 7.378 -16.310 6 H CYS 2 H CYS 2 17.185 9.334 -15.385 7 HA CYS 2 HA CYS 2 18.572 10.224 -12.908 8 1HB CYS 2 2HB CYS 2 18.325 11.709 -14.921 9 2HB CYS 2 1HB CYS 2 16.578 11.807 -14.640 10 H CYS 3 H CYS 3 15.067 9.923 -13.759 11 HA CYS 3 HA CYS 3 14.063 10.523 -11.062 12 1HB CYS 3 1HB CYS 3 12.715 8.986 -13.373 13 2HB CYS 3 2HB CYS 3 11.899 9.521 -11.904 14 H SER 4 H SER 4 15.370 7.509 -12.326 15 HA SER 4 HA SER 4 14.297 5.881 -9.992 16 1HB SER 4 2HB SER 4 16.157 5.044 -12.304 17 2HB SER 4 1HB SER 4 15.544 3.973 -11.041 18 HG SER 4 HG SER 4 13.965 5.483 -12.845 19 H TYR 5 H TYR 5 17.308 7.563 -10.853 20 HA TYR 5 HA TYR 5 18.901 6.171 -8.715 21 1HB TYR 5 1HB TYR 5 19.893 6.710 -10.921 22 2HB TYR 5 2HB TYR 5 19.620 8.416 -10.671 23 HD1 TYR 5 HD1 TYR 5 21.150 5.728 -8.380 24 HD2 TYR 5 HD2 TYR 5 21.774 9.374 -10.585 25 HE1 TYR 5 HE1 TYR 5 23.442 5.865 -7.523 26 HE2 TYR 5 HE2 TYR 5 24.073 9.479 -9.743 27 HH TYR 5 HH TYR 5 25.616 8.531 -8.459 28 HA PRO 6 HA PRO 6 17.144 9.151 -5.701 29 1HB PRO 6 1HB PRO 6 19.553 8.335 -4.003 30 2HB PRO 6 2HB PRO 6 17.859 8.543 -3.521 31 1HG PRO 6 2HG PRO 6 18.798 6.053 -4.048 32 2HG PRO 6 1HG PRO 6 17.189 6.513 -4.646 33 1HD PRO 6 2HD PRO 6 19.810 6.359 -6.220 34 2HD PRO 6 1HD PRO 6 18.160 5.850 -6.690 35 HA PRO 7 HA PRO 7 20.453 12.613 -5.086 36 1HB PRO 7 1HB PRO 7 22.912 12.550 -6.375 37 2HB PRO 7 2HB PRO 7 22.594 11.859 -4.774 38 1HG PRO 7 2HG PRO 7 22.629 10.418 -7.458 39 2HG PRO 7 1HG PRO 7 23.450 9.926 -5.961 40 1HD PRO 7 1HD PRO 7 21.036 8.845 -6.724 41 2HD PRO 7 2HD PRO 7 21.397 9.112 -4.994 42 H CYS 8 H CYS 8 20.533 11.237 -8.412 43 HA CYS 8 HA CYS 8 20.244 13.820 -9.811 44 1HB CYS 8 2HB CYS 8 21.039 11.643 -10.875 45 2HB CYS 8 1HB CYS 8 19.361 11.079 -10.901 46 H PHE 9 H PHE 9 17.799 11.535 -8.529 47 HA PHE 9 HA PHE 9 15.389 12.970 -9.382 48 1HB PHE 9 1HB PHE 9 15.399 10.622 -8.536 49 2HB PHE 9 2HB PHE 9 15.891 11.147 -6.953 50 HD1 PHE 9 HD1 PHE 9 14.248 12.413 -5.459 51 HD2 PHE 9 HD2 PHE 9 13.023 10.763 -9.239 52 HE1 PHE 9 HE1 PHE 9 11.890 12.596 -4.790 53 HE2 PHE 9 HE2 PHE 9 10.677 10.940 -8.549 54 HZ PHE 9 HZ PHE 9 10.100 11.863 -6.330 55 H ALA 10 H ALA 10 17.312 13.262 -6.350 56 HA ALA 10 HA ALA 10 15.728 15.339 -5.103 57 1HB ALA 10 1HB ALA 10 18.727 14.720 -4.701 58 2HB ALA 10 2HB ALA 10 17.367 13.925 -3.867 59 3HB ALA 10 3HB ALA 10 17.690 15.644 -3.589 60 H THR 11 H THR 11 18.448 15.786 -7.388 61 HA THR 11 HA THR 11 18.364 18.780 -6.996 62 HB THR 11 HB THR 11 20.540 17.601 -7.113 63 HG1 THR 11 HG1 THR 11 20.261 19.769 -7.626 64 1HG2 THR 11 1HG2 THR 11 20.134 15.910 -8.965 65 2HG2 THR 11 2HG2 THR 11 21.568 16.920 -9.251 66 3HG2 THR 11 3HG2 THR 11 20.064 17.238 -10.146 67 H ASN 12 H ASN 12 17.088 16.535 -9.423 68 HA ASN 12 HA ASN 12 16.848 18.652 -11.517 69 1HB ASN 12 1HB ASN 12 17.451 16.286 -12.050 70 2HB ASN 12 2HB ASN 12 15.875 15.744 -11.520 71 1HD2 ASN 12 1HD2 ASN 12 17.533 17.737 -13.955 72 2HD2 ASN 12 2HD2 ASN 12 16.210 17.570 -15.216 73 HA PRO 13 HA PRO 13 12.646 19.910 -9.909 74 1HB PRO 13 1HB PRO 13 12.509 21.217 -12.676 75 2HB PRO 13 2HB PRO 13 12.048 21.889 -11.098 76 1HG PRO 13 2HG PRO 13 14.425 22.589 -12.212 77 2HG PRO 13 1HG PRO 13 14.363 22.225 -10.471 78 1HD PRO 13 2HD PRO 13 15.335 20.396 -12.737 79 2HD PRO 13 1HD PRO 13 16.056 20.698 -11.127 80 H ASP 14 H ASP 14 12.907 18.530 -13.209 81 HA ASP 14 HA ASP 14 10.070 17.809 -13.472 82 1HB ASP 14 1HB ASP 14 11.731 18.080 -15.386 83 2HB ASP 14 2HB ASP 14 12.486 16.565 -14.930 84 H CYS 15 H CYS 15 12.884 15.847 -12.371 85 HA CYS 15 HA CYS 15 11.274 13.423 -11.771 86 1HB CYS 15 1HB CYS 15 14.133 14.238 -10.969 87 2HB CYS 15 2HB CYS 15 13.382 12.713 -10.505 88 1HN NH2 16 1HN NH2 16 12.923 15.645 -9.357 89 2HN NH2 16 2HN NH2 16 11.614 15.380 -8.098 Start of MODEL 9 1 1H GLY 1 1H GLY 1 16.622 5.705 -14.281 2 2H GLY 1 2H GLY 1 16.558 5.511 -15.920 3 3H GLY 1 3H GLY 1 15.803 6.798 -15.210 4 1HA GLY 1 2HA GLY 1 18.748 6.336 -15.306 5 2HA GLY 1 1HA GLY 1 17.884 7.498 -16.311 6 H CYS 2 H CYS 2 17.175 9.420 -15.374 7 HA CYS 2 HA CYS 2 18.523 10.351 -12.894 8 1HB CYS 2 1HB CYS 2 18.213 11.842 -14.888 9 2HB CYS 2 2HB CYS 2 16.464 11.860 -14.605 10 H CYS 3 H CYS 3 15.033 9.912 -13.738 11 HA CYS 3 HA CYS 3 14.023 10.463 -11.028 12 1HB CYS 3 1HB CYS 3 12.702 8.924 -13.353 13 2HB CYS 3 2HB CYS 3 11.880 9.427 -11.877 14 H SER 4 H SER 4 15.415 7.506 -12.328 15 HA SER 4 HA SER 4 14.365 5.809 -10.034 16 1HB SER 4 2HB SER 4 16.263 5.059 -12.344 17 2HB SER 4 1HB SER 4 15.667 3.952 -11.106 18 HG SER 4 HG SER 4 14.426 3.900 -12.979 19 H TYR 5 H TYR 5 17.356 7.546 -10.867 20 HA TYR 5 HA TYR 5 18.941 6.224 -8.665 21 1HB TYR 5 1HB TYR 5 19.980 6.726 -10.857 22 2HB TYR 5 2HB TYR 5 19.651 8.429 -10.676 23 HD1 TYR 5 HD1 TYR 5 21.541 9.716 -10.050 24 HD2 TYR 5 HD2 TYR 5 21.346 5.647 -8.664 25 HE1 TYR 5 HE1 TYR 5 23.768 9.945 -9.049 26 HE2 TYR 5 HE2 TYR 5 23.570 5.895 -7.652 27 HH TYR 5 HH TYR 5 25.378 8.961 -7.883 28 HA PRO 6 HA PRO 6 17.003 9.350 -5.903 29 1HB PRO 6 1HB PRO 6 19.083 8.478 -3.859 30 2HB PRO 6 2HB PRO 6 17.339 8.705 -3.673 31 1HG PRO 6 2HG PRO 6 18.353 6.199 -4.011 32 2HG PRO 6 1HG PRO 6 16.838 6.654 -4.819 33 1HD PRO 6 2HD PRO 6 19.643 6.478 -6.044 34 2HD PRO 6 1HD PRO 6 18.068 5.937 -6.698 35 HA PRO 7 HA PRO 7 20.725 12.506 -5.113 36 1HB PRO 7 1HB PRO 7 22.677 11.451 -7.212 37 2HB PRO 7 2HB PRO 7 23.015 12.306 -5.696 38 1HG PRO 7 1HG PRO 7 23.342 9.610 -5.836 39 2HG PRO 7 2HG PRO 7 22.601 10.320 -4.382 40 1HD PRO 7 1HD PRO 7 21.177 8.954 -6.734 41 2HD PRO 7 2HD PRO 7 20.903 8.760 -4.986 42 H CYS 8 H CYS 8 20.455 11.231 -8.473 43 HA CYS 8 HA CYS 8 20.132 13.891 -9.729 44 1HB CYS 8 2HB CYS 8 20.954 11.810 -10.928 45 2HB CYS 8 1HB CYS 8 19.298 11.185 -10.939 46 H PHE 9 H PHE 9 17.731 11.591 -8.410 47 HA PHE 9 HA PHE 9 15.305 12.986 -9.306 48 1HB PHE 9 1HB PHE 9 15.355 10.641 -8.410 49 2HB PHE 9 2HB PHE 9 15.773 11.224 -6.826 50 HD1 PHE 9 HD1 PHE 9 14.043 12.553 -5.462 51 HD2 PHE 9 HD2 PHE 9 13.016 10.667 -9.190 52 HE1 PHE 9 HE1 PHE 9 11.656 12.706 -4.897 53 HE2 PHE 9 HE2 PHE 9 10.639 10.814 -8.602 54 HZ PHE 9 HZ PHE 9 9.949 11.839 -6.461 55 H ALA 10 H ALA 10 17.167 13.294 -6.233 56 HA ALA 10 HA ALA 10 15.657 15.515 -5.108 57 1HB ALA 10 1HB ALA 10 17.171 14.059 -3.762 58 2HB ALA 10 2HB ALA 10 17.604 15.765 -3.562 59 3HB ALA 10 3HB ALA 10 18.599 14.718 -4.601 60 H THR 11 H THR 11 18.341 15.647 -7.442 61 HA THR 11 HA THR 11 18.602 18.644 -7.147 62 HB THR 11 HB THR 11 20.405 18.476 -8.878 63 HG1 THR 11 HG1 THR 11 21.130 16.418 -9.413 64 1HG2 THR 11 1HG2 THR 11 22.110 17.340 -7.506 65 2HG2 THR 11 2HG2 THR 11 21.051 18.327 -6.473 66 3HG2 THR 11 3HG2 THR 11 20.858 16.557 -6.514 67 H ASN 12 H ASN 12 17.143 16.420 -9.537 68 HA ASN 12 HA ASN 12 16.880 18.577 -11.588 69 1HB ASN 12 1HB ASN 12 17.440 16.209 -12.174 70 2HB ASN 12 2HB ASN 12 15.870 15.680 -11.616 71 1HD2 ASN 12 1HD2 ASN 12 17.493 17.699 -14.055 72 2HD2 ASN 12 2HD2 ASN 12 16.140 17.564 -15.288 73 HA PRO 13 HA PRO 13 12.722 19.850 -9.872 74 1HB PRO 13 2HB PRO 13 12.545 21.191 -12.621 75 2HB PRO 13 1HB PRO 13 12.117 21.847 -11.027 76 1HG PRO 13 1HG PRO 13 14.479 22.544 -12.174 77 2HG PRO 13 2HG PRO 13 14.446 22.158 -10.437 78 1HD PRO 13 1HD PRO 13 15.363 20.351 -12.743 79 2HD PRO 13 2HD PRO 13 16.115 20.626 -11.143 80 H ASP 14 H ASP 14 12.913 18.505 -13.192 81 HA ASP 14 HA ASP 14 10.069 17.817 -13.423 82 1HB ASP 14 1HB ASP 14 11.715 18.078 -15.352 83 2HB ASP 14 2HB ASP 14 12.450 16.548 -14.915 84 H CYS 15 H CYS 15 12.865 15.806 -12.362 85 HA CYS 15 HA CYS 15 11.226 13.404 -11.752 86 1HB CYS 15 1HB CYS 15 14.102 14.181 -10.969 87 2HB CYS 15 2HB CYS 15 13.332 12.665 -10.496 88 1HN NH2 16 1HN NH2 16 12.913 15.614 -9.353 89 2HN NH2 16 2HN NH2 16 11.609 15.366 -8.085 Start of MODEL 10 1 1H GLY 1 1H GLY 1 15.710 6.780 -15.224 2 2H GLY 1 2H GLY 1 16.472 5.656 -14.282 3 3H GLY 1 3H GLY 1 16.413 5.457 -15.921 4 1HA GLY 1 2HA GLY 1 18.632 6.185 -15.292 5 2HA GLY 1 1HA GLY 1 17.830 7.378 -16.311 6 H CYS 2 H CYS 2 17.194 9.334 -15.390 7 HA CYS 2 HA CYS 2 18.570 10.225 -12.908 8 1HB CYS 2 2HB CYS 2 18.324 11.708 -14.924 9 2HB CYS 2 1HB CYS 2 16.577 11.805 -14.644 10 H CYS 3 H CYS 3 15.067 9.917 -13.764 11 HA CYS 3 HA CYS 3 14.060 10.520 -11.067 12 1HB CYS 3 1HB CYS 3 12.714 8.985 -13.380 13 2HB CYS 3 2HB CYS 3 11.897 9.517 -11.912 14 H SER 4 H SER 4 15.358 7.488 -12.336 15 HA SER 4 HA SER 4 14.294 5.871 -10.003 16 1HB SER 4 1HB SER 4 16.162 5.078 -12.319 17 2HB SER 4 2HB SER 4 15.573 3.988 -11.066 18 HG SER 4 HG SER 4 13.446 4.498 -11.702 19 H TYR 5 H TYR 5 17.313 7.554 -10.856 20 HA TYR 5 HA TYR 5 18.897 6.179 -8.710 21 1HB TYR 5 2HB TYR 5 19.881 6.728 -10.916 22 2HB TYR 5 1HB TYR 5 19.606 8.430 -10.652 23 HD1 TYR 5 HD1 TYR 5 21.132 5.786 -8.311 24 HD2 TYR 5 HD2 TYR 5 21.782 9.352 -10.640 25 HE1 TYR 5 HE1 TYR 5 23.429 5.928 -7.471 26 HE2 TYR 5 HE2 TYR 5 24.086 9.457 -9.816 27 HH TYR 5 HH TYR 5 25.628 8.533 -8.514 28 HA PRO 6 HA PRO 6 17.140 9.177 -5.696 29 1HB PRO 6 1HB PRO 6 19.548 8.358 -3.995 30 2HB PRO 6 2HB PRO 6 17.854 8.555 -3.514 31 1HG PRO 6 1HG PRO 6 18.820 6.066 -4.031 32 2HG PRO 6 2HG PRO 6 17.202 6.511 -4.620 33 1HD PRO 6 2HD PRO 6 19.808 6.375 -6.217 34 2HD PRO 6 1HD PRO 6 18.158 5.856 -6.673 35 HA PRO 7 HA PRO 7 20.505 12.600 -5.093 36 1HB PRO 7 2HB PRO 7 22.932 12.518 -6.439 37 2HB PRO 7 1HB PRO 7 22.642 11.806 -4.844 38 1HG PRO 7 2HG PRO 7 22.586 10.391 -7.532 39 2HG PRO 7 1HG PRO 7 23.449 9.885 -6.062 40 1HD PRO 7 2HD PRO 7 21.009 8.826 -6.744 41 2HD PRO 7 1HD PRO 7 21.412 9.101 -5.026 42 H CYS 8 H CYS 8 20.575 11.251 -8.427 43 HA CYS 8 HA CYS 8 20.247 13.825 -9.819 44 1HB CYS 8 1HB CYS 8 21.040 11.647 -10.885 45 2HB CYS 8 2HB CYS 8 19.362 11.084 -10.906 46 H PHE 9 H PHE 9 17.809 11.538 -8.528 47 HA PHE 9 HA PHE 9 15.394 12.966 -9.382 48 1HB PHE 9 1HB PHE 9 15.410 10.619 -8.534 49 2HB PHE 9 2HB PHE 9 15.903 11.146 -6.952 50 HD1 PHE 9 HD1 PHE 9 14.260 12.401 -5.454 51 HD2 PHE 9 HD2 PHE 9 13.033 10.763 -9.238 52 HE1 PHE 9 HE1 PHE 9 11.903 12.582 -4.782 53 HE2 PHE 9 HE2 PHE 9 10.687 10.938 -8.545 54 HZ PHE 9 HZ PHE 9 10.112 11.854 -6.323 55 H ALA 10 H ALA 10 17.311 13.263 -6.347 56 HA ALA 10 HA ALA 10 15.721 15.339 -5.106 57 1HB ALA 10 1HB ALA 10 17.677 15.646 -3.585 58 2HB ALA 10 2HB ALA 10 18.719 14.721 -4.693 59 3HB ALA 10 3HB ALA 10 17.357 13.926 -3.864 60 H THR 11 H THR 11 18.446 15.787 -7.383 61 HA THR 11 HA THR 11 18.360 18.781 -6.991 62 HB THR 11 HB THR 11 20.537 17.605 -7.103 63 HG1 THR 11 HG1 THR 11 21.443 19.121 -8.474 64 1HG2 THR 11 1HG2 THR 11 20.066 17.235 -10.136 65 2HG2 THR 11 2HG2 THR 11 20.138 15.910 -8.951 66 3HG2 THR 11 3HG2 THR 11 21.571 16.922 -9.239 67 H ASN 12 H ASN 12 17.088 16.535 -9.419 68 HA ASN 12 HA ASN 12 16.848 18.654 -11.513 69 1HB ASN 12 1HB ASN 12 17.452 16.288 -12.048 70 2HB ASN 12 2HB ASN 12 15.876 15.745 -11.519 71 1HD2 ASN 12 1HD2 ASN 12 17.536 17.738 -13.952 72 2HD2 ASN 12 2HD2 ASN 12 16.214 17.573 -15.214 73 HA PRO 13 HA PRO 13 12.645 19.907 -9.904 74 1HB PRO 13 1HB PRO 13 12.507 21.216 -12.670 75 2HB PRO 13 2HB PRO 13 12.045 21.885 -11.091 76 1HG PRO 13 2HG PRO 13 14.421 22.589 -12.204 77 2HG PRO 13 1HG PRO 13 14.359 22.223 -10.464 78 1HD PRO 13 2HD PRO 13 15.333 20.398 -12.732 79 2HD PRO 13 1HD PRO 13 16.054 20.699 -11.121 80 H ASP 14 H ASP 14 12.906 18.529 -13.207 81 HA ASP 14 HA ASP 14 10.068 17.806 -13.464 82 1HB ASP 14 2HB ASP 14 11.706 18.099 -15.386 83 2HB ASP 14 1HB ASP 14 12.489 16.595 -14.938 84 H CYS 15 H CYS 15 12.888 15.854 -12.351 85 HA CYS 15 HA CYS 15 11.278 13.421 -11.774 86 1HB CYS 15 1HB CYS 15 14.137 14.233 -10.971 87 2HB CYS 15 2HB CYS 15 13.385 12.708 -10.508 88 1HN NH2 16 1HN NH2 16 12.925 15.638 -9.355 89 2HN NH2 16 2HN NH2 16 11.616 15.370 -8.097 Start of MODEL 11 1 1H GLY 1 1H GLY 1 15.740 6.802 -15.205 2 2H GLY 1 2H GLY 1 16.531 5.689 -14.276 3 3H GLY 1 3H GLY 1 16.456 5.494 -15.915 4 1HA GLY 1 2HA GLY 1 18.671 6.256 -15.309 5 2HA GLY 1 1HA GLY 1 17.837 7.440 -16.315 6 H CYS 2 H CYS 2 17.189 9.384 -15.382 7 HA CYS 2 HA CYS 2 18.566 10.281 -12.902 8 1HB CYS 2 2HB CYS 2 18.301 11.772 -14.908 9 2HB CYS 2 1HB CYS 2 16.552 11.845 -14.629 10 H CYS 3 H CYS 3 15.064 9.940 -13.751 11 HA CYS 3 HA CYS 3 14.058 10.523 -11.050 12 1HB CYS 3 1HB CYS 3 12.718 8.986 -13.364 13 2HB CYS 3 2HB CYS 3 11.900 9.514 -11.894 14 H SER 4 H SER 4 15.384 7.524 -12.330 15 HA SER 4 HA SER 4 14.327 5.880 -9.999 16 1HB SER 4 2HB SER 4 16.186 5.063 -12.319 17 2HB SER 4 1HB SER 4 15.585 3.984 -11.058 18 HG SER 4 HG SER 4 13.989 5.490 -12.851 19 H TYR 5 H TYR 5 17.317 7.597 -10.851 20 HA TYR 5 HA TYR 5 18.930 6.209 -8.725 21 1HB TYR 5 1HB TYR 5 19.915 6.779 -10.926 22 2HB TYR 5 2HB TYR 5 19.616 8.478 -10.664 23 HD1 TYR 5 HD1 TYR 5 21.174 5.846 -8.329 24 HD2 TYR 5 HD2 TYR 5 21.775 9.433 -10.638 25 HE1 TYR 5 HE1 TYR 5 23.469 6.016 -7.487 26 HE2 TYR 5 HE2 TYR 5 24.078 9.566 -9.813 27 HH TYR 5 HH TYR 5 25.373 7.155 -7.529 28 HA PRO 6 HA PRO 6 17.137 9.172 -5.698 29 1HB PRO 6 1HB PRO 6 19.552 8.371 -3.998 30 2HB PRO 6 2HB PRO 6 17.855 8.547 -3.519 31 1HG PRO 6 1HG PRO 6 18.851 6.072 -4.047 32 2HG PRO 6 2HG PRO 6 17.228 6.501 -4.637 33 1HD PRO 6 2HD PRO 6 19.838 6.404 -6.230 34 2HD PRO 6 1HD PRO 6 18.194 5.868 -6.691 35 HA PRO 7 HA PRO 7 20.460 12.632 -5.073 36 1HB PRO 7 2HB PRO 7 22.890 12.585 -6.414 37 2HB PRO 7 1HB PRO 7 22.606 11.861 -4.823 38 1HG PRO 7 2HG PRO 7 22.570 10.460 -7.518 39 2HG PRO 7 1HG PRO 7 23.438 9.956 -6.051 40 1HD PRO 7 2HD PRO 7 21.012 8.872 -6.740 41 2HD PRO 7 1HD PRO 7 21.409 9.144 -5.020 42 H CYS 8 H CYS 8 20.534 11.295 -8.409 43 HA CYS 8 HA CYS 8 20.164 13.885 -9.778 44 1HB CYS 8 2HB CYS 8 21.014 11.733 -10.864 45 2HB CYS 8 1HB CYS 8 19.349 11.134 -10.900 46 H PHE 9 H PHE 9 17.780 11.566 -8.452 47 HA PHE 9 HA PHE 9 15.342 12.943 -9.349 48 1HB PHE 9 1HB PHE 9 15.377 10.602 -8.490 49 2HB PHE 9 2HB PHE 9 15.849 11.141 -6.905 50 HD1 PHE 9 HD1 PHE 9 14.179 12.372 -5.424 51 HD2 PHE 9 HD2 PHE 9 13.006 10.750 -9.233 52 HE1 PHE 9 HE1 PHE 9 11.812 12.545 -4.785 53 HE2 PHE 9 HE2 PHE 9 10.650 10.917 -8.572 54 HZ PHE 9 HZ PHE 9 10.043 11.821 -6.353 55 H ALA 10 H ALA 10 17.200 13.248 -6.272 56 HA ALA 10 HA ALA 10 15.654 15.433 -5.129 57 1HB ALA 10 1HB ALA 10 18.608 14.681 -4.622 58 2HB ALA 10 2HB ALA 10 17.189 13.987 -3.796 59 3HB ALA 10 3HB ALA 10 17.591 15.698 -3.573 60 H THR 11 H THR 11 18.342 15.638 -7.451 61 HA THR 11 HA THR 11 18.558 18.634 -7.118 62 HB THR 11 HB THR 11 20.370 18.507 -8.850 63 HG1 THR 11 HG1 THR 11 19.941 15.719 -8.621 64 1HG2 THR 11 1HG2 THR 11 20.840 16.585 -6.492 65 2HG2 THR 11 2HG2 THR 11 22.085 17.386 -7.478 66 3HG2 THR 11 3HG2 THR 11 21.011 18.357 -6.446 67 H ASN 12 H ASN 12 17.124 16.426 -9.535 68 HA ASN 12 HA ASN 12 16.871 18.597 -11.571 69 1HB ASN 12 1HB ASN 12 17.435 16.236 -12.171 70 2HB ASN 12 2HB ASN 12 15.863 15.700 -11.624 71 1HD2 ASN 12 1HD2 ASN 12 17.496 17.733 -14.043 72 2HD2 ASN 12 2HD2 ASN 12 16.149 17.607 -15.282 73 HA PRO 13 HA PRO 13 12.708 19.870 -9.870 74 1HB PRO 13 2HB PRO 13 12.541 21.215 -12.617 75 2HB PRO 13 1HB PRO 13 12.107 21.868 -11.024 76 1HG PRO 13 1HG PRO 13 14.474 22.565 -12.160 77 2HG PRO 13 2HG PRO 13 14.434 22.175 -10.423 78 1HD PRO 13 1HD PRO 13 15.360 20.374 -12.730 79 2HD PRO 13 2HD PRO 13 16.104 20.643 -11.125 80 H ASP 14 H ASP 14 12.902 18.534 -13.195 81 HA ASP 14 HA ASP 14 10.056 17.834 -13.419 82 1HB ASP 14 2HB ASP 14 11.674 18.125 -15.359 83 2HB ASP 14 1HB ASP 14 12.448 16.611 -14.931 84 H CYS 15 H CYS 15 12.870 15.854 -12.341 85 HA CYS 15 HA CYS 15 11.254 13.427 -11.765 86 1HB CYS 15 1HB CYS 15 14.112 14.236 -10.947 87 2HB CYS 15 2HB CYS 15 13.355 12.709 -10.493 88 1HN NH2 16 1HN NH2 16 12.896 15.639 -9.337 89 2HN NH2 16 2HN NH2 16 11.582 15.373 -8.085 Start of MODEL 12 1 1H GLY 1 1H GLY 1 19.376 7.888 -16.480 2 2H GLY 1 2H GLY 1 19.089 6.304 -16.855 3 3H GLY 1 3H GLY 1 19.892 6.692 -15.463 4 1HA GLY 1 2HA GLY 1 17.029 7.294 -16.067 5 2HA GLY 1 1HA GLY 1 17.592 6.030 -14.977 6 H CYS 2 H CYS 2 17.030 9.412 -15.341 7 HA CYS 2 HA CYS 2 18.399 10.320 -12.871 8 1HB CYS 2 2HB CYS 2 18.042 11.818 -14.856 9 2HB CYS 2 1HB CYS 2 16.299 11.831 -14.539 10 H CYS 3 H CYS 3 14.888 9.885 -13.642 11 HA CYS 3 HA CYS 3 13.940 10.491 -10.928 12 1HB CYS 3 1HB CYS 3 12.552 8.926 -13.195 13 2HB CYS 3 2HB CYS 3 11.764 9.474 -11.716 14 H SER 4 H SER 4 15.199 7.457 -12.219 15 HA SER 4 HA SER 4 14.197 5.858 -9.833 16 1HB SER 4 2HB SER 4 15.933 4.986 -12.226 17 2HB SER 4 1HB SER 4 15.387 3.928 -10.922 18 HG SER 4 HG SER 4 14.025 3.868 -12.708 19 H TYR 5 H TYR 5 17.173 7.528 -10.790 20 HA TYR 5 HA TYR 5 18.825 6.190 -8.643 21 1HB TYR 5 1HB TYR 5 19.806 6.685 -10.862 22 2HB TYR 5 2HB TYR 5 19.487 8.390 -10.675 23 HD1 TYR 5 HD1 TYR 5 21.226 5.602 -8.708 24 HD2 TYR 5 HD2 TYR 5 21.397 9.671 -10.097 25 HE1 TYR 5 HE1 TYR 5 23.477 5.843 -7.755 26 HE2 TYR 5 HE2 TYR 5 23.650 9.893 -9.156 27 HH TYR 5 HH TYR 5 25.216 7.189 -7.439 28 HA PRO 6 HA PRO 6 16.959 9.347 -5.858 29 1HB PRO 6 1HB PRO 6 19.062 8.472 -3.835 30 2HB PRO 6 2HB PRO 6 17.320 8.689 -3.630 31 1HG PRO 6 1HG PRO 6 18.359 6.184 -3.964 32 2HG PRO 6 2HG PRO 6 16.820 6.622 -4.738 33 1HD PRO 6 2HD PRO 6 19.587 6.456 -6.038 34 2HD PRO 6 1HD PRO 6 17.997 5.912 -6.649 35 HA PRO 7 HA PRO 7 20.738 12.450 -5.136 36 1HB PRO 7 1HB PRO 7 22.629 11.372 -7.279 37 2HB PRO 7 2HB PRO 7 23.011 12.223 -5.771 38 1HG PRO 7 1HG PRO 7 23.300 9.522 -5.915 39 2HG PRO 7 2HG PRO 7 22.599 10.243 -4.447 40 1HD PRO 7 1HD PRO 7 21.110 8.893 -6.766 41 2HD PRO 7 2HD PRO 7 20.867 8.706 -5.012 42 H CYS 8 H CYS 8 20.396 11.194 -8.500 43 HA CYS 8 HA CYS 8 20.059 13.871 -9.725 44 1HB CYS 8 1HB CYS 8 20.875 11.807 -10.956 45 2HB CYS 8 2HB CYS 8 19.226 11.164 -10.940 46 H PHE 9 H PHE 9 17.682 11.603 -8.334 47 HA PHE 9 HA PHE 9 15.246 13.001 -9.222 48 1HB PHE 9 1HB PHE 9 15.288 10.667 -8.288 49 2HB PHE 9 2HB PHE 9 15.730 11.276 -6.720 50 HD1 PHE 9 HD1 PHE 9 12.945 10.748 -9.071 51 HD2 PHE 9 HD2 PHE 9 14.028 12.620 -5.352 52 HE1 PHE 9 HE1 PHE 9 10.574 10.936 -8.467 53 HE2 PHE 9 HE2 PHE 9 11.647 12.815 -4.772 54 HZ PHE 9 HZ PHE 9 9.916 11.975 -6.323 55 H ALA 10 H ALA 10 17.186 13.336 -6.200 56 HA ALA 10 HA ALA 10 15.793 15.688 -5.145 57 1HB ALA 10 1HB ALA 10 18.688 14.736 -4.635 58 2HB ALA 10 2HB ALA 10 17.775 15.894 -3.639 59 3HB ALA 10 3HB ALA 10 17.237 14.210 -3.744 60 H THR 11 H THR 11 18.284 15.539 -7.643 61 HA THR 11 HA THR 11 18.914 18.487 -7.429 62 HB THR 11 HB THR 11 19.998 16.393 -9.402 63 HG1 THR 11 HG1 THR 11 21.779 16.471 -8.026 64 1HG2 THR 11 1HG2 THR 11 20.402 18.717 -10.275 65 2HG2 THR 11 2HG2 THR 11 21.915 17.982 -9.709 66 3HG2 THR 11 3HG2 THR 11 21.093 19.203 -8.705 67 H ASN 12 H ASN 12 17.202 16.339 -9.771 68 HA ASN 12 HA ASN 12 16.845 18.562 -11.717 69 1HB ASN 12 1HB ASN 12 17.368 16.210 -12.391 70 2HB ASN 12 2HB ASN 12 15.821 15.668 -11.783 71 1HD2 ASN 12 1HD2 ASN 12 17.341 17.760 -14.229 72 2HD2 ASN 12 2HD2 ASN 12 15.942 17.650 -15.412 73 HA PRO 13 HA PRO 13 12.750 19.819 -9.837 74 1HB PRO 13 1HB PRO 13 12.490 21.201 -12.558 75 2HB PRO 13 2HB PRO 13 12.113 21.833 -10.942 76 1HG PRO 13 1HG PRO 13 14.440 22.543 -12.149 77 2HG PRO 13 2HG PRO 13 14.459 22.128 -10.418 78 1HD PRO 13 1HD PRO 13 15.300 20.359 -12.782 79 2HD PRO 13 2HD PRO 13 16.101 20.604 -11.200 80 H ASP 14 H ASP 14 12.828 18.518 -13.179 81 HA ASP 14 HA ASP 14 9.981 17.830 -13.334 82 1HB ASP 14 1HB ASP 14 11.582 18.083 -15.304 83 2HB ASP 14 2HB ASP 14 12.321 16.551 -14.883 84 H CYS 15 H CYS 15 12.796 15.820 -12.325 85 HA CYS 15 HA CYS 15 11.168 13.427 -11.651 86 1HB CYS 15 1HB CYS 15 14.058 14.211 -10.932 87 2HB CYS 15 2HB CYS 15 13.293 12.707 -10.417 88 1HN NH2 16 1HN NH2 16 12.918 15.638 -9.302 89 2HN NH2 16 2HN NH2 16 11.621 15.436 -8.020 Start of MODEL 13 1 1H GLY 1 1H GLY 1 19.433 7.579 -16.326 2 2H GLY 1 2H GLY 1 19.032 6.016 -16.680 3 3H GLY 1 3H GLY 1 19.771 6.375 -15.247 4 1HA GLY 1 1HA GLY 1 17.021 7.205 -16.062 5 2HA GLY 1 2HA GLY 1 17.395 5.932 -14.903 6 H CYS 2 H CYS 2 17.060 9.311 -15.357 7 HA CYS 2 HA CYS 2 18.387 10.242 -12.881 8 1HB CYS 2 2HB CYS 2 18.081 11.711 -14.893 9 2HB CYS 2 1HB CYS 2 16.331 11.744 -14.614 10 H CYS 3 H CYS 3 14.883 9.838 -13.688 11 HA CYS 3 HA CYS 3 13.904 10.444 -10.978 12 1HB CYS 3 1HB CYS 3 12.549 8.885 -13.270 13 2HB CYS 3 2HB CYS 3 11.743 9.408 -11.792 14 H SER 4 H SER 4 15.245 7.458 -12.250 15 HA SER 4 HA SER 4 14.237 5.814 -9.907 16 1HB SER 4 1HB SER 4 15.343 3.904 -10.980 17 2HB SER 4 2HB SER 4 14.275 4.721 -12.112 18 HG SER 4 HG SER 4 17.092 5.057 -11.918 19 H TYR 5 H TYR 5 17.210 7.525 -10.810 20 HA TYR 5 HA TYR 5 18.838 6.215 -8.634 21 1HB TYR 5 1HB TYR 5 19.832 6.698 -10.851 22 2HB TYR 5 2HB TYR 5 19.513 8.404 -10.674 23 HD1 TYR 5 HD1 TYR 5 21.234 5.626 -8.675 24 HD2 TYR 5 HD2 TYR 5 21.428 9.681 -10.102 25 HE1 TYR 5 HE1 TYR 5 23.481 5.868 -7.713 26 HE2 TYR 5 HE2 TYR 5 23.677 9.903 -9.152 27 HH TYR 5 HH TYR 5 25.305 8.918 -8.012 28 HA PRO 6 HA PRO 6 16.963 9.384 -5.870 29 1HB PRO 6 1HB PRO 6 19.070 8.530 -3.842 30 2HB PRO 6 2HB PRO 6 17.327 8.742 -3.638 31 1HG PRO 6 1HG PRO 6 18.375 6.238 -3.956 32 2HG PRO 6 2HG PRO 6 16.833 6.666 -4.731 33 1HD PRO 6 1HD PRO 6 19.600 6.499 -6.033 34 2HD PRO 6 2HD PRO 6 18.009 5.948 -6.639 35 HA PRO 7 HA PRO 7 20.728 12.508 -5.179 36 1HB PRO 7 1HB PRO 7 22.626 11.417 -7.309 37 2HB PRO 7 2HB PRO 7 23.003 12.285 -5.809 38 1HG PRO 7 1HG PRO 7 23.304 9.585 -5.924 39 2HG PRO 7 2HG PRO 7 22.597 10.318 -4.465 40 1HD PRO 7 1HD PRO 7 21.117 8.937 -6.772 41 2HD PRO 7 2HD PRO 7 20.874 8.767 -5.017 42 H CYS 8 H CYS 8 20.394 11.218 -8.530 43 HA CYS 8 HA CYS 8 20.072 13.873 -9.798 44 1HB CYS 8 1HB CYS 8 20.858 11.773 -10.987 45 2HB CYS 8 2HB CYS 8 19.201 11.151 -10.955 46 H PHE 9 H PHE 9 17.672 11.618 -8.418 47 HA PHE 9 HA PHE 9 15.246 13.052 -9.270 48 1HB PHE 9 1HB PHE 9 15.291 10.699 -8.370 49 2HB PHE 9 2HB PHE 9 15.728 11.288 -6.793 50 HD1 PHE 9 HD1 PHE 9 12.953 10.710 -9.117 51 HD2 PHE 9 HD2 PHE 9 14.017 12.678 -5.442 52 HE1 PHE 9 HE1 PHE 9 10.581 10.877 -8.512 53 HE2 PHE 9 HE2 PHE 9 11.635 12.851 -4.861 54 HZ PHE 9 HZ PHE 9 9.913 11.952 -6.389 55 H ALA 10 H ALA 10 17.187 13.315 -6.242 56 HA ALA 10 HA ALA 10 15.798 15.637 -5.129 57 1HB ALA 10 1HB ALA 10 17.776 15.794 -3.610 58 2HB ALA 10 2HB ALA 10 18.693 14.670 -4.642 59 3HB ALA 10 3HB ALA 10 17.240 14.114 -3.772 60 H THR 11 H THR 11 18.271 15.574 -7.640 61 HA THR 11 HA THR 11 18.921 18.509 -7.317 62 HB THR 11 HB THR 11 19.979 16.472 -9.362 63 HG1 THR 11 HG1 THR 11 20.489 16.051 -7.192 64 1HG2 THR 11 1HG2 THR 11 21.885 18.074 -9.668 65 2HG2 THR 11 2HG2 THR 11 20.360 18.814 -10.195 66 3HG2 THR 11 3HG2 THR 11 21.075 19.271 -8.627 67 H ASN 12 H ASN 12 17.307 16.446 -9.831 68 HA ASN 12 HA ASN 12 16.861 18.799 -11.590 69 1HB ASN 12 2HB ASN 12 16.071 15.844 -11.884 70 2HB ASN 12 1HB ASN 12 15.676 17.059 -13.067 71 1HD2 ASN 12 1HD2 ASN 12 17.331 17.931 -14.389 72 2HD2 ASN 12 2HD2 ASN 12 18.995 17.161 -14.461 73 HA PRO 13 HA PRO 13 12.704 19.737 -9.724 74 1HB PRO 13 2HB PRO 13 12.398 21.240 -12.378 75 2HB PRO 13 1HB PRO 13 11.960 21.767 -10.739 76 1HG PRO 13 2HG PRO 13 14.266 22.661 -11.856 77 2HG PRO 13 1HG PRO 13 14.280 22.149 -10.151 78 1HD PRO 13 2HD PRO 13 15.258 20.571 -12.593 79 2HD PRO 13 1HD PRO 13 16.007 20.754 -10.978 80 H ASP 14 H ASP 14 12.846 18.549 -13.113 81 HA ASP 14 HA ASP 14 10.015 17.824 -13.343 82 1HB ASP 14 2HB ASP 14 12.479 16.758 -14.863 83 2HB ASP 14 1HB ASP 14 10.834 16.305 -15.240 84 H CYS 15 H CYS 15 12.834 15.818 -12.341 85 HA CYS 15 HA CYS 15 11.182 13.415 -11.715 86 1HB CYS 15 1HB CYS 15 14.091 14.158 -11.030 87 2HB CYS 15 2HB CYS 15 13.314 12.665 -10.497 88 1HN NH2 16 1HN NH2 16 12.976 15.590 -9.365 89 2HN NH2 16 2HN NH2 16 11.687 15.394 -8.074 Start of MODEL 14 1 1H GLY 1 1H GLY 1 15.742 6.811 -15.228 2 2H GLY 1 2H GLY 1 16.459 5.498 -15.929 3 3H GLY 1 3H GLY 1 16.518 5.693 -14.290 4 1HA GLY 1 1HA GLY 1 18.671 6.249 -15.300 5 2HA GLY 1 2HA GLY 1 17.854 7.437 -16.314 6 H CYS 2 H CYS 2 17.199 9.382 -15.386 7 HA CYS 2 HA CYS 2 18.566 10.279 -12.902 8 1HB CYS 2 2HB CYS 2 18.305 11.769 -14.910 9 2HB CYS 2 1HB CYS 2 16.556 11.843 -14.634 10 H CYS 3 H CYS 3 15.066 9.939 -13.757 11 HA CYS 3 HA CYS 3 14.056 10.525 -11.058 12 1HB CYS 3 1HB CYS 3 12.720 8.985 -13.374 13 2HB CYS 3 2HB CYS 3 11.900 9.510 -11.905 14 H SER 4 H SER 4 15.376 7.507 -12.339 15 HA SER 4 HA SER 4 14.325 5.873 -10.012 16 1HB SER 4 1HB SER 4 16.197 5.102 -12.333 17 2HB SER 4 2HB SER 4 15.616 4.004 -11.084 18 HG SER 4 HG SER 4 13.992 5.499 -12.858 19 H TYR 5 H TYR 5 17.330 7.582 -10.857 20 HA TYR 5 HA TYR 5 18.926 6.210 -8.715 21 1HB TYR 5 2HB TYR 5 19.906 6.774 -10.919 22 2HB TYR 5 1HB TYR 5 19.615 8.473 -10.652 23 HD1 TYR 5 HD1 TYR 5 21.779 9.420 -10.632 24 HD2 TYR 5 HD2 TYR 5 21.167 5.837 -8.319 25 HE1 TYR 5 HE1 TYR 5 24.082 9.546 -9.808 26 HE2 TYR 5 HE2 TYR 5 23.462 6.000 -7.478 27 HH TYR 5 HH TYR 5 25.633 8.633 -8.509 28 HA PRO 6 HA PRO 6 17.144 9.168 -5.677 29 1HB PRO 6 2HB PRO 6 19.574 8.354 -4.008 30 2HB PRO 6 1HB PRO 6 17.886 8.558 -3.504 31 1HG PRO 6 2HG PRO 6 18.819 6.070 -4.047 32 2HG PRO 6 1HG PRO 6 17.204 6.530 -4.630 33 1HD PRO 6 1HD PRO 6 19.813 6.385 -6.225 34 2HD PRO 6 2HD PRO 6 18.161 5.874 -6.686 35 HA PRO 7 HA PRO 7 20.468 12.634 -5.075 36 1HB PRO 7 2HB PRO 7 22.893 12.586 -6.424 37 2HB PRO 7 1HB PRO 7 22.615 11.863 -4.832 38 1HG PRO 7 2HG PRO 7 22.568 10.460 -7.527 39 2HG PRO 7 1HG PRO 7 23.443 9.958 -6.063 40 1HD PRO 7 1HD PRO 7 21.014 8.871 -6.738 41 2HD PRO 7 2HD PRO 7 21.419 9.148 -5.020 42 H CYS 8 H CYS 8 20.536 11.295 -8.411 43 HA CYS 8 HA CYS 8 20.165 13.883 -9.781 44 1HB CYS 8 2HB CYS 8 21.014 11.728 -10.864 45 2HB CYS 8 1HB CYS 8 19.348 11.132 -10.901 46 H PHE 9 H PHE 9 17.781 11.565 -8.455 47 HA PHE 9 HA PHE 9 15.343 12.943 -9.351 48 1HB PHE 9 1HB PHE 9 15.378 10.601 -8.494 49 2HB PHE 9 2HB PHE 9 15.850 11.139 -6.909 50 HD1 PHE 9 HD1 PHE 9 14.180 12.367 -5.427 51 HD2 PHE 9 HD2 PHE 9 13.008 10.751 -9.238 52 HE1 PHE 9 HE1 PHE 9 11.813 12.540 -4.787 53 HE2 PHE 9 HE2 PHE 9 10.651 10.918 -8.577 54 HZ PHE 9 HZ PHE 9 10.045 11.819 -6.356 55 H ALA 10 H ALA 10 17.200 13.245 -6.274 56 HA ALA 10 HA ALA 10 15.655 15.430 -5.130 57 1HB ALA 10 1HB ALA 10 17.190 13.982 -3.798 58 2HB ALA 10 2HB ALA 10 17.592 15.693 -3.574 59 3HB ALA 10 3HB ALA 10 18.609 14.677 -4.623 60 H THR 11 H THR 11 18.341 15.636 -7.452 61 HA THR 11 HA THR 11 18.559 18.632 -7.117 62 HB THR 11 HB THR 11 20.369 18.506 -8.851 63 HG1 THR 11 HG1 THR 11 19.940 15.718 -8.623 64 1HG2 THR 11 1HG2 THR 11 21.012 18.355 -6.448 65 2HG2 THR 11 2HG2 THR 11 22.086 17.384 -7.481 66 3HG2 THR 11 3HG2 THR 11 20.841 16.583 -6.494 67 H ASN 12 H ASN 12 17.125 16.427 -9.536 68 HA ASN 12 HA ASN 12 16.869 18.600 -11.569 69 1HB ASN 12 1HB ASN 12 17.435 16.240 -12.172 70 2HB ASN 12 2HB ASN 12 15.864 15.703 -11.626 71 1HD2 ASN 12 1HD2 ASN 12 17.495 17.741 -14.041 72 2HD2 ASN 12 2HD2 ASN 12 16.148 17.616 -15.281 73 HA PRO 13 HA PRO 13 12.705 19.866 -9.865 74 1HB PRO 13 1HB PRO 13 12.537 21.217 -12.609 75 2HB PRO 13 2HB PRO 13 12.103 21.866 -11.014 76 1HG PRO 13 1HG PRO 13 14.469 22.568 -12.149 77 2HG PRO 13 2HG PRO 13 14.429 22.174 -10.413 78 1HD PRO 13 1HD PRO 13 15.356 20.378 -12.724 79 2HD PRO 13 2HD PRO 13 16.101 20.645 -11.119 80 H ASP 14 H ASP 14 12.900 18.537 -13.193 81 HA ASP 14 HA ASP 14 10.055 17.835 -13.418 82 1HB ASP 14 2HB ASP 14 11.674 18.130 -15.357 83 2HB ASP 14 1HB ASP 14 12.448 16.616 -14.932 84 H CYS 15 H CYS 15 12.870 15.855 -12.343 85 HA CYS 15 HA CYS 15 11.255 13.427 -11.771 86 1HB CYS 15 1HB CYS 15 14.113 14.234 -10.954 87 2HB CYS 15 2HB CYS 15 13.357 12.707 -10.500 88 1HN NH2 16 1HN NH2 16 12.898 15.634 -9.340 89 2HN NH2 16 2HN NH2 16 11.585 15.367 -8.088 Start of MODEL 15 1 1H GLY 1 1H GLY 1 18.940 5.949 -16.699 2 2H GLY 1 2H GLY 1 19.698 6.291 -15.272 3 3H GLY 1 3H GLY 1 19.386 7.502 -16.352 4 1HA GLY 1 1HA GLY 1 16.967 7.194 -16.072 5 2HA GLY 1 2HA GLY 1 17.313 5.914 -14.913 6 H CYS 2 H CYS 2 17.071 9.301 -15.373 7 HA CYS 2 HA CYS 2 18.436 10.198 -12.905 8 1HB CYS 2 1HB CYS 2 18.167 11.664 -14.924 9 2HB CYS 2 2HB CYS 2 16.424 11.762 -14.622 10 H CYS 3 H CYS 3 14.914 9.914 -13.698 11 HA CYS 3 HA CYS 3 13.965 10.534 -10.983 12 1HB CYS 3 1HB CYS 3 12.557 9.004 -13.262 13 2HB CYS 3 2HB CYS 3 11.775 9.559 -11.783 14 H SER 4 H SER 4 15.239 7.519 -12.250 15 HA SER 4 HA SER 4 14.202 5.905 -9.897 16 1HB SER 4 1HB SER 4 15.273 3.970 -10.959 17 2HB SER 4 2HB SER 4 14.220 4.799 -12.097 18 HG SER 4 HG SER 4 16.088 5.841 -12.938 19 H TYR 5 H TYR 5 17.208 7.563 -10.807 20 HA TYR 5 HA TYR 5 18.823 6.188 -8.683 21 1HB TYR 5 2HB TYR 5 19.769 6.719 -10.909 22 2HB TYR 5 1HB TYR 5 19.505 8.424 -10.652 23 HD1 TYR 5 HD1 TYR 5 21.064 5.790 -8.322 24 HD2 TYR 5 HD2 TYR 5 21.684 9.339 -10.684 25 HE1 TYR 5 HE1 TYR 5 23.376 5.930 -7.524 26 HE2 TYR 5 HE2 TYR 5 24.002 9.442 -9.902 27 HH TYR 5 HH TYR 5 25.299 7.035 -7.614 28 HA PRO 6 HA PRO 6 17.135 9.191 -5.636 29 1HB PRO 6 2HB PRO 6 19.588 8.361 -4.009 30 2HB PRO 6 1HB PRO 6 17.912 8.591 -3.473 31 1HG PRO 6 2HG PRO 6 18.803 6.087 -4.012 32 2HG PRO 6 1HG PRO 6 17.183 6.562 -4.567 33 1HD PRO 6 1HD PRO 6 19.757 6.370 -6.213 34 2HD PRO 6 2HD PRO 6 18.090 5.877 -6.636 35 HA PRO 7 HA PRO 7 20.509 12.625 -5.138 36 1HB PRO 7 2HB PRO 7 22.907 12.532 -6.533 37 2HB PRO 7 1HB PRO 7 22.651 11.831 -4.927 38 1HG PRO 7 2HG PRO 7 22.536 10.396 -7.603 39 2HG PRO 7 1HG PRO 7 23.433 9.902 -6.150 40 1HD PRO 7 2HD PRO 7 20.980 8.835 -6.765 41 2HD PRO 7 1HD PRO 7 21.422 9.129 -5.058 42 H CYS 8 H CYS 8 20.500 11.245 -8.459 43 HA CYS 8 HA CYS 8 20.134 13.821 -9.853 44 1HB CYS 8 1HB CYS 8 20.938 11.643 -10.924 45 2HB CYS 8 2HB CYS 8 19.265 11.067 -10.925 46 H PHE 9 H PHE 9 17.747 11.547 -8.457 47 HA PHE 9 HA PHE 9 15.309 12.942 -9.326 48 1HB PHE 9 1HB PHE 9 15.333 10.610 -8.440 49 2HB PHE 9 2HB PHE 9 15.841 11.163 -6.870 50 HD1 PHE 9 HD1 PHE 9 14.210 12.427 -5.374 51 HD2 PHE 9 HD2 PHE 9 12.953 10.781 -9.145 52 HE1 PHE 9 HE1 PHE 9 11.857 12.636 -4.695 53 HE2 PHE 9 HE2 PHE 9 10.610 10.984 -8.445 54 HZ PHE 9 HZ PHE 9 10.053 11.917 -6.225 55 H ALA 10 H ALA 10 17.224 13.260 -6.286 56 HA ALA 10 HA ALA 10 15.725 15.477 -5.143 57 1HB ALA 10 1HB ALA 10 17.264 14.026 -3.819 58 2HB ALA 10 2HB ALA 10 17.690 15.735 -3.622 59 3HB ALA 10 3HB ALA 10 18.677 14.694 -4.676 60 H THR 11 H THR 11 18.373 15.623 -7.513 61 HA THR 11 HA THR 11 18.633 18.620 -7.216 62 HB THR 11 HB THR 11 20.411 18.451 -8.980 63 HG1 THR 11 HG1 THR 11 21.131 16.391 -9.514 64 1HG2 THR 11 1HG2 THR 11 20.900 16.548 -6.609 65 2HG2 THR 11 2HG2 THR 11 21.094 18.319 -6.586 66 3HG2 THR 11 3HG2 THR 11 22.137 17.323 -7.627 67 H ASN 12 H ASN 12 17.124 16.405 -9.580 68 HA ASN 12 HA ASN 12 16.860 18.558 -11.635 69 1HB ASN 12 1HB ASN 12 17.382 16.184 -12.221 70 2HB ASN 12 2HB ASN 12 15.814 15.674 -11.638 71 1HD2 ASN 12 1HD2 ASN 12 17.425 17.660 -14.110 72 2HD2 ASN 12 2HD2 ASN 12 16.051 17.540 -15.321 73 HA PRO 13 HA PRO 13 12.749 19.904 -9.864 74 1HB PRO 13 1HB PRO 13 12.545 21.222 -12.621 75 2HB PRO 13 2HB PRO 13 12.152 21.897 -11.026 76 1HG PRO 13 2HG PRO 13 14.504 22.551 -12.217 77 2HG PRO 13 1HG PRO 13 14.494 22.180 -10.477 78 1HD PRO 13 1HD PRO 13 15.349 20.342 -12.783 79 2HD PRO 13 2HD PRO 13 16.129 20.619 -11.196 80 H ASP 14 H ASP 14 12.857 18.532 -13.179 81 HA ASP 14 HA ASP 14 9.998 17.866 -13.334 82 1HB ASP 14 2HB ASP 14 11.578 18.117 -15.312 83 2HB ASP 14 1HB ASP 14 12.342 16.598 -14.885 84 H CYS 15 H CYS 15 12.811 15.865 -12.292 85 HA CYS 15 HA CYS 15 11.183 13.460 -11.663 86 1HB CYS 15 1HB CYS 15 14.060 14.250 -10.896 87 2HB CYS 15 2HB CYS 15 13.296 12.733 -10.422 88 1HN NH2 16 1HN NH2 16 12.886 15.680 -9.285 89 2HN NH2 16 2HN NH2 16 11.591 15.438 -8.008 Start of MODEL 16 1 1H GLY 1 1H GLY 1 16.561 5.680 -16.220 2 2H GLY 1 2H GLY 1 15.824 7.009 -15.572 3 3H GLY 1 3H GLY 1 16.407 5.822 -14.581 4 1HA GLY 1 2HA GLY 1 18.702 6.285 -15.275 5 2HA GLY 1 1HA GLY 1 18.093 7.548 -16.341 6 H CYS 2 H CYS 2 17.258 9.458 -15.407 7 HA CYS 2 HA CYS 2 18.520 10.334 -12.889 8 1HB CYS 2 1HB CYS 2 18.206 11.845 -14.870 9 2HB CYS 2 2HB CYS 2 16.456 11.849 -14.592 10 H CYS 3 H CYS 3 15.034 9.872 -13.738 11 HA CYS 3 HA CYS 3 14.020 10.453 -11.037 12 1HB CYS 3 1HB CYS 3 12.699 8.901 -13.351 13 2HB CYS 3 2HB CYS 3 11.874 9.414 -11.880 14 H SER 4 H SER 4 15.389 7.469 -12.305 15 HA SER 4 HA SER 4 14.356 5.834 -9.965 16 1HB SER 4 1HB SER 4 15.446 3.913 -11.009 17 2HB SER 4 2HB SER 4 14.421 4.736 -12.176 18 HG SER 4 HG SER 4 16.308 5.782 -12.967 19 H TYR 5 H TYR 5 17.330 7.553 -10.833 20 HA TYR 5 HA TYR 5 18.947 6.235 -8.655 21 1HB TYR 5 1HB TYR 5 19.956 6.742 -10.859 22 2HB TYR 5 2HB TYR 5 19.623 8.444 -10.674 23 HD1 TYR 5 HD1 TYR 5 21.514 9.738 -10.059 24 HD2 TYR 5 HD2 TYR 5 21.353 5.662 -8.690 25 HE1 TYR 5 HE1 TYR 5 23.749 9.974 -9.079 26 HE2 TYR 5 HE2 TYR 5 23.586 5.917 -7.698 27 HH TYR 5 HH TYR 5 25.376 8.993 -7.933 28 HA PRO 6 HA PRO 6 17.023 9.362 -5.881 29 1HB PRO 6 1HB PRO 6 19.114 8.508 -3.837 30 2HB PRO 6 2HB PRO 6 17.367 8.703 -3.652 31 1HG PRO 6 1HG PRO 6 18.440 6.212 -3.980 32 2HG PRO 6 2HG PRO 6 16.904 6.633 -4.770 33 1HD PRO 6 2HD PRO 6 19.687 6.503 -6.041 34 2HD PRO 6 1HD PRO 6 18.109 5.944 -6.670 35 HA PRO 7 HA PRO 7 20.749 12.517 -5.113 36 1HB PRO 7 1HB PRO 7 22.688 11.463 -7.224 37 2HB PRO 7 2HB PRO 7 23.035 12.317 -5.709 38 1HG PRO 7 1HG PRO 7 23.362 9.621 -5.854 39 2HG PRO 7 2HG PRO 7 22.631 10.330 -4.395 40 1HD PRO 7 2HD PRO 7 21.192 8.965 -6.737 41 2HD PRO 7 1HD PRO 7 20.928 8.771 -4.987 42 H CYS 8 H CYS 8 20.462 11.241 -8.472 43 HA CYS 8 HA CYS 8 20.132 13.902 -9.725 44 1HB CYS 8 1HB CYS 8 20.955 11.831 -10.932 45 2HB CYS 8 2HB CYS 8 19.302 11.194 -10.933 46 H PHE 9 H PHE 9 17.735 11.593 -8.411 47 HA PHE 9 HA PHE 9 15.307 12.989 -9.296 48 1HB PHE 9 1HB PHE 9 15.361 10.641 -8.410 49 2HB PHE 9 2HB PHE 9 15.783 11.217 -6.825 50 HD1 PHE 9 HD1 PHE 9 14.054 12.521 -5.443 51 HD2 PHE 9 HD2 PHE 9 13.021 10.688 -9.196 52 HE1 PHE 9 HE1 PHE 9 11.668 12.672 -4.874 53 HE2 PHE 9 HE2 PHE 9 10.644 10.833 -8.604 54 HZ PHE 9 HZ PHE 9 9.958 11.830 -6.449 55 H ALA 10 H ALA 10 17.175 13.293 -6.227 56 HA ALA 10 HA ALA 10 15.660 15.507 -5.092 57 1HB ALA 10 1HB ALA 10 17.610 15.759 -3.550 58 2HB ALA 10 2HB ALA 10 17.183 14.053 -3.753 59 3HB ALA 10 3HB ALA 10 18.606 14.718 -4.595 60 H THR 11 H THR 11 18.342 15.651 -7.429 61 HA THR 11 HA THR 11 18.593 18.648 -7.128 62 HB THR 11 HB THR 11 20.397 18.489 -8.859 63 HG1 THR 11 HG1 THR 11 19.618 16.627 -9.886 64 1HG2 THR 11 1HG2 THR 11 22.105 17.354 -7.489 65 2HG2 THR 11 2HG2 THR 11 20.854 16.566 -6.498 66 3HG2 THR 11 3HG2 THR 11 21.043 18.337 -6.455 67 H ASN 12 H ASN 12 17.149 16.426 -9.529 68 HA ASN 12 HA ASN 12 16.886 18.589 -11.574 69 1HB ASN 12 1HB ASN 12 17.458 16.225 -12.164 70 2HB ASN 12 2HB ASN 12 15.886 15.688 -11.616 71 1HD2 ASN 12 1HD2 ASN 12 17.513 17.724 -14.038 72 2HD2 ASN 12 2HD2 ASN 12 16.169 17.585 -15.280 73 HA PRO 13 HA PRO 13 12.711 19.839 -9.881 74 1HB PRO 13 1HB PRO 13 12.545 21.184 -12.628 75 2HB PRO 13 2HB PRO 13 12.104 21.835 -11.035 76 1HG PRO 13 2HG PRO 13 14.469 22.545 -12.167 77 2HG PRO 13 1HG PRO 13 14.427 22.156 -10.431 78 1HD PRO 13 1HD PRO 13 15.367 20.358 -12.735 79 2HD PRO 13 2HD PRO 13 16.109 20.634 -11.129 80 H ASP 14 H ASP 14 12.930 18.500 -13.202 81 HA ASP 14 HA ASP 14 10.090 17.801 -13.454 82 1HB ASP 14 1HB ASP 14 11.748 18.070 -15.371 83 2HB ASP 14 2HB ASP 14 12.487 16.543 -14.930 84 H CYS 15 H CYS 15 12.885 15.796 -12.380 85 HA CYS 15 HA CYS 15 11.244 13.392 -11.776 86 1HB CYS 15 1HB CYS 15 14.121 14.165 -10.997 87 2HB CYS 15 2HB CYS 15 13.350 12.654 -10.514 88 1HN NH2 16 1HN NH2 16 12.930 15.597 -9.373 89 2HN NH2 16 2HN NH2 16 11.623 15.350 -8.109 Start of MODEL 17 1 1H GLY 1 1H GLY 1 19.317 7.833 -16.506 2 2H GLY 1 2H GLY 1 19.852 6.649 -15.486 3 3H GLY 1 3H GLY 1 19.037 6.245 -16.865 4 1HA GLY 1 1HA GLY 1 16.980 7.228 -16.062 5 2HA GLY 1 2HA GLY 1 17.562 5.976 -14.968 6 H CYS 2 H CYS 2 16.982 9.354 -15.356 7 HA CYS 2 HA CYS 2 18.370 10.287 -12.907 8 1HB CYS 2 1HB CYS 2 17.988 11.767 -14.898 9 2HB CYS 2 2HB CYS 2 16.250 11.781 -14.555 10 H CYS 3 H CYS 3 14.852 9.846 -13.640 11 HA CYS 3 HA CYS 3 13.933 10.473 -10.923 12 1HB CYS 3 1HB CYS 3 12.518 8.892 -13.161 13 2HB CYS 3 2HB CYS 3 11.747 9.457 -11.680 14 H SER 4 H SER 4 15.182 7.429 -12.191 15 HA SER 4 HA SER 4 14.194 5.851 -9.786 16 1HB SER 4 2HB SER 4 15.919 4.958 -12.180 17 2HB SER 4 1HB SER 4 15.381 3.912 -10.864 18 HG SER 4 HG SER 4 13.698 5.400 -12.590 19 H TYR 5 H TYR 5 17.170 7.505 -10.781 20 HA TYR 5 HA TYR 5 18.831 6.185 -8.629 21 1HB TYR 5 1HB TYR 5 19.797 6.650 -10.863 22 2HB TYR 5 2HB TYR 5 19.487 8.358 -10.693 23 HD1 TYR 5 HD1 TYR 5 21.403 9.641 -10.139 24 HD2 TYR 5 HD2 TYR 5 21.233 5.585 -8.711 25 HE1 TYR 5 HE1 TYR 5 23.663 9.866 -9.215 26 HE2 TYR 5 HE2 TYR 5 23.490 5.829 -7.776 27 HH TYR 5 HH TYR 5 25.234 7.174 -7.483 28 HA PRO 6 HA PRO 6 17.007 9.364 -5.850 29 1HB PRO 6 1HB PRO 6 19.139 8.495 -3.857 30 2HB PRO 6 2HB PRO 6 17.403 8.742 -3.622 31 1HG PRO 6 2HG PRO 6 18.382 6.222 -3.959 32 2HG PRO 6 1HG PRO 6 16.848 6.682 -4.727 33 1HD PRO 6 2HD PRO 6 19.613 6.464 -6.033 34 2HD PRO 6 1HD PRO 6 18.015 5.930 -6.633 35 HA PRO 7 HA PRO 7 20.786 12.485 -5.203 36 1HB PRO 7 1HB PRO 7 22.665 11.388 -7.347 37 2HB PRO 7 2HB PRO 7 23.056 12.252 -5.849 38 1HG PRO 7 1HG PRO 7 23.348 9.551 -5.975 39 2HG PRO 7 2HG PRO 7 22.658 10.283 -4.506 40 1HD PRO 7 1HD PRO 7 21.150 8.913 -6.803 41 2HD PRO 7 2HD PRO 7 20.925 8.738 -5.046 42 H CYS 8 H CYS 8 20.406 11.182 -8.542 43 HA CYS 8 HA CYS 8 20.080 13.836 -9.811 44 1HB CYS 8 1HB CYS 8 20.853 11.747 -11.019 45 2HB CYS 8 2HB CYS 8 19.195 11.127 -10.975 46 H PHE 9 H PHE 9 17.688 11.569 -8.418 47 HA PHE 9 HA PHE 9 15.257 12.988 -9.261 48 1HB PHE 9 1HB PHE 9 15.294 10.650 -8.352 49 2HB PHE 9 2HB PHE 9 15.769 11.234 -6.784 50 HD1 PHE 9 HD1 PHE 9 14.103 12.559 -5.359 51 HD2 PHE 9 HD2 PHE 9 12.931 10.756 -9.085 52 HE1 PHE 9 HE1 PHE 9 11.737 12.763 -4.728 53 HE2 PHE 9 HE2 PHE 9 10.574 10.954 -8.432 54 HZ PHE 9 HZ PHE 9 9.968 11.964 -6.259 55 H ALA 10 H ALA 10 17.205 13.303 -6.243 56 HA ALA 10 HA ALA 10 15.746 15.548 -5.097 57 1HB ALA 10 1HB ALA 10 18.693 14.728 -4.663 58 2HB ALA 10 2HB ALA 10 17.282 14.091 -3.778 59 3HB ALA 10 3HB ALA 10 17.736 15.795 -3.607 60 H THR 11 H THR 11 18.377 15.630 -7.496 61 HA THR 11 HA THR 11 18.671 18.627 -7.237 62 HB THR 11 HB THR 11 20.438 18.424 -9.001 63 HG1 THR 11 HG1 THR 11 19.946 15.652 -8.720 64 1HG2 THR 11 1HG2 THR 11 21.130 18.289 -6.608 65 2HG2 THR 11 2HG2 THR 11 20.917 16.520 -6.629 66 3HG2 THR 11 3HG2 THR 11 22.157 17.281 -7.653 67 H ASN 12 H ASN 12 17.146 16.398 -9.580 68 HA ASN 12 HA ASN 12 16.880 18.536 -11.649 69 1HB ASN 12 1HB ASN 12 17.399 16.154 -12.214 70 2HB ASN 12 2HB ASN 12 15.828 15.654 -11.631 71 1HD2 ASN 12 1HD2 ASN 12 17.451 17.616 -14.114 72 2HD2 ASN 12 2HD2 ASN 12 16.081 17.489 -15.328 73 HA PRO 13 HA PRO 13 12.762 19.889 -9.900 74 1HB PRO 13 2HB PRO 13 12.565 21.188 -12.666 75 2HB PRO 13 1HB PRO 13 12.166 21.874 -11.077 76 1HG PRO 13 1HG PRO 13 14.521 22.523 -12.266 77 2HG PRO 13 2HG PRO 13 14.506 22.164 -10.523 78 1HD PRO 13 2HD PRO 13 15.370 20.311 -12.813 79 2HD PRO 13 1HD PRO 13 16.146 20.601 -11.226 80 H ASP 14 H ASP 14 12.887 18.491 -13.203 81 HA ASP 14 HA ASP 14 10.028 17.836 -13.374 82 1HB ASP 14 2HB ASP 14 11.624 18.066 -15.340 83 2HB ASP 14 1HB ASP 14 12.376 16.545 -14.899 84 H CYS 15 H CYS 15 12.822 15.814 -12.314 85 HA CYS 15 HA CYS 15 11.159 13.436 -11.662 86 1HB CYS 15 1HB CYS 15 14.058 14.182 -10.942 87 2HB CYS 15 2HB CYS 15 13.275 12.690 -10.421 88 1HN NH2 16 1HN NH2 16 12.914 15.652 -9.319 89 2HN NH2 16 2HN NH2 16 11.625 15.442 -8.029 Start of MODEL 18 1 1H GLY 1 1H GLY 1 19.064 6.130 -16.708 2 2H GLY 1 2H GLY 1 19.465 7.689 -16.334 3 3H GLY 1 3H GLY 1 19.802 6.471 -15.270 4 1HA GLY 1 1HA GLY 1 17.053 7.311 -16.077 5 2HA GLY 1 2HA GLY 1 17.426 6.024 -14.934 6 H CYS 2 H CYS 2 17.087 9.407 -15.346 7 HA CYS 2 HA CYS 2 18.415 10.307 -12.859 8 1HB CYS 2 1HB CYS 2 18.115 11.799 -14.852 9 2HB CYS 2 2HB CYS 2 16.366 11.836 -14.565 10 H CYS 3 H CYS 3 14.909 9.926 -13.673 11 HA CYS 3 HA CYS 3 13.933 10.485 -10.950 12 1HB CYS 3 1HB CYS 3 12.569 8.968 -13.264 13 2HB CYS 3 2HB CYS 3 11.767 9.481 -11.781 14 H SER 4 H SER 4 15.275 7.524 -12.272 15 HA SER 4 HA SER 4 14.248 5.833 -9.971 16 1HB SER 4 1HB SER 4 15.366 3.946 -11.070 17 2HB SER 4 2HB SER 4 14.308 4.784 -12.196 18 HG SER 4 HG SER 4 16.163 5.881 -12.993 19 H TYR 5 H TYR 5 17.250 7.533 -10.835 20 HA TYR 5 HA TYR 5 18.841 6.207 -8.650 21 1HB TYR 5 2HB TYR 5 19.848 6.711 -10.854 22 2HB TYR 5 1HB TYR 5 19.535 8.415 -10.654 23 HD1 TYR 5 HD1 TYR 5 21.235 5.607 -8.680 24 HD2 TYR 5 HD2 TYR 5 21.452 9.678 -10.058 25 HE1 TYR 5 HE1 TYR 5 23.476 5.829 -7.701 26 HE2 TYR 5 HE2 TYR 5 23.696 9.881 -9.091 27 HH TYR 5 HH TYR 5 25.221 7.162 -7.363 28 HA PRO 6 HA PRO 6 16.953 9.350 -5.862 29 1HB PRO 6 1HB PRO 6 19.042 8.465 -3.829 30 2HB PRO 6 2HB PRO 6 17.299 8.682 -3.635 31 1HG PRO 6 1HG PRO 6 18.338 6.178 -3.973 32 2HG PRO 6 2HG PRO 6 16.804 6.621 -4.756 33 1HD PRO 6 1HD PRO 6 19.580 6.457 -6.038 34 2HD PRO 6 2HD PRO 6 17.993 5.920 -6.663 35 HA PRO 7 HA PRO 7 20.725 12.456 -5.113 36 1HB PRO 7 1HB PRO 7 22.631 11.377 -7.243 37 2HB PRO 7 2HB PRO 7 23.002 12.230 -5.732 38 1HG PRO 7 1HG PRO 7 23.295 9.530 -5.873 39 2HG PRO 7 2HG PRO 7 22.583 10.251 -4.410 40 1HD PRO 7 2HD PRO 7 21.110 8.898 -6.739 41 2HD PRO 7 1HD PRO 7 20.857 8.711 -4.986 42 H CYS 8 H CYS 8 20.409 11.195 -8.478 43 HA CYS 8 HA CYS 8 20.074 13.867 -9.712 44 1HB CYS 8 2HB CYS 8 20.896 11.792 -10.927 45 2HB CYS 8 1HB CYS 8 19.243 11.159 -10.927 46 H PHE 9 H PHE 9 17.693 11.605 -8.323 47 HA PHE 9 HA PHE 9 15.259 12.992 -9.231 48 1HB PHE 9 1HB PHE 9 15.310 10.662 -8.281 49 2HB PHE 9 2HB PHE 9 15.730 11.286 -6.713 50 HD1 PHE 9 HD1 PHE 9 12.978 10.686 -9.072 51 HD2 PHE 9 HD2 PHE 9 14.002 12.661 -5.390 52 HE1 PHE 9 HE1 PHE 9 10.598 10.859 -8.495 53 HE2 PHE 9 HE2 PHE 9 11.614 12.840 -4.836 54 HZ PHE 9 HZ PHE 9 9.908 11.940 -6.382 55 H ALA 10 H ALA 10 17.175 13.341 -6.195 56 HA ALA 10 HA ALA 10 15.776 15.698 -5.161 57 1HB ALA 10 1HB ALA 10 17.746 15.907 -3.639 58 2HB ALA 10 2HB ALA 10 17.208 14.223 -3.743 59 3HB ALA 10 3HB ALA 10 18.667 14.746 -4.625 60 H THR 11 H THR 11 18.280 15.540 -7.643 61 HA THR 11 HA THR 11 18.911 18.489 -7.435 62 HB THR 11 HB THR 11 20.001 16.389 -9.398 63 HG1 THR 11 HG1 THR 11 20.474 16.014 -7.212 64 1HG2 THR 11 1HG2 THR 11 21.920 17.976 -9.702 65 2HG2 THR 11 2HG2 THR 11 20.410 18.710 -10.277 66 3HG2 THR 11 3HG2 THR 11 21.095 19.200 -8.705 67 H ASN 12 H ASN 12 17.193 16.333 -9.765 68 HA ASN 12 HA ASN 12 16.844 18.545 -11.727 69 1HB ASN 12 1HB ASN 12 17.354 16.186 -12.387 70 2HB ASN 12 2HB ASN 12 15.806 15.656 -11.771 71 1HD2 ASN 12 1HD2 ASN 12 17.331 17.720 -14.236 72 2HD2 ASN 12 2HD2 ASN 12 15.928 17.611 -15.414 73 HA PRO 13 HA PRO 13 12.763 19.835 -9.841 74 1HB PRO 13 1HB PRO 13 12.498 21.198 -12.572 75 2HB PRO 13 2HB PRO 13 12.130 21.844 -10.959 76 1HG PRO 13 1HG PRO 13 14.456 22.533 -12.181 77 2HG PRO 13 2HG PRO 13 14.480 22.132 -10.447 78 1HD PRO 13 2HD PRO 13 15.303 20.341 -12.800 79 2HD PRO 13 1HD PRO 13 16.111 20.593 -11.223 80 H ASP 14 H ASP 14 12.817 18.512 -13.174 81 HA ASP 14 HA ASP 14 9.966 17.833 -13.307 82 1HB ASP 14 1HB ASP 14 11.553 18.073 -15.289 83 2HB ASP 14 2HB ASP 14 12.292 16.541 -14.866 84 H CYS 15 H CYS 15 12.784 15.823 -12.305 85 HA CYS 15 HA CYS 15 11.160 13.430 -11.627 86 1HB CYS 15 1HB CYS 15 14.048 14.217 -10.897 87 2HB CYS 15 2HB CYS 15 13.285 12.702 -10.408 88 1HN NH2 16 1HN NH2 16 12.904 15.652 -9.282 89 2HN NH2 16 2HN NH2 16 11.615 15.439 -7.994 Start of MODEL 19 1 1H GLY 1 1H GLY 1 19.035 6.229 -16.854 2 2H GLY 1 2H GLY 1 19.846 6.628 -15.472 3 3H GLY 1 3H GLY 1 19.324 7.815 -16.496 4 1HA GLY 1 1HA GLY 1 16.980 7.225 -16.062 5 2HA GLY 1 2HA GLY 1 17.550 5.972 -14.964 6 H CYS 2 H CYS 2 16.986 9.350 -15.356 7 HA CYS 2 HA CYS 2 18.372 10.280 -12.904 8 1HB CYS 2 2HB CYS 2 17.998 11.762 -14.900 9 2HB CYS 2 1HB CYS 2 16.258 11.782 -14.565 10 H CYS 3 H CYS 3 14.854 9.847 -13.647 11 HA CYS 3 HA CYS 3 13.928 10.478 -10.933 12 1HB CYS 3 1HB CYS 3 12.521 8.893 -13.174 13 2HB CYS 3 2HB CYS 3 11.745 9.453 -11.694 14 H SER 4 H SER 4 15.177 7.430 -12.197 15 HA SER 4 HA SER 4 14.189 5.857 -9.790 16 1HB SER 4 2HB SER 4 15.921 4.963 -12.177 17 2HB SER 4 1HB SER 4 15.379 3.917 -10.862 18 HG SER 4 HG SER 4 13.232 4.457 -11.395 19 H TYR 5 H TYR 5 17.182 7.490 -10.792 20 HA TYR 5 HA TYR 5 18.826 6.188 -8.627 21 1HB TYR 5 2HB TYR 5 19.788 6.651 -10.860 22 2HB TYR 5 1HB TYR 5 19.482 8.358 -10.685 23 HD1 TYR 5 HD1 TYR 5 21.404 9.636 -10.137 24 HD2 TYR 5 HD2 TYR 5 21.224 5.580 -8.707 25 HE1 TYR 5 HE1 TYR 5 23.664 9.856 -9.213 26 HE2 TYR 5 HE2 TYR 5 23.483 5.820 -7.772 27 HH TYR 5 HH TYR 5 25.305 8.869 -8.092 28 HA PRO 6 HA PRO 6 17.006 9.372 -5.848 29 1HB PRO 6 2HB PRO 6 19.138 8.502 -3.855 30 2HB PRO 6 1HB PRO 6 17.403 8.751 -3.620 31 1HG PRO 6 2HG PRO 6 18.379 6.230 -3.955 32 2HG PRO 6 1HG PRO 6 16.845 6.691 -4.723 33 1HD PRO 6 2HD PRO 6 19.609 6.469 -6.029 34 2HD PRO 6 1HD PRO 6 18.011 5.935 -6.628 35 HA PRO 7 HA PRO 7 20.790 12.489 -5.207 36 1HB PRO 7 1HB PRO 7 22.666 11.387 -7.351 37 2HB PRO 7 2HB PRO 7 23.058 12.253 -5.854 38 1HG PRO 7 1HG PRO 7 23.347 9.551 -5.977 39 2HG PRO 7 2HG PRO 7 22.659 10.285 -4.509 40 1HD PRO 7 1HD PRO 7 21.149 8.915 -6.803 41 2HD PRO 7 2HD PRO 7 20.924 8.742 -5.045 42 H CYS 8 H CYS 8 20.409 11.183 -8.545 43 HA CYS 8 HA CYS 8 20.087 13.837 -9.816 44 1HB CYS 8 2HB CYS 8 20.856 11.745 -11.022 45 2HB CYS 8 1HB CYS 8 19.197 11.128 -10.977 46 H PHE 9 H PHE 9 17.689 11.572 -8.428 47 HA PHE 9 HA PHE 9 15.261 12.995 -9.272 48 1HB PHE 9 1HB PHE 9 15.293 10.656 -8.372 49 2HB PHE 9 2HB PHE 9 15.773 11.231 -6.802 50 HD1 PHE 9 HD1 PHE 9 14.113 12.546 -5.365 51 HD2 PHE 9 HD2 PHE 9 12.928 10.772 -9.101 52 HE1 PHE 9 HE1 PHE 9 11.748 12.745 -4.725 53 HE2 PHE 9 HE2 PHE 9 10.574 10.965 -8.439 54 HZ PHE 9 HZ PHE 9 9.974 11.957 -6.256 55 H ALA 10 H ALA 10 17.205 13.301 -6.250 56 HA ALA 10 HA ALA 10 15.745 15.544 -5.101 57 1HB ALA 10 1HB ALA 10 17.278 14.082 -3.783 58 2HB ALA 10 2HB ALA 10 18.691 14.719 -4.664 59 3HB ALA 10 3HB ALA 10 17.734 15.784 -3.607 60 H THR 11 H THR 11 18.378 15.630 -7.496 61 HA THR 11 HA THR 11 18.675 18.626 -7.230 62 HB THR 11 HB THR 11 20.441 18.427 -8.996 63 HG1 THR 11 HG1 THR 11 21.133 16.357 -9.529 64 1HG2 THR 11 1HG2 THR 11 22.160 17.282 -7.649 65 2HG2 THR 11 2HG2 THR 11 21.133 18.289 -6.603 66 3HG2 THR 11 3HG2 THR 11 20.920 16.520 -6.626 67 H ASN 12 H ASN 12 17.155 16.401 -9.581 68 HA ASN 12 HA ASN 12 16.879 18.548 -11.641 69 1HB ASN 12 1HB ASN 12 17.411 16.173 -12.220 70 2HB ASN 12 2HB ASN 12 15.846 15.659 -11.635 71 1HD2 ASN 12 1HD2 ASN 12 17.442 17.654 -14.111 72 2HD2 ASN 12 2HD2 ASN 12 16.071 17.517 -15.322 73 HA PRO 13 HA PRO 13 12.753 19.865 -9.880 74 1HB PRO 13 2HB PRO 13 12.554 21.192 -12.633 75 2HB PRO 13 1HB PRO 13 12.151 21.860 -11.038 76 1HG PRO 13 1HG PRO 13 14.503 22.531 -12.219 77 2HG PRO 13 2HG PRO 13 14.489 22.155 -10.479 78 1HD PRO 13 2HD PRO 13 15.362 20.328 -12.786 79 2HD PRO 13 1HD PRO 13 16.137 20.606 -11.197 80 H ASP 14 H ASP 14 12.897 18.489 -13.188 81 HA ASP 14 HA ASP 14 10.045 17.833 -13.392 82 1HB ASP 14 1HB ASP 14 11.681 18.047 -15.334 83 2HB ASP 14 2HB ASP 14 12.400 16.514 -14.882 84 H CYS 15 H CYS 15 12.828 15.774 -12.336 85 HA CYS 15 HA CYS 15 11.158 13.422 -11.673 86 1HB CYS 15 2HB CYS 15 14.057 14.199 -10.974 87 2HB CYS 15 1HB CYS 15 13.293 12.708 -10.437 88 1HN NH2 16 1HN NH2 16 12.914 15.631 -9.323 89 2HN NH2 16 2HN NH2 16 11.624 15.422 -8.036 Start of MODEL 20 1 1H GLY 1 1H GLY 1 16.782 5.655 -14.185 2 2H GLY 1 2H GLY 1 16.620 5.445 -15.815 3 3H GLY 1 3H GLY 1 15.844 6.694 -15.062 4 1HA GLY 1 2HA GLY 1 18.798 6.393 -15.351 5 2HA GLY 1 1HA GLY 1 17.806 7.497 -16.303 6 H CYS 2 H CYS 2 17.125 9.410 -15.356 7 HA CYS 2 HA CYS 2 18.514 10.367 -12.897 8 1HB CYS 2 1HB CYS 2 18.186 11.852 -14.892 9 2HB CYS 2 2HB CYS 2 16.439 11.866 -14.597 10 H CYS 3 H CYS 3 15.020 9.923 -13.728 11 HA CYS 3 HA CYS 3 14.022 10.469 -11.014 12 1HB CYS 3 1HB CYS 3 12.688 8.932 -13.332 13 2HB CYS 3 2HB CYS 3 11.873 9.441 -11.854 14 H SER 4 H SER 4 15.382 7.500 -12.333 15 HA SER 4 HA SER 4 14.350 5.820 -10.026 16 1HB SER 4 1HB SER 4 14.476 4.873 -12.365 17 2HB SER 4 2HB SER 4 16.237 5.028 -12.328 18 HG SER 4 HG SER 4 15.497 2.982 -11.714 19 H TYR 5 H TYR 5 17.351 7.537 -10.886 20 HA TYR 5 HA TYR 5 18.940 6.222 -8.690 21 1HB TYR 5 2HB TYR 5 19.966 6.740 -10.881 22 2HB TYR 5 1HB TYR 5 19.637 8.440 -10.680 23 HD1 TYR 5 HD1 TYR 5 21.535 9.719 -10.059 24 HD2 TYR 5 HD2 TYR 5 21.339 5.642 -8.694 25 HE1 TYR 5 HE1 TYR 5 23.764 9.940 -9.063 26 HE2 TYR 5 HE2 TYR 5 23.565 5.883 -7.686 27 HH TYR 5 HH TYR 5 25.293 7.231 -7.321 28 HA PRO 6 HA PRO 6 17.002 9.345 -5.919 29 1HB PRO 6 2HB PRO 6 19.078 8.483 -3.863 30 2HB PRO 6 1HB PRO 6 17.331 8.679 -3.689 31 1HG PRO 6 1HG PRO 6 18.404 6.188 -4.018 32 2HG PRO 6 2HG PRO 6 16.873 6.613 -4.816 33 1HD PRO 6 1HD PRO 6 19.664 6.483 -6.069 34 2HD PRO 6 2HD PRO 6 18.089 5.927 -6.710 35 HA PRO 7 HA PRO 7 20.729 12.493 -5.120 36 1HB PRO 7 1HB PRO 7 22.675 11.440 -7.226 37 2HB PRO 7 2HB PRO 7 23.017 12.293 -5.709 38 1HG PRO 7 1HG PRO 7 23.341 9.596 -5.853 39 2HG PRO 7 2HG PRO 7 22.604 10.306 -4.397 40 1HD PRO 7 1HD PRO 7 21.175 8.943 -6.747 41 2HD PRO 7 2HD PRO 7 20.902 8.748 -4.998 42 H CYS 8 H CYS 8 20.450 11.226 -8.482 43 HA CYS 8 HA CYS 8 20.125 13.890 -9.731 44 1HB CYS 8 1HB CYS 8 20.945 11.814 -10.937 45 2HB CYS 8 2HB CYS 8 19.290 11.187 -10.945 46 H PHE 9 H PHE 9 17.728 11.589 -8.408 47 HA PHE 9 HA PHE 9 15.300 12.983 -9.299 48 1HB PHE 9 1HB PHE 9 15.349 10.640 -8.403 49 2HB PHE 9 2HB PHE 9 15.773 11.222 -6.820 50 HD1 PHE 9 HD1 PHE 9 13.007 10.676 -9.180 51 HD2 PHE 9 HD2 PHE 9 14.049 12.546 -5.448 52 HE1 PHE 9 HE1 PHE 9 10.632 10.828 -8.585 53 HE2 PHE 9 HE2 PHE 9 11.663 12.703 -4.876 54 HZ PHE 9 HZ PHE 9 9.951 11.846 -6.439 55 H ALA 10 H ALA 10 17.169 13.296 -6.231 56 HA ALA 10 HA ALA 10 15.660 15.518 -5.106 57 1HB ALA 10 1HB ALA 10 17.610 15.772 -3.565 58 2HB ALA 10 2HB ALA 10 17.178 14.065 -3.761 59 3HB ALA 10 3HB ALA 10 18.603 14.723 -4.604 60 H THR 11 H THR 11 18.342 15.645 -7.443 61 HA THR 11 HA THR 11 18.602 18.643 -7.155 62 HB THR 11 HB THR 11 20.405 18.472 -8.885 63 HG1 THR 11 HG1 THR 11 19.620 16.610 -9.906 64 1HG2 THR 11 1HG2 THR 11 20.857 16.554 -6.520 65 2HG2 THR 11 2HG2 THR 11 22.109 17.337 -7.512 66 3HG2 THR 11 3HG2 THR 11 21.050 18.325 -6.480 67 H ASN 12 H ASN 12 17.137 16.417 -9.537 68 HA ASN 12 HA ASN 12 16.881 18.568 -11.597 69 1HB ASN 12 1HB ASN 12 17.432 16.195 -12.174 70 2HB ASN 12 2HB ASN 12 15.859 15.675 -11.614 71 1HD2 ASN 12 1HD2 ASN 12 17.491 17.672 -14.062 72 2HD2 ASN 12 2HD2 ASN 12 16.137 17.540 -15.293 73 HA PRO 13 HA PRO 13 12.730 19.866 -9.885 74 1HB PRO 13 1HB PRO 13 12.554 21.190 -12.641 75 2HB PRO 13 2HB PRO 13 12.131 21.857 -11.051 76 1HG PRO 13 2HG PRO 13 14.493 22.538 -12.206 77 2HG PRO 13 1HG PRO 13 14.461 22.163 -10.466 78 1HD PRO 13 2HD PRO 13 15.369 20.339 -12.763 79 2HD PRO 13 1HD PRO 13 16.123 20.621 -11.164 80 H ASP 14 H ASP 14 12.907 18.502 -13.199 81 HA ASP 14 HA ASP 14 10.056 17.820 -13.409 82 1HB ASP 14 2HB ASP 14 11.671 18.087 -15.355 83 2HB ASP 14 1HB ASP 14 12.434 16.569 -14.921 84 H CYS 15 H CYS 15 12.859 15.819 -12.336 85 HA CYS 15 HA CYS 15 11.219 13.413 -11.735 86 1HB CYS 15 1HB CYS 15 14.094 14.189 -10.950 87 2HB CYS 15 2HB CYS 15 13.323 12.674 -10.479 88 1HN NH2 16 1HN NH2 16 12.903 15.629 -9.340 89 2HN NH2 16 2HN NH2 16 11.600 15.381 -8.072
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