NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8730 | 1mqy | 5582 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 HT1 CYS 1 -0.309 2.710 3.036 2 2H CYS 1 HT2 CYS 1 0.363 1.311 2.343 3 3H CYS 1 HT3 CYS 1 0.519 1.597 4.009 4 HA CYS 1 HA CYS 1 -1.278 -0.027 3.038 5 1HB CYS 1 HB2 CYS 1 -0.859 0.299 5.391 6 2HB CYS 1 HB1 CYS 1 -1.586 1.899 5.347 7 1HN ABA 2 HN ABU 2 -4.302 1.335 1.833 8 HA ABA 2 HA ABU 2 -4.589 -0.883 2.167 9 2HB ABA 2 HB ABU 2 -3.186 -1.989 4.031 10 1HG ABA 2 HG21 ABU 2 -5.569 -1.208 4.163 11 2HG ABA 2 HG22 ABU 2 -4.968 0.310 4.827 12 3HG ABA 2 HG23 ABU 2 -4.704 -1.200 5.699 13 H PHE 3 HN PHE 3 -2.847 -2.966 2.699 14 HA PHE 3 HA PHE 3 -0.457 -2.844 1.146 15 1HB PHE 3 HB2 PHE 3 -0.670 -4.499 2.904 16 2HB PHE 3 HB1 PHE 3 -2.098 -5.186 2.140 17 HD1 PHE 3 HD1 PHE 3 1.290 -4.274 0.861 18 HD2 PHE 3 HD2 PHE 3 -1.652 -7.304 1.393 19 HE1 PHE 3 HE1 PHE 3 2.702 -5.865 -0.378 20 HE2 PHE 3 HE2 PHE 3 -0.243 -8.898 0.162 21 HZ PHE 3 HZ PHE 3 1.934 -8.177 -0.730 22 1HN ABA 4 HN ABU 4 -0.925 -2.067 -0.892 23 HA ABA 4 HA ABU 4 -2.488 -3.899 -2.593 24 2HB ABA 4 HB ABU 4 -1.034 -2.658 -4.445 25 1HG ABA 4 HG21 ABU 4 -1.045 -5.056 -4.095 26 2HG ABA 4 HG22 ABU 4 -0.012 -4.880 -2.676 27 3HG ABA 4 HG23 ABU 4 0.615 -4.488 -4.277 28 H LEU 5 HN LEU 5 -3.376 -1.497 -1.035 29 HA LEU 5 HA LEU 5 -4.451 0.030 -3.307 30 1HB LEU 5 HB2 LEU 5 -5.773 -1.022 -0.844 31 2HB LEU 5 HB1 LEU 5 -6.402 0.424 -1.612 32 HG LEU 5 HG LEU 5 -5.990 -2.146 -3.113 33 1HD1 LEU 5 HD11 LEU 5 -8.008 -1.488 -1.140 34 2HD1 LEU 5 HD12 LEU 5 -7.687 -3.018 -1.955 35 3HD1 LEU 5 HD13 LEU 5 -8.714 -1.807 -2.724 36 1HD2 LEU 5 HD21 LEU 5 -7.423 -1.178 -4.742 37 2HD2 LEU 5 HD22 LEU 5 -6.185 0.017 -4.352 38 3HD2 LEU 5 HD23 LEU 5 -7.809 0.179 -3.683 39 HA PRO 6 HA PRO 6 -1.920 3.179 -1.234 40 1HB PRO 6 HB2 PRO 6 -3.086 4.657 -3.522 41 2HB PRO 6 HB1 PRO 6 -1.409 4.560 -2.986 42 1HG PRO 6 HG2 PRO 6 -2.307 3.238 -5.147 43 2HG PRO 6 HG1 PRO 6 -1.025 2.593 -4.108 44 1HD PRO 6 HD2 PRO 6 -3.853 1.740 -4.367 45 2HD PRO 6 HD1 PRO 6 -2.430 0.820 -3.851 46 H GLY 7 HN GLY 7 -3.182 3.558 0.589 47 1HA GLY 7 HA2 GLY 7 -5.694 5.004 0.274 48 2HA GLY 7 HA1 GLY 7 -5.061 4.325 1.766 49 H GLY 8 HN GLY 8 -3.779 5.563 3.086 50 1HA GLY 8 HA2 GLY 8 -3.300 8.331 2.181 51 2HA GLY 8 HA1 GLY 8 -4.000 7.984 3.755 52 H GLY 9 HN GLY 9 -1.099 7.743 1.791 53 1HA GLY 9 HA2 GLY 9 0.971 8.465 2.864 54 2HA GLY 9 HA1 GLY 9 0.450 7.606 4.305 55 H GLY 10 HN GLY 10 -0.003 6.212 1.153 56 1HA GLY 10 HA2 GLY 10 2.458 4.796 1.043 57 2HA GLY 10 HA1 GLY 10 1.207 3.798 1.770 58 H VAL 11 HN VAL 11 2.622 3.379 -0.677 59 HA VAL 11 HA VAL 11 0.357 3.388 -2.566 60 HB VAL 11 HB VAL 11 3.260 3.373 -3.410 61 1HG1 VAL 11 HG11 VAL 11 1.897 4.435 -5.473 62 2HG1 VAL 11 HG12 VAL 11 0.665 3.365 -4.800 63 3HG1 VAL 11 HG13 VAL 11 2.227 2.712 -5.294 64 1HG2 VAL 11 HG21 VAL 11 1.537 5.659 -2.677 65 2HG2 VAL 11 HG22 VAL 11 2.491 5.823 -4.152 66 3HG2 VAL 11 HG23 VAL 11 3.292 5.490 -2.617 67 H CYS 12 HN CYS 12 0.640 1.480 -4.175 68 HA CYS 12 HA CYS 12 0.568 -0.880 -2.709 69 1HB CYS 12 HB2 CYS 12 -0.489 -0.502 -4.937 70 2HB CYS 12 HB1 CYS 12 1.108 -0.640 -5.658 71 1HN ABA 13 HN ABU 13 2.325 -1.407 -1.530 72 HA ABA 13 HA ABU 13 4.636 -2.413 -2.992 73 2HB ABA 13 HB ABU 13 3.292 -3.066 -0.497 74 1HG ABA 13 HG21 ABU 13 5.277 -4.667 -2.093 75 2HG ABA 13 HG22 ABU 13 3.587 -4.482 -2.563 76 3HG ABA 13 HG23 ABU 13 3.996 -5.263 -1.035 77 H LEU 14 HN LEU 14 3.736 0.388 -1.483 78 HA LEU 14 HA LEU 14 6.540 1.103 -0.926 79 1HB LEU 14 HB2 LEU 14 4.472 2.908 -2.173 80 2HB LEU 14 HB1 LEU 14 6.186 3.223 -1.994 81 HG LEU 14 HG LEU 14 4.967 1.134 -3.815 82 1HD1 LEU 14 HD11 LEU 14 6.335 2.946 -5.348 83 2HD1 LEU 14 HD12 LEU 14 5.578 3.970 -4.127 84 3HD1 LEU 14 HD13 LEU 14 4.587 2.900 -5.121 85 1HD2 LEU 14 HD21 LEU 14 7.215 0.566 -2.904 86 2HD2 LEU 14 HD22 LEU 14 7.833 2.063 -3.603 87 3HD2 LEU 14 HD23 LEU 14 7.193 0.797 -4.653 88 1HN ABA 15 HN ABU 15 6.325 1.001 1.333 89 HA ABA 15 HA ABU 15 4.254 2.620 2.594 90 2HB ABA 15 HB ABU 15 6.232 3.635 4.038 91 1HG ABA 15 HG21 ABU 15 6.051 5.651 2.709 92 2HG ABA 15 HG22 ABU 15 4.485 4.843 2.791 93 3HG ABA 15 HG23 ABU 15 5.466 4.718 1.331 94 1HN DHA 16 HN DHA 16 4.196 2.381 4.870 95 2HB DHA 16 HB1 DHA 16 5.879 2.173 7.088 96 3HB DHA 16 HB2 DHA 16 5.519 0.551 7.949 97 H GLU 17 HN GLU 17 3.319 -0.216 4.248 98 HA GLU 17 HA GLU 17 2.611 -2.502 5.883 99 1HB GLU 17 HB2 GLU 17 0.930 -2.950 4.266 100 2HB GLU 17 HB1 GLU 17 0.942 -1.214 4.495 101 1HG GLU 17 HG2 GLU 17 2.503 -2.440 2.265 102 2HG GLU 17 HG1 GLU 17 0.763 -2.213 2.107 103 H CYS 18 HN CYS 18 4.898 -1.702 3.541 104 HA CYS 18 HA CYS 18 5.418 -4.548 3.020 105 1HB CYS 18 HB2 CYS 18 5.718 -2.169 1.192 106 2HB CYS 18 HB1 CYS 18 6.433 -3.737 0.836 107 H ILE 19 HN ILE 19 7.258 -1.505 2.587 108 HA ILE 19 HA ILE 19 9.425 -2.794 4.117 109 HB ILE 19 HB ILE 19 9.722 -0.564 2.090 110 1HG1 ILE 19 HG12 ILE 19 9.062 -2.654 0.998 111 2HG1 ILE 19 HG11 ILE 19 10.734 -2.256 0.628 112 1HG2 ILE 19 HG21 ILE 19 11.391 -0.830 4.036 113 2HG2 ILE 19 HG22 ILE 19 12.028 -0.689 2.396 114 3HG2 ILE 19 HG23 ILE 19 11.934 -2.269 3.176 115 1HD1 ILE 19 HD11 ILE 19 11.391 -4.226 1.363 116 2HD1 ILE 19 HD12 ILE 19 9.708 -4.657 1.665 117 3HD1 ILE 19 HD13 ILE 19 10.671 -3.914 2.944 118 1HN TEE 20 HN TEA 20 9.240 0.567 3.253 119 HB2 TEE 20 HB2 TEA 20 7.114 2.470 4.706 120 HA TEE 20 HA TEA 20 7.958 1.330 5.017 Start of MODEL 2 1 1H CYS 1 HT1 CYS 1 0.067 1.996 3.660 2 2H CYS 1 HT2 CYS 1 -0.575 3.008 2.462 3 3H CYS 1 HT3 CYS 1 -0.011 1.459 2.050 4 HA CYS 1 HA CYS 1 -1.814 0.414 2.776 5 1HB CYS 1 HB2 CYS 1 -1.498 1.028 5.092 6 2HB CYS 1 HB1 CYS 1 -2.110 2.650 4.788 7 1HN ABA 2 HN ABU 2 -4.613 1.831 1.199 8 HA ABA 2 HA ABU 2 -5.034 -0.333 1.724 9 2HB ABA 2 HB ABU 2 -3.923 -1.287 3.812 10 1HG ABA 2 HG21 ABU 2 -6.180 -0.347 3.787 11 2HG ABA 2 HG22 ABU 2 -5.514 1.260 4.085 12 3HG ABA 2 HG23 ABU 2 -5.353 -0.002 5.307 13 H PHE 3 HN PHE 3 -3.235 -2.305 2.774 14 HA PHE 3 HA PHE 3 -0.767 -2.406 1.416 15 1HB PHE 3 HB2 PHE 3 -1.195 -3.858 3.304 16 2HB PHE 3 HB1 PHE 3 -2.545 -4.615 2.471 17 HD1 PHE 3 HD1 PHE 3 0.979 -3.885 1.453 18 HD2 PHE 3 HD2 PHE 3 -2.061 -6.803 2.039 19 HE1 PHE 3 HE1 PHE 3 2.482 -5.624 0.577 20 HE2 PHE 3 HE2 PHE 3 -0.561 -8.548 1.167 21 HZ PHE 3 HZ PHE 3 1.714 -7.957 0.436 22 1HN ABA 4 HN ABU 4 -0.753 -2.059 -0.747 23 HA ABA 4 HA ABU 4 -2.134 -4.061 -2.381 24 2HB ABA 4 HB ABU 4 -0.694 -2.779 -4.222 25 1HG ABA 4 HG21 ABU 4 0.130 -4.913 -2.288 26 2HG ABA 4 HG22 ABU 4 1.175 -4.422 -3.622 27 3HG ABA 4 HG23 ABU 4 -0.427 -5.081 -3.952 28 H LEU 5 HN LEU 5 -3.400 -1.612 -1.148 29 HA LEU 5 HA LEU 5 -4.505 -0.508 -3.644 30 1HB LEU 5 HB2 LEU 5 -5.976 -1.371 -1.160 31 2HB LEU 5 HB1 LEU 5 -6.713 -0.504 -2.497 32 HG LEU 5 HG LEU 5 -5.376 -3.189 -2.773 33 1HD1 LEU 5 HD11 LEU 5 -7.282 -4.242 -2.247 34 2HD1 LEU 5 HD12 LEU 5 -8.285 -3.036 -3.055 35 3HD1 LEU 5 HD13 LEU 5 -7.700 -2.743 -1.417 36 1HD2 LEU 5 HD21 LEU 5 -7.071 -1.519 -4.616 37 2HD2 LEU 5 HD22 LEU 5 -6.687 -3.215 -4.904 38 3HD2 LEU 5 HD23 LEU 5 -5.395 -2.016 -4.843 39 HA PRO 6 HA PRO 6 -3.007 3.063 -1.169 40 1HB PRO 6 HB2 PRO 6 -2.711 4.141 -3.890 41 2HB PRO 6 HB1 PRO 6 -1.523 4.035 -2.590 42 1HG PRO 6 HG2 PRO 6 -1.356 2.462 -4.741 43 2HG PRO 6 HG1 PRO 6 -0.935 1.863 -3.123 44 1HD PRO 6 HD2 PRO 6 -3.435 1.432 -4.700 45 2HD PRO 6 HD1 PRO 6 -2.511 0.270 -3.736 46 H GLY 7 HN GLY 7 -5.134 3.547 -0.441 47 1HA GLY 7 HA2 GLY 7 -6.701 5.268 -2.258 48 2HA GLY 7 HA1 GLY 7 -7.358 4.433 -0.856 49 H GLY 8 HN GLY 8 -5.107 5.089 0.847 50 1HA GLY 8 HA2 GLY 8 -4.593 7.848 0.925 51 2HA GLY 8 HA1 GLY 8 -5.967 7.507 1.969 52 H GLY 9 HN GLY 9 -2.581 6.747 1.362 53 1HA GLY 9 HA2 GLY 9 -1.790 6.832 4.024 54 2HA GLY 9 HA1 GLY 9 -2.234 5.165 3.697 55 H GLY 10 HN GLY 10 -1.341 5.347 0.878 56 1HA GLY 10 HA2 GLY 10 1.343 6.114 0.689 57 2HA GLY 10 HA1 GLY 10 1.312 4.446 1.241 58 H VAL 11 HN VAL 11 2.271 3.689 -0.677 59 HA VAL 11 HA VAL 11 0.379 3.574 -2.932 60 HB VAL 11 HB VAL 11 3.348 3.481 -3.412 61 1HG1 VAL 11 HG11 VAL 11 2.769 3.956 -5.682 62 2HG1 VAL 11 HG12 VAL 11 1.086 4.243 -5.243 63 3HG1 VAL 11 HG13 VAL 11 1.764 2.620 -5.119 64 1HG2 VAL 11 HG21 VAL 11 2.449 5.973 -4.303 65 2HG2 VAL 11 HG22 VAL 11 3.569 5.648 -2.979 66 3HG2 VAL 11 HG23 VAL 11 1.844 5.811 -2.654 67 H CYS 12 HN CYS 12 0.665 1.571 -4.240 68 HA CYS 12 HA CYS 12 0.539 -0.658 -2.603 69 1HB CYS 12 HB2 CYS 12 -0.525 -0.564 -4.798 70 2HB CYS 12 HB1 CYS 12 1.058 -0.571 -5.569 71 1HN ABA 13 HN ABU 13 2.223 -1.351 -1.404 72 HA ABA 13 HA ABU 13 4.589 -2.307 -2.825 73 2HB ABA 13 HB ABU 13 3.328 -2.862 -0.222 74 1HG ABA 13 HG21 ABU 13 4.474 -5.147 -1.049 75 2HG ABA 13 HG22 ABU 13 4.316 -4.309 -2.592 76 3HG ABA 13 HG23 ABU 13 2.892 -4.598 -1.596 77 H LEU 14 HN LEU 14 3.724 0.552 -1.633 78 HA LEU 14 HA LEU 14 6.500 1.208 -0.912 79 1HB LEU 14 HB2 LEU 14 4.497 3.074 -2.169 80 2HB LEU 14 HB1 LEU 14 6.223 3.316 -2.000 81 HG LEU 14 HG LEU 14 4.896 1.295 -3.823 82 1HD1 LEU 14 HD11 LEU 14 5.406 2.682 -5.610 83 2HD1 LEU 14 HD12 LEU 14 6.569 3.628 -4.682 84 3HD1 LEU 14 HD13 LEU 14 4.842 3.817 -4.383 85 1HD2 LEU 14 HD21 LEU 14 6.950 0.490 -4.395 86 2HD2 LEU 14 HD22 LEU 14 7.264 0.888 -2.705 87 3HD2 LEU 14 HD23 LEU 14 7.780 1.990 -3.982 88 1HN ABA 15 HN ABU 15 6.440 1.279 1.264 89 HA ABA 15 HA ABU 15 4.294 2.802 2.556 90 2HB ABA 15 HB ABU 15 6.318 3.631 4.089 91 1HG ABA 15 HG21 ABU 15 4.675 5.080 3.149 92 2HG ABA 15 HG22 ABU 15 5.319 4.855 1.525 93 3HG ABA 15 HG23 ABU 15 6.260 5.735 2.729 94 1HN DHA 16 HN DHA 16 4.291 2.488 4.908 95 2HB DHA 16 HB1 DHA 16 6.124 1.800 6.998 96 3HB DHA 16 HB2 DHA 16 5.537 0.186 7.740 97 H GLU 17 HN GLU 17 3.598 -0.149 3.857 98 HA GLU 17 HA GLU 17 2.168 -2.229 5.287 99 1HB GLU 17 HB2 GLU 17 1.041 -2.573 3.120 100 2HB GLU 17 HB1 GLU 17 0.942 -0.903 3.646 101 1HG GLU 17 HG2 GLU 17 2.852 -0.384 2.134 102 2HG GLU 17 HG1 GLU 17 2.756 -2.035 1.530 103 H CYS 18 HN CYS 18 4.958 -1.744 3.411 104 HA CYS 18 HA CYS 18 5.340 -4.639 3.110 105 1HB CYS 18 HB2 CYS 18 5.849 -2.430 1.123 106 2HB CYS 18 HB1 CYS 18 6.485 -4.056 0.917 107 H ILE 19 HN ILE 19 7.354 -1.691 2.617 108 HA ILE 19 HA ILE 19 9.350 -3.018 4.334 109 HB ILE 19 HB ILE 19 9.884 -1.115 2.046 110 1HG1 ILE 19 HG12 ILE 19 10.504 -4.055 2.402 111 2HG1 ILE 19 HG11 ILE 19 9.302 -3.374 1.311 112 1HG2 ILE 19 HG21 ILE 19 11.405 -1.473 4.342 113 2HG2 ILE 19 HG22 ILE 19 11.943 -0.771 2.815 114 3HG2 ILE 19 HG23 ILE 19 12.189 -2.487 3.129 115 1HD1 ILE 19 HD11 ILE 19 12.055 -3.876 0.846 116 2HD1 ILE 19 HD12 ILE 19 11.772 -2.140 0.720 117 3HD1 ILE 19 HD13 ILE 19 10.836 -3.259 -0.270 118 1HN TEE 20 HN TEA 20 9.137 0.286 3.123 119 HB2 TEE 20 HB2 TEA 20 7.886 2.576 3.610 120 HA TEE 20 HA TEA 20 8.140 1.005 4.942 Start of MODEL 3 1 1H CYS 1 HT1 CYS 1 -0.297 1.520 1.811 2 2H CYS 1 HT2 CYS 1 -0.163 2.073 3.412 3 3H CYS 1 HT3 CYS 1 -0.855 3.070 2.231 4 HA CYS 1 HA CYS 1 -2.059 0.466 2.673 5 1HB CYS 1 HB2 CYS 1 -1.667 1.242 4.937 6 2HB CYS 1 HB1 CYS 1 -2.365 2.809 4.548 7 1HN ABA 2 HN ABU 2 -4.908 1.735 1.079 8 HA ABA 2 HA ABU 2 -5.284 -0.398 1.745 9 2HB ABA 2 HB ABU 2 -3.828 -1.164 3.832 10 1HG ABA 2 HG21 ABU 2 -5.797 -0.958 4.855 11 2HG ABA 2 HG22 ABU 2 -6.367 -0.080 3.435 12 3HG ABA 2 HG23 ABU 2 -5.704 0.802 4.809 13 H PHE 3 HN PHE 3 -3.517 -2.375 2.718 14 HA PHE 3 HA PHE 3 -1.038 -2.502 1.414 15 1HB PHE 3 HB2 PHE 3 -1.530 -4.029 3.202 16 2HB PHE 3 HB1 PHE 3 -2.922 -4.675 2.343 17 HD1 PHE 3 HD1 PHE 3 0.604 -4.070 1.281 18 HD2 PHE 3 HD2 PHE 3 -2.537 -6.881 1.869 19 HE1 PHE 3 HE1 PHE 3 2.005 -5.842 0.305 20 HE2 PHE 3 HE2 PHE 3 -1.141 -8.654 0.894 21 HZ PHE 3 HZ PHE 3 1.132 -8.137 0.110 22 1HN ABA 4 HN ABU 4 -0.825 -2.177 -0.722 23 HA ABA 4 HA ABU 4 -2.247 -4.014 -2.494 24 2HB ABA 4 HB ABU 4 -0.669 -2.845 -4.241 25 1HG ABA 4 HG21 ABU 4 -0.507 -5.176 -3.656 26 2HG ABA 4 HG22 ABU 4 0.288 -4.779 -2.131 27 3HG ABA 4 HG23 ABU 4 1.108 -4.470 -3.663 28 H LEU 5 HN LEU 5 -3.437 -1.543 -1.228 29 HA LEU 5 HA LEU 5 -4.323 -0.268 -3.725 30 1HB LEU 5 HB2 LEU 5 -6.019 -1.142 -1.390 31 2HB LEU 5 HB1 LEU 5 -6.601 -0.200 -2.753 32 HG LEU 5 HG LEU 5 -5.363 -2.924 -3.046 33 1HD1 LEU 5 HD11 LEU 5 -7.856 -2.298 -1.902 34 2HD1 LEU 5 HD12 LEU 5 -7.263 -3.880 -2.410 35 3HD1 LEU 5 HD13 LEU 5 -8.183 -2.880 -3.535 36 1HD2 LEU 5 HD21 LEU 5 -5.401 -1.347 -5.001 37 2HD2 LEU 5 HD22 LEU 5 -7.162 -1.423 -4.929 38 3HD2 LEU 5 HD23 LEU 5 -6.231 -2.886 -5.248 39 HA PRO 6 HA PRO 6 -2.662 3.130 -1.128 40 1HB PRO 6 HB2 PRO 6 -2.849 4.309 -3.846 41 2HB PRO 6 HB1 PRO 6 -1.515 4.361 -2.691 42 1HG PRO 6 HG2 PRO 6 -1.365 2.781 -4.814 43 2HG PRO 6 HG1 PRO 6 -0.790 2.217 -3.232 44 1HD PRO 6 HD2 PRO 6 -3.335 1.584 -4.653 45 2HD PRO 6 HD1 PRO 6 -2.284 0.496 -3.735 46 H GLY 7 HN GLY 7 -4.380 3.805 0.043 47 1HA GLY 7 HA2 GLY 7 -6.574 5.141 -1.412 48 2HA GLY 7 HA1 GLY 7 -6.793 4.223 0.068 49 H GLY 8 HN GLY 8 -4.106 6.420 -0.363 50 1HA GLY 8 HA2 GLY 8 -4.299 8.793 0.187 51 2HA GLY 8 HA1 GLY 8 -5.493 8.350 1.393 52 H GLY 9 HN GLY 9 -2.571 6.487 0.966 53 1HA GLY 9 HA2 GLY 9 -0.859 7.850 2.674 54 2HA GLY 9 HA1 GLY 9 -1.833 6.799 3.693 55 H GLY 10 HN GLY 10 0.188 6.743 0.772 56 1HA GLY 10 HA2 GLY 10 2.161 5.239 0.889 57 2HA GLY 10 HA1 GLY 10 1.076 4.048 1.601 58 H VAL 11 HN VAL 11 2.671 3.759 -0.788 59 HA VAL 11 HA VAL 11 0.529 3.552 -2.797 60 HB VAL 11 HB VAL 11 3.460 3.308 -3.456 61 1HG1 VAL 11 HG11 VAL 11 1.858 2.555 -5.134 62 2HG1 VAL 11 HG12 VAL 11 2.726 3.989 -5.683 63 3HG1 VAL 11 HG13 VAL 11 1.069 4.132 -5.096 64 1HG2 VAL 11 HG21 VAL 11 2.487 5.883 -4.188 65 2HG2 VAL 11 HG22 VAL 11 3.851 5.469 -3.150 66 3HG2 VAL 11 HG23 VAL 11 2.239 5.652 -2.458 67 H CYS 12 HN CYS 12 0.804 1.524 -4.209 68 HA CYS 12 HA CYS 12 0.519 -0.678 -2.573 69 1HB CYS 12 HB2 CYS 12 -0.438 -0.594 -4.806 70 2HB CYS 12 HB1 CYS 12 1.173 -0.638 -5.515 71 1HN ABA 13 HN ABU 13 2.129 -1.283 -1.247 72 HA ABA 13 HA ABU 13 4.496 -2.487 -2.456 73 2HB ABA 13 HB ABU 13 3.153 -2.645 0.196 74 1HG ABA 13 HG21 ABU 13 2.912 -4.153 -1.967 75 2HG ABA 13 HG22 ABU 13 2.831 -4.838 -0.343 76 3HG ABA 13 HG23 ABU 13 4.327 -4.945 -1.273 77 H LEU 14 HN LEU 14 3.762 0.517 -1.556 78 HA LEU 14 HA LEU 14 6.548 1.092 -0.792 79 1HB LEU 14 HB2 LEU 14 4.634 2.963 -2.173 80 2HB LEU 14 HB1 LEU 14 6.363 3.157 -1.976 81 HG LEU 14 HG LEU 14 5.007 1.095 -3.725 82 1HD1 LEU 14 HD11 LEU 14 4.956 2.719 -5.239 83 2HD1 LEU 14 HD12 LEU 14 6.719 2.754 -5.190 84 3HD1 LEU 14 HD13 LEU 14 5.787 3.828 -4.148 85 1HD2 LEU 14 HD21 LEU 14 7.096 0.251 -2.769 86 2HD2 LEU 14 HD22 LEU 14 7.940 1.697 -3.326 87 3HD2 LEU 14 HD23 LEU 14 7.264 0.564 -4.496 88 1HN ABA 15 HN ABU 15 6.443 1.233 1.371 89 HA ABA 15 HA ABU 15 4.330 2.833 2.594 90 2HB ABA 15 HB ABU 15 6.355 3.713 4.110 91 1HG ABA 15 HG21 ABU 15 6.169 5.797 2.857 92 2HG ABA 15 HG22 ABU 15 4.597 5.012 2.997 93 3HG ABA 15 HG23 ABU 15 5.493 4.925 1.479 94 1HN DHA 16 HN DHA 16 4.264 2.495 4.940 95 2HB DHA 16 HB1 DHA 16 6.074 1.717 7.067 96 3HB DHA 16 HB2 DHA 16 5.436 0.094 7.743 97 H GLU 17 HN GLU 17 3.944 -0.367 3.753 98 HA GLU 17 HA GLU 17 2.388 -2.392 5.184 99 1HB GLU 17 HB2 GLU 17 1.146 -2.642 3.076 100 2HB GLU 17 HB1 GLU 17 1.051 -1.008 3.700 101 1HG GLU 17 HG2 GLU 17 2.787 -0.334 2.087 102 2HG GLU 17 HG1 GLU 17 2.789 -1.975 1.442 103 H CYS 18 HN CYS 18 5.179 -1.884 3.350 104 HA CYS 18 HA CYS 18 5.565 -4.773 3.101 105 1HB CYS 18 HB2 CYS 18 6.039 -2.746 0.918 106 2HB CYS 18 HB1 CYS 18 6.761 -4.345 0.896 107 H ILE 19 HN ILE 19 7.331 -1.718 2.481 108 HA ILE 19 HA ILE 19 9.526 -2.828 4.108 109 HB ILE 19 HB ILE 19 9.769 -0.758 1.917 110 1HG1 ILE 19 HG12 ILE 19 10.561 -3.684 1.886 111 2HG1 ILE 19 HG11 ILE 19 9.170 -3.008 1.046 112 1HG2 ILE 19 HG21 ILE 19 11.931 -2.283 3.363 113 2HG2 ILE 19 HG22 ILE 19 11.437 -0.639 3.768 114 3HG2 ILE 19 HG23 ILE 19 12.143 -0.984 2.188 115 1HD1 ILE 19 HD11 ILE 19 12.078 -2.556 0.488 116 2HD1 ILE 19 HD12 ILE 19 10.810 -1.536 -0.187 117 3HD1 ILE 19 HD13 ILE 19 10.853 -3.258 -0.569 118 1HN TEE 20 HN TEA 20 8.848 0.430 2.960 119 HB2 TEE 20 HB2 TEA 20 9.551 3.476 4.449 120 HA TEE 20 HA TEA 20 7.718 1.182 4.901 Start of MODEL 4 1 1H CYS 1 HT1 CYS 1 -0.227 1.473 1.948 2 2H CYS 1 HT2 CYS 1 -0.144 2.117 3.518 3 3H CYS 1 HT3 CYS 1 -0.812 3.033 2.259 4 HA CYS 1 HA CYS 1 -2.027 0.456 2.722 5 1HB CYS 1 HB2 CYS 1 -1.683 1.126 5.010 6 2HB CYS 1 HB1 CYS 1 -2.280 2.748 4.669 7 1HN ABA 2 HN ABU 2 -4.849 1.791 1.136 8 HA ABA 2 HA ABU 2 -5.262 -0.351 1.759 9 2HB ABA 2 HB ABU 2 -3.892 -1.178 3.864 10 1HG ABA 2 HG21 ABU 2 -6.279 -0.823 3.857 11 2HG ABA 2 HG22 ABU 2 -6.050 0.920 3.992 12 3HG ABA 2 HG23 ABU 2 -5.577 -0.138 5.320 13 H PHE 3 HN PHE 3 -3.526 -2.316 2.799 14 HA PHE 3 HA PHE 3 -1.020 -2.448 1.547 15 1HB PHE 3 HB2 PHE 3 -1.638 -3.880 3.435 16 2HB PHE 3 HB1 PHE 3 -2.853 -4.683 2.448 17 HD1 PHE 3 HD1 PHE 3 0.709 -3.788 1.813 18 HD2 PHE 3 HD2 PHE 3 -2.212 -6.871 2.102 19 HE1 PHE 3 HE1 PHE 3 2.386 -5.438 1.096 20 HE2 PHE 3 HE2 PHE 3 -0.532 -8.525 1.395 21 HZ PHE 3 HZ PHE 3 1.746 -7.842 0.920 22 1HN ABA 4 HN ABU 4 -0.874 -2.133 -0.617 23 HA ABA 4 HA ABU 4 -2.193 -4.118 -2.312 24 2HB ABA 4 HB ABU 4 -0.066 -2.190 -3.139 25 1HG ABA 4 HG21 ABU 4 1.092 -3.332 -1.523 26 2HG ABA 4 HG22 ABU 4 1.367 -4.365 -2.925 27 3HG ABA 4 HG23 ABU 4 0.140 -4.803 -1.734 28 H LEU 5 HN LEU 5 -3.261 -1.411 -1.203 29 HA LEU 5 HA LEU 5 -4.148 -0.349 -3.792 30 1HB LEU 5 HB2 LEU 5 -5.820 -1.019 -1.390 31 2HB LEU 5 HB1 LEU 5 -6.372 0.086 -2.637 32 HG LEU 5 HG LEU 5 -5.555 -2.772 -3.135 33 1HD1 LEU 5 HD11 LEU 5 -7.556 -2.806 -1.839 34 2HD1 LEU 5 HD12 LEU 5 -8.008 -3.094 -3.521 35 3HD1 LEU 5 HD13 LEU 5 -8.264 -1.506 -2.796 36 1HD2 LEU 5 HD21 LEU 5 -5.337 -1.001 -4.970 37 2HD2 LEU 5 HD22 LEU 5 -7.105 -0.980 -4.965 38 3HD2 LEU 5 HD23 LEU 5 -6.240 -2.475 -5.340 39 HA PRO 6 HA PRO 6 -2.184 3.072 -1.555 40 1HB PRO 6 HB2 PRO 6 -1.901 4.530 -3.893 41 2HB PRO 6 HB1 PRO 6 -0.711 3.395 -3.253 42 1HG PRO 6 HG2 PRO 6 -2.726 3.010 -5.408 43 2HG PRO 6 HG1 PRO 6 -1.078 2.379 -5.287 44 1HD PRO 6 HD2 PRO 6 -3.255 0.851 -4.798 45 2HD PRO 6 HD1 PRO 6 -1.717 0.619 -3.945 46 H GLY 7 HN GLY 7 -4.216 3.570 -0.530 47 1HA GLY 7 HA2 GLY 7 -6.184 5.146 -1.921 48 2HA GLY 7 HA1 GLY 7 -6.135 4.827 -0.190 49 H GLY 8 HN GLY 8 -4.984 6.190 1.163 50 1HA GLY 8 HA2 GLY 8 -3.668 8.502 -0.083 51 2HA GLY 8 HA1 GLY 8 -4.912 8.792 1.125 52 H GLY 9 HN GLY 9 -3.070 5.964 1.603 53 1HA GLY 9 HA2 GLY 9 -1.397 7.376 3.582 54 2HA GLY 9 HA1 GLY 9 -2.263 5.902 3.988 55 H GLY 10 HN GLY 10 -0.626 6.494 0.922 56 1HA GLY 10 HA2 GLY 10 1.797 5.712 0.826 57 2HA GLY 10 HA1 GLY 10 1.181 4.267 1.614 58 H VAL 11 HN VAL 11 2.465 3.875 -0.683 59 HA VAL 11 HA VAL 11 0.339 3.531 -2.695 60 HB VAL 11 HB VAL 11 3.291 3.454 -3.318 61 1HG1 VAL 11 HG11 VAL 11 1.742 4.487 -5.437 62 2HG1 VAL 11 HG12 VAL 11 0.896 3.069 -4.816 63 3HG1 VAL 11 HG13 VAL 11 2.570 2.934 -5.347 64 1HG2 VAL 11 HG21 VAL 11 3.513 5.678 -3.394 65 2HG2 VAL 11 HG22 VAL 11 2.127 5.699 -2.307 66 3HG2 VAL 11 HG23 VAL 11 1.892 5.919 -4.043 67 H CYS 12 HN CYS 12 0.547 1.517 -3.990 68 HA CYS 12 HA CYS 12 0.614 -0.732 -2.368 69 1HB CYS 12 HB2 CYS 12 -0.597 -0.637 -4.499 70 2HB CYS 12 HB1 CYS 12 0.938 -0.587 -5.358 71 1HN ABA 13 HN ABU 13 2.321 -1.561 -1.372 72 HA ABA 13 HA ABU 13 4.674 -2.241 -2.952 73 2HB ABA 13 HB ABU 13 3.304 -3.502 -0.894 74 1HG ABA 13 HG21 ABU 13 5.434 -4.003 -2.762 75 2HG ABA 13 HG22 ABU 13 4.229 -5.115 -2.111 76 3HG ABA 13 HG23 ABU 13 5.734 -4.824 -1.234 77 H LEU 14 HN LEU 14 3.832 0.477 -1.741 78 HA LEU 14 HA LEU 14 6.575 1.165 -0.924 79 1HB LEU 14 HB2 LEU 14 4.561 3.023 -2.180 80 2HB LEU 14 HB1 LEU 14 6.294 3.246 -2.039 81 HG LEU 14 HG LEU 14 4.912 1.227 -3.835 82 1HD1 LEU 14 HD11 LEU 14 6.045 2.712 -5.590 83 2HD1 LEU 14 HD12 LEU 14 6.173 3.916 -4.307 84 3HD1 LEU 14 HD13 LEU 14 4.589 3.326 -4.812 85 1HD2 LEU 14 HD21 LEU 14 7.273 0.755 -2.782 86 2HD2 LEU 14 HD22 LEU 14 7.817 1.929 -3.983 87 3HD2 LEU 14 HD23 LEU 14 6.981 0.461 -4.495 88 1HN ABA 15 HN ABU 15 6.474 1.233 1.271 89 HA ABA 15 HA ABU 15 4.371 2.882 2.488 90 2HB ABA 15 HB ABU 15 6.328 3.694 4.035 91 1HG ABA 15 HG21 ABU 15 6.571 5.262 1.651 92 2HG ABA 15 HG22 ABU 15 5.686 5.618 3.133 93 3HG ABA 15 HG23 ABU 15 4.905 4.713 1.836 94 1HN DHA 16 HN DHA 16 4.155 2.562 4.768 95 2HB DHA 16 HB1 DHA 16 5.812 1.986 7.025 96 3HB DHA 16 HB2 DHA 16 5.186 0.393 7.779 97 H GLU 17 HN GLU 17 3.654 -0.175 3.765 98 HA GLU 17 HA GLU 17 2.195 -2.255 5.198 99 1HB GLU 17 HB2 GLU 17 1.020 -2.583 3.085 100 2HB GLU 17 HB1 GLU 17 0.952 -0.896 3.560 101 1HG GLU 17 HG2 GLU 17 2.892 -0.506 2.008 102 2HG GLU 17 HG1 GLU 17 2.654 -2.152 1.422 103 H CYS 18 HN CYS 18 4.982 -1.699 3.322 104 HA CYS 18 HA CYS 18 5.379 -4.587 2.983 105 1HB CYS 18 HB2 CYS 18 5.805 -2.351 1.022 106 2HB CYS 18 HB1 CYS 18 6.563 -3.923 0.805 107 H ILE 19 HN ILE 19 7.324 -1.636 2.449 108 HA ILE 19 HA ILE 19 9.507 -2.961 3.903 109 HB ILE 19 HB ILE 19 9.744 -0.606 2.020 110 1HG1 ILE 19 HG12 ILE 19 10.298 -3.527 1.452 111 2HG1 ILE 19 HG11 ILE 19 8.871 -2.662 0.889 112 1HG2 ILE 19 HG21 ILE 19 11.689 -2.367 3.464 113 2HG2 ILE 19 HG22 ILE 19 11.654 -0.608 3.335 114 3HG2 ILE 19 HG23 ILE 19 12.147 -1.582 1.951 115 1HD1 ILE 19 HD11 ILE 19 11.216 -1.211 0.138 116 2HD1 ILE 19 HD12 ILE 19 9.974 -1.937 -0.882 117 3HD1 ILE 19 HD13 ILE 19 11.365 -2.893 -0.372 118 1HN TEE 20 HN TEA 20 8.849 0.416 3.199 119 HB2 TEE 20 HB2 TEA 20 7.523 2.495 3.998 120 HA TEE 20 HA TEA 20 7.969 0.858 5.332 Start of MODEL 5 1 1H CYS 1 HT1 CYS 1 -0.801 3.097 1.094 2 2H CYS 1 HT2 CYS 1 0.218 1.853 1.628 3 3H CYS 1 HT3 CYS 1 -0.172 3.143 2.666 4 HA CYS 1 HA CYS 1 -1.592 0.733 2.113 5 1HB CYS 1 HB2 CYS 1 -0.815 2.066 4.310 6 2HB CYS 1 HB1 CYS 1 -2.450 2.701 4.173 7 1HN ABA 2 HN ABU 2 -4.837 1.832 1.136 8 HA ABA 2 HA ABU 2 -5.050 -0.284 1.873 9 2HB ABA 2 HB ABU 2 -3.637 -0.918 3.920 10 1HG ABA 2 HG21 ABU 2 -6.011 0.197 3.733 11 2HG ABA 2 HG22 ABU 2 -5.178 1.569 4.463 12 3HG ABA 2 HG23 ABU 2 -5.210 0.014 5.294 13 H PHE 3 HN PHE 3 -3.271 -2.168 2.825 14 HA PHE 3 HA PHE 3 -0.829 -2.400 1.474 15 1HB PHE 3 HB2 PHE 3 -1.409 -3.770 3.414 16 2HB PHE 3 HB1 PHE 3 -2.686 -4.559 2.497 17 HD1 PHE 3 HD1 PHE 3 0.894 -3.799 1.775 18 HD2 PHE 3 HD2 PHE 3 -2.147 -6.756 2.103 19 HE1 PHE 3 HE1 PHE 3 2.492 -5.515 1.037 20 HE2 PHE 3 HE2 PHE 3 -0.552 -8.479 1.367 21 HZ PHE 3 HZ PHE 3 1.749 -7.888 0.856 22 1HN ABA 4 HN ABU 4 -0.753 -2.142 -0.696 23 HA ABA 4 HA ABU 4 -2.126 -4.170 -2.291 24 2HB ABA 4 HB ABU 4 -0.610 -2.917 -4.111 25 1HG ABA 4 HG21 ABU 4 -0.519 -5.283 -3.616 26 2HG ABA 4 HG22 ABU 4 0.335 -4.959 -2.107 27 3HG ABA 4 HG23 ABU 4 1.115 -4.621 -3.652 28 H LEU 5 HN LEU 5 -3.067 -1.284 -1.268 29 HA LEU 5 HA LEU 5 -4.158 -0.465 -3.868 30 1HB LEU 5 HB2 LEU 5 -5.638 -0.917 -1.302 31 2HB LEU 5 HB1 LEU 5 -6.266 0.156 -2.541 32 HG LEU 5 HG LEU 5 -5.613 -2.756 -2.963 33 1HD1 LEU 5 HD11 LEU 5 -7.620 -3.266 -2.170 34 2HD1 LEU 5 HD12 LEU 5 -8.374 -2.128 -3.286 35 3HD1 LEU 5 HD13 LEU 5 -7.845 -1.582 -1.693 36 1HD2 LEU 5 HD21 LEU 5 -6.514 -2.534 -5.117 37 2HD2 LEU 5 HD22 LEU 5 -5.442 -1.146 -4.916 38 3HD2 LEU 5 HD23 LEU 5 -7.188 -0.943 -4.759 39 HA PRO 6 HA PRO 6 -2.082 3.211 -2.187 40 1HB PRO 6 HB2 PRO 6 -2.037 4.411 -4.673 41 2HB PRO 6 HB1 PRO 6 -0.769 3.359 -4.041 42 1HG PRO 6 HG2 PRO 6 -2.971 2.742 -5.944 43 2HG PRO 6 HG1 PRO 6 -1.303 2.149 -5.926 44 1HD PRO 6 HD2 PRO 6 -3.394 0.657 -5.076 45 2HD PRO 6 HD1 PRO 6 -1.773 0.512 -4.379 46 H GLY 7 HN GLY 7 -3.945 3.854 -1.026 47 1HA GLY 7 HA2 GLY 7 -6.102 5.117 -2.515 48 2HA GLY 7 HA1 GLY 7 -6.089 4.761 -0.795 49 H GLY 8 HN GLY 8 -5.185 6.238 0.652 50 1HA GLY 8 HA2 GLY 8 -4.474 8.846 -0.549 51 2HA GLY 8 HA1 GLY 8 -5.574 8.721 0.815 52 H GLY 9 HN GLY 9 -2.255 8.443 -0.240 53 1HA GLY 9 HA2 GLY 9 -0.584 9.414 1.238 54 2HA GLY 9 HA1 GLY 9 -1.458 8.709 2.590 55 H GLY 10 HN GLY 10 -0.841 6.981 -0.391 56 1HA GLY 10 HA2 GLY 10 1.546 5.702 0.333 57 2HA GLY 10 HA1 GLY 10 0.207 4.740 0.944 58 H VAL 11 HN VAL 11 2.112 3.963 -1.036 59 HA VAL 11 HA VAL 11 0.283 3.524 -3.309 60 HB VAL 11 HB VAL 11 3.295 3.601 -3.575 61 1HG1 VAL 11 HG11 VAL 11 1.307 4.002 -5.776 62 2HG1 VAL 11 HG12 VAL 11 1.724 2.377 -5.227 63 3HG1 VAL 11 HG13 VAL 11 2.980 3.441 -5.863 64 1HG2 VAL 11 HG21 VAL 11 1.705 5.823 -3.086 65 2HG2 VAL 11 HG22 VAL 11 1.922 5.813 -4.837 66 3HG2 VAL 11 HG23 VAL 11 3.330 5.818 -3.775 67 H CYS 12 HN CYS 12 0.480 1.447 -4.299 68 HA CYS 12 HA CYS 12 0.432 -0.649 -2.557 69 1HB CYS 12 HB2 CYS 12 -0.550 -0.774 -4.771 70 2HB CYS 12 HB1 CYS 12 1.051 -0.726 -5.504 71 1HN ABA 13 HN ABU 13 2.025 -1.288 -1.264 72 HA ABA 13 HA ABU 13 4.421 -2.387 -2.478 73 2HB ABA 13 HB ABU 13 3.078 -2.620 0.163 74 1HG ABA 13 HG21 ABU 13 2.987 -4.896 -0.353 75 2HG ABA 13 HG22 ABU 13 4.308 -4.778 -1.516 76 3HG ABA 13 HG23 ABU 13 2.725 -4.101 -1.906 77 H LEU 14 HN LEU 14 3.655 0.593 -1.525 78 HA LEU 14 HA LEU 14 6.461 1.163 -0.883 79 1HB LEU 14 HB2 LEU 14 4.407 3.028 -2.071 80 2HB LEU 14 HB1 LEU 14 6.128 3.321 -1.915 81 HG LEU 14 HG LEU 14 4.786 1.332 -3.757 82 1HD1 LEU 14 HD11 LEU 14 6.387 2.874 -5.287 83 2HD1 LEU 14 HD12 LEU 14 5.921 4.035 -4.042 84 3HD1 LEU 14 HD13 LEU 14 4.681 3.211 -4.989 85 1HD2 LEU 14 HD21 LEU 14 7.732 1.813 -3.291 86 2HD2 LEU 14 HD22 LEU 14 7.038 0.790 -4.548 87 3HD2 LEU 14 HD23 LEU 14 6.834 0.360 -2.851 88 1HN ABA 15 HN ABU 15 6.510 1.160 1.299 89 HA ABA 15 HA ABU 15 4.624 2.928 2.695 90 2HB ABA 15 HB ABU 15 6.585 3.497 4.235 91 1HG ABA 15 HG21 ABU 15 6.051 4.508 1.501 92 2HG ABA 15 HG22 ABU 15 7.483 5.122 2.328 93 3HG ABA 15 HG23 ABU 15 5.889 5.314 3.062 94 1HN DHA 16 HN DHA 16 4.320 2.427 4.903 95 2HB DHA 16 HB1 DHA 16 5.834 1.707 7.124 96 3HB DHA 16 HB2 DHA 16 5.219 0.069 7.778 97 H GLU 17 HN GLU 17 3.574 -0.181 3.743 98 HA GLU 17 HA GLU 17 2.142 -2.362 5.016 99 1HB GLU 17 HB2 GLU 17 1.280 -2.683 2.633 100 2HB GLU 17 HB1 GLU 17 0.807 -1.205 3.454 101 1HG GLU 17 HG2 GLU 17 2.565 0.009 2.260 102 2HG GLU 17 HG1 GLU 17 3.013 -1.477 1.425 103 H CYS 18 HN CYS 18 4.985 -1.761 3.155 104 HA CYS 18 HA CYS 18 5.449 -4.656 3.009 105 1HB CYS 18 HB2 CYS 18 5.970 -2.570 0.908 106 2HB CYS 18 HB1 CYS 18 6.824 -4.102 0.897 107 H ILE 19 HN ILE 19 7.424 -1.703 2.451 108 HA ILE 19 HA ILE 19 9.418 -2.944 4.226 109 HB ILE 19 HB ILE 19 9.949 -0.908 2.062 110 1HG1 ILE 19 HG12 ILE 19 10.404 -3.904 2.012 111 2HG1 ILE 19 HG11 ILE 19 9.122 -3.068 1.143 112 1HG2 ILE 19 HG21 ILE 19 11.585 -0.903 3.860 113 2HG2 ILE 19 HG22 ILE 19 12.290 -1.578 2.390 114 3HG2 ILE 19 HG23 ILE 19 11.790 -2.646 3.701 115 1HD1 ILE 19 HD11 ILE 19 11.478 -1.784 0.389 116 2HD1 ILE 19 HD12 ILE 19 10.509 -2.903 -0.570 117 3HD1 ILE 19 HD13 ILE 19 11.857 -3.506 0.396 118 1HN TEE 20 HN TEA 20 9.005 0.359 3.055 119 HB2 TEE 20 HB2 TEA 20 7.007 1.528 5.276 120 HA TEE 20 HA TEA 20 8.298 1.144 5.463 Start of MODEL 6 1 1H CYS 1 HT1 CYS 1 0.174 0.871 5.510 2 2H CYS 1 HT2 CYS 1 -0.110 2.299 4.646 3 3H CYS 1 HT3 CYS 1 0.695 1.002 3.901 4 HA CYS 1 HA CYS 1 -1.176 -0.137 3.489 5 1HB CYS 1 HB2 CYS 1 -1.490 0.077 6.145 6 2HB CYS 1 HB1 CYS 1 -2.802 1.138 5.632 7 1HN ABA 2 HN ABU 2 -3.480 2.100 1.887 8 HA ABA 2 HA ABU 2 -4.266 0.033 1.494 9 2HB ABA 2 HB ABU 2 -3.830 -1.652 3.494 10 1HG ABA 2 HG21 ABU 2 -5.834 -0.602 4.612 11 2HG ABA 2 HG22 ABU 2 -6.013 -0.972 2.895 12 3HG ABA 2 HG23 ABU 2 -5.718 0.688 3.416 13 H PHE 3 HN PHE 3 -3.210 -2.497 2.343 14 HA PHE 3 HA PHE 3 -0.527 -2.656 1.214 15 1HB PHE 3 HB2 PHE 3 -1.025 -4.132 3.081 16 2HB PHE 3 HB1 PHE 3 -2.427 -4.784 2.240 17 HD1 PHE 3 HD1 PHE 3 1.051 -4.170 1.034 18 HD2 PHE 3 HD2 PHE 3 -1.993 -7.023 1.894 19 HE1 PHE 3 HE1 PHE 3 2.444 -5.950 0.064 20 HE2 PHE 3 HE2 PHE 3 -0.599 -8.806 0.929 21 HZ PHE 3 HZ PHE 3 1.624 -8.269 0.014 22 1HN ABA 4 HN ABU 4 -0.795 -2.006 -0.916 23 HA ABA 4 HA ABU 4 -2.420 -3.832 -2.566 24 2HB ABA 4 HB ABU 4 -0.915 -2.623 -4.423 25 1HG ABA 4 HG21 ABU 4 0.560 -4.562 -4.348 26 2HG ABA 4 HG22 ABU 4 -1.109 -5.040 -4.038 27 3HG ABA 4 HG23 ABU 4 0.037 -4.917 -2.702 28 H LEU 5 HN LEU 5 -3.331 -1.417 -1.106 29 HA LEU 5 HA LEU 5 -4.355 0.060 -3.431 30 1HB LEU 5 HB2 LEU 5 -5.723 -0.938 -0.971 31 2HB LEU 5 HB1 LEU 5 -6.350 0.470 -1.808 32 HG LEU 5 HG LEU 5 -5.862 -2.146 -3.206 33 1HD1 LEU 5 HD11 LEU 5 -7.508 -2.254 -1.246 34 2HD1 LEU 5 HD12 LEU 5 -8.074 -2.808 -2.823 35 3HD1 LEU 5 HD13 LEU 5 -8.540 -1.214 -2.229 36 1HD2 LEU 5 HD21 LEU 5 -7.443 -1.226 -4.831 37 2HD2 LEU 5 HD22 LEU 5 -6.019 -0.200 -4.645 38 3HD2 LEU 5 HD23 LEU 5 -7.544 0.259 -3.883 39 HA PRO 6 HA PRO 6 -1.992 3.367 -1.441 40 1HB PRO 6 HB2 PRO 6 -3.223 4.739 -3.758 41 2HB PRO 6 HB1 PRO 6 -1.542 4.723 -3.223 42 1HG PRO 6 HG2 PRO 6 -2.377 3.312 -5.357 43 2HG PRO 6 HG1 PRO 6 -1.082 2.742 -4.291 44 1HD PRO 6 HD2 PRO 6 -3.883 1.793 -4.530 45 2HD PRO 6 HD1 PRO 6 -2.427 0.924 -4.020 46 H GLY 7 HN GLY 7 -3.142 3.847 0.348 47 1HA GLY 7 HA2 GLY 7 -4.871 6.054 0.385 48 2HA GLY 7 HA1 GLY 7 -5.853 4.595 0.425 49 H GLY 8 HN GLY 8 -4.102 6.807 2.267 50 1HA GLY 8 HA2 GLY 8 -4.617 6.618 4.697 51 2HA GLY 8 HA1 GLY 8 -4.119 4.941 4.561 52 H GLY 9 HN GLY 9 -2.044 6.311 2.565 53 1HA GLY 9 HA2 GLY 9 -0.111 7.758 3.178 54 2HA GLY 9 HA1 GLY 9 -0.118 6.919 4.725 55 H GLY 10 HN GLY 10 -0.479 5.653 1.428 56 1HA GLY 10 HA2 GLY 10 2.139 4.591 1.265 57 2HA GLY 10 HA1 GLY 10 1.046 3.366 1.893 58 H VAL 11 HN VAL 11 2.534 3.422 -0.582 59 HA VAL 11 HA VAL 11 0.318 3.323 -2.534 60 HB VAL 11 HB VAL 11 3.224 3.297 -3.311 61 1HG1 VAL 11 HG11 VAL 11 0.878 4.443 -4.790 62 2HG1 VAL 11 HG12 VAL 11 1.372 2.756 -4.928 63 3HG1 VAL 11 HG13 VAL 11 2.475 4.040 -5.419 64 1HG2 VAL 11 HG21 VAL 11 2.730 5.848 -3.761 65 2HG2 VAL 11 HG22 VAL 11 3.372 5.288 -2.217 66 3HG2 VAL 11 HG23 VAL 11 1.650 5.637 -2.382 67 H CYS 12 HN CYS 12 0.662 1.461 -4.151 68 HA CYS 12 HA CYS 12 0.592 -0.911 -2.725 69 1HB CYS 12 HB2 CYS 12 -0.414 -0.502 -4.978 70 2HB CYS 12 HB1 CYS 12 1.198 -0.663 -5.664 71 1HN ABA 13 HN ABU 13 2.306 -1.464 -1.512 72 HA ABA 13 HA ABU 13 4.652 -2.470 -2.919 73 2HB ABA 13 HB ABU 13 3.473 -2.882 -0.213 74 1HG ABA 13 HG21 ABU 13 2.790 -4.380 -1.954 75 2HG ABA 13 HG22 ABU 13 3.839 -5.253 -0.839 76 3HG ABA 13 HG23 ABU 13 4.467 -4.705 -2.394 77 H LEU 14 HN LEU 14 3.726 0.347 -1.470 78 HA LEU 14 HA LEU 14 6.507 1.085 -0.830 79 1HB LEU 14 HB2 LEU 14 4.470 2.897 -2.113 80 2HB LEU 14 HB1 LEU 14 6.180 3.199 -1.901 81 HG LEU 14 HG LEU 14 4.997 1.125 -3.764 82 1HD1 LEU 14 HD11 LEU 14 4.738 3.647 -4.277 83 2HD1 LEU 14 HD12 LEU 14 5.381 2.581 -5.526 84 3HD1 LEU 14 HD13 LEU 14 6.475 3.600 -4.585 85 1HD2 LEU 14 HD21 LEU 14 7.409 1.218 -4.647 86 2HD2 LEU 14 HD22 LEU 14 7.107 0.317 -3.162 87 3HD2 LEU 14 HD23 LEU 14 7.810 1.933 -3.085 88 1HN ABA 15 HN ABU 15 6.252 0.984 1.407 89 HA ABA 15 HA ABU 15 4.035 2.384 2.642 90 2HB ABA 15 HB ABU 15 5.888 3.599 4.121 91 1HG ABA 15 HG21 ABU 15 4.310 5.022 3.335 92 2HG ABA 15 HG22 ABU 15 4.384 4.374 1.696 93 3HG ABA 15 HG23 ABU 15 5.619 5.500 2.257 94 1HN DHA 16 HN DHA 16 4.223 2.305 5.026 95 2HB DHA 16 HB1 DHA 16 6.027 2.153 7.129 96 3HB DHA 16 HB2 DHA 16 5.798 0.519 8.008 97 H GLU 17 HN GLU 17 3.295 -0.293 4.540 98 HA GLU 17 HA GLU 17 2.876 -2.627 6.183 99 1HB GLU 17 HB2 GLU 17 1.021 -3.097 4.785 100 2HB GLU 17 HB1 GLU 17 1.019 -1.368 5.048 101 1HG GLU 17 HG2 GLU 17 1.949 -2.797 2.567 102 2HG GLU 17 HG1 GLU 17 0.443 -1.908 2.760 103 H CYS 18 HN CYS 18 4.917 -1.755 3.672 104 HA CYS 18 HA CYS 18 5.458 -4.585 3.082 105 1HB CYS 18 HB2 CYS 18 5.647 -2.171 1.295 106 2HB CYS 18 HB1 CYS 18 6.450 -3.686 0.905 107 H ILE 19 HN ILE 19 7.263 -1.540 2.572 108 HA ILE 19 HA ILE 19 9.444 -2.720 4.173 109 HB ILE 19 HB ILE 19 9.760 -0.682 1.958 110 1HG1 ILE 19 HG12 ILE 19 10.454 -3.628 1.966 111 2HG1 ILE 19 HG11 ILE 19 9.111 -2.906 1.087 112 1HG2 ILE 19 HG21 ILE 19 11.420 -0.612 3.829 113 2HG2 ILE 19 HG22 ILE 19 12.117 -0.950 2.245 114 3HG2 ILE 19 HG23 ILE 19 11.883 -2.260 3.403 115 1HD1 ILE 19 HD11 ILE 19 10.882 -1.485 -0.084 116 2HD1 ILE 19 HD12 ILE 19 10.782 -3.195 -0.508 117 3HD1 ILE 19 HD13 ILE 19 12.049 -2.628 0.578 118 1HN TEE 20 HN TEA 20 9.010 0.528 2.954 119 HB2 TEE 20 HB2 TEA 20 7.546 2.797 3.440 120 HA TEE 20 HA TEA 20 8.017 1.118 5.074 Start of MODEL 7 1 1H CYS 1 HT1 CYS 1 0.162 2.698 2.250 2 2H CYS 1 HT2 CYS 1 0.659 1.091 2.015 3 3H CYS 1 HT3 CYS 1 0.690 1.775 3.568 4 HA CYS 1 HA CYS 1 -1.265 0.230 2.667 5 1HB CYS 1 HB2 CYS 1 -0.966 0.850 4.972 6 2HB CYS 1 HB1 CYS 1 -1.400 2.521 4.629 7 1HN ABA 2 HN ABU 2 -3.923 1.816 0.997 8 HA ABA 2 HA ABU 2 -4.580 -0.255 1.610 9 2HB ABA 2 HB ABU 2 -3.395 -1.244 3.732 10 1HG ABA 2 HG21 ABU 2 -5.109 -0.386 5.018 11 2HG ABA 2 HG22 ABU 2 -5.732 -0.157 3.383 12 3HG ABA 2 HG23 ABU 2 -5.028 1.203 4.257 13 H PHE 3 HN PHE 3 -3.338 -2.505 2.421 14 HA PHE 3 HA PHE 3 -0.780 -2.907 1.212 15 1HB PHE 3 HB2 PHE 3 -1.576 -4.315 3.063 16 2HB PHE 3 HB1 PHE 3 -2.882 -4.919 2.048 17 HD1 PHE 3 HD1 PHE 3 0.796 -4.464 1.601 18 HD2 PHE 3 HD2 PHE 3 -2.548 -7.088 1.409 19 HE1 PHE 3 HE1 PHE 3 2.264 -6.272 0.807 20 HE2 PHE 3 HE2 PHE 3 -1.088 -8.897 0.615 21 HZ PHE 3 HZ PHE 3 1.315 -8.473 0.264 22 1HN ABA 4 HN ABU 4 -1.007 -2.126 -0.910 23 HA ABA 4 HA ABU 4 -2.450 -3.978 -2.690 24 2HB ABA 4 HB ABU 4 -0.850 -2.817 -4.437 25 1HG ABA 4 HG21 ABU 4 -0.647 -5.119 -4.194 26 2HG ABA 4 HG22 ABU 4 -0.206 -5.003 -2.490 27 3HG ABA 4 HG23 ABU 4 0.951 -4.534 -3.736 28 H LEU 5 HN LEU 5 -3.413 -1.467 -1.280 29 HA LEU 5 HA LEU 5 -4.315 -0.066 -3.703 30 1HB LEU 5 HB2 LEU 5 -5.825 -0.723 -1.187 31 2HB LEU 5 HB1 LEU 5 -6.403 0.426 -2.382 32 HG LEU 5 HG LEU 5 -5.793 -2.467 -2.950 33 1HD1 LEU 5 HD11 LEU 5 -8.353 -1.039 -2.298 34 2HD1 LEU 5 HD12 LEU 5 -7.689 -2.501 -1.567 35 3HD1 LEU 5 HD13 LEU 5 -8.331 -2.549 -3.210 36 1HD2 LEU 5 HD21 LEU 5 -7.408 -0.660 -4.687 37 2HD2 LEU 5 HD22 LEU 5 -6.501 -2.113 -5.108 38 3HD2 LEU 5 HD23 LEU 5 -5.646 -0.608 -4.762 39 HA PRO 6 HA PRO 6 -1.980 3.158 -1.497 40 1HB PRO 6 HB2 PRO 6 -1.842 4.687 -3.790 41 2HB PRO 6 HB1 PRO 6 -0.658 3.463 -3.327 42 1HG PRO 6 HG2 PRO 6 -2.915 3.279 -5.265 43 2HG PRO 6 HG1 PRO 6 -1.288 2.587 -5.368 44 1HD PRO 6 HD2 PRO 6 -3.451 1.111 -4.706 45 2HD PRO 6 HD1 PRO 6 -1.842 0.785 -4.042 46 H GLY 7 HN GLY 7 -3.804 3.771 -0.249 47 1HA GLY 7 HA2 GLY 7 -5.402 5.917 -1.485 48 2HA GLY 7 HA1 GLY 7 -6.160 4.668 -0.511 49 H GLY 8 HN GLY 8 -4.049 7.459 -0.474 50 1HA GLY 8 HA2 GLY 8 -3.621 8.992 1.173 51 2HA GLY 8 HA1 GLY 8 -5.041 8.365 1.992 52 H GLY 9 HN GLY 9 -2.072 6.594 1.224 53 1HA GLY 9 HA2 GLY 9 -0.935 6.863 3.809 54 2HA GLY 9 HA1 GLY 9 -1.864 5.375 3.717 55 H GLY 10 HN GLY 10 -0.299 6.544 0.845 56 1HA GLY 10 HA2 GLY 10 2.109 5.994 0.464 57 2HA GLY 10 HA1 GLY 10 1.739 4.437 1.195 58 H VAL 11 HN VAL 11 2.587 3.585 -0.840 59 HA VAL 11 HA VAL 11 0.463 3.543 -2.877 60 HB VAL 11 HB VAL 11 3.390 3.224 -3.568 61 1HG1 VAL 11 HG11 VAL 11 2.120 2.384 -5.321 62 2HG1 VAL 11 HG12 VAL 11 2.435 4.047 -5.817 63 3HG1 VAL 11 HG13 VAL 11 0.869 3.613 -5.134 64 1HG2 VAL 11 HG21 VAL 11 3.196 5.599 -4.458 65 2HG2 VAL 11 HG22 VAL 11 3.351 5.413 -2.711 66 3HG2 VAL 11 HG23 VAL 11 1.774 5.753 -3.425 67 H CYS 12 HN CYS 12 0.804 1.476 -4.326 68 HA CYS 12 HA CYS 12 0.435 -0.750 -2.682 69 1HB CYS 12 HB2 CYS 12 -0.495 -0.604 -4.935 70 2HB CYS 12 HB1 CYS 12 1.127 -0.661 -5.615 71 1HN ABA 13 HN ABU 13 2.126 -1.165 -1.311 72 HA ABA 13 HA ABU 13 4.393 -2.553 -2.496 73 2HB ABA 13 HB ABU 13 4.929 -3.002 -0.041 74 1HG ABA 13 HG21 ABU 13 2.492 -4.381 -0.149 75 2HG ABA 13 HG22 ABU 13 4.077 -4.949 -0.674 76 3HG ABA 13 HG23 ABU 13 3.000 -4.154 -1.822 77 H LEU 14 HN LEU 14 3.639 0.515 -1.325 78 HA LEU 14 HA LEU 14 6.481 1.116 -0.843 79 1HB LEU 14 HB2 LEU 14 4.500 2.974 -2.165 80 2HB LEU 14 HB1 LEU 14 6.221 3.235 -1.962 81 HG LEU 14 HG LEU 14 4.933 1.177 -3.774 82 1HD1 LEU 14 HD11 LEU 14 6.716 3.309 -4.786 83 2HD1 LEU 14 HD12 LEU 14 5.106 3.800 -4.258 84 3HD1 LEU 14 HD13 LEU 14 5.287 2.575 -5.514 85 1HD2 LEU 14 HD21 LEU 14 6.979 0.306 -4.251 86 2HD2 LEU 14 HD22 LEU 14 7.286 0.781 -2.581 87 3HD2 LEU 14 HD23 LEU 14 7.830 1.812 -3.906 88 1HN ABA 15 HN ABU 15 6.243 1.020 1.385 89 HA ABA 15 HA ABU 15 4.170 2.571 2.686 90 2HB ABA 15 HB ABU 15 6.164 3.578 4.149 91 1HG ABA 15 HG21 ABU 15 5.122 4.736 1.570 92 2HG ABA 15 HG22 ABU 15 5.887 5.657 2.867 93 3HG ABA 15 HG23 ABU 15 4.351 4.837 3.153 94 1HN DHA 16 HN DHA 16 4.235 2.316 5.013 95 2HB DHA 16 HB1 DHA 16 6.087 2.082 7.080 96 3HB DHA 16 HB2 DHA 16 5.785 0.461 7.965 97 H GLU 17 HN GLU 17 3.399 -0.359 4.372 98 HA GLU 17 HA GLU 17 2.734 -2.587 6.103 99 1HB GLU 17 HB2 GLU 17 0.996 -3.069 4.595 100 2HB GLU 17 HB1 GLU 17 1.064 -1.321 4.642 101 1HG GLU 17 HG2 GLU 17 2.500 -2.847 2.508 102 2HG GLU 17 HG1 GLU 17 0.775 -2.523 2.379 103 H CYS 18 HN CYS 18 5.001 -1.838 3.752 104 HA CYS 18 HA CYS 18 5.589 -4.689 3.318 105 1HB CYS 18 HB2 CYS 18 5.800 -2.396 1.370 106 2HB CYS 18 HB1 CYS 18 6.469 -3.993 1.072 107 H ILE 19 HN ILE 19 7.283 -1.628 2.582 108 HA ILE 19 HA ILE 19 9.638 -2.777 3.922 109 HB ILE 19 HB ILE 19 9.589 -0.643 1.779 110 1HG1 ILE 19 HG12 ILE 19 8.911 -2.824 0.889 111 2HG1 ILE 19 HG11 ILE 19 10.514 -2.386 0.305 112 1HG2 ILE 19 HG21 ILE 19 11.741 -0.282 2.200 113 2HG2 ILE 19 HG22 ILE 19 12.099 -2.006 2.144 114 3HG2 ILE 19 HG23 ILE 19 11.567 -1.266 3.653 115 1HD1 ILE 19 HD11 ILE 19 11.145 -4.413 0.943 116 2HD1 ILE 19 HD12 ILE 19 9.663 -4.667 1.866 117 3HD1 ILE 19 HD13 ILE 19 11.026 -3.822 2.600 118 1HN TEE 20 HN TEA 20 8.956 0.535 2.986 119 HB2 TEE 20 HB2 TEA 20 8.546 3.537 4.224 120 HA TEE 20 HA TEA 20 8.428 1.847 5.529 Start of MODEL 8 1 1H CYS 1 HT1 CYS 1 1.126 1.294 1.816 2 2H CYS 1 HT2 CYS 1 0.972 2.586 2.905 3 3H CYS 1 HT3 CYS 1 0.333 2.715 1.342 4 HA CYS 1 HA CYS 1 -0.787 0.455 2.407 5 1HB CYS 1 HB2 CYS 1 -0.125 1.215 4.617 6 2HB CYS 1 HB1 CYS 1 -0.822 2.802 4.312 7 1HN ABA 2 HN ABU 2 -3.784 1.789 1.153 8 HA ABA 2 HA ABU 2 -4.158 -0.322 1.894 9 2HB ABA 2 HB ABU 2 -2.480 -1.131 3.792 10 1HG ABA 2 HG21 ABU 2 -3.941 0.242 5.422 11 2HG ABA 2 HG22 ABU 2 -4.734 -0.905 4.342 12 3HG ABA 2 HG23 ABU 2 -4.751 0.817 3.965 13 H PHE 3 HN PHE 3 -2.763 -2.497 2.401 14 HA PHE 3 HA PHE 3 -0.349 -2.764 0.885 15 1HB PHE 3 HB2 PHE 3 -0.728 -4.265 2.736 16 2HB PHE 3 HB1 PHE 3 -2.244 -4.817 2.037 17 HD1 PHE 3 HD1 PHE 3 1.224 -4.432 0.698 18 HD2 PHE 3 HD2 PHE 3 -2.109 -6.994 1.355 19 HE1 PHE 3 HE1 PHE 3 2.397 -6.252 -0.473 20 HE2 PHE 3 HE2 PHE 3 -0.942 -8.815 0.186 21 HZ PHE 3 HZ PHE 3 1.310 -8.446 -0.729 22 1HN ABA 4 HN ABU 4 -0.876 -1.956 -1.168 23 HA ABA 4 HA ABU 4 -2.475 -3.825 -2.791 24 2HB ABA 4 HB ABU 4 -1.015 -2.470 -4.636 25 1HG ABA 4 HG21 ABU 4 0.582 -4.492 -4.427 26 2HG ABA 4 HG22 ABU 4 -1.123 -4.794 -4.765 27 3HG ABA 4 HG23 ABU 4 -0.497 -5.012 -3.130 28 H LEU 5 HN LEU 5 -3.379 -1.431 -1.278 29 HA LEU 5 HA LEU 5 -4.528 0.025 -3.559 30 1HB LEU 5 HB2 LEU 5 -5.801 -0.735 -0.937 31 2HB LEU 5 HB1 LEU 5 -6.540 0.332 -2.118 32 HG LEU 5 HG LEU 5 -5.724 -2.500 -2.727 33 1HD1 LEU 5 HD11 LEU 5 -7.764 -3.279 -2.082 34 2HD1 LEU 5 HD12 LEU 5 -8.583 -1.759 -2.445 35 3HD1 LEU 5 HD13 LEU 5 -7.653 -1.928 -0.953 36 1HD2 LEU 5 HD21 LEU 5 -6.097 -0.583 -4.505 37 2HD2 LEU 5 HD22 LEU 5 -7.795 -0.977 -4.224 38 3HD2 LEU 5 HD23 LEU 5 -6.681 -2.225 -4.783 39 HA PRO 6 HA PRO 6 -2.200 3.254 -1.289 40 1HB PRO 6 HB2 PRO 6 -2.344 4.443 -3.980 41 2HB PRO 6 HB1 PRO 6 -0.939 4.176 -2.947 42 1HG PRO 6 HG2 PRO 6 -1.346 2.696 -5.132 43 2HG PRO 6 HG1 PRO 6 -0.667 1.991 -3.653 44 1HD PRO 6 HD2 PRO 6 -3.453 1.838 -4.702 45 2HD PRO 6 HD1 PRO 6 -2.478 0.559 -3.968 46 H GLY 7 HN GLY 7 -2.707 5.529 -1.027 47 1HA GLY 7 HA2 GLY 7 -4.321 7.325 -1.662 48 2HA GLY 7 HA1 GLY 7 -5.554 6.074 -1.558 49 H GLY 8 HN GLY 8 -3.374 8.123 0.224 50 1HA GLY 8 HA2 GLY 8 -4.369 9.041 2.306 51 2HA GLY 8 HA1 GLY 8 -4.826 7.389 2.694 52 H GLY 9 HN GLY 9 -1.796 7.626 1.175 53 1HA GLY 9 HA2 GLY 9 0.267 8.256 2.357 54 2HA GLY 9 HA1 GLY 9 -0.452 7.570 3.806 55 H GLY 10 HN GLY 10 1.011 6.856 0.707 56 1HA GLY 10 HA2 GLY 10 2.644 4.977 0.825 57 2HA GLY 10 HA1 GLY 10 1.352 4.068 1.604 58 H VAL 11 HN VAL 11 2.785 3.438 -0.827 59 HA VAL 11 HA VAL 11 0.539 3.532 -2.736 60 HB VAL 11 HB VAL 11 3.374 2.983 -3.584 61 1HG1 VAL 11 HG11 VAL 11 2.037 4.498 -5.497 62 2HG1 VAL 11 HG12 VAL 11 0.821 3.380 -4.878 63 3HG1 VAL 11 HG13 VAL 11 2.333 2.759 -5.540 64 1HG2 VAL 11 HG21 VAL 11 2.394 5.756 -3.877 65 2HG2 VAL 11 HG22 VAL 11 4.028 5.152 -3.602 66 3HG2 VAL 11 HG23 VAL 11 2.891 5.264 -2.259 67 H CYS 12 HN CYS 12 1.115 1.506 -4.405 68 HA CYS 12 HA CYS 12 0.400 -0.746 -2.868 69 1HB CYS 12 HB2 CYS 12 -0.381 -0.386 -5.159 70 2HB CYS 12 HB1 CYS 12 1.265 -0.573 -5.749 71 1HN ABA 13 HN ABU 13 2.062 -1.311 -1.417 72 HA ABA 13 HA ABU 13 4.362 -2.629 -2.653 73 2HB ABA 13 HB ABU 13 2.833 -3.179 -0.338 74 1HG ABA 13 HG21 ABU 13 5.027 -4.910 -0.397 75 2HG ABA 13 HG22 ABU 13 4.758 -4.435 -2.074 76 3HG ABA 13 HG23 ABU 13 3.448 -5.160 -1.141 77 H LEU 14 HN LEU 14 3.538 0.314 -1.311 78 HA LEU 14 HA LEU 14 6.345 0.937 -0.704 79 1HB LEU 14 HB2 LEU 14 4.372 2.745 -2.101 80 2HB LEU 14 HB1 LEU 14 6.045 3.119 -1.740 81 HG LEU 14 HG LEU 14 5.074 1.024 -3.695 82 1HD1 LEU 14 HD11 LEU 14 6.674 3.499 -4.276 83 2HD1 LEU 14 HD12 LEU 14 4.911 3.493 -4.296 84 3HD1 LEU 14 HD13 LEU 14 5.808 2.453 -5.400 85 1HD2 LEU 14 HD21 LEU 14 7.079 0.199 -2.753 86 2HD2 LEU 14 HD22 LEU 14 7.832 1.792 -2.761 87 3HD2 LEU 14 HD23 LEU 14 7.533 0.950 -4.282 88 1HN ABA 15 HN ABU 15 6.216 0.967 1.480 89 HA ABA 15 HA ABU 15 4.079 2.432 2.807 90 2HB ABA 15 HB ABU 15 6.097 3.600 4.123 91 1HG ABA 15 HG21 ABU 15 4.446 5.016 3.433 92 2HG ABA 15 HG22 ABU 15 4.459 4.399 1.780 93 3HG ABA 15 HG23 ABU 15 5.723 5.507 2.319 94 1HN DHA 16 HN DHA 16 4.375 2.354 5.186 95 2HB DHA 16 HB1 DHA 16 6.166 2.262 7.235 96 3HB DHA 16 HB2 DHA 16 6.028 0.625 8.130 97 H GLU 17 HN GLU 17 3.416 -0.302 4.797 98 HA GLU 17 HA GLU 17 3.144 -2.628 6.459 99 1HB GLU 17 HB2 GLU 17 1.262 -3.168 5.086 100 2HB GLU 17 HB1 GLU 17 1.217 -1.442 5.381 101 1HG GLU 17 HG2 GLU 17 2.397 -2.596 2.880 102 2HG GLU 17 HG1 GLU 17 0.675 -2.265 3.032 103 H CYS 18 HN CYS 18 5.094 -1.771 3.864 104 HA CYS 18 HA CYS 18 5.591 -4.603 3.261 105 1HB CYS 18 HB2 CYS 18 5.728 -2.252 1.372 106 2HB CYS 18 HB1 CYS 18 6.253 -3.881 0.977 107 H ILE 19 HN ILE 19 7.236 -1.463 2.702 108 HA ILE 19 HA ILE 19 9.598 -2.654 3.986 109 HB ILE 19 HB ILE 19 9.628 -0.645 1.723 110 1HG1 ILE 19 HG12 ILE 19 11.107 -2.606 0.757 111 2HG1 ILE 19 HG11 ILE 19 10.196 -3.584 1.900 112 1HG2 ILE 19 HG21 ILE 19 11.954 -1.890 3.189 113 2HG2 ILE 19 HG22 ILE 19 11.384 -0.235 3.408 114 3HG2 ILE 19 HG23 ILE 19 12.048 -0.741 1.854 115 1HD1 ILE 19 HD11 ILE 19 8.112 -2.695 0.817 116 2HD1 ILE 19 HD12 ILE 19 9.109 -3.760 -0.177 117 3HD1 ILE 19 HD13 ILE 19 9.155 -2.016 -0.433 118 1HN TEE 20 HN TEA 20 9.123 0.658 2.945 119 HB2 TEE 20 HB2 TEA 20 8.572 3.737 4.406 120 HA TEE 20 HA TEA 20 8.531 1.442 5.590 Start of MODEL 9 1 1H CYS 1 HT1 CYS 1 1.795 1.227 2.167 2 2H CYS 1 HT2 CYS 1 1.314 2.844 2.365 3 3H CYS 1 HT3 CYS 1 1.083 2.067 0.878 4 HA CYS 1 HA CYS 1 -0.388 0.451 2.058 5 1HB CYS 1 HB2 CYS 1 0.649 1.533 4.284 6 2HB CYS 1 HB1 CYS 1 -0.788 2.538 4.136 7 1HN ABA 2 HN ABU 2 -3.267 2.300 1.081 8 HA ABA 2 HA ABU 2 -3.961 0.248 1.729 9 2HB ABA 2 HB ABU 2 -2.585 -0.722 3.754 10 1HG ABA 2 HG21 ABU 2 -4.781 -0.038 4.128 11 2HG ABA 2 HG22 ABU 2 -4.424 1.639 3.721 12 3HG ABA 2 HG23 ABU 2 -3.838 0.958 5.237 13 H PHE 3 HN PHE 3 -2.621 -2.036 2.631 14 HA PHE 3 HA PHE 3 -0.321 -2.653 1.095 15 1HB PHE 3 HB2 PHE 3 -0.871 -3.939 3.090 16 2HB PHE 3 HB1 PHE 3 -2.368 -4.496 2.348 17 HD1 PHE 3 HD1 PHE 3 1.088 -4.261 0.983 18 HD2 PHE 3 HD2 PHE 3 -2.168 -6.781 2.059 19 HE1 PHE 3 HE1 PHE 3 2.291 -6.203 0.072 20 HE2 PHE 3 HE2 PHE 3 -0.970 -8.724 1.147 21 HZ PHE 3 HZ PHE 3 1.225 -8.417 0.070 22 1HN ABA 4 HN ABU 4 -0.763 -1.988 -1.012 23 HA ABA 4 HA ABU 4 -2.408 -3.893 -2.519 24 2HB ABA 4 HB ABU 4 -0.979 -2.725 -4.459 25 1HG ABA 4 HG21 ABU 4 -0.509 -4.904 -4.575 26 2HG ABA 4 HG22 ABU 4 -0.721 -5.113 -2.836 27 3HG ABA 4 HG23 ABU 4 0.834 -4.582 -3.479 28 H LEU 5 HN LEU 5 -3.122 -1.212 -1.148 29 HA LEU 5 HA LEU 5 -4.395 -0.030 -3.520 30 1HB LEU 5 HB2 LEU 5 -5.554 -0.693 -0.839 31 2HB LEU 5 HB1 LEU 5 -6.303 0.496 -1.893 32 HG LEU 5 HG LEU 5 -5.737 -2.343 -2.715 33 1HD1 LEU 5 HD11 LEU 5 -8.381 -1.176 -1.857 34 2HD1 LEU 5 HD12 LEU 5 -7.352 -2.151 -0.809 35 3HD1 LEU 5 HD13 LEU 5 -8.032 -2.854 -2.277 36 1HD2 LEU 5 HD21 LEU 5 -5.960 -0.496 -4.445 37 2HD2 LEU 5 HD22 LEU 5 -7.653 -0.390 -3.946 38 3HD2 LEU 5 HD23 LEU 5 -7.025 -1.894 -4.619 39 HA PRO 6 HA PRO 6 -2.296 3.574 -1.669 40 1HB PRO 6 HB2 PRO 6 -1.880 4.741 -4.088 41 2HB PRO 6 HB1 PRO 6 -0.773 3.559 -3.383 42 1HG PRO 6 HG2 PRO 6 -2.794 3.214 -5.531 43 2HG PRO 6 HG1 PRO 6 -1.212 2.447 -5.341 44 1HD PRO 6 HD2 PRO 6 -3.633 1.252 -4.740 45 2HD PRO 6 HD1 PRO 6 -2.069 0.760 -4.084 46 H GLY 7 HN GLY 7 -4.329 4.205 -0.770 47 1HA GLY 7 HA2 GLY 7 -6.000 5.805 -2.616 48 2HA GLY 7 HA1 GLY 7 -6.660 4.838 -1.309 49 H GLY 8 HN GLY 8 -3.789 6.857 -1.029 50 1HA GLY 8 HA2 GLY 8 -4.071 9.212 -0.298 51 2HA GLY 8 HA1 GLY 8 -5.353 8.626 0.752 52 H GLY 9 HN GLY 9 -1.980 7.722 0.062 53 1HA GLY 9 HA2 GLY 9 -0.947 8.452 2.567 54 2HA GLY 9 HA1 GLY 9 -1.443 6.766 2.654 55 H GLY 10 HN GLY 10 -0.427 5.233 1.325 56 1HA GLY 10 HA2 GLY 10 2.123 6.152 0.160 57 2HA GLY 10 HA1 GLY 10 1.927 4.580 0.928 58 H VAL 11 HN VAL 11 2.631 3.608 -1.060 59 HA VAL 11 HA VAL 11 0.450 3.515 -3.041 60 HB VAL 11 HB VAL 11 3.331 3.098 -3.827 61 1HG1 VAL 11 HG11 VAL 11 1.826 4.279 -5.883 62 2HG1 VAL 11 HG12 VAL 11 0.808 3.021 -5.180 63 3HG1 VAL 11 HG13 VAL 11 2.413 2.617 -5.789 64 1HG2 VAL 11 HG21 VAL 11 3.769 5.303 -4.139 65 2HG2 VAL 11 HG22 VAL 11 2.679 5.442 -2.762 66 3HG2 VAL 11 HG23 VAL 11 2.075 5.722 -4.395 67 H CYS 12 HN CYS 12 0.860 1.420 -4.483 68 HA CYS 12 HA CYS 12 0.465 -0.791 -2.793 69 1HB CYS 12 HB2 CYS 12 -0.452 -0.604 -5.078 70 2HB CYS 12 HB1 CYS 12 1.177 -0.757 -5.723 71 1HN ABA 13 HN ABU 13 2.123 -1.433 -1.473 72 HA ABA 13 HA ABU 13 4.484 -2.522 -2.789 73 2HB ABA 13 HB ABU 13 4.898 -3.065 -0.179 74 1HG ABA 13 HG21 ABU 13 5.034 -4.862 -1.577 75 2HG ABA 13 HG22 ABU 13 3.506 -4.495 -2.376 76 3HG ABA 13 HG23 ABU 13 3.507 -5.224 -0.770 77 H LEU 14 HN LEU 14 3.534 0.333 -1.420 78 HA LEU 14 HA LEU 14 6.313 1.048 -0.778 79 1HB LEU 14 HB2 LEU 14 4.267 2.829 -2.105 80 2HB LEU 14 HB1 LEU 14 5.949 3.212 -1.800 81 HG LEU 14 HG LEU 14 4.891 1.175 -3.774 82 1HD1 LEU 14 HD11 LEU 14 6.536 3.647 -4.274 83 2HD1 LEU 14 HD12 LEU 14 4.775 3.620 -4.358 84 3HD1 LEU 14 HD13 LEU 14 5.725 2.620 -5.456 85 1HD2 LEU 14 HD21 LEU 14 7.103 0.580 -4.303 86 2HD2 LEU 14 HD22 LEU 14 7.042 0.553 -2.540 87 3HD2 LEU 14 HD23 LEU 14 7.779 1.921 -3.376 88 1HN ABA 15 HN ABU 15 6.259 1.083 1.387 89 HA ABA 15 HA ABU 15 4.068 2.436 2.762 90 2HB ABA 15 HB ABU 15 6.525 3.203 4.038 91 1HG ABA 15 HG21 ABU 15 7.785 4.154 2.458 92 2HG ABA 15 HG22 ABU 15 6.387 4.748 1.564 93 3HG ABA 15 HG23 ABU 15 6.928 3.084 1.352 94 1HN DHA 16 HN DHA 16 4.557 2.326 5.170 95 2HB DHA 16 HB1 DHA 16 6.354 1.983 7.119 96 3HB DHA 16 HB2 DHA 16 6.117 0.337 7.977 97 H GLU 17 HN GLU 17 3.489 -0.396 4.549 98 HA GLU 17 HA GLU 17 2.996 -2.701 6.225 99 1HB GLU 17 HB2 GLU 17 1.150 -3.132 4.839 100 2HB GLU 17 HB1 GLU 17 1.228 -1.384 4.914 101 1HG GLU 17 HG2 GLU 17 2.423 -2.959 2.656 102 2HG GLU 17 HG1 GLU 17 0.746 -2.429 2.660 103 H CYS 18 HN CYS 18 5.040 -1.836 3.692 104 HA CYS 18 HA CYS 18 5.617 -4.660 3.122 105 1HB CYS 18 HB2 CYS 18 5.738 -2.273 1.281 106 2HB CYS 18 HB1 CYS 18 6.394 -3.852 0.873 107 H ILE 19 HN ILE 19 7.189 -1.459 2.770 108 HA ILE 19 HA ILE 19 9.568 -2.652 4.037 109 HB ILE 19 HB ILE 19 9.599 -0.508 1.903 110 1HG1 ILE 19 HG12 ILE 19 10.393 -3.431 1.781 111 2HG1 ILE 19 HG11 ILE 19 9.008 -2.701 0.975 112 1HG2 ILE 19 HG21 ILE 19 11.394 -0.443 3.679 113 2HG2 ILE 19 HG22 ILE 19 11.966 -0.591 2.016 114 3HG2 ILE 19 HG23 ILE 19 11.936 -2.007 3.068 115 1HD1 ILE 19 HD11 ILE 19 10.685 -2.984 -0.653 116 2HD1 ILE 19 HD12 ILE 19 11.920 -2.279 0.392 117 3HD1 ILE 19 HD13 ILE 19 10.641 -1.263 -0.276 118 1HN TEE 20 HN TEA 20 8.931 0.690 3.122 119 HB2 TEE 20 HB2 TEA 20 7.143 2.536 4.421 120 HA TEE 20 HA TEA 20 8.122 1.316 5.431 Start of MODEL 10 1 1H CYS 1 HT1 CYS 1 1.605 1.129 2.079 2 2H CYS 1 HT2 CYS 1 1.203 2.736 2.444 3 3H CYS 1 HT3 CYS 1 0.732 2.058 0.966 4 HA CYS 1 HA CYS 1 -0.460 0.334 2.450 5 1HB CYS 1 HB2 CYS 1 0.409 1.136 4.551 6 2HB CYS 1 HB1 CYS 1 -0.167 2.766 4.220 7 1HN ABA 2 HN ABU 2 -3.503 1.745 1.402 8 HA ABA 2 HA ABU 2 -3.906 -0.286 2.312 9 2HB ABA 2 HB ABU 2 -2.110 -1.050 4.121 10 1HG ABA 2 HG21 ABU 2 -4.033 -0.757 5.209 11 2HG ABA 2 HG22 ABU 2 -4.513 0.574 4.157 12 3HG ABA 2 HG23 ABU 2 -3.475 0.880 5.547 13 H PHE 3 HN PHE 3 -2.818 -2.548 2.654 14 HA PHE 3 HA PHE 3 -0.409 -3.042 1.196 15 1HB PHE 3 HB2 PHE 3 -1.116 -4.475 3.055 16 2HB PHE 3 HB1 PHE 3 -2.544 -4.959 2.149 17 HD1 PHE 3 HD1 PHE 3 0.984 -4.613 1.018 18 HD2 PHE 3 HD2 PHE 3 -2.294 -7.225 1.754 19 HE1 PHE 3 HE1 PHE 3 2.256 -6.482 0.043 20 HE2 PHE 3 HE2 PHE 3 -1.031 -9.094 0.776 21 HZ PHE 3 HZ PHE 3 1.227 -8.697 -0.153 22 1HN ABA 4 HN ABU 4 -0.850 -2.082 -0.839 23 HA ABA 4 HA ABU 4 -2.482 -3.819 -2.573 24 2HB ABA 4 HB ABU 4 -0.914 -2.716 -4.389 25 1HG ABA 4 HG21 ABU 4 0.456 -4.776 -2.730 26 2HG ABA 4 HG22 ABU 4 0.219 -4.704 -4.477 27 3HG ABA 4 HG23 ABU 4 -1.120 -5.160 -3.426 28 H LEU 5 HN LEU 5 -3.266 -1.343 -1.070 29 HA LEU 5 HA LEU 5 -4.334 0.078 -3.409 30 1HB LEU 5 HB2 LEU 5 -5.537 -0.574 -0.739 31 2HB LEU 5 HB1 LEU 5 -6.202 0.688 -1.762 32 HG LEU 5 HG LEU 5 -5.795 -2.083 -2.819 33 1HD1 LEU 5 HD11 LEU 5 -7.461 -1.457 -0.651 34 2HD1 LEU 5 HD12 LEU 5 -7.473 -2.926 -1.626 35 3HD1 LEU 5 HD13 LEU 5 -8.515 -1.571 -2.062 36 1HD2 LEU 5 HD21 LEU 5 -8.106 -0.544 -3.661 37 2HD2 LEU 5 HD22 LEU 5 -6.847 -1.323 -4.624 38 3HD2 LEU 5 HD23 LEU 5 -6.582 0.292 -3.962 39 HA PRO 6 HA PRO 6 -1.763 3.446 -1.797 40 1HB PRO 6 HB2 PRO 6 -3.024 4.747 -4.127 41 2HB PRO 6 HB1 PRO 6 -1.317 4.608 -3.704 42 1HG PRO 6 HG2 PRO 6 -2.462 3.175 -5.699 43 2HG PRO 6 HG1 PRO 6 -1.096 2.580 -4.743 44 1HD PRO 6 HD2 PRO 6 -3.951 1.779 -4.644 45 2HD PRO 6 HD1 PRO 6 -2.497 0.857 -4.246 46 H GLY 7 HN GLY 7 -2.965 3.929 0.027 47 1HA GLY 7 HA2 GLY 7 -4.663 6.207 -0.097 48 2HA GLY 7 HA1 GLY 7 -5.603 4.738 0.141 49 H GLY 8 HN GLY 8 -3.719 7.134 1.615 50 1HA GLY 8 HA2 GLY 8 -4.142 7.182 4.112 51 2HA GLY 8 HA1 GLY 8 -3.524 5.537 4.091 52 H GLY 9 HN GLY 9 -1.794 7.068 1.793 53 1HA GLY 9 HA2 GLY 9 0.029 8.673 2.128 54 2HA GLY 9 HA1 GLY 9 0.228 7.998 3.740 55 H GLY 10 HN GLY 10 -0.266 6.282 0.683 56 1HA GLY 10 HA2 GLY 10 2.450 5.526 0.353 57 2HA GLY 10 HA1 GLY 10 1.574 4.289 1.242 58 H VAL 11 HN VAL 11 2.688 3.675 -1.147 59 HA VAL 11 HA VAL 11 0.356 3.466 -2.946 60 HB VAL 11 HB VAL 11 3.210 3.191 -3.881 61 1HG1 VAL 11 HG11 VAL 11 2.077 2.532 -5.698 62 2HG1 VAL 11 HG12 VAL 11 1.749 4.250 -5.924 63 3HG1 VAL 11 HG13 VAL 11 0.561 3.223 -5.119 64 1HG2 VAL 11 HG21 VAL 11 1.800 5.643 -3.141 65 2HG2 VAL 11 HG22 VAL 11 2.471 5.656 -4.773 66 3HG2 VAL 11 HG23 VAL 11 3.522 5.351 -3.387 67 H CYS 12 HN CYS 12 0.845 1.397 -4.451 68 HA CYS 12 HA CYS 12 0.556 -0.809 -2.748 69 1HB CYS 12 HB2 CYS 12 -0.398 -0.627 -5.028 70 2HB CYS 12 HB1 CYS 12 1.225 -0.796 -5.686 71 1HN ABA 13 HN ABU 13 2.208 -1.449 -1.468 72 HA ABA 13 HA ABU 13 4.588 -2.480 -2.795 73 2HB ABA 13 HB ABU 13 5.094 -3.522 -0.628 74 1HG ABA 13 HG21 ABU 13 2.858 -4.901 -0.564 75 2HG ABA 13 HG22 ABU 13 3.941 -4.992 -1.954 76 3HG ABA 13 HG23 ABU 13 2.502 -3.973 -2.024 77 H LEU 14 HN LEU 14 3.654 0.363 -1.540 78 HA LEU 14 HA LEU 14 6.408 1.075 -0.788 79 1HB LEU 14 HB2 LEU 14 4.375 2.873 -2.106 80 2HB LEU 14 HB1 LEU 14 6.076 3.204 -1.851 81 HG LEU 14 HG LEU 14 4.940 1.137 -3.751 82 1HD1 LEU 14 HD11 LEU 14 5.797 2.597 -5.496 83 2HD1 LEU 14 HD12 LEU 14 6.352 3.752 -4.285 84 3HD1 LEU 14 HD13 LEU 14 4.626 3.454 -4.491 85 1HD2 LEU 14 HD21 LEU 14 7.194 0.728 -4.448 86 2HD2 LEU 14 HD22 LEU 14 7.120 0.517 -2.698 87 3HD2 LEU 14 HD23 LEU 14 7.810 1.990 -3.380 88 1HN ABA 15 HN ABU 15 6.274 1.089 1.398 89 HA ABA 15 HA ABU 15 4.046 2.455 2.704 90 2HB ABA 15 HB ABU 15 5.976 3.585 4.158 91 1HG ABA 15 HG21 ABU 15 4.668 4.503 1.625 92 2HG ABA 15 HG22 ABU 15 5.710 5.579 2.556 93 3HG ABA 15 HG23 ABU 15 4.260 4.904 3.297 94 1HN DHA 16 HN DHA 16 4.254 2.287 5.093 95 2HB DHA 16 HB1 DHA 16 6.075 2.052 7.145 96 3HB DHA 16 HB2 DHA 16 5.843 0.401 7.992 97 H GLU 17 HN GLU 17 3.392 -0.396 4.443 98 HA GLU 17 HA GLU 17 2.831 -2.691 6.107 99 1HB GLU 17 HB2 GLU 17 1.044 -3.131 4.660 100 2HB GLU 17 HB1 GLU 17 1.120 -1.381 4.721 101 1HG GLU 17 HG2 GLU 17 2.400 -2.983 2.526 102 2HG GLU 17 HG1 GLU 17 0.721 -2.459 2.457 103 H CYS 18 HN CYS 18 4.969 -1.846 3.638 104 HA CYS 18 HA CYS 18 5.588 -4.680 3.136 105 1HB CYS 18 HB2 CYS 18 5.774 -2.335 1.244 106 2HB CYS 18 HB1 CYS 18 6.408 -3.935 0.890 107 H ILE 19 HN ILE 19 7.163 -1.495 2.676 108 HA ILE 19 HA ILE 19 9.554 -2.673 3.933 109 HB ILE 19 HB ILE 19 9.577 -0.425 1.914 110 1HG1 ILE 19 HG12 ILE 19 8.809 -2.508 0.852 111 2HG1 ILE 19 HG11 ILE 19 10.409 -2.050 0.282 112 1HG2 ILE 19 HG21 ILE 19 11.867 -2.148 2.813 113 2HG2 ILE 19 HG22 ILE 19 11.440 -0.640 3.616 114 3HG2 ILE 19 HG23 ILE 19 11.928 -0.629 1.920 115 1HD1 ILE 19 HD11 ILE 19 10.100 -3.998 2.523 116 2HD1 ILE 19 HD12 ILE 19 11.445 -3.791 1.402 117 3HD1 ILE 19 HD13 ILE 19 9.937 -4.517 0.846 118 1HN TEE 20 HN TEA 20 8.973 0.659 3.054 119 HB2 TEE 20 HB2 TEA 20 7.664 3.208 5.532 120 HA TEE 20 HA TEA 20 8.689 1.985 5.870 Start of MODEL 11 1 1H CYS 1 HT1 CYS 1 -0.321 1.649 2.476 2 2H CYS 1 HT2 CYS 1 -0.664 2.335 3.989 3 3H CYS 1 HT3 CYS 1 -1.081 3.165 2.573 4 HA CYS 1 HA CYS 1 -2.187 0.528 2.746 5 1HB CYS 1 HB2 CYS 1 -2.284 1.103 5.097 6 2HB CYS 1 HB1 CYS 1 -2.967 2.680 4.718 7 1HN ABA 2 HN ABU 2 -4.755 1.835 0.727 8 HA ABA 2 HA ABU 2 -5.209 -0.330 1.176 9 2HB ABA 2 HB ABU 2 -4.233 -1.310 3.376 10 1HG ABA 2 HG21 ABU 2 -6.077 -0.436 4.610 11 2HG ABA 2 HG22 ABU 2 -6.583 -0.578 2.926 12 3HG ABA 2 HG23 ABU 2 -6.155 0.999 3.588 13 H PHE 3 HN PHE 3 -3.626 -2.379 2.251 14 HA PHE 3 HA PHE 3 -0.993 -2.379 1.125 15 1HB PHE 3 HB2 PHE 3 -1.496 -3.790 3.032 16 2HB PHE 3 HB1 PHE 3 -2.767 -4.614 2.137 17 HD1 PHE 3 HD1 PHE 3 0.768 -3.771 1.275 18 HD2 PHE 3 HD2 PHE 3 -2.169 -6.797 1.834 19 HE1 PHE 3 HE1 PHE 3 2.381 -5.473 0.531 20 HE2 PHE 3 HE2 PHE 3 -0.560 -8.501 1.094 21 HZ PHE 3 HZ PHE 3 1.719 -7.839 0.440 22 1HN ABA 4 HN ABU 4 -1.249 -1.801 -1.055 23 HA ABA 4 HA ABU 4 -2.503 -3.883 -2.723 24 2HB ABA 4 HB ABU 4 -0.886 -2.706 -4.512 25 1HG ABA 4 HG21 ABU 4 -0.168 -4.891 -2.563 26 2HG ABA 4 HG22 ABU 4 0.769 -4.518 -4.011 27 3HG ABA 4 HG23 ABU 4 -0.901 -5.066 -4.158 28 H LEU 5 HN LEU 5 -3.648 -1.418 -1.511 29 HA LEU 5 HA LEU 5 -4.413 -0.048 -3.994 30 1HB LEU 5 HB2 LEU 5 -6.163 -0.932 -1.714 31 2HB LEU 5 HB1 LEU 5 -6.681 0.221 -2.933 32 HG LEU 5 HG LEU 5 -5.716 -2.552 -3.578 33 1HD1 LEU 5 HD11 LEU 5 -8.468 -2.345 -4.076 34 2HD1 LEU 5 HD12 LEU 5 -8.220 -1.698 -2.452 35 3HD1 LEU 5 HD13 LEU 5 -7.670 -3.327 -2.847 36 1HD2 LEU 5 HD21 LEU 5 -6.550 -2.159 -5.755 37 2HD2 LEU 5 HD22 LEU 5 -5.599 -0.737 -5.321 38 3HD2 LEU 5 HD23 LEU 5 -7.361 -0.675 -5.253 39 HA PRO 6 HA PRO 6 -2.453 3.145 -1.359 40 1HB PRO 6 HB2 PRO 6 -2.673 4.373 -4.059 41 2HB PRO 6 HB1 PRO 6 -1.313 4.381 -2.932 42 1HG PRO 6 HG2 PRO 6 -1.261 2.789 -5.043 43 2HG PRO 6 HG1 PRO 6 -0.694 2.206 -3.467 44 1HD PRO 6 HD2 PRO 6 -3.259 1.647 -4.867 45 2HD PRO 6 HD1 PRO 6 -2.261 0.548 -3.912 46 H GLY 7 HN GLY 7 -4.049 3.857 -0.107 47 1HA GLY 7 HA2 GLY 7 -5.597 6.104 -0.942 48 2HA GLY 7 HA1 GLY 7 -6.589 4.661 -0.773 49 H GLY 8 HN GLY 8 -4.665 7.031 0.874 50 1HA GLY 8 HA2 GLY 8 -5.545 7.679 3.102 51 2HA GLY 8 HA1 GLY 8 -5.637 5.957 3.452 52 H GLY 9 HN GLY 9 -2.951 7.152 1.628 53 1HA GLY 9 HA2 GLY 9 -0.846 7.887 2.443 54 2HA GLY 9 HA1 GLY 9 -1.286 7.293 4.035 55 H GLY 10 HN GLY 10 0.204 6.563 1.026 56 1HA GLY 10 HA2 GLY 10 1.976 4.795 1.312 57 2HA GLY 10 HA1 GLY 10 0.675 3.789 1.930 58 H VAL 11 HN VAL 11 2.415 3.378 -0.395 59 HA VAL 11 HA VAL 11 0.353 3.378 -2.504 60 HB VAL 11 HB VAL 11 3.233 3.033 -3.201 61 1HG1 VAL 11 HG11 VAL 11 2.121 2.895 -5.142 62 2HG1 VAL 11 HG12 VAL 11 2.170 4.657 -5.067 63 3HG1 VAL 11 HG13 VAL 11 0.729 3.788 -4.535 64 1HG2 VAL 11 HG21 VAL 11 2.748 5.113 -1.623 65 2HG2 VAL 11 HG22 VAL 11 2.214 5.820 -3.148 66 3HG2 VAL 11 HG23 VAL 11 3.863 5.213 -2.987 67 H CYS 12 HN CYS 12 0.967 1.479 -4.168 68 HA CYS 12 HA CYS 12 0.481 -0.865 -2.692 69 1HB CYS 12 HB2 CYS 12 -0.395 -0.479 -4.958 70 2HB CYS 12 HB1 CYS 12 1.238 -0.625 -5.595 71 1HN ABA 13 HN ABU 13 2.219 -1.296 -1.317 72 HA ABA 13 HA ABU 13 4.512 -2.568 -2.589 73 2HB ABA 13 HB ABU 13 3.129 -2.850 -0.059 74 1HG ABA 13 HG21 ABU 13 5.037 -4.902 -0.606 75 2HG ABA 13 HG22 ABU 13 4.233 -4.443 -2.108 76 3HG ABA 13 HG23 ABU 13 3.278 -4.963 -0.719 77 H LEU 14 HN LEU 14 3.663 0.388 -1.158 78 HA LEU 14 HA LEU 14 6.489 1.071 -0.698 79 1HB LEU 14 HB2 LEU 14 4.519 2.896 -2.062 80 2HB LEU 14 HB1 LEU 14 6.230 3.171 -1.832 81 HG LEU 14 HG LEU 14 5.042 1.044 -3.629 82 1HD1 LEU 14 HD11 LEU 14 4.765 3.474 -4.315 83 2HD1 LEU 14 HD12 LEU 14 5.592 2.417 -5.459 84 3HD1 LEU 14 HD13 LEU 14 6.523 3.528 -4.454 85 1HD2 LEU 14 HD21 LEU 14 7.136 0.306 -4.071 86 2HD2 LEU 14 HD22 LEU 14 7.455 0.917 -2.448 87 3HD2 LEU 14 HD23 LEU 14 7.866 1.898 -3.854 88 1HN ABA 15 HN ABU 15 6.283 1.078 1.506 89 HA ABA 15 HA ABU 15 4.113 2.526 2.748 90 2HB ABA 15 HB ABU 15 6.027 3.730 4.179 91 1HG ABA 15 HG21 ABU 15 5.700 5.691 2.522 92 2HG ABA 15 HG22 ABU 15 4.297 5.029 3.361 93 3HG ABA 15 HG23 ABU 15 4.618 4.578 1.685 94 1HN DHA 16 HN DHA 16 4.245 2.361 5.110 95 2HB DHA 16 HB1 DHA 16 6.305 1.987 7.114 96 3HB DHA 16 HB2 DHA 16 5.925 0.368 7.969 97 H GLU 17 HN GLU 17 3.618 -0.301 4.306 98 HA GLU 17 HA GLU 17 2.616 -2.466 5.977 99 1HB GLU 17 HB2 GLU 17 2.175 -2.262 3.008 100 2HB GLU 17 HB1 GLU 17 1.141 -2.994 4.221 101 1HG GLU 17 HG2 GLU 17 -0.071 -1.138 3.849 102 2HG GLU 17 HG1 GLU 17 1.024 -0.469 5.058 103 H CYS 18 HN CYS 18 5.023 -1.809 3.640 104 HA CYS 18 HA CYS 18 5.641 -4.668 3.373 105 1HB CYS 18 HB2 CYS 18 6.004 -2.423 1.379 106 2HB CYS 18 HB1 CYS 18 6.422 -4.110 1.096 107 H ILE 19 HN ILE 19 7.446 -1.698 2.534 108 HA ILE 19 HA ILE 19 9.658 -2.750 4.177 109 HB ILE 19 HB ILE 19 9.865 -0.969 1.742 110 1HG1 ILE 19 HG12 ILE 19 10.627 -3.877 2.114 111 2HG1 ILE 19 HG11 ILE 19 9.228 -3.301 1.213 112 1HG2 ILE 19 HG21 ILE 19 11.605 -0.567 3.449 113 2HG2 ILE 19 HG22 ILE 19 12.261 -1.235 1.954 114 3HG2 ILE 19 HG23 ILE 19 12.049 -2.271 3.365 115 1HD1 ILE 19 HD11 ILE 19 10.785 -2.115 -0.317 116 2HD1 ILE 19 HD12 ILE 19 10.953 -3.870 -0.332 117 3HD1 ILE 19 HD13 ILE 19 12.127 -2.879 0.535 118 1HN TEE 20 HN TEA 20 8.989 0.399 2.744 119 HB2 TEE 20 HB2 TEA 20 7.896 2.709 2.946 120 HA TEE 20 HA TEA 20 8.493 1.158 5.131 Start of MODEL 12 1 1H CYS 1 HT1 CYS 1 -0.196 1.549 1.988 2 2H CYS 1 HT2 CYS 1 0.030 1.750 3.658 3 3H CYS 1 HT3 CYS 1 -0.664 2.998 2.745 4 HA CYS 1 HA CYS 1 -1.921 0.352 2.834 5 1HB CYS 1 HB2 CYS 1 -1.612 0.901 5.159 6 2HB CYS 1 HB1 CYS 1 -2.179 2.546 4.896 7 1HN ABA 2 HN ABU 2 -4.724 1.788 1.289 8 HA ABA 2 HA ABU 2 -5.156 -0.383 1.801 9 2HB ABA 2 HB ABU 2 -3.796 -1.281 3.903 10 1HG ABA 2 HG21 ABU 2 -5.560 -0.203 5.353 11 2HG ABA 2 HG22 ABU 2 -6.157 -1.095 3.952 12 3HG ABA 2 HG23 ABU 2 -6.089 0.668 3.912 13 H PHE 3 HN PHE 3 -3.408 -2.380 2.810 14 HA PHE 3 HA PHE 3 -0.905 -2.445 1.505 15 1HB PHE 3 HB2 PHE 3 -1.364 -3.904 3.393 16 2HB PHE 3 HB1 PHE 3 -2.660 -4.698 2.504 17 HD1 PHE 3 HD1 PHE 3 0.878 -3.819 1.694 18 HD2 PHE 3 HD2 PHE 3 -2.100 -6.846 1.960 19 HE1 PHE 3 HE1 PHE 3 2.477 -5.466 0.810 20 HE2 PHE 3 HE2 PHE 3 -0.502 -8.497 1.088 21 HZ PHE 3 HZ PHE 3 1.788 -7.810 0.511 22 1HN ABA 4 HN ABU 4 -0.856 -2.110 -0.639 23 HA ABA 4 HA ABU 4 -2.218 -4.102 -2.309 24 2HB ABA 4 HB ABU 4 -0.676 -2.784 -4.079 25 1HG ABA 4 HG21 ABU 4 -0.651 -5.155 -3.804 26 2HG ABA 4 HG22 ABU 4 0.116 -5.022 -2.222 27 3HG ABA 4 HG23 ABU 4 1.012 -4.581 -3.677 28 H LEU 5 HN LEU 5 -3.307 -1.480 -1.108 29 HA LEU 5 HA LEU 5 -4.311 -0.372 -3.640 30 1HB LEU 5 HB2 LEU 5 -5.814 -1.011 -1.121 31 2HB LEU 5 HB1 LEU 5 -6.427 0.140 -2.297 32 HG LEU 5 HG LEU 5 -5.799 -2.758 -2.848 33 1HD1 LEU 5 HD11 LEU 5 -8.305 -2.851 -3.196 34 2HD1 LEU 5 HD12 LEU 5 -8.378 -1.283 -2.393 35 3HD1 LEU 5 HD13 LEU 5 -7.759 -2.687 -1.525 36 1HD2 LEU 5 HD21 LEU 5 -6.503 -2.428 -5.039 37 2HD2 LEU 5 HD22 LEU 5 -5.497 -1.013 -4.704 38 3HD2 LEU 5 HD23 LEU 5 -7.260 -0.878 -4.663 39 HA PRO 6 HA PRO 6 -1.970 2.971 -1.661 40 1HB PRO 6 HB2 PRO 6 -2.300 4.474 -4.026 41 2HB PRO 6 HB1 PRO 6 -0.880 3.540 -3.553 42 1HG PRO 6 HG2 PRO 6 -3.074 2.833 -5.409 43 2HG PRO 6 HG1 PRO 6 -1.379 2.324 -5.417 44 1HD PRO 6 HD2 PRO 6 -3.374 0.685 -4.654 45 2HD PRO 6 HD1 PRO 6 -1.765 0.613 -3.923 46 H GLY 7 HN GLY 7 -2.890 4.364 -0.377 47 1HA GLY 7 HA2 GLY 7 -5.397 5.665 -1.245 48 2HA GLY 7 HA1 GLY 7 -5.054 5.254 0.434 49 H GLY 8 HN GLY 8 -5.467 7.551 0.835 50 1HA GLY 8 HA2 GLY 8 -3.864 9.587 -0.267 51 2HA GLY 8 HA1 GLY 8 -4.806 9.709 1.209 52 H GLY 9 HN GLY 9 -1.709 8.794 -0.146 53 1HA GLY 9 HA2 GLY 9 0.253 9.677 1.004 54 2HA GLY 9 HA1 GLY 9 -0.530 9.270 2.521 55 H GLY 10 HN GLY 10 -0.712 7.021 -0.108 56 1HA GLY 10 HA2 GLY 10 1.673 5.588 0.640 57 2HA GLY 10 HA1 GLY 10 0.196 4.808 1.191 58 H VAL 11 HN VAL 11 2.171 3.878 -0.757 59 HA VAL 11 HA VAL 11 0.373 3.559 -3.072 60 HB VAL 11 HB VAL 11 3.382 3.619 -3.295 61 1HG1 VAL 11 HG11 VAL 11 3.075 3.676 -5.619 62 2HG1 VAL 11 HG12 VAL 11 1.356 4.039 -5.469 63 3HG1 VAL 11 HG13 VAL 11 1.963 2.442 -5.028 64 1HG2 VAL 11 HG21 VAL 11 1.952 5.891 -4.442 65 2HG2 VAL 11 HG22 VAL 11 3.457 5.843 -3.525 66 3HG2 VAL 11 HG23 VAL 11 1.908 5.837 -2.679 67 H CYS 12 HN CYS 12 0.555 1.515 -4.160 68 HA CYS 12 HA CYS 12 0.613 -0.674 -2.463 69 1HB CYS 12 HB2 CYS 12 -0.541 -0.670 -4.626 70 2HB CYS 12 HB1 CYS 12 1.017 -0.643 -5.451 71 1HN ABA 13 HN ABU 13 2.293 -1.548 -1.431 72 HA ABA 13 HA ABU 13 4.661 -2.269 -2.961 73 2HB ABA 13 HB ABU 13 3.849 -2.943 -0.147 74 1HG ABA 13 HG21 ABU 13 2.560 -3.852 -2.204 75 2HG ABA 13 HG22 ABU 13 3.072 -4.975 -0.945 76 3HG ABA 13 HG23 ABU 13 3.992 -4.852 -2.444 77 H LEU 14 HN LEU 14 3.834 0.470 -1.698 78 HA LEU 14 HA LEU 14 6.590 1.109 -0.891 79 1HB LEU 14 HB2 LEU 14 4.591 2.966 -2.172 80 2HB LEU 14 HB1 LEU 14 6.316 3.207 -2.011 81 HG LEU 14 HG LEU 14 4.959 1.184 -3.816 82 1HD1 LEU 14 HD11 LEU 14 6.466 3.738 -4.390 83 2HD1 LEU 14 HD12 LEU 14 4.749 3.434 -4.660 84 3HD1 LEU 14 HD13 LEU 14 5.958 2.566 -5.608 85 1HD2 LEU 14 HD21 LEU 14 7.180 0.493 -2.799 86 2HD2 LEU 14 HD22 LEU 14 7.900 1.835 -3.690 87 3HD2 LEU 14 HD23 LEU 14 7.100 0.525 -4.560 88 1HN ABA 15 HN ABU 15 6.507 1.215 1.317 89 HA ABA 15 HA ABU 15 4.320 2.747 2.536 90 2HB ABA 15 HB ABU 15 6.235 3.647 4.117 91 1HG ABA 15 HG21 ABU 15 4.739 5.095 2.970 92 2HG ABA 15 HG22 ABU 15 5.478 4.733 1.409 93 3HG ABA 15 HG23 ABU 15 6.370 5.662 2.614 94 1HN DHA 16 HN DHA 16 4.173 2.406 4.854 95 2HB DHA 16 HB1 DHA 16 5.967 1.710 7.039 96 3HB DHA 16 HB2 DHA 16 5.337 0.094 7.740 97 H GLU 17 HN GLU 17 3.534 -0.163 3.793 98 HA GLU 17 HA GLU 17 2.107 -2.320 5.117 99 1HB GLU 17 HB2 GLU 17 1.211 -2.644 2.735 100 2HB GLU 17 HB1 GLU 17 0.750 -1.171 3.574 101 1HG GLU 17 HG2 GLU 17 2.481 0.061 2.362 102 2HG GLU 17 HG1 GLU 17 2.942 -1.419 1.522 103 H CYS 18 HN CYS 18 4.953 -1.739 3.356 104 HA CYS 18 HA CYS 18 5.386 -4.619 2.982 105 1HB CYS 18 HB2 CYS 18 5.805 -2.380 1.013 106 2HB CYS 18 HB1 CYS 18 6.504 -3.975 0.786 107 H ILE 19 HN ILE 19 7.220 -1.551 2.599 108 HA ILE 19 HA ILE 19 9.387 -2.885 4.075 109 HB ILE 19 HB ILE 19 9.707 -0.689 2.022 110 1HG1 ILE 19 HG12 ILE 19 10.293 -3.653 1.811 111 2HG1 ILE 19 HG11 ILE 19 8.974 -2.815 1.002 112 1HG2 ILE 19 HG21 ILE 19 12.106 -2.075 2.423 113 2HG2 ILE 19 HG22 ILE 19 11.459 -1.761 4.032 114 3HG2 ILE 19 HG23 ILE 19 11.727 -0.424 2.911 115 1HD1 ILE 19 HD11 ILE 19 10.478 -2.900 -0.694 116 2HD1 ILE 19 HD12 ILE 19 11.872 -2.843 0.388 117 3HD1 ILE 19 HD13 ILE 19 10.964 -1.372 0.038 118 1HN TEE 20 HN TEA 20 9.041 0.491 3.195 119 HB2 TEE 20 HB2 TEA 20 7.872 3.114 5.714 120 HA TEE 20 HA TEA 20 8.002 1.209 5.268 Start of MODEL 13 1 1H CYS 1 HT1 CYS 1 -0.599 3.136 2.005 2 2H CYS 1 HT2 CYS 1 -0.080 1.556 1.656 3 3H CYS 1 HT3 CYS 1 0.069 2.180 3.232 4 HA CYS 1 HA CYS 1 -1.884 0.600 2.521 5 1HB CYS 1 HB2 CYS 1 -1.496 1.330 4.783 6 2HB CYS 1 HB1 CYS 1 -2.026 2.964 4.395 7 1HN ABA 2 HN ABU 2 -4.688 1.982 0.928 8 HA ABA 2 HA ABU 2 -5.156 -0.125 1.613 9 2HB ABA 2 HB ABU 2 -3.854 -0.900 3.763 10 1HG ABA 2 HG21 ABU 2 -5.456 0.675 5.094 11 2HG ABA 2 HG22 ABU 2 -6.115 -0.562 4.025 12 3HG ABA 2 HG23 ABU 2 -6.038 1.116 3.488 13 H PHE 3 HN PHE 3 -3.518 -2.136 2.708 14 HA PHE 3 HA PHE 3 -0.994 -2.381 1.481 15 1HB PHE 3 HB2 PHE 3 -1.627 -3.733 3.411 16 2HB PHE 3 HB1 PHE 3 -2.889 -4.522 2.471 17 HD1 PHE 3 HD1 PHE 3 0.691 -3.773 1.746 18 HD2 PHE 3 HD2 PHE 3 -2.333 -6.735 2.184 19 HE1 PHE 3 HE1 PHE 3 2.298 -5.508 1.072 20 HE2 PHE 3 HE2 PHE 3 -0.731 -8.474 1.513 21 HZ PHE 3 HZ PHE 3 1.568 -7.873 0.938 22 1HN ABA 4 HN ABU 4 -0.899 -2.069 -0.678 23 HA ABA 4 HA ABU 4 -2.241 -4.081 -2.333 24 2HB ABA 4 HB ABU 4 -0.681 -2.911 -4.126 25 1HG ABA 4 HG21 ABU 4 0.414 -4.764 -2.018 26 2HG ABA 4 HG22 ABU 4 1.006 -4.574 -3.669 27 3HG ABA 4 HG23 ABU 4 -0.592 -5.260 -3.379 28 H LEU 5 HN LEU 5 -3.227 -1.311 -1.213 29 HA LEU 5 HA LEU 5 -4.240 -0.320 -3.786 30 1HB LEU 5 HB2 LEU 5 -5.802 -0.999 -1.317 31 2HB LEU 5 HB1 LEU 5 -6.406 0.166 -2.484 32 HG LEU 5 HG LEU 5 -5.685 -2.694 -3.114 33 1HD1 LEU 5 HD11 LEU 5 -8.455 -1.593 -3.213 34 2HD1 LEU 5 HD12 LEU 5 -7.784 -2.110 -1.664 35 3HD1 LEU 5 HD13 LEU 5 -7.913 -3.258 -2.998 36 1HD2 LEU 5 HD21 LEU 5 -7.257 -0.865 -4.876 37 2HD2 LEU 5 HD22 LEU 5 -6.331 -2.310 -5.294 38 3HD2 LEU 5 HD23 LEU 5 -5.491 -0.809 -4.886 39 HA PRO 6 HA PRO 6 -2.359 3.252 -1.652 40 1HB PRO 6 HB2 PRO 6 -1.794 4.515 -4.005 41 2HB PRO 6 HB1 PRO 6 -0.724 3.331 -3.248 42 1HG PRO 6 HG2 PRO 6 -2.655 2.974 -5.499 43 2HG PRO 6 HG1 PRO 6 -1.027 2.303 -5.301 44 1HD PRO 6 HD2 PRO 6 -3.278 0.865 -4.838 45 2HD PRO 6 HD1 PRO 6 -1.764 0.591 -3.958 46 H GLY 7 HN GLY 7 -4.553 3.728 -0.927 47 1HA GLY 7 HA2 GLY 7 -6.064 5.447 -2.783 48 2HA GLY 7 HA1 GLY 7 -6.735 4.620 -1.382 49 H GLY 8 HN GLY 8 -4.417 5.419 0.283 50 1HA GLY 8 HA2 GLY 8 -4.068 8.179 0.399 51 2HA GLY 8 HA1 GLY 8 -5.515 7.813 1.326 52 H GLY 9 HN GLY 9 -2.053 7.458 1.138 53 1HA GLY 9 HA2 GLY 9 -0.979 7.684 3.391 54 2HA GLY 9 HA1 GLY 9 -2.088 6.422 3.907 55 H GLY 10 HN GLY 10 -0.253 6.606 0.874 56 1HA GLY 10 HA2 GLY 10 1.962 5.368 0.927 57 2HA GLY 10 HA1 GLY 10 1.024 4.074 1.665 58 H VAL 11 HN VAL 11 2.491 3.770 -0.690 59 HA VAL 11 HA VAL 11 0.348 3.472 -2.694 60 HB VAL 11 HB VAL 11 3.317 3.595 -3.281 61 1HG1 VAL 11 HG11 VAL 11 0.890 3.756 -5.061 62 2HG1 VAL 11 HG12 VAL 11 2.066 2.445 -4.987 63 3HG1 VAL 11 HG13 VAL 11 2.550 4.029 -5.594 64 1HG2 VAL 11 HG21 VAL 11 3.290 5.807 -3.165 65 2HG2 VAL 11 HG22 VAL 11 1.651 5.730 -2.517 66 3HG2 VAL 11 HG23 VAL 11 1.906 5.880 -4.257 67 H CYS 12 HN CYS 12 0.542 1.476 -4.007 68 HA CYS 12 HA CYS 12 0.627 -0.780 -2.438 69 1HB CYS 12 HB2 CYS 12 -0.505 -0.655 -4.621 70 2HB CYS 12 HB1 CYS 12 1.066 -0.662 -5.417 71 1HN ABA 13 HN ABU 13 2.324 -1.476 -1.331 72 HA ABA 13 HA ABU 13 4.696 -2.295 -2.811 73 2HB ABA 13 HB ABU 13 4.006 -2.750 0.073 74 1HG ABA 13 HG21 ABU 13 3.177 -4.104 -2.405 75 2HG ABA 13 HG22 ABU 13 2.406 -4.056 -0.819 76 3HG ABA 13 HG23 ABU 13 3.750 -5.160 -1.108 77 H LEU 14 HN LEU 14 3.824 0.516 -1.640 78 HA LEU 14 HA LEU 14 6.578 1.211 -0.858 79 1HB LEU 14 HB2 LEU 14 4.597 3.035 -2.204 80 2HB LEU 14 HB1 LEU 14 6.326 3.263 -2.040 81 HG LEU 14 HG LEU 14 4.969 1.199 -3.790 82 1HD1 LEU 14 HD11 LEU 14 4.828 3.609 -4.497 83 2HD1 LEU 14 HD12 LEU 14 5.625 2.525 -5.637 84 3HD1 LEU 14 HD13 LEU 14 6.587 3.599 -4.621 85 1HD2 LEU 14 HD21 LEU 14 7.891 1.831 -3.353 86 2HD2 LEU 14 HD22 LEU 14 7.270 0.850 -4.680 87 3HD2 LEU 14 HD23 LEU 14 7.060 0.312 -3.013 88 1HN ABA 15 HN ABU 15 6.362 1.247 1.345 89 HA ABA 15 HA ABU 15 4.148 2.736 2.520 90 2HB ABA 15 HB ABU 15 6.037 3.721 4.124 91 1HG ABA 15 HG21 ABU 15 5.236 4.909 1.471 92 2HG ABA 15 HG22 ABU 15 5.888 5.809 2.837 93 3HG ABA 15 HG23 ABU 15 4.324 5.007 2.976 94 1HN DHA 16 HN DHA 16 4.036 2.419 4.849 95 2HB DHA 16 HB1 DHA 16 5.761 1.867 7.064 96 3HB DHA 16 HB2 DHA 16 5.256 0.205 7.758 97 H GLU 17 HN GLU 17 3.493 -0.173 3.788 98 HA GLU 17 HA GLU 17 2.155 -2.376 5.113 99 1HB GLU 17 HB2 GLU 17 1.291 -2.752 2.724 100 2HB GLU 17 HB1 GLU 17 0.782 -1.284 3.542 101 1HG GLU 17 HG2 GLU 17 2.474 -0.015 2.330 102 2HG GLU 17 HG1 GLU 17 3.008 -1.487 1.523 103 H CYS 18 HN CYS 18 5.042 -1.798 3.411 104 HA CYS 18 HA CYS 18 5.472 -4.682 3.093 105 1HB CYS 18 HB2 CYS 18 5.938 -2.483 1.095 106 2HB CYS 18 HB1 CYS 18 6.648 -4.077 0.911 107 H ILE 19 HN ILE 19 7.458 -1.759 2.469 108 HA ILE 19 HA ILE 19 9.489 -2.955 4.245 109 HB ILE 19 HB ILE 19 9.958 -1.001 1.985 110 1HG1 ILE 19 HG12 ILE 19 10.569 -3.964 2.115 111 2HG1 ILE 19 HG11 ILE 19 9.253 -3.244 1.192 112 1HG2 ILE 19 HG21 ILE 19 11.513 -1.513 4.205 113 2HG2 ILE 19 HG22 ILE 19 12.068 -0.805 2.689 114 3HG2 ILE 19 HG23 ILE 19 12.224 -2.542 2.960 115 1HD1 ILE 19 HD11 ILE 19 11.527 -3.865 0.059 116 2HD1 ILE 19 HD12 ILE 19 12.027 -2.299 0.695 117 3HD1 ILE 19 HD13 ILE 19 10.652 -2.407 -0.405 118 1HN TEE 20 HN TEA 20 8.862 0.264 2.951 119 HB2 TEE 20 HB2 TEA 20 7.447 2.952 4.106 120 HA TEE 20 HA TEA 20 7.951 1.374 5.197
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