NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8727 | 1mqx | 5581 | 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 1H CYS 1 10.494 2.180 0.055 2 2H CYS 1 2H CYS 1 9.923 2.750 1.547 3 3H CYS 1 3H CYS 1 11.357 3.377 0.892 4 HA CYS 1 HA CYS 1 8.682 3.666 -0.340 5 1HB CYS 1 1HB CYS 1 9.427 4.850 1.949 6 2HB CYS 1 2HB CYS 1 10.195 5.954 0.816 7 1HN ABA 2 1HN ABA 2 10.234 5.400 -3.069 8 HA ABA 2 HA ABA 2 8.055 5.923 -3.168 9 2HB ABA 2 2HB ABA 2 7.048 6.023 -0.601 10 1HG ABA 2 1HG ABA 2 6.738 8.121 -1.253 11 2HG ABA 2 2HG ABA 2 7.703 7.760 -2.684 12 3HG ABA 2 3HG ABA 2 8.473 8.429 -1.246 13 H PHE 3 H PHE 3 6.101 5.032 -0.989 14 HA PHE 3 HA PHE 3 5.948 2.179 -1.453 15 1HB PHE 3 1HB PHE 3 3.754 2.475 -0.131 16 2HB PHE 3 2HB PHE 3 5.270 2.715 0.718 17 HD1 PHE 3 HD1 PHE 3 4.932 4.250 2.372 18 HD2 PHE 3 HD2 PHE 3 3.272 4.995 -1.477 19 HE1 PHE 3 HE1 PHE 3 4.171 6.461 3.131 20 HE2 PHE 3 HE2 PHE 3 2.515 7.210 -0.723 21 HZ PHE 3 HZ PHE 3 2.962 7.942 1.584 22 1HN ABA 4 1HN ABA 4 3.121 1.966 -1.650 23 HA ABA 4 HA ABA 4 2.633 3.088 -4.323 24 2HB ABA 4 2HB ABA 4 0.984 3.042 -1.939 25 1HG ABA 4 1HG ABA 4 -0.132 4.817 -3.002 26 2HG ABA 4 2HG ABA 4 0.334 4.257 -4.609 27 3HG ABA 4 3HG ABA 4 1.546 4.945 -3.528 28 H LEU 5 H LEU 5 3.797 1.274 -5.176 29 HA LEU 5 HA LEU 5 2.394 -1.298 -4.921 30 1HB LEU 5 1HB LEU 5 3.882 -0.250 -7.336 31 2HB LEU 5 2HB LEU 5 3.185 -1.852 -7.194 32 HG LEU 5 HG LEU 5 0.969 -0.488 -6.778 33 1HD1 LEU 5 1HD1 LEU 5 2.164 1.408 -8.719 34 2HD1 LEU 5 2HD1 LEU 5 2.505 1.653 -7.005 35 3HD1 LEU 5 3HD1 LEU 5 0.837 1.636 -7.578 36 1HD2 LEU 5 1HD2 LEU 5 0.606 -1.708 -8.607 37 2HD2 LEU 5 2HD2 LEU 5 2.287 -1.573 -9.121 38 3HD2 LEU 5 3HD2 LEU 5 1.135 -0.305 -9.534 39 HA PRO 6 HA PRO 6 6.687 -1.823 -3.488 40 1HB PRO 6 1HB PRO 6 6.184 -2.601 -0.988 41 2HB PRO 6 2HB PRO 6 5.968 -0.916 -1.473 42 1HG PRO 6 1HG PRO 6 3.929 -3.012 -0.954 43 2HG PRO 6 2HG PRO 6 3.830 -1.260 -0.716 44 1HD PRO 6 1HD PRO 6 2.843 -2.758 -2.922 45 2HD PRO 6 2HD PRO 6 2.885 -0.993 -2.755 46 H GLY 7 H GLY 7 7.197 -3.888 -1.642 47 1HA GLY 7 1HA GLY 7 6.030 -6.362 -2.327 48 2HA GLY 7 2HA GLY 7 7.464 -6.106 -3.313 49 H GLY 8 H GLY 8 6.242 -6.673 -0.105 50 1HA GLY 8 1HA GLY 8 8.665 -7.933 0.691 51 2HA GLY 8 2HA GLY 8 8.517 -6.346 1.433 52 H GLY 9 H GLY 9 7.078 -6.040 3.098 53 1HA GLY 9 1HA GLY 9 5.750 -8.500 4.045 54 2HA GLY 9 2HA GLY 9 6.397 -7.253 5.099 55 H GLY 10 H GLY 10 5.335 -5.014 3.665 56 1HA GLY 10 1HA GLY 10 2.456 -5.423 4.184 57 2HA GLY 10 2HA GLY 10 3.317 -3.960 4.645 58 H VAL 11 H VAL 11 1.057 -3.760 3.146 59 HA VAL 11 HA VAL 11 2.104 -3.073 0.478 60 HB VAL 11 HB VAL 11 -0.810 -3.622 1.059 61 1HG1 VAL 11 1HG1 VAL 11 -0.618 -2.377 -0.919 62 2HG1 VAL 11 2HG1 VAL 11 -0.746 -4.050 -1.467 63 3HG1 VAL 11 3HG1 VAL 11 0.825 -3.249 -1.435 64 1HG2 VAL 11 1HG2 VAL 11 -0.529 -5.830 0.912 65 2HG2 VAL 11 2HG2 VAL 11 1.195 -5.540 1.132 66 3HG2 VAL 11 3HG2 VAL 11 0.524 -5.674 -0.493 67 H CYS 12 H CYS 12 1.122 -1.197 -0.499 68 HA CYS 12 HA CYS 12 1.208 1.087 1.098 69 1HB CYS 12 1HB CYS 12 1.799 0.876 -1.260 70 2HB CYS 12 2HB CYS 12 0.120 0.623 -1.630 71 1HN ABA 13 1HN ABA 13 -0.437 0.496 2.745 72 HA ABA 13 HA ABA 13 -3.112 1.293 1.891 73 2HB ABA 13 2HB ABA 13 -2.416 0.715 4.753 74 1HG ABA 13 1HG ABA 13 -1.506 2.792 5.154 75 2HG ABA 13 2HG ABA 13 -2.229 3.507 3.711 76 3HG ABA 13 3HG ABA 13 -0.838 2.434 3.559 77 H LEU 14 H LEU 14 -3.393 -0.492 0.736 78 HA LEU 14 HA LEU 14 -3.163 -3.122 1.787 79 1HB LEU 14 1HB LEU 14 -5.390 -2.396 2.667 80 2HB LEU 14 2HB LEU 14 -5.917 -2.152 1.014 81 HG LEU 14 HG LEU 14 -5.595 -4.567 0.572 82 1HD1 LEU 14 1HD1 LEU 14 -4.481 -5.892 1.958 83 2HD1 LEU 14 2HD1 LEU 14 -5.535 -5.449 3.302 84 3HD1 LEU 14 3HD1 LEU 14 -4.110 -4.474 2.942 85 1HD2 LEU 14 1HD2 LEU 14 -7.796 -4.262 1.011 86 2HD2 LEU 14 2HD2 LEU 14 -7.492 -3.476 2.559 87 3HD2 LEU 14 3HD2 LEU 14 -7.403 -5.235 2.430 88 1HN ABA 15 1HN ABA 15 -3.697 -0.799 -0.621 89 HA ABA 15 HA ABA 15 -3.435 -2.779 -2.782 90 2HB ABA 15 2HB ABA 15 -2.459 0.048 -3.105 91 1HG ABA 15 1HG ABA 15 -1.961 -2.618 -4.352 92 2HG ABA 15 2HG ABA 15 -0.679 -1.405 -4.399 93 3HG ABA 15 3HG ABA 15 -2.254 -1.053 -5.115 94 1HN DHA 16 1HN DHA 16 -4.410 0.485 -2.013 95 2HB DHA 16 2HB DHA 16 -5.555 0.684 -5.126 96 3HB DHA 16 3HB DHA 16 -7.138 1.599 -4.760 97 H GLU 17 H GLU 17 -6.506 -0.135 -0.876 98 HA GLU 17 HA GLU 17 -8.931 1.372 -0.376 99 1HB GLU 17 1HB GLU 17 -8.646 -1.002 0.343 100 2HB GLU 17 2HB GLU 17 -7.380 -0.484 1.446 101 1HG GLU 17 1HG GLU 17 -9.441 -0.828 2.634 102 2HG GLU 17 2HG GLU 17 -9.005 0.880 2.661 103 H CYS 18 H CYS 18 -5.595 1.684 0.130 104 HA CYS 18 HA CYS 18 -5.998 3.863 2.058 105 1HB CYS 18 1HB CYS 18 -3.544 2.269 1.340 106 2HB CYS 18 2HB CYS 18 -3.464 3.775 2.237 107 H ILE 19 H ILE 19 -3.219 3.508 -0.014 108 HA ILE 19 HA ILE 19 -3.919 6.072 -1.208 109 HB ILE 19 HB ILE 19 -1.223 4.722 -1.228 110 1HG1 ILE 19 1HG1 ILE 19 -2.270 6.836 0.670 111 2HG1 ILE 19 2HG1 ILE 19 -2.049 5.139 1.081 112 1HG2 ILE 19 1HG2 ILE 19 -2.008 6.712 -2.816 113 2HG2 ILE 19 2HG2 ILE 19 -0.375 6.626 -2.153 114 3HG2 ILE 19 3HG2 ILE 19 -1.583 7.664 -1.393 115 1HD1 ILE 19 1HD1 ILE 19 0.361 5.393 0.617 116 2HD1 ILE 19 2HD1 ILE 19 -0.216 6.411 1.937 117 3HD1 ILE 19 3HD1 ILE 19 0.092 7.115 0.349 118 1HN TEE 20 1HN TEE 20 -2.689 2.890 -2.132 119 HB2 TEE 20 3HB TEE 20 -3.270 0.725 -3.616 120 HA TEE 20 3HA TEE 20 -4.194 2.503 -4.293 Start of MODEL 2 1 1H CYS 1 1H CYS 1 11.909 5.807 -1.177 2 2H CYS 1 2H CYS 1 10.264 6.184 -1.233 3 3H CYS 1 3H CYS 1 10.759 4.568 -1.094 4 HA CYS 1 HA CYS 1 11.973 5.709 1.009 5 1HB CYS 1 1HB CYS 1 10.784 7.407 1.907 6 2HB CYS 1 2HB CYS 1 10.310 7.664 0.237 7 1HN ABA 2 1HN ABA 2 8.684 3.245 1.314 8 HA ABA 2 HA ABA 2 9.051 4.686 -1.090 9 2HB ABA 2 2HB ABA 2 6.976 5.928 0.708 10 1HG ABA 2 1HG ABA 2 6.365 6.552 -1.385 11 2HG ABA 2 2HG ABA 2 7.996 6.379 -2.036 12 3HG ABA 2 3HG ABA 2 7.571 7.806 -1.089 13 H PHE 3 H PHE 3 6.118 4.435 0.886 14 HA PHE 3 HA PHE 3 5.230 1.991 -0.159 15 1HB PHE 3 1HB PHE 3 3.044 2.592 0.829 16 2HB PHE 3 2HB PHE 3 4.382 2.840 1.944 17 HD1 PHE 3 HD1 PHE 3 4.813 4.970 2.872 18 HD2 PHE 3 HD2 PHE 3 2.006 4.561 -0.299 19 HE1 PHE 3 HE1 PHE 3 4.062 7.279 3.243 20 HE2 PHE 3 HE2 PHE 3 1.247 6.871 0.074 21 HZ PHE 3 HZ PHE 3 2.293 8.237 1.858 22 1HN ABA 4 1HN ABA 4 3.431 1.548 -1.530 23 HA ABA 4 HA ABA 4 3.363 3.335 -3.834 24 2HB ABA 4 2HB ABA 4 1.165 3.030 -2.046 25 1HG ABA 4 1HG ABA 4 1.373 5.120 -2.934 26 2HG ABA 4 2HG ABA 4 0.126 4.470 -3.999 27 3HG ABA 4 3HG ABA 4 1.806 4.519 -4.533 28 H LEU 5 H LEU 5 4.893 1.540 -4.348 29 HA LEU 5 HA LEU 5 3.461 -0.857 -5.300 30 1HB LEU 5 1HB LEU 5 5.925 0.392 -6.530 31 2HB LEU 5 2HB LEU 5 5.099 -1.045 -7.101 32 HG LEU 5 HG LEU 5 3.058 0.600 -7.338 33 1HD1 LEU 5 1HD1 LEU 5 5.025 2.624 -8.120 34 2HD1 LEU 5 2HD1 LEU 5 4.847 2.400 -6.382 35 3HD1 LEU 5 3HD1 LEU 5 3.442 2.808 -7.366 36 1HD2 LEU 5 1HD2 LEU 5 3.877 -0.551 -9.222 37 2HD2 LEU 5 2HD2 LEU 5 5.406 0.324 -9.190 38 3HD2 LEU 5 3HD2 LEU 5 3.924 1.157 -9.658 39 HA PRO 6 HA PRO 6 6.622 -2.153 -2.266 40 1HB PRO 6 1HB PRO 6 5.112 -3.796 -0.813 41 2HB PRO 6 2HB PRO 6 4.946 -2.042 -0.671 42 1HG PRO 6 1HG PRO 6 3.241 -3.996 -2.156 43 2HG PRO 6 2HG PRO 6 2.752 -2.598 -1.181 44 1HD PRO 6 1HD PRO 6 2.942 -2.609 -3.942 45 2HD PRO 6 2HD PRO 6 3.003 -1.154 -2.929 46 H GLY 7 H GLY 7 7.685 -4.131 -1.825 47 1HA GLY 7 1HA GLY 7 7.108 -6.256 -3.798 48 2HA GLY 7 2HA GLY 7 8.709 -5.902 -3.161 49 H GLY 8 H GLY 8 7.536 -5.485 -0.446 50 1HA GLY 8 1HA GLY 8 6.227 -7.780 0.469 51 2HA GLY 8 2HA GLY 8 7.957 -8.078 0.570 52 H GLY 9 H GLY 9 6.381 -8.075 2.833 53 1HA GLY 9 1HA GLY 9 6.602 -7.296 4.993 54 2HA GLY 9 2HA GLY 9 7.768 -6.121 4.406 55 H GLY 10 H GLY 10 4.475 -6.433 3.209 56 1HA GLY 10 1HA GLY 10 2.672 -5.101 4.246 57 2HA GLY 10 2HA GLY 10 3.871 -3.838 4.488 58 H VAL 11 H VAL 11 1.351 -3.655 3.069 59 HA VAL 11 HA VAL 11 2.392 -3.013 0.389 60 HB VAL 11 HB VAL 11 -0.484 -3.733 1.002 61 1HG1 VAL 11 1HG1 VAL 11 -0.108 -4.198 -1.645 62 2HG1 VAL 11 2HG1 VAL 11 0.971 -2.824 -1.396 63 3HG1 VAL 11 3HG1 VAL 11 -0.739 -2.688 -0.986 64 1HG2 VAL 11 1HG2 VAL 11 1.542 -5.518 1.116 65 2HG2 VAL 11 2HG2 VAL 11 1.145 -5.584 -0.602 66 3HG2 VAL 11 3HG2 VAL 11 -0.098 -5.917 0.604 67 H CYS 12 H CYS 12 1.327 -1.203 -0.645 68 HA CYS 12 HA CYS 12 1.293 1.122 0.870 69 1HB CYS 12 1HB CYS 12 1.845 0.798 -1.522 70 2HB CYS 12 2HB CYS 12 0.146 0.576 -1.816 71 1HN ABA 13 1HN ABA 13 -0.260 0.529 2.555 72 HA ABA 13 HA ABA 13 -3.016 1.065 1.763 73 2HB ABA 13 2HB ABA 13 -2.227 0.650 4.622 74 1HG ABA 13 1HG ABA 13 -2.281 3.442 3.984 75 2HG ABA 13 2HG ABA 13 -1.040 2.628 3.032 76 3HG ABA 13 3HG ABA 13 -1.025 2.504 4.793 77 H LEU 14 H LEU 14 -3.347 -0.699 0.756 78 HA LEU 14 HA LEU 14 -2.722 -3.309 1.674 79 1HB LEU 14 1HB LEU 14 -4.856 -2.870 2.902 80 2HB LEU 14 2HB LEU 14 -5.649 -2.605 1.363 81 HG LEU 14 HG LEU 14 -5.099 -4.954 0.737 82 1HD1 LEU 14 1HD1 LEU 14 -4.684 -6.349 2.950 83 2HD1 LEU 14 2HD1 LEU 14 -3.866 -4.861 3.431 84 3HD1 LEU 14 3HD1 LEU 14 -3.352 -5.717 1.978 85 1HD2 LEU 14 1HD2 LEU 14 -7.274 -4.193 1.736 86 2HD2 LEU 14 2HD2 LEU 14 -6.673 -4.766 3.292 87 3HD2 LEU 14 3HD2 LEU 14 -6.895 -5.900 1.962 88 1HN ABA 15 1HN ABA 15 -4.177 -1.042 -0.444 89 HA ABA 15 HA ABA 15 -3.895 -2.802 -2.778 90 2HB ABA 15 2HB ABA 15 -2.244 -0.545 -2.179 91 1HG ABA 15 1HG ABA 15 -1.248 -2.313 -3.336 92 2HG ABA 15 2HG ABA 15 -1.429 -1.080 -4.581 93 3HG ABA 15 3HG ABA 15 -2.572 -2.421 -4.496 94 1HN DHA 16 1HN DHA 16 -4.675 0.549 -2.162 95 2HB DHA 16 2HB DHA 16 -5.986 0.492 -5.045 96 3HB DHA 16 3HB DHA 16 -7.495 1.531 -4.740 97 H GLU 17 H GLU 17 -6.866 0.166 -0.691 98 HA GLU 17 HA GLU 17 -9.164 1.930 -0.337 99 1HB GLU 17 1HB GLU 17 -9.174 -0.412 0.566 100 2HB GLU 17 2HB GLU 17 -7.891 0.061 1.670 101 1HG GLU 17 1HG GLU 17 -10.010 0.092 2.804 102 2HG GLU 17 2HG GLU 17 -9.385 1.736 2.662 103 H CYS 18 H CYS 18 -5.811 1.620 0.452 104 HA CYS 18 HA CYS 18 -5.822 3.956 2.203 105 1HB CYS 18 1HB CYS 18 -3.667 2.077 1.248 106 2HB CYS 18 2HB CYS 18 -3.279 3.590 2.052 107 H ILE 19 H ILE 19 -3.371 3.290 -0.195 108 HA ILE 19 HA ILE 19 -3.904 5.911 -1.356 109 HB ILE 19 HB ILE 19 -1.447 4.234 -1.839 110 1HG1 ILE 19 1HG1 ILE 19 -1.665 4.669 0.577 111 2HG1 ILE 19 2HG1 ILE 19 -0.316 5.560 -0.118 112 1HG2 ILE 19 1HG2 ILE 19 -1.761 7.221 -2.028 113 2HG2 ILE 19 2HG2 ILE 19 -2.084 6.142 -3.388 114 3HG2 ILE 19 3HG2 ILE 19 -0.469 6.210 -2.680 115 1HD1 ILE 19 1HD1 ILE 19 -2.929 6.941 0.086 116 2HD1 ILE 19 2HD1 ILE 19 -1.291 7.580 0.234 117 3HD1 ILE 19 3HD1 ILE 19 -2.008 6.671 1.565 118 1HN TEE 20 1HN TEE 20 -2.398 3.045 -2.755 119 HB2 TEE 20 3HB TEE 20 -2.448 0.868 -4.394 120 HA TEE 20 3HA TEE 20 -4.538 2.421 -4.578 Start of MODEL 3 1 1H CYS 1 1H CYS 1 11.272 4.488 -0.154 2 2H CYS 1 2H CYS 1 10.893 2.901 0.320 3 3H CYS 1 3H CYS 1 12.415 3.552 0.671 4 HA CYS 1 HA CYS 1 11.716 4.265 2.585 5 1HB CYS 1 1HB CYS 1 10.732 6.294 2.575 6 2HB CYS 1 2HB CYS 1 10.892 6.138 0.834 7 1HN ABA 2 1HN ABA 2 8.070 2.425 2.045 8 HA ABA 2 HA ABA 2 9.535 3.157 -0.265 9 2HB ABA 2 2HB ABA 2 7.324 5.091 0.445 10 1HG ABA 2 1HG ABA 2 7.583 4.854 -1.915 11 2HG ABA 2 2HG ABA 2 9.338 4.984 -1.794 12 3HG ABA 2 3HG ABA 2 8.322 6.385 -1.448 13 H PHE 3 H PHE 3 6.200 3.425 0.935 14 HA PHE 3 HA PHE 3 5.369 1.032 -0.302 15 1HB PHE 3 1HB PHE 3 3.036 1.923 0.336 16 2HB PHE 3 2HB PHE 3 4.177 1.584 1.626 17 HD1 PHE 3 HD1 PHE 3 3.756 3.012 3.357 18 HD2 PHE 3 HD2 PHE 3 3.763 4.561 -0.606 19 HE1 PHE 3 HE1 PHE 3 3.447 5.282 4.248 20 HE2 PHE 3 HE2 PHE 3 3.455 6.835 0.279 21 HZ PHE 3 HZ PHE 3 3.297 7.198 2.710 22 1HN ABA 4 1HN ABA 4 2.943 1.491 -1.380 23 HA ABA 4 HA ABA 4 3.530 2.962 -3.855 24 2HB ABA 4 2HB ABA 4 1.021 2.716 -2.272 25 1HG ABA 4 1HG ABA 4 1.860 4.841 -2.142 26 2HG ABA 4 2HG ABA 4 0.762 5.013 -3.513 27 3HG ABA 4 3HG ABA 4 2.493 4.810 -3.788 28 H LEU 5 H LEU 5 4.604 1.131 -4.668 29 HA LEU 5 HA LEU 5 2.966 -1.294 -4.982 30 1HB LEU 5 1HB LEU 5 4.872 -0.147 -7.034 31 2HB LEU 5 2HB LEU 5 4.106 -1.720 -7.146 32 HG LEU 5 HG LEU 5 2.638 0.919 -7.133 33 1HD1 LEU 5 1HD1 LEU 5 2.267 0.544 -9.489 34 2HD1 LEU 5 2HD1 LEU 5 3.181 -0.963 -9.419 35 3HD1 LEU 5 3HD1 LEU 5 3.998 0.576 -9.151 36 1HD2 LEU 5 1HD2 LEU 5 0.899 -0.358 -6.562 37 2HD2 LEU 5 2HD2 LEU 5 1.786 -1.851 -6.868 38 3HD2 LEU 5 3HD2 LEU 5 0.994 -1.008 -8.200 39 HA PRO 6 HA PRO 6 7.000 -1.892 -2.738 40 1HB PRO 6 1HB PRO 6 5.391 -3.481 -0.869 41 2HB PRO 6 2HB PRO 6 6.444 -2.101 -0.551 42 1HG PRO 6 1HG PRO 6 3.766 -1.914 -0.374 43 2HG PRO 6 2HG PRO 6 4.766 -0.560 -0.937 44 1HD PRO 6 1HD PRO 6 3.160 -2.524 -2.536 45 2HD PRO 6 2HD PRO 6 3.303 -0.764 -2.732 46 H GLY 7 H GLY 7 4.895 -4.630 -2.005 47 1HA GLY 7 1HA GLY 7 5.010 -6.601 -3.553 48 2HA GLY 7 2HA GLY 7 6.746 -6.319 -3.566 49 H GLY 8 H GLY 8 6.577 -5.567 -0.635 50 1HA GLY 8 1HA GLY 8 5.655 -7.823 0.810 51 2HA GLY 8 2HA GLY 8 7.362 -8.009 0.438 52 H GLY 9 H GLY 9 6.191 -7.792 3.044 53 1HA GLY 9 1HA GLY 9 6.815 -6.830 5.038 54 2HA GLY 9 2HA GLY 9 7.978 -5.863 4.143 55 H GLY 10 H GLY 10 4.579 -5.835 3.378 56 1HA GLY 10 1HA GLY 10 3.071 -4.215 4.539 57 2HA GLY 10 2HA GLY 10 4.425 -3.094 4.479 58 H VAL 11 H VAL 11 1.625 -3.146 3.297 59 HA VAL 11 HA VAL 11 2.401 -2.696 0.487 60 HB VAL 11 HB VAL 11 -0.446 -3.137 1.360 61 1HG1 VAL 11 1HG1 VAL 11 -0.424 -4.139 -1.043 62 2HG1 VAL 11 2HG1 VAL 11 1.071 -3.219 -1.213 63 3HG1 VAL 11 3HG1 VAL 11 -0.435 -2.387 -0.825 64 1HG2 VAL 11 1HG2 VAL 11 0.767 -5.064 2.204 65 2HG2 VAL 11 2HG2 VAL 11 1.535 -5.292 0.633 66 3HG2 VAL 11 3HG2 VAL 11 -0.205 -5.522 0.803 67 H CYS 12 H CYS 12 0.933 -1.054 -0.607 68 HA CYS 12 HA CYS 12 1.095 1.429 0.764 69 1HB CYS 12 1HB CYS 12 1.428 0.753 -1.712 70 2HB CYS 12 2HB CYS 12 -0.302 0.891 -1.776 71 1HN ABA 13 1HN ABA 13 -0.391 0.563 2.523 72 HA ABA 13 HA ABA 13 -3.177 1.150 1.853 73 2HB ABA 13 2HB ABA 13 -2.401 0.499 4.654 74 1HG ABA 13 1HG ABA 13 -2.194 3.336 4.229 75 2HG ABA 13 2HG ABA 13 -0.997 2.476 3.258 76 3HG ABA 13 3HG ABA 13 -1.054 2.232 5.003 77 H LEU 14 H LEU 14 -3.407 -0.628 0.677 78 HA LEU 14 HA LEU 14 -2.794 -3.244 1.586 79 1HB LEU 14 1HB LEU 14 -4.972 -2.906 2.721 80 2HB LEU 14 2HB LEU 14 -5.712 -2.559 1.170 81 HG LEU 14 HG LEU 14 -5.171 -4.860 0.427 82 1HD1 LEU 14 1HD1 LEU 14 -3.717 -4.859 2.952 83 2HD1 LEU 14 2HD1 LEU 14 -3.530 -5.890 1.534 84 3HD1 LEU 14 3HD1 LEU 14 -4.756 -6.268 2.744 85 1HD2 LEU 14 1HD2 LEU 14 -6.969 -5.875 1.526 86 2HD2 LEU 14 2HD2 LEU 14 -7.327 -4.150 1.597 87 3HD2 LEU 14 3HD2 LEU 14 -6.681 -4.975 3.015 88 1HN ABA 15 1HN ABA 15 -4.059 -0.974 -0.618 89 HA ABA 15 HA ABA 15 -3.715 -2.759 -2.927 90 2HB ABA 15 2HB ABA 15 -2.138 -0.454 -2.247 91 1HG ABA 15 1HG ABA 15 -1.572 -2.686 -3.490 92 2HG ABA 15 2HG ABA 15 -0.718 -1.206 -3.925 93 3HG ABA 15 3HG ABA 15 -2.050 -1.782 -4.928 94 1HN DHA 16 1HN DHA 16 -4.559 0.530 -2.160 95 2HB DHA 16 2HB DHA 16 -5.869 0.685 -5.098 96 3HB DHA 16 3HB DHA 16 -7.399 1.660 -4.693 97 H GLU 17 H GLU 17 -6.585 0.039 -0.757 98 HA GLU 17 HA GLU 17 -9.025 1.497 -0.192 99 1HB GLU 17 1HB GLU 17 -8.673 -0.776 0.674 100 2HB GLU 17 2HB GLU 17 -7.257 -0.229 1.556 101 1HG GLU 17 1HG GLU 17 -8.772 1.315 2.826 102 2HG GLU 17 2HG GLU 17 -10.128 0.487 2.059 103 H CYS 18 H CYS 18 -5.626 1.607 0.624 104 HA CYS 18 HA CYS 18 -5.963 3.993 2.272 105 1HB CYS 18 1HB CYS 18 -3.395 2.653 1.418 106 2HB CYS 18 2HB CYS 18 -3.601 3.816 2.714 107 H ILE 19 H ILE 19 -3.412 3.325 -0.030 108 HA ILE 19 HA ILE 19 -3.949 5.903 -1.244 109 HB ILE 19 HB ILE 19 -1.446 4.236 -1.446 110 1HG1 ILE 19 1HG1 ILE 19 -2.029 6.701 0.208 111 2HG1 ILE 19 2HG1 ILE 19 -1.908 5.064 0.841 112 1HG2 ILE 19 1HG2 ILE 19 -0.422 6.075 -2.516 113 2HG2 ILE 19 2HG2 ILE 19 -1.778 7.142 -2.150 114 3HG2 ILE 19 3HG2 ILE 19 -1.968 5.846 -3.333 115 1HD1 ILE 19 1HD1 ILE 19 0.474 5.204 -0.317 116 2HD1 ILE 19 2HD1 ILE 19 0.180 5.798 1.317 117 3HD1 ILE 19 3HD1 ILE 19 0.215 6.926 -0.039 118 1HN TEE 20 1HN TEE 20 -2.286 3.158 -2.681 119 HB2 TEE 20 3HB TEE 20 -3.668 0.746 -3.980 120 HA TEE 20 3HA TEE 20 -4.411 2.529 -4.508 Start of MODEL 4 1 1H CYS 1 1H CYS 1 9.649 -0.511 2.615 2 2H CYS 1 2H CYS 1 9.090 -0.833 1.046 3 3H CYS 1 3H CYS 1 7.987 -0.473 2.287 4 HA CYS 1 HA CYS 1 8.085 1.494 1.162 5 1HB CYS 1 1HB CYS 1 8.460 1.899 3.504 6 2HB CYS 1 2HB CYS 1 10.182 1.573 3.326 7 1HN ABA 2 1HN ABA 2 10.612 2.613 -0.998 8 HA ABA 2 HA ABA 2 8.856 4.048 -1.051 9 2HB ABA 2 2HB ABA 2 7.543 4.415 1.092 10 1HG ABA 2 1HG ABA 2 10.552 4.624 1.255 11 2HG ABA 2 2HG ABA 2 9.396 5.540 2.224 12 3HG ABA 2 3HG ABA 2 9.474 5.786 0.480 13 H PHE 3 H PHE 3 6.291 3.767 0.278 14 HA PHE 3 HA PHE 3 5.285 1.159 -0.401 15 1HB PHE 3 1HB PHE 3 3.073 2.156 0.328 16 2HB PHE 3 2HB PHE 3 4.340 2.116 1.539 17 HD1 PHE 3 HD1 PHE 3 4.597 3.936 2.846 18 HD2 PHE 3 HD2 PHE 3 3.043 4.455 -1.077 19 HE1 PHE 3 HE1 PHE 3 4.270 6.327 3.297 20 HE2 PHE 3 HE2 PHE 3 2.718 6.851 -0.636 21 HZ PHE 3 HZ PHE 3 3.320 7.786 1.560 22 1HN ABA 4 1HN ABA 4 2.700 2.048 -1.318 23 HA ABA 4 HA ABA 4 3.233 3.093 -3.984 24 2HB ABA 4 2HB ABA 4 0.802 2.736 -2.320 25 1HG ABA 4 1HG ABA 4 2.121 4.807 -3.929 26 2HG ABA 4 2HG ABA 4 1.206 4.946 -2.427 27 3HG ABA 4 3HG ABA 4 0.359 4.835 -3.972 28 H LEU 5 H LEU 5 4.532 1.315 -4.608 29 HA LEU 5 HA LEU 5 3.167 -1.276 -4.774 30 1HB LEU 5 1HB LEU 5 4.868 -0.004 -6.919 31 2HB LEU 5 2HB LEU 5 4.444 -1.704 -6.902 32 HG LEU 5 HG LEU 5 2.482 0.582 -7.104 33 1HD1 LEU 5 1HD1 LEU 5 3.507 0.529 -9.177 34 2HD1 LEU 5 2HD1 LEU 5 2.141 -0.567 -9.398 35 3HD1 LEU 5 3HD1 LEU 5 3.757 -1.217 -9.123 36 1HD2 LEU 5 1HD2 LEU 5 1.978 -1.873 -6.074 37 2HD2 LEU 5 2HD2 LEU 5 1.672 -2.158 -7.788 38 3HD2 LEU 5 3HD2 LEU 5 0.792 -0.891 -6.935 39 HA PRO 6 HA PRO 6 7.123 -1.395 -2.414 40 1HB PRO 6 1HB PRO 6 5.711 -3.416 -0.810 41 2HB PRO 6 2HB PRO 6 6.488 -1.916 -0.300 42 1HG PRO 6 1HG PRO 6 3.818 -2.189 -0.313 43 2HG PRO 6 2HG PRO 6 4.611 -0.648 -0.690 44 1HD PRO 6 1HD PRO 6 3.430 -2.676 -2.558 45 2HD PRO 6 2HD PRO 6 3.321 -0.903 -2.609 46 H GLY 7 H GLY 7 5.628 -4.568 -1.992 47 1HA GLY 7 1HA GLY 7 6.098 -6.522 -3.254 48 2HA GLY 7 2HA GLY 7 7.455 -5.686 -3.997 49 H GLY 8 H GLY 8 6.570 -6.083 -0.579 50 1HA GLY 8 1HA GLY 8 8.584 -8.002 -0.008 51 2HA GLY 8 2HA GLY 8 9.175 -6.385 0.329 52 H GLY 9 H GLY 9 8.164 -5.143 1.983 53 1HA GLY 9 1HA GLY 9 6.686 -6.852 3.894 54 2HA GLY 9 2HA GLY 9 7.876 -5.650 4.371 55 H GLY 10 H GLY 10 4.615 -6.179 3.224 56 1HA GLY 10 1HA GLY 10 2.831 -4.854 4.135 57 2HA GLY 10 2HA GLY 10 3.938 -3.491 4.217 58 H VAL 11 H VAL 11 1.360 -3.387 3.053 59 HA VAL 11 HA VAL 11 2.115 -2.927 0.245 60 HB VAL 11 HB VAL 11 -0.731 -3.423 1.127 61 1HG1 VAL 11 1HG1 VAL 11 -0.985 -2.542 -0.940 62 2HG1 VAL 11 2HG1 VAL 11 -0.575 -4.176 -1.462 63 3HG1 VAL 11 3HG1 VAL 11 0.670 -2.923 -1.425 64 1HG2 VAL 11 1HG2 VAL 11 0.950 -5.373 1.505 65 2HG2 VAL 11 2HG2 VAL 11 0.898 -5.518 -0.251 66 3HG2 VAL 11 3HG2 VAL 11 -0.581 -5.691 0.691 67 H CYS 12 H CYS 12 0.930 -1.143 -0.758 68 HA CYS 12 HA CYS 12 1.125 1.236 0.726 69 1HB CYS 12 1HB CYS 12 1.532 0.786 -1.700 70 2HB CYS 12 2HB CYS 12 -0.196 0.723 -1.876 71 1HN ABA 13 1HN ABA 13 -0.404 0.567 2.468 72 HA ABA 13 HA ABA 13 -3.154 1.286 1.791 73 2HB ABA 13 2HB ABA 13 -2.213 0.691 4.583 74 1HG ABA 13 1HG ABA 13 -0.831 2.451 4.460 75 2HG ABA 13 2HG ABA 13 -2.299 3.425 4.467 76 3HG ABA 13 3HG ABA 13 -1.529 3.008 2.938 77 H LEU 14 H LEU 14 -3.509 -0.499 0.649 78 HA LEU 14 HA LEU 14 -3.134 -3.142 1.683 79 1HB LEU 14 1HB LEU 14 -5.274 -2.505 2.739 80 2HB LEU 14 2HB LEU 14 -5.928 -2.115 1.163 81 HG LEU 14 HG LEU 14 -5.684 -4.509 0.516 82 1HD1 LEU 14 1HD1 LEU 14 -5.575 -5.655 3.106 83 2HD1 LEU 14 2HD1 LEU 14 -4.169 -4.604 2.908 84 3HD1 LEU 14 3HD1 LEU 14 -4.477 -5.892 1.743 85 1HD2 LEU 14 1HD2 LEU 14 -7.426 -5.225 2.429 86 2HD2 LEU 14 2HD2 LEU 14 -7.846 -4.197 1.058 87 3HD2 LEU 14 3HD2 LEU 14 -7.466 -3.471 2.620 88 1HN ABA 15 1HN ABA 15 -3.675 -0.857 -0.721 89 HA ABA 15 HA ABA 15 -3.844 -2.885 -2.839 90 2HB ABA 15 2HB ABA 15 -2.501 -0.237 -3.298 91 1HG ABA 15 1HG ABA 15 -2.089 -2.962 -4.525 92 2HG ABA 15 2HG ABA 15 -1.352 -1.449 -5.055 93 3HG ABA 15 3HG ABA 15 -3.094 -1.684 -5.206 94 1HN DHA 16 1HN DHA 16 -4.510 0.370 -1.813 95 2HB DHA 16 2HB DHA 16 -5.550 1.017 -4.900 96 3HB DHA 16 3HB DHA 16 -7.088 1.982 -4.467 97 H GLU 17 H GLU 17 -6.504 -0.042 -0.644 98 HA GLU 17 HA GLU 17 -8.950 1.436 -0.160 99 1HB GLU 17 1HB GLU 17 -8.479 -0.984 0.581 100 2HB GLU 17 2HB GLU 17 -7.501 -0.268 1.857 101 1HG GLU 17 1HG GLU 17 -9.773 -0.791 2.607 102 2HG GLU 17 2HG GLU 17 -9.421 0.938 2.701 103 H CYS 18 H CYS 18 -5.643 1.757 0.343 104 HA CYS 18 HA CYS 18 -6.033 4.010 2.200 105 1HB CYS 18 1HB CYS 18 -3.417 2.741 1.397 106 2HB CYS 18 2HB CYS 18 -3.670 3.927 2.662 107 H ILE 19 H ILE 19 -3.420 3.378 -0.053 108 HA ILE 19 HA ILE 19 -4.141 5.837 -1.431 109 HB ILE 19 HB ILE 19 -1.441 4.495 -1.430 110 1HG1 ILE 19 1HG1 ILE 19 -2.393 6.915 0.130 111 2HG1 ILE 19 2HG1 ILE 19 -2.096 5.320 0.815 112 1HG2 ILE 19 1HG2 ILE 19 -1.849 5.867 -3.402 113 2HG2 ILE 19 2HG2 ILE 19 -0.659 6.634 -2.350 114 3HG2 ILE 19 3HG2 ILE 19 -2.322 7.224 -2.379 115 1HD1 ILE 19 1HD1 ILE 19 -0.234 6.728 1.298 116 2HD1 ILE 19 2HD1 ILE 19 -0.072 7.180 -0.400 117 3HD1 ILE 19 3HD1 ILE 19 0.273 5.528 0.109 118 1HN TEE 20 1HN TEE 20 -2.058 3.243 -2.563 119 HB2 TEE 20 3HB TEE 20 -3.612 0.732 -5.042 120 HA TEE 20 3HA TEE 20 -4.057 2.508 -4.358 Start of MODEL 5 1 1H CYS 1 1H CYS 1 12.217 7.508 -0.321 2 2H CYS 1 2H CYS 1 12.607 5.979 -0.940 3 3H CYS 1 3H CYS 1 12.032 6.130 0.648 4 HA CYS 1 HA CYS 1 10.070 7.315 -0.763 5 1HB CYS 1 1HB CYS 1 11.545 6.261 -2.702 6 2HB CYS 1 2HB CYS 1 10.660 4.804 -2.273 7 1HN ABA 2 1HN ABA 2 8.368 3.971 0.179 8 HA ABA 2 HA ABA 2 9.185 4.423 -2.452 9 2HB ABA 2 2HB ABA 2 6.918 6.255 -1.673 10 1HG ABA 2 1HG ABA 2 6.605 6.107 -3.892 11 2HG ABA 2 2HG ABA 2 8.221 5.463 -4.181 12 3HG ABA 2 3HG ABA 2 7.982 7.202 -3.995 13 H PHE 3 H PHE 3 6.393 4.202 -0.283 14 HA PHE 3 HA PHE 3 5.590 1.712 -1.338 15 1HB PHE 3 1HB PHE 3 3.509 2.070 0.055 16 2HB PHE 3 2HB PHE 3 5.034 2.123 0.921 17 HD1 PHE 3 HD1 PHE 3 4.275 3.305 2.805 18 HD2 PHE 3 HD2 PHE 3 3.697 4.936 -1.085 19 HE1 PHE 3 HE1 PHE 3 3.629 5.459 3.801 20 HE2 PHE 3 HE2 PHE 3 3.056 7.089 -0.092 21 HZ PHE 3 HZ PHE 3 3.020 7.352 2.351 22 1HN ABA 4 1HN ABA 4 3.332 1.257 -2.079 23 HA ABA 4 HA ABA 4 2.736 2.918 -4.385 24 2HB ABA 4 2HB ABA 4 1.078 2.886 -1.980 25 1HG ABA 4 1HG ABA 4 1.051 4.525 -4.508 26 2HG ABA 4 2HG ABA 4 1.851 4.936 -2.988 27 3HG ABA 4 3HG ABA 4 0.091 4.868 -3.069 28 H LEU 5 H LEU 5 3.895 0.490 -4.491 29 HA LEU 5 HA LEU 5 1.905 -1.591 -4.638 30 1HB LEU 5 1HB LEU 5 2.303 -2.178 -6.978 31 2HB LEU 5 2HB LEU 5 1.561 -0.604 -6.815 32 HG LEU 5 HG LEU 5 4.528 -0.881 -7.235 33 1HD1 LEU 5 1HD1 LEU 5 2.304 -1.106 -9.212 34 2HD1 LEU 5 2HD1 LEU 5 3.820 -2.001 -9.122 35 3HD1 LEU 5 3HD1 LEU 5 3.816 -0.329 -9.680 36 1HD2 LEU 5 1HD2 LEU 5 4.260 1.361 -8.212 37 2HD2 LEU 5 2HD2 LEU 5 3.732 1.304 -6.531 38 3HD2 LEU 5 3HD2 LEU 5 2.539 1.310 -7.828 39 HA PRO 6 HA PRO 6 5.961 -3.265 -3.575 40 1HB PRO 6 1HB PRO 6 5.317 -4.274 -1.218 41 2HB PRO 6 2HB PRO 6 5.359 -2.520 -1.441 42 1HG PRO 6 1HG PRO 6 3.018 -4.352 -1.260 43 2HG PRO 6 2HG PRO 6 3.184 -2.681 -0.696 44 1HD PRO 6 1HD PRO 6 2.009 -3.561 -3.131 45 2HD PRO 6 2HD PRO 6 2.343 -1.887 -2.647 46 H GLY 7 H GLY 7 6.298 -5.581 -2.272 47 1HA GLY 7 1HA GLY 7 4.785 -7.592 -3.830 48 2HA GLY 7 2HA GLY 7 6.509 -7.736 -3.530 49 H GLY 8 H GLY 8 6.263 -6.718 -0.790 50 1HA GLY 8 1HA GLY 8 4.486 -8.223 0.767 51 2HA GLY 8 2HA GLY 8 5.952 -9.170 0.553 52 H GLY 9 H GLY 9 5.156 -8.358 3.067 53 1HA GLY 9 1HA GLY 9 6.243 -7.534 4.943 54 2HA GLY 9 2HA GLY 9 7.475 -6.858 3.889 55 H GLY 10 H GLY 10 4.002 -6.286 3.752 56 1HA GLY 10 1HA GLY 10 2.984 -4.329 4.800 57 2HA GLY 10 2HA GLY 10 4.512 -3.492 4.558 58 H VAL 11 H VAL 11 1.568 -3.231 3.579 59 HA VAL 11 HA VAL 11 2.311 -2.791 0.761 60 HB VAL 11 HB VAL 11 -0.514 -3.364 1.665 61 1HG1 VAL 11 1HG1 VAL 11 -0.196 -4.161 -0.958 62 2HG1 VAL 11 2HG1 VAL 11 0.775 -2.691 -0.854 63 3HG1 VAL 11 3HG1 VAL 11 -0.933 -2.655 -0.410 64 1HG2 VAL 11 1HG2 VAL 11 0.768 -5.505 0.181 65 2HG2 VAL 11 2HG2 VAL 11 -0.198 -5.571 1.654 66 3HG2 VAL 11 3HG2 VAL 11 1.528 -5.222 1.747 67 H CYS 12 H CYS 12 1.267 -1.038 -0.283 68 HA CYS 12 HA CYS 12 1.216 1.381 1.132 69 1HB CYS 12 1HB CYS 12 1.833 0.937 -1.228 70 2HB CYS 12 2HB CYS 12 0.144 0.681 -1.552 71 1HN ABA 13 1HN ABA 13 -0.417 0.615 2.784 72 HA ABA 13 HA ABA 13 -3.124 1.227 1.890 73 2HB ABA 13 2HB ABA 13 -2.420 0.614 4.743 74 1HG ABA 13 1HG ABA 13 -2.453 3.284 4.820 75 2HG ABA 13 2HG ABA 13 -1.757 3.062 3.215 76 3HG ABA 13 3HG ABA 13 -0.968 2.351 4.624 77 H LEU 14 H LEU 14 -3.308 -0.533 0.687 78 HA LEU 14 HA LEU 14 -2.863 -3.167 1.632 79 1HB LEU 14 1HB LEU 14 -5.197 -2.470 2.530 80 2HB LEU 14 2HB LEU 14 -5.717 -2.589 0.863 81 HG LEU 14 HG LEU 14 -6.166 -4.594 2.373 82 1HD1 LEU 14 1HD1 LEU 14 -6.493 -4.916 0.073 83 2HD1 LEU 14 2HD1 LEU 14 -5.433 -6.234 0.575 84 3HD1 LEU 14 3HD1 LEU 14 -4.763 -4.839 -0.269 85 1HD2 LEU 14 1HD2 LEU 14 -4.511 -5.819 3.251 86 2HD2 LEU 14 2HD2 LEU 14 -3.538 -4.365 3.024 87 3HD2 LEU 14 3HD2 LEU 14 -3.494 -5.653 1.820 88 1HN ABA 15 1HN ABA 15 -3.910 -0.847 -0.679 89 HA ABA 15 HA ABA 15 -3.432 -2.699 -2.904 90 2HB ABA 15 2HB ABA 15 -2.529 0.155 -3.131 91 1HG ABA 15 1HG ABA 15 -0.867 -0.901 -4.650 92 2HG ABA 15 2HG ABA 15 -2.539 -1.169 -5.140 93 3HG ABA 15 3HG ABA 15 -1.635 -2.459 -4.346 94 1HN DHA 16 1HN DHA 16 -4.449 0.569 -2.139 95 2HB DHA 16 2HB DHA 16 -5.602 0.727 -5.230 96 3HB DHA 16 3HB DHA 16 -7.205 1.614 -4.875 97 H GLU 17 H GLU 17 -6.513 -0.083 -0.963 98 HA GLU 17 HA GLU 17 -8.985 1.348 -0.473 99 1HB GLU 17 1HB GLU 17 -8.693 -0.969 0.306 100 2HB GLU 17 2HB GLU 17 -7.332 -0.468 1.297 101 1HG GLU 17 1HG GLU 17 -8.818 0.921 2.643 102 2HG GLU 17 2HG GLU 17 -10.185 0.416 1.649 103 H CYS 18 H CYS 18 -5.619 1.513 0.363 104 HA CYS 18 HA CYS 18 -6.058 3.804 2.123 105 1HB CYS 18 1HB CYS 18 -3.560 2.281 1.389 106 2HB CYS 18 2HB CYS 18 -3.561 3.732 2.377 107 H ILE 19 H ILE 19 -3.213 3.572 0.157 108 HA ILE 19 HA ILE 19 -3.936 6.115 -1.024 109 HB ILE 19 HB ILE 19 -1.269 4.704 -1.084 110 1HG1 ILE 19 1HG1 ILE 19 -2.247 6.939 0.710 111 2HG1 ILE 19 2HG1 ILE 19 -2.038 5.263 1.206 112 1HG2 ILE 19 1HG2 ILE 19 -2.279 7.053 -2.409 113 2HG2 ILE 19 2HG2 ILE 19 -0.713 6.258 -2.575 114 3HG2 ILE 19 3HG2 ILE 19 -0.956 7.476 -1.320 115 1HD1 ILE 19 1HD1 ILE 19 -0.203 6.927 1.802 116 2HD1 ILE 19 2HD1 ILE 19 0.240 6.854 0.097 117 3HD1 ILE 19 3HD1 ILE 19 0.283 5.392 1.081 118 1HN TEE 20 1HN TEE 20 -2.744 2.955 -2.076 119 HB2 TEE 20 3HB TEE 20 -3.652 0.813 -3.980 120 HA TEE 20 3HA TEE 20 -4.297 2.607 -4.292 Start of MODEL 6 1 1H CYS 1 1H CYS 1 13.263 6.176 -1.108 2 2H CYS 1 2H CYS 1 13.136 4.572 -0.575 3 3H CYS 1 3H CYS 1 13.116 5.844 0.548 4 HA CYS 1 HA CYS 1 11.017 6.602 -0.195 5 1HB CYS 1 1HB CYS 1 11.800 5.816 -2.595 6 2HB CYS 1 2HB CYS 1 10.901 4.363 -2.184 7 1HN ABA 2 1HN ABA 2 9.210 3.261 0.623 8 HA ABA 2 HA ABA 2 9.477 4.136 -2.026 9 2HB ABA 2 2HB ABA 2 7.585 5.850 -0.416 10 1HG ABA 2 1HG ABA 2 8.024 7.150 -2.751 11 2HG ABA 2 2HG ABA 2 6.676 6.050 -2.465 12 3HG ABA 2 3HG ABA 2 8.128 5.470 -3.280 13 H PHE 3 H PHE 3 6.596 4.337 0.083 14 HA PHE 3 HA PHE 3 5.700 1.734 -0.617 15 1HB PHE 3 1HB PHE 3 3.505 2.468 0.366 16 2HB PHE 3 2HB PHE 3 4.889 2.588 1.435 17 HD1 PHE 3 HD1 PHE 3 3.841 4.168 2.947 18 HD2 PHE 3 HD2 PHE 3 4.224 5.027 -1.201 19 HE1 PHE 3 HE1 PHE 3 3.301 6.525 3.390 20 HE2 PHE 3 HE2 PHE 3 3.679 7.386 -0.766 21 HZ PHE 3 HZ PHE 3 3.095 8.080 1.659 22 1HN ABA 4 1HN ABA 4 3.238 1.676 -1.425 23 HA ABA 4 HA ABA 4 3.258 3.015 -4.039 24 2HB ABA 4 2HB ABA 4 1.119 2.817 -2.029 25 1HG ABA 4 1HG ABA 4 1.593 4.988 -2.493 26 2HG ABA 4 2HG ABA 4 0.337 4.729 -3.702 27 3HG ABA 4 3HG ABA 4 2.035 4.651 -4.167 28 H LEU 5 H LEU 5 4.464 1.160 -4.762 29 HA LEU 5 HA LEU 5 2.901 -1.329 -4.879 30 1HB LEU 5 1HB LEU 5 4.572 -0.209 -7.139 31 2HB LEU 5 2HB LEU 5 3.746 -1.754 -7.146 32 HG LEU 5 HG LEU 5 2.425 0.962 -7.086 33 1HD1 LEU 5 1HD1 LEU 5 3.504 -0.457 -9.216 34 2HD1 LEU 5 2HD1 LEU 5 2.348 0.871 -9.305 35 3HD1 LEU 5 3HD1 LEU 5 1.774 -0.796 -9.284 36 1HD2 LEU 5 1HD2 LEU 5 1.279 -1.824 -7.020 37 2HD2 LEU 5 2HD2 LEU 5 0.341 -0.396 -7.457 38 3HD2 LEU 5 3HD2 LEU 5 1.046 -0.529 -5.847 39 HA PRO 6 HA PRO 6 7.075 -1.978 -3.014 40 1HB PRO 6 1HB PRO 6 5.632 -3.878 -1.306 41 2HB PRO 6 2HB PRO 6 6.629 -2.495 -0.849 42 1HG PRO 6 1HG PRO 6 3.953 -2.480 -0.547 43 2HG PRO 6 2HG PRO 6 4.860 -1.014 -0.966 44 1HD PRO 6 1HD PRO 6 3.272 -2.834 -2.742 45 2HD PRO 6 2HD PRO 6 3.332 -1.057 -2.715 46 H GLY 7 H GLY 7 5.136 -4.914 -2.557 47 1HA GLY 7 1HA GLY 7 5.332 -6.493 -4.599 48 2HA GLY 7 2HA GLY 7 7.053 -6.316 -4.296 49 H GLY 8 H GLY 8 6.650 -6.236 -1.371 50 1HA GLY 8 1HA GLY 8 5.383 -8.676 -0.599 51 2HA GLY 8 2HA GLY 8 7.129 -8.860 -0.714 52 H GLY 9 H GLY 9 5.272 -8.946 1.603 53 1HA GLY 9 1HA GLY 9 5.987 -8.481 3.848 54 2HA GLY 9 2HA GLY 9 6.703 -6.982 3.271 55 H GLY 10 H GLY 10 5.454 -5.178 3.027 56 1HA GLY 10 1HA GLY 10 2.653 -5.417 3.940 57 2HA GLY 10 2HA GLY 10 3.675 -4.044 4.349 58 H VAL 11 H VAL 11 1.160 -3.879 2.982 59 HA VAL 11 HA VAL 11 2.062 -3.108 0.289 60 HB VAL 11 HB VAL 11 -0.828 -3.500 1.009 61 1HG1 VAL 11 1HG1 VAL 11 0.676 -2.851 -1.362 62 2HG1 VAL 11 2HG1 VAL 11 -1.069 -2.828 -1.096 63 3HG1 VAL 11 3HG1 VAL 11 -0.276 -4.319 -1.608 64 1HG2 VAL 11 1HG2 VAL 11 -0.432 -5.662 1.409 65 2HG2 VAL 11 2HG2 VAL 11 1.217 -5.565 0.792 66 3HG2 VAL 11 3HG2 VAL 11 -0.129 -5.799 -0.324 67 H CYS 12 H CYS 12 1.083 -1.240 -0.640 68 HA CYS 12 HA CYS 12 1.258 1.068 0.932 69 1HB CYS 12 1HB CYS 12 1.757 0.709 -1.483 70 2HB CYS 12 2HB CYS 12 0.041 0.670 -1.746 71 1HN ABA 13 1HN ABA 13 -0.343 0.568 2.616 72 HA ABA 13 HA ABA 13 -3.055 1.292 1.810 73 2HB ABA 13 2HB ABA 13 -3.589 1.820 3.994 74 1HG ABA 13 1HG ABA 13 -0.746 2.397 4.512 75 2HG ABA 13 2HG ABA 13 -2.142 3.477 4.497 76 3HG ABA 13 3HG ABA 13 -1.383 2.992 2.980 77 H LEU 14 H LEU 14 -3.348 -0.489 0.699 78 HA LEU 14 HA LEU 14 -2.991 -3.108 1.707 79 1HB LEU 14 1HB LEU 14 -5.180 -2.532 2.751 80 2HB LEU 14 2HB LEU 14 -5.832 -2.221 1.154 81 HG LEU 14 HG LEU 14 -5.520 -4.576 0.557 82 1HD1 LEU 14 1HD1 LEU 14 -4.218 -5.961 1.705 83 2HD1 LEU 14 2HD1 LEU 14 -5.075 -5.611 3.206 84 3HD1 LEU 14 3HD1 LEU 14 -3.736 -4.583 2.698 85 1HD2 LEU 14 1HD2 LEU 14 -7.134 -3.789 2.931 86 2HD2 LEU 14 2HD2 LEU 14 -7.090 -5.486 2.452 87 3HD2 LEU 14 3HD2 LEU 14 -7.662 -4.262 1.316 88 1HN ABA 15 1HN ABA 15 -3.765 -0.777 -0.596 89 HA ABA 15 HA ABA 15 -3.489 -2.652 -2.852 90 2HB ABA 15 2HB ABA 15 -2.041 -0.260 -2.228 91 1HG ABA 15 1HG ABA 15 -2.020 -1.743 -4.852 92 2HG ABA 15 2HG ABA 15 -1.228 -2.357 -3.401 93 3HG ABA 15 3HG ABA 15 -0.705 -0.832 -4.114 94 1HN DHA 16 1HN DHA 16 -4.507 0.602 -2.182 95 2HB DHA 16 2HB DHA 16 -5.857 0.643 -5.092 96 3HB DHA 16 3HB DHA 16 -7.437 1.528 -4.674 97 H GLU 17 H GLU 17 -6.570 -0.112 -0.784 98 HA GLU 17 HA GLU 17 -9.012 1.326 -0.180 99 1HB GLU 17 1HB GLU 17 -8.599 -1.013 0.594 100 2HB GLU 17 2HB GLU 17 -7.294 -0.410 1.605 101 1HG GLU 17 1HG GLU 17 -8.961 1.019 2.775 102 2HG GLU 17 2HG GLU 17 -10.225 0.195 1.861 103 H CYS 18 H CYS 18 -5.618 1.595 0.335 104 HA CYS 18 HA CYS 18 -5.981 3.917 2.096 105 1HB CYS 18 1HB CYS 18 -3.494 2.383 1.325 106 2HB CYS 18 2HB CYS 18 -3.481 3.865 2.269 107 H ILE 19 H ILE 19 -3.190 3.653 0.084 108 HA ILE 19 HA ILE 19 -3.905 6.100 -1.231 109 HB ILE 19 HB ILE 19 -1.411 4.444 -1.623 110 1HG1 ILE 19 1HG1 ILE 19 -1.909 6.797 0.220 111 2HG1 ILE 19 2HG1 ILE 19 -1.733 5.125 0.736 112 1HG2 ILE 19 1HG2 ILE 19 -2.349 6.534 -3.133 113 2HG2 ILE 19 2HG2 ILE 19 -0.660 6.045 -3.003 114 3HG2 ILE 19 3HG2 ILE 19 -1.283 7.341 -1.984 115 1HD1 ILE 19 1HD1 ILE 19 0.387 5.755 1.101 116 2HD1 ILE 19 2HD1 ILE 19 0.302 7.089 -0.050 117 3HD1 ILE 19 3HD1 ILE 19 0.562 5.442 -0.626 118 1HN TEE 20 1HN TEE 20 -2.415 3.217 -2.635 119 HB2 TEE 20 3HB TEE 20 -3.977 0.836 -4.429 120 HA TEE 20 3HA TEE 20 -4.526 2.575 -4.457 Start of MODEL 7 1 1H CYS 1 1H CYS 1 8.982 0.275 1.201 2 2H CYS 1 2H CYS 1 10.493 0.710 1.839 3 3H CYS 1 3H CYS 1 10.320 0.450 0.173 4 HA CYS 1 HA CYS 1 8.461 2.326 0.625 5 1HB CYS 1 1HB CYS 1 9.194 2.647 2.909 6 2HB CYS 1 2HB CYS 1 10.860 2.857 2.384 7 1HN ABA 2 1HN ABA 2 10.172 4.199 -1.810 8 HA ABA 2 HA ABA 2 8.167 5.162 -1.388 9 2HB ABA 2 2HB ABA 2 7.180 4.953 0.944 10 1HG ABA 2 1HG ABA 2 8.830 6.459 1.932 11 2HG ABA 2 2HG ABA 2 8.532 6.857 0.241 12 3HG ABA 2 3HG ABA 2 10.000 5.994 0.694 13 H PHE 3 H PHE 3 5.911 4.315 -0.030 14 HA PHE 3 HA PHE 3 5.417 1.551 -0.641 15 1HB PHE 3 1HB PHE 3 3.066 2.136 0.147 16 2HB PHE 3 2HB PHE 3 4.358 2.295 1.328 17 HD1 PHE 3 HD1 PHE 3 4.427 4.208 2.609 18 HD2 PHE 3 HD2 PHE 3 2.525 4.325 -1.191 19 HE1 PHE 3 HE1 PHE 3 3.734 6.527 3.035 20 HE2 PHE 3 HE2 PHE 3 1.827 6.644 -0.777 21 HZ PHE 3 HZ PHE 3 2.419 7.731 1.410 22 1HN ABA 4 1HN ABA 4 2.862 1.518 -1.523 23 HA ABA 4 HA ABA 4 3.095 2.586 -4.250 24 2HB ABA 4 2HB ABA 4 0.742 2.529 -2.425 25 1HG ABA 4 1HG ABA 4 0.946 4.710 -2.777 26 2HG ABA 4 2HG ABA 4 0.497 4.449 -4.462 27 3HG ABA 4 3HG ABA 4 2.197 4.434 -3.990 28 H LEU 5 H LEU 5 4.026 0.816 -5.136 29 HA LEU 5 HA LEU 5 2.803 -1.777 -4.535 30 1HB LEU 5 1HB LEU 5 3.383 -2.555 -6.858 31 2HB LEU 5 2HB LEU 5 2.018 -1.467 -6.735 32 HG LEU 5 HG LEU 5 4.712 -0.358 -7.425 33 1HD1 LEU 5 1HD1 LEU 5 2.799 -1.613 -9.389 34 2HD1 LEU 5 2HD1 LEU 5 4.357 -2.292 -8.914 35 3HD1 LEU 5 3HD1 LEU 5 4.289 -0.756 -9.775 36 1HD2 LEU 5 1HD2 LEU 5 1.892 0.371 -8.220 37 2HD2 LEU 5 2HD2 LEU 5 3.357 1.268 -8.628 38 3HD2 LEU 5 3HD2 LEU 5 2.831 1.153 -6.946 39 HA PRO 6 HA PRO 6 7.249 -1.861 -3.721 40 1HB PRO 6 1HB PRO 6 7.019 -2.335 -1.039 41 2HB PRO 6 2HB PRO 6 6.957 -0.726 -1.761 42 1HG PRO 6 1HG PRO 6 4.835 -2.218 -0.478 43 2HG PRO 6 2HG PRO 6 4.814 -0.545 -1.057 44 1HD PRO 6 1HD PRO 6 3.780 -2.980 -2.337 45 2HD PRO 6 2HD PRO 6 3.402 -1.280 -2.681 46 H GLY 7 H GLY 7 8.702 -3.495 -2.919 47 1HA GLY 7 1HA GLY 7 7.479 -6.188 -2.906 48 2HA GLY 7 2HA GLY 7 9.062 -5.832 -3.588 49 H GLY 8 H GLY 8 7.915 -4.455 -0.589 50 1HA GLY 8 1HA GLY 8 8.942 -6.302 1.234 51 2HA GLY 8 2HA GLY 8 10.241 -5.193 0.816 52 H GLY 9 H GLY 9 9.169 -5.460 3.400 53 1HA GLY 9 1HA GLY 9 8.831 -3.899 5.088 54 2HA GLY 9 2HA GLY 9 8.461 -2.689 3.870 55 H GLY 10 H GLY 10 6.382 -2.216 3.437 56 1HA GLY 10 1HA GLY 10 4.305 -3.978 4.554 57 2HA GLY 10 2HA GLY 10 4.266 -2.246 4.868 58 H VAL 11 H VAL 11 2.125 -2.356 3.827 59 HA VAL 11 HA VAL 11 2.424 -2.339 0.894 60 HB VAL 11 HB VAL 11 -0.284 -2.724 2.100 61 1HG1 VAL 11 1HG1 VAL 11 -0.795 -2.929 -0.042 62 2HG1 VAL 11 2HG1 VAL 11 0.250 -4.344 -0.164 63 3HG1 VAL 11 3HG1 VAL 11 0.902 -2.734 -0.482 64 1HG2 VAL 11 1HG2 VAL 11 1.194 -5.198 1.451 65 2HG2 VAL 11 2HG2 VAL 11 -0.038 -4.897 2.675 66 3HG2 VAL 11 3HG2 VAL 11 1.633 -4.406 2.964 67 H CYS 12 H CYS 12 0.937 -0.927 -0.235 68 HA CYS 12 HA CYS 12 0.947 1.725 0.803 69 1HB CYS 12 1HB CYS 12 1.353 0.742 -1.547 70 2HB CYS 12 2HB CYS 12 -0.377 0.719 -1.637 71 1HN ABA 13 1HN ABA 13 -0.528 0.662 2.598 72 HA ABA 13 HA ABA 13 -3.325 1.138 1.884 73 2HB ABA 13 2HB ABA 13 -2.593 0.371 4.665 74 1HG ABA 13 1HG ABA 13 -2.196 2.843 5.143 75 2HG ABA 13 2HG ABA 13 -1.895 3.010 3.412 76 3HG ABA 13 3HG ABA 13 -0.877 1.948 4.387 77 H LEU 14 H LEU 14 -3.361 -0.614 0.584 78 HA LEU 14 HA LEU 14 -2.604 -3.213 1.438 79 1HB LEU 14 1HB LEU 14 -4.956 -2.821 2.416 80 2HB LEU 14 2HB LEU 14 -5.516 -2.885 0.763 81 HG LEU 14 HG LEU 14 -5.735 -5.014 2.144 82 1HD1 LEU 14 1HD1 LEU 14 -5.593 -6.336 0.277 83 2HD1 LEU 14 2HD1 LEU 14 -4.120 -5.555 -0.296 84 3HD1 LEU 14 3HD1 LEU 14 -5.669 -4.727 -0.445 85 1HD2 LEU 14 1HD2 LEU 14 -2.775 -5.169 1.599 86 2HD2 LEU 14 2HD2 LEU 14 -3.775 -6.418 2.343 87 3HD2 LEU 14 3HD2 LEU 14 -3.508 -4.886 3.182 88 1HN ABA 15 1HN ABA 15 -4.248 -1.096 -0.770 89 HA ABA 15 HA ABA 15 -3.672 -2.725 -3.102 90 2HB ABA 15 2HB ABA 15 -2.711 0.084 -3.304 91 1HG ABA 15 1HG ABA 15 -2.389 -2.451 -4.677 92 2HG ABA 15 2HG ABA 15 -0.852 -1.629 -4.409 93 3HG ABA 15 3HG ABA 15 -2.154 -0.806 -5.268 94 1HN DHA 16 1HN DHA 16 -4.465 0.538 -2.106 95 2HB DHA 16 2HB DHA 16 -5.678 1.042 -5.109 96 3HB DHA 16 3HB DHA 16 -7.243 1.945 -4.638 97 H GLU 17 H GLU 17 -6.436 0.002 -0.828 98 HA GLU 17 HA GLU 17 -8.960 1.297 -0.260 99 1HB GLU 17 1HB GLU 17 -8.421 -1.054 0.446 100 2HB GLU 17 2HB GLU 17 -7.241 -0.391 1.568 101 1HG GLU 17 1HG GLU 17 -8.993 0.775 2.765 102 2HG GLU 17 2HG GLU 17 -10.193 0.193 1.613 103 H CYS 18 H CYS 18 -5.600 1.663 0.427 104 HA CYS 18 HA CYS 18 -6.120 3.928 2.228 105 1HB CYS 18 1HB CYS 18 -3.452 2.692 1.563 106 2HB CYS 18 2HB CYS 18 -3.815 3.807 2.868 107 H ILE 19 H ILE 19 -3.336 3.389 0.162 108 HA ILE 19 HA ILE 19 -3.829 5.964 -1.079 109 HB ILE 19 HB ILE 19 -1.340 4.272 -1.275 110 1HG1 ILE 19 1HG1 ILE 19 -1.788 4.977 1.046 111 2HG1 ILE 19 2HG1 ILE 19 -0.370 5.785 0.387 112 1HG2 ILE 19 1HG2 ILE 19 -2.105 6.314 -2.898 113 2HG2 ILE 19 2HG2 ILE 19 -0.432 5.858 -2.578 114 3HG2 ILE 19 3HG2 ILE 19 -1.177 7.173 -1.668 115 1HD1 ILE 19 1HD1 ILE 19 -3.072 7.078 0.379 116 2HD1 ILE 19 2HD1 ILE 19 -1.486 7.831 0.206 117 3HD1 ILE 19 3HD1 ILE 19 -1.986 7.174 1.766 118 1HN TEE 20 1HN TEE 20 -2.167 3.191 -2.473 119 HB2 TEE 20 3HB TEE 20 -3.902 0.883 -4.341 120 HA TEE 20 3HA TEE 20 -4.239 2.675 -4.362 Start of MODEL 8 1 1H CYS 1 1H CYS 1 12.756 6.539 -1.986 2 2H CYS 1 2H CYS 1 12.910 4.867 -1.734 3 3H CYS 1 3H CYS 1 13.084 5.939 -0.431 4 HA CYS 1 HA CYS 1 10.860 6.351 -0.257 5 1HB CYS 1 1HB CYS 1 10.997 6.780 -2.867 6 2HB CYS 1 2HB CYS 1 10.272 5.183 -2.953 7 1HN ABA 2 1HN ABA 2 9.393 2.779 -0.639 8 HA ABA 2 HA ABA 2 8.905 4.747 -2.573 9 2HB ABA 2 2HB ABA 2 7.510 5.354 0.036 10 1HG ABA 2 1HG ABA 2 6.135 6.385 -1.400 11 2HG ABA 2 2HG ABA 2 7.301 6.320 -2.721 12 3HG ABA 2 3HG ABA 2 7.410 7.599 -1.510 13 H PHE 3 H PHE 3 6.634 3.849 -0.005 14 HA PHE 3 HA PHE 3 5.666 1.530 -1.277 15 1HB PHE 3 1HB PHE 3 3.652 1.845 0.240 16 2HB PHE 3 2HB PHE 3 5.213 1.678 1.027 17 HD1 PHE 3 HD1 PHE 3 4.851 2.782 3.078 18 HD2 PHE 3 HD2 PHE 3 3.791 4.693 -0.572 19 HE1 PHE 3 HE1 PHE 3 4.438 4.876 4.296 20 HE2 PHE 3 HE2 PHE 3 3.376 6.788 0.641 21 HZ PHE 3 HZ PHE 3 3.682 6.825 3.170 22 1HN ABA 4 1HN ABA 4 3.425 1.243 -2.009 23 HA ABA 4 HA ABA 4 2.861 3.137 -4.120 24 2HB ABA 4 2HB ABA 4 0.942 2.569 -1.884 25 1HG ABA 4 1HG ABA 4 0.356 5.012 -2.489 26 2HG ABA 4 2HG ABA 4 1.874 4.979 -3.389 27 3HG ABA 4 3HG ABA 4 1.872 4.673 -1.652 28 H LEU 5 H LEU 5 3.885 1.198 -5.041 29 HA LEU 5 HA LEU 5 2.109 -1.131 -5.132 30 1HB LEU 5 1HB LEU 5 2.834 -1.595 -7.464 31 2HB LEU 5 2HB LEU 5 1.824 -0.174 -7.304 32 HG LEU 5 HG LEU 5 4.812 0.101 -7.410 33 1HD1 LEU 5 1HD1 LEU 5 4.930 -0.520 -9.531 34 2HD1 LEU 5 2HD1 LEU 5 3.619 0.578 -9.958 35 3HD1 LEU 5 3HD1 LEU 5 3.257 -1.070 -9.443 36 1HD2 LEU 5 1HD2 LEU 5 3.055 1.960 -6.858 37 2HD2 LEU 5 2HD2 LEU 5 2.805 1.963 -8.606 38 3HD2 LEU 5 3HD2 LEU 5 4.403 2.307 -7.942 39 HA PRO 6 HA PRO 6 6.278 -2.299 -3.815 40 1HB PRO 6 1HB PRO 6 5.688 -3.002 -1.304 41 2HB PRO 6 2HB PRO 6 5.738 -1.305 -1.795 42 1HG PRO 6 1HG PRO 6 3.413 -3.011 -1.155 43 2HG PRO 6 2HG PRO 6 3.566 -1.249 -1.095 44 1HD PRO 6 1HD PRO 6 2.425 -2.874 -3.186 45 2HD PRO 6 2HD PRO 6 2.522 -1.104 -3.095 46 H GLY 7 H GLY 7 6.543 -4.360 -1.934 47 1HA GLY 7 1HA GLY 7 5.094 -6.700 -2.652 48 2HA GLY 7 2HA GLY 7 6.633 -6.625 -3.500 49 H GLY 8 H GLY 8 5.069 -6.901 -0.404 50 1HA GLY 8 1HA GLY 8 7.168 -8.446 0.708 51 2HA GLY 8 2HA GLY 8 7.268 -6.789 1.288 52 H GLY 9 H GLY 9 6.850 -7.544 3.418 53 1HA GLY 9 1HA GLY 9 4.534 -9.032 4.102 54 2HA GLY 9 2HA GLY 9 5.539 -8.119 5.217 55 H GLY 10 H GLY 10 5.146 -5.601 3.761 56 1HA GLY 10 1HA GLY 10 2.352 -5.105 4.590 57 2HA GLY 10 2HA GLY 10 3.654 -3.945 4.809 58 H VAL 11 H VAL 11 1.129 -3.608 3.407 59 HA VAL 11 HA VAL 11 2.197 -3.034 0.719 60 HB VAL 11 HB VAL 11 -0.736 -3.470 1.265 61 1HG1 VAL 11 1HG1 VAL 11 -0.146 -2.255 -0.776 62 2HG1 VAL 11 2HG1 VAL 11 -0.850 -3.830 -1.149 63 3HG1 VAL 11 3HG1 VAL 11 0.894 -3.589 -1.275 64 1HG2 VAL 11 1HG2 VAL 11 -0.614 -5.713 1.020 65 2HG2 VAL 11 2HG2 VAL 11 1.006 -5.473 1.675 66 3HG2 VAL 11 3HG2 VAL 11 0.772 -5.630 -0.067 67 H CYS 12 H CYS 12 1.225 -1.168 -0.315 68 HA CYS 12 HA CYS 12 1.235 1.152 1.264 69 1HB CYS 12 1HB CYS 12 1.943 0.924 -1.077 70 2HB CYS 12 2HB CYS 12 0.279 0.668 -1.514 71 1HN ABA 13 1HN ABA 13 -0.477 0.505 2.822 72 HA ABA 13 HA ABA 13 -3.133 1.235 1.850 73 2HB ABA 13 2HB ABA 13 -2.552 0.656 4.734 74 1HG ABA 13 1HG ABA 13 -1.290 2.458 5.026 75 2HG ABA 13 2HG ABA 13 -2.501 3.473 4.241 76 3HG ABA 13 3HG ABA 13 -1.251 2.685 3.277 77 H LEU 14 H LEU 14 -3.354 -0.561 0.700 78 HA LEU 14 HA LEU 14 -3.127 -3.202 1.749 79 1HB LEU 14 1HB LEU 14 -5.361 -2.589 2.613 80 2HB LEU 14 2HB LEU 14 -5.871 -2.168 0.988 81 HG LEU 14 HG LEU 14 -5.491 -4.565 0.340 82 1HD1 LEU 14 1HD1 LEU 14 -5.743 -5.638 2.987 83 2HD1 LEU 14 2HD1 LEU 14 -4.264 -4.687 2.849 84 3HD1 LEU 14 3HD1 LEU 14 -4.566 -6.018 1.730 85 1HD2 LEU 14 1HD2 LEU 14 -7.716 -4.211 0.565 86 2HD2 LEU 14 2HD2 LEU 14 -7.565 -3.575 2.201 87 3HD2 LEU 14 3HD2 LEU 14 -7.499 -5.315 1.923 88 1HN ABA 15 1HN ABA 15 -3.949 -0.895 -0.602 89 HA ABA 15 HA ABA 15 -3.478 -2.727 -2.858 90 2HB ABA 15 2HB ABA 15 -2.053 -0.345 -2.142 91 1HG ABA 15 1HG ABA 15 -1.948 -1.785 -4.790 92 2HG ABA 15 2HG ABA 15 -1.187 -2.407 -3.325 93 3HG ABA 15 3HG ABA 15 -0.657 -0.869 -4.009 94 1HN DHA 16 1HN DHA 16 -4.363 0.581 -2.477 95 2HB DHA 16 2HB DHA 16 -5.610 0.960 -5.204 96 3HB DHA 16 3HB DHA 16 -7.266 1.690 -4.781 97 H GLU 17 H GLU 17 -6.060 0.337 -0.848 98 HA GLU 17 HA GLU 17 -8.805 1.229 -0.300 99 1HB GLU 17 1HB GLU 17 -8.154 -1.166 0.299 100 2HB GLU 17 2HB GLU 17 -7.073 -0.474 1.500 101 1HG GLU 17 1HG GLU 17 -9.002 0.606 2.582 102 2HG GLU 17 2HG GLU 17 -10.065 -0.151 1.397 103 H CYS 18 H CYS 18 -5.534 1.926 -0.022 104 HA CYS 18 HA CYS 18 -6.046 3.967 2.035 105 1HB CYS 18 1HB CYS 18 -3.374 2.736 1.373 106 2HB CYS 18 2HB CYS 18 -3.710 3.885 2.653 107 H ILE 19 H ILE 19 -3.245 3.533 -0.060 108 HA ILE 19 HA ILE 19 -3.823 6.152 -1.167 109 HB ILE 19 HB ILE 19 -1.220 4.647 -1.309 110 1HG1 ILE 19 1HG1 ILE 19 -1.796 5.209 1.014 111 2HG1 ILE 19 2HG1 ILE 19 -0.450 6.191 0.447 112 1HG2 ILE 19 1HG2 ILE 19 -0.270 6.793 -1.977 113 2HG2 ILE 19 2HG2 ILE 19 -1.867 7.537 -1.894 114 3HG2 ILE 19 3HG2 ILE 19 -1.536 6.292 -3.099 115 1HD1 ILE 19 1HD1 ILE 19 -2.241 7.961 -0.079 116 2HD1 ILE 19 2HD1 ILE 19 -1.778 7.694 1.602 117 3HD1 ILE 19 3HD1 ILE 19 -3.276 7.003 0.978 118 1HN TEE 20 1HN TEE 20 -2.644 3.005 -2.270 119 HB2 TEE 20 3HB TEE 20 -2.066 1.176 -4.163 120 HA TEE 20 3HA TEE 20 -4.305 2.637 -4.398 Start of MODEL 9 1 1H CYS 1 1H CYS 1 11.021 8.528 1.225 2 2H CYS 1 2H CYS 1 11.790 7.097 0.751 3 3H CYS 1 3H CYS 1 10.806 7.111 2.134 4 HA CYS 1 HA CYS 1 9.212 8.052 0.097 5 1HB CYS 1 1HB CYS 1 11.235 6.908 -1.171 6 2HB CYS 1 2HB CYS 1 10.377 5.428 -0.763 7 1HN ABA 2 1HN ABA 2 7.544 4.685 1.058 8 HA ABA 2 HA ABA 2 9.063 4.899 -1.282 9 2HB ABA 2 2HB ABA 2 6.556 6.589 -1.309 10 1HG ABA 2 1HG ABA 2 8.237 5.428 -3.421 11 2HG ABA 2 2HG ABA 2 7.867 7.141 -3.621 12 3HG ABA 2 3HG ABA 2 6.559 5.968 -3.468 13 H PHE 3 H PHE 3 5.799 4.593 0.026 14 HA PHE 3 HA PHE 3 5.588 1.912 -0.916 15 1HB PHE 3 1HB PHE 3 3.194 2.157 0.005 16 2HB PHE 3 2HB PHE 3 4.534 2.247 1.138 17 HD1 PHE 3 HD1 PHE 3 3.698 3.567 2.884 18 HD2 PHE 3 HD2 PHE 3 3.243 4.869 -1.144 19 HE1 PHE 3 HE1 PHE 3 2.850 5.731 3.683 20 HE2 PHE 3 HE2 PHE 3 2.405 7.040 -0.352 21 HZ PHE 3 HZ PHE 3 2.206 7.449 2.131 22 1HN ABA 4 1HN ABA 4 3.066 1.527 -1.686 23 HA ABA 4 HA ABA 4 2.933 2.848 -4.296 24 2HB ABA 4 2HB ABA 4 0.872 2.707 -2.225 25 1HG ABA 4 1HG ABA 4 -0.095 4.473 -3.859 26 2HG ABA 4 2HG ABA 4 1.477 4.345 -4.647 27 3HG ABA 4 3HG ABA 4 1.375 4.836 -2.955 28 H LEU 5 H LEU 5 4.188 1.013 -4.953 29 HA LEU 5 HA LEU 5 2.693 -1.525 -4.983 30 1HB LEU 5 1HB LEU 5 4.441 -0.395 -7.174 31 2HB LEU 5 2HB LEU 5 3.856 -2.046 -7.138 32 HG LEU 5 HG LEU 5 2.124 0.423 -7.327 33 1HD1 LEU 5 1HD1 LEU 5 3.105 0.228 -9.421 34 2HD1 LEU 5 2HD1 LEU 5 1.620 -0.708 -9.597 35 3HD1 LEU 5 3HD1 LEU 5 3.159 -1.533 -9.345 36 1HD2 LEU 5 1HD2 LEU 5 1.502 -2.500 -7.134 37 2HD2 LEU 5 2HD2 LEU 5 0.395 -1.377 -7.923 38 3HD2 LEU 5 3HD2 LEU 5 0.814 -1.157 -6.223 39 HA PRO 6 HA PRO 6 6.704 -2.279 -3.021 40 1HB PRO 6 1HB PRO 6 5.776 -3.351 -0.742 41 2HB PRO 6 2HB PRO 6 5.709 -1.613 -1.043 42 1HG PRO 6 1HG PRO 6 3.532 -3.599 -1.031 43 2HG PRO 6 2HG PRO 6 3.461 -1.853 -0.758 44 1HD PRO 6 1HD PRO 6 2.881 -3.306 -3.170 45 2HD PRO 6 2HD PRO 6 2.787 -1.554 -2.897 46 H GLY 7 H GLY 7 7.012 -4.495 -1.401 47 1HA GLY 7 1HA GLY 7 5.960 -6.906 -2.435 48 2HA GLY 7 2HA GLY 7 7.504 -6.557 -3.207 49 H GLY 8 H GLY 8 6.445 -5.902 0.106 50 1HA GLY 8 1HA GLY 8 8.616 -7.679 1.032 51 2HA GLY 8 2HA GLY 8 8.342 -6.093 1.738 52 H GLY 9 H GLY 9 6.987 -5.922 3.417 53 1HA GLY 9 1HA GLY 9 5.337 -8.299 4.044 54 2HA GLY 9 2HA GLY 9 6.155 -7.339 5.270 55 H GLY 10 H GLY 10 5.518 -4.813 3.954 56 1HA GLY 10 1HA GLY 10 2.665 -4.688 4.697 57 2HA GLY 10 2HA GLY 10 3.806 -3.362 4.886 58 H VAL 11 H VAL 11 1.276 -3.338 3.483 59 HA VAL 11 HA VAL 11 2.246 -2.881 0.735 60 HB VAL 11 HB VAL 11 -0.661 -3.303 1.411 61 1HG1 VAL 11 1HG1 VAL 11 -0.156 -4.346 -1.080 62 2HG1 VAL 11 2HG1 VAL 11 0.937 -2.961 -1.013 63 3HG1 VAL 11 3HG1 VAL 11 -0.793 -2.735 -0.749 64 1HG2 VAL 11 1HG2 VAL 11 -0.327 -5.447 1.882 65 2HG2 VAL 11 2HG2 VAL 11 1.409 -5.269 1.627 66 3HG2 VAL 11 3HG2 VAL 11 0.355 -5.672 0.273 67 H CYS 12 H CYS 12 0.971 -1.198 -0.426 68 HA CYS 12 HA CYS 12 1.154 1.280 0.894 69 1HB CYS 12 1HB CYS 12 1.568 0.682 -1.497 70 2HB CYS 12 2HB CYS 12 -0.154 0.565 -1.673 71 1HN ABA 13 1HN ABA 13 -0.416 0.550 2.672 72 HA ABA 13 HA ABA 13 -3.131 1.334 1.932 73 2HB ABA 13 2HB ABA 13 -2.608 0.594 4.748 74 1HG ABA 13 1HG ABA 13 -1.084 2.705 3.375 75 2HG ABA 13 2HG ABA 13 -0.729 1.837 4.868 76 3HG ABA 13 3HG ABA 13 -1.863 3.188 4.883 77 H LEU 14 H LEU 14 -3.346 -0.440 0.696 78 HA LEU 14 HA LEU 14 -3.089 -3.084 1.702 79 1HB LEU 14 1HB LEU 14 -5.338 -2.475 2.568 80 2HB LEU 14 2HB LEU 14 -5.847 -2.104 0.936 81 HG LEU 14 HG LEU 14 -5.529 -4.473 0.312 82 1HD1 LEU 14 1HD1 LEU 14 -3.820 -5.067 1.938 83 2HD1 LEU 14 2HD1 LEU 14 -5.208 -6.145 2.058 84 3HD1 LEU 14 3HD1 LEU 14 -4.981 -4.865 3.250 85 1HD2 LEU 14 1HD2 LEU 14 -7.699 -4.508 0.751 86 2HD2 LEU 14 2HD2 LEU 14 -7.508 -3.398 2.108 87 3HD2 LEU 14 3HD2 LEU 14 -7.302 -5.134 2.351 88 1HN ABA 15 1HN ABA 15 -3.802 -0.739 -0.681 89 HA ABA 15 HA ABA 15 -3.390 -2.659 -2.872 90 2HB ABA 15 2HB ABA 15 -2.603 0.201 -3.240 91 1HG ABA 15 1HG ABA 15 -0.798 -0.898 -4.582 92 2HG ABA 15 2HG ABA 15 -2.438 -1.229 -5.141 93 3HG ABA 15 3HG ABA 15 -1.555 -2.447 -4.220 94 1HN DHA 16 1HN DHA 16 -4.429 0.607 -2.154 95 2HB DHA 16 2HB DHA 16 -5.690 0.747 -5.199 96 3HB DHA 16 3HB DHA 16 -7.307 1.583 -4.784 97 H GLU 17 H GLU 17 -6.392 -0.066 -0.883 98 HA GLU 17 HA GLU 17 -8.930 1.216 -0.329 99 1HB GLU 17 1HB GLU 17 -8.206 -1.132 0.444 100 2HB GLU 17 2HB GLU 17 -7.203 -0.307 1.627 101 1HG GLU 17 1HG GLU 17 -10.184 0.046 1.411 102 2HG GLU 17 2HG GLU 17 -9.399 -1.115 2.476 103 H CYS 18 H CYS 18 -5.552 1.464 0.584 104 HA CYS 18 HA CYS 18 -6.049 3.864 2.174 105 1HB CYS 18 1HB CYS 18 -3.477 2.431 1.478 106 2HB CYS 18 2HB CYS 18 -3.585 3.860 2.490 107 H ILE 19 H ILE 19 -3.170 3.636 0.292 108 HA ILE 19 HA ILE 19 -3.856 6.051 -1.077 109 HB ILE 19 HB ILE 19 -1.344 4.407 -1.425 110 1HG1 ILE 19 1HG1 ILE 19 -0.433 6.431 -0.010 111 2HG1 ILE 19 2HG1 ILE 19 -2.099 6.534 0.552 112 1HG2 ILE 19 1HG2 ILE 19 -1.212 7.282 -1.879 113 2HG2 ILE 19 2HG2 ILE 19 -2.309 6.453 -2.983 114 3HG2 ILE 19 3HG2 ILE 19 -0.623 5.950 -2.872 115 1HD1 ILE 19 1HD1 ILE 19 -1.963 4.590 1.727 116 2HD1 ILE 19 2HD1 ILE 19 -0.289 5.133 1.837 117 3HD1 ILE 19 3HD1 ILE 19 -0.742 3.898 0.660 118 1HN TEE 20 1HN TEE 20 -2.241 3.285 -2.524 119 HB2 TEE 20 HB2 TEE 20 -2.319 1.091 -3.862 120 HA TEE 20 3HA TEE 20 -4.393 2.589 -4.364 Start of MODEL 10 1 1H CYS 1 1H CYS 1 10.815 2.322 -2.074 2 2H CYS 1 2H CYS 1 10.281 2.367 -0.466 3 3H CYS 1 3H CYS 1 11.743 3.115 -0.895 4 HA CYS 1 HA CYS 1 8.994 3.944 -1.534 5 1HB CYS 1 1HB CYS 1 9.871 4.757 0.561 6 2HB CYS 1 2HB CYS 1 11.363 5.276 -0.215 7 1HN ABA 2 1HN ABA 2 9.823 5.829 -4.380 8 HA ABA 2 HA ABA 2 7.707 6.322 -3.746 9 2HB ABA 2 2HB ABA 2 7.133 6.242 -1.269 10 1HG ABA 2 1HG ABA 2 7.846 8.285 -2.413 11 2HG ABA 2 2HG ABA 2 9.531 7.875 -2.090 12 3HG ABA 2 3HG ABA 2 8.439 8.232 -0.753 13 H PHE 3 H PHE 3 6.243 5.031 -1.550 14 HA PHE 3 HA PHE 3 6.214 2.209 -2.149 15 1HB PHE 3 1HB PHE 3 4.251 2.245 -0.530 16 2HB PHE 3 2HB PHE 3 5.798 2.763 0.117 17 HD1 PHE 3 HD1 PHE 3 5.587 4.432 1.647 18 HD2 PHE 3 HD2 PHE 3 3.039 4.453 -1.755 19 HE1 PHE 3 HE1 PHE 3 4.572 6.530 2.421 20 HE2 PHE 3 HE2 PHE 3 2.023 6.550 -0.990 21 HZ PHE 3 HZ PHE 3 2.781 7.589 1.101 22 1HN ABA 4 1HN ABA 4 3.365 1.855 -1.946 23 HA ABA 4 HA ABA 4 2.521 2.870 -4.570 24 2HB ABA 4 2HB ABA 4 0.325 2.107 -2.801 25 1HG ABA 4 1HG ABA 4 0.157 4.817 -3.362 26 2HG ABA 4 2HG ABA 4 -0.564 3.510 -4.303 27 3HG ABA 4 3HG ABA 4 1.018 4.150 -4.750 28 H LEU 5 H LEU 5 3.585 0.908 -5.358 29 HA LEU 5 HA LEU 5 2.202 -1.560 -4.599 30 1HB LEU 5 1HB LEU 5 2.584 -2.426 -6.933 31 2HB LEU 5 2HB LEU 5 1.328 -1.218 -6.765 32 HG LEU 5 HG LEU 5 4.053 -0.312 -7.578 33 1HD1 LEU 5 1HD1 LEU 5 3.423 -2.366 -8.924 34 2HD1 LEU 5 2HD1 LEU 5 3.738 -0.895 -9.842 35 3HD1 LEU 5 3HD1 LEU 5 2.078 -1.419 -9.557 36 1HD2 LEU 5 1HD2 LEU 5 1.534 0.858 -7.291 37 2HD2 LEU 5 2HD2 LEU 5 1.776 0.704 -9.032 38 3HD2 LEU 5 3HD2 LEU 5 2.957 1.571 -8.051 39 HA PRO 6 HA PRO 6 6.721 -1.818 -3.873 40 1HB PRO 6 1HB PRO 6 6.030 -3.085 -1.351 41 2HB PRO 6 2HB PRO 6 6.867 -1.557 -1.628 42 1HG PRO 6 1HG PRO 6 4.365 -1.713 -0.574 43 2HG PRO 6 2HG PRO 6 4.928 -0.331 -1.534 44 1HD PRO 6 1HD PRO 6 3.233 -2.657 -2.371 45 2HD PRO 6 2HD PRO 6 3.051 -0.933 -2.764 46 H GLY 7 H GLY 7 5.145 -4.394 -2.040 47 1HA GLY 7 1HA GLY 7 4.772 -6.593 -3.117 48 2HA GLY 7 2HA GLY 7 6.305 -6.341 -3.940 49 H GLY 8 H GLY 8 5.685 -5.566 -0.565 50 1HA GLY 8 1HA GLY 8 7.271 -7.913 0.229 51 2HA GLY 8 2HA GLY 8 7.756 -6.316 0.780 52 H GLY 9 H GLY 9 7.492 -7.289 2.921 53 1HA GLY 9 1HA GLY 9 4.854 -7.964 3.856 54 2HA GLY 9 2HA GLY 9 6.294 -7.753 4.844 55 H GLY 10 H GLY 10 3.554 -6.174 3.378 56 1HA GLY 10 1HA GLY 10 2.603 -4.368 4.892 57 2HA GLY 10 2HA GLY 10 4.229 -3.697 4.837 58 H VAL 11 H VAL 11 1.196 -3.762 3.372 59 HA VAL 11 HA VAL 11 2.234 -2.869 0.788 60 HB VAL 11 HB VAL 11 -0.685 -3.253 1.341 61 1HG1 VAL 11 1HG1 VAL 11 0.021 -4.322 -1.128 62 2HG1 VAL 11 2HG1 VAL 11 1.022 -2.877 -0.962 63 3HG1 VAL 11 3HG1 VAL 11 -0.734 -2.756 -0.824 64 1HG2 VAL 11 1HG2 VAL 11 -0.616 -5.485 1.489 65 2HG2 VAL 11 2HG2 VAL 11 1.058 -5.244 1.990 66 3HG2 VAL 11 3HG2 VAL 11 0.686 -5.623 0.308 67 H CYS 12 H CYS 12 1.125 -1.113 -0.292 68 HA CYS 12 HA CYS 12 1.160 1.300 1.163 69 1HB CYS 12 1HB CYS 12 1.821 0.916 -1.172 70 2HB CYS 12 2HB CYS 12 0.140 0.654 -1.546 71 1HN ABA 13 1HN ABA 13 -0.496 0.584 2.786 72 HA ABA 13 HA ABA 13 -3.192 1.289 1.901 73 2HB ABA 13 2HB ABA 13 -3.822 1.657 4.097 74 1HG ABA 13 1HG ABA 13 -0.905 2.260 4.442 75 2HG ABA 13 2HG ABA 13 -2.302 3.193 4.979 76 3HG ABA 13 3HG ABA 13 -1.885 3.138 3.267 77 H LEU 14 H LEU 14 -3.334 -0.508 0.663 78 HA LEU 14 HA LEU 14 -3.024 -3.136 1.697 79 1HB LEU 14 1HB LEU 14 -5.400 -2.288 2.402 80 2HB LEU 14 2HB LEU 14 -5.803 -2.538 0.717 81 HG LEU 14 HG LEU 14 -6.379 -4.410 2.364 82 1HD1 LEU 14 1HD1 LEU 14 -5.481 -6.188 0.728 83 2HD1 LEU 14 2HD1 LEU 14 -4.894 -4.811 -0.203 84 3HD1 LEU 14 3HD1 LEU 14 -6.618 -4.981 0.128 85 1HD2 LEU 14 1HD2 LEU 14 -4.110 -4.274 3.473 86 2HD2 LEU 14 2HD2 LEU 14 -3.473 -5.110 2.056 87 3HD2 LEU 14 3HD2 LEU 14 -4.687 -5.891 3.069 88 1HN ABA 15 1HN ABA 15 -3.804 -0.841 -0.717 89 HA ABA 15 HA ABA 15 -3.382 -2.762 -2.892 90 2HB ABA 15 2HB ABA 15 -2.317 0.045 -3.116 91 1HG ABA 15 1HG ABA 15 -1.235 -0.717 -4.961 92 2HG ABA 15 2HG ABA 15 -2.537 -1.907 -4.940 93 3HG ABA 15 3HG ABA 15 -0.956 -2.316 -4.274 94 1HN DHA 16 1HN DHA 16 -4.369 0.465 -1.989 95 2HB DHA 16 2HB DHA 16 -5.388 0.773 -5.155 96 3HB DHA 16 3HB DHA 16 -6.972 1.706 -4.829 97 H GLU 17 H GLU 17 -6.485 -0.053 -0.908 98 HA GLU 17 HA GLU 17 -8.942 1.430 -0.573 99 1HB GLU 17 1HB GLU 17 -8.366 -0.989 0.229 100 2HB GLU 17 2HB GLU 17 -7.603 -0.179 1.588 101 1HG GLU 17 1HG GLU 17 -10.447 0.378 0.840 102 2HG GLU 17 2HG GLU 17 -10.009 -1.002 1.842 103 H CYS 18 H CYS 18 -5.640 1.563 0.562 104 HA CYS 18 HA CYS 18 -6.201 3.910 2.219 105 1HB CYS 18 1HB CYS 18 -3.511 2.712 1.565 106 2HB CYS 18 2HB CYS 18 -3.878 3.871 2.826 107 H ILE 19 H ILE 19 -3.432 3.371 0.148 108 HA ILE 19 HA ILE 19 -3.929 5.962 -1.063 109 HB ILE 19 HB ILE 19 -1.359 4.384 -1.067 110 1HG1 ILE 19 1HG1 ILE 19 -2.168 6.682 0.727 111 2HG1 ILE 19 2HG1 ILE 19 -2.187 4.994 1.218 112 1HG2 ILE 19 1HG2 ILE 19 -1.068 5.909 -2.752 113 2HG2 ILE 19 2HG2 ILE 19 -0.542 6.869 -1.370 114 3HG2 ILE 19 3HG2 ILE 19 -2.165 7.082 -2.026 115 1HD1 ILE 19 1HD1 ILE 19 0.375 5.668 0.134 116 2HD1 ILE 19 2HD1 ILE 19 -0.047 5.069 1.738 117 3HD1 ILE 19 3HD1 ILE 19 -0.075 6.800 1.408 118 1HN TEE 20 1HN TEE 20 -2.254 3.055 -2.212 119 HB2 TEE 20 HB2 TEE 20 -2.651 0.818 -3.483 120 HA TEE 20 3HA TEE 20 -4.050 2.551 -4.303 Start of MODEL 11 1 1H CYS 1 1H CYS 1 10.783 6.879 -2.219 2 2H CYS 1 2H CYS 1 9.589 6.834 -1.016 3 3H CYS 1 3H CYS 1 9.793 5.517 -2.069 4 HA CYS 1 HA CYS 1 12.253 5.950 -0.918 5 1HB CYS 1 1HB CYS 1 11.974 6.417 1.272 6 2HB CYS 1 2HB CYS 1 10.477 7.148 0.721 7 1HN ABA 2 1HN ABA 2 9.948 2.550 -0.526 8 HA ABA 2 HA ABA 2 8.711 5.037 -1.154 9 2HB ABA 2 2HB ABA 2 7.533 5.240 1.091 10 1HG ABA 2 1HG ABA 2 9.806 3.441 1.902 11 2HG ABA 2 2HG ABA 2 8.078 3.189 2.150 12 3HG ABA 2 3HG ABA 2 8.920 4.453 3.044 13 H PHE 3 H PHE 3 6.321 4.420 0.449 14 HA PHE 3 HA PHE 3 5.537 1.761 -0.375 15 1HB PHE 3 1HB PHE 3 3.315 2.409 0.613 16 2HB PHE 3 2HB PHE 3 4.667 2.433 1.736 17 HD1 PHE 3 HD1 PHE 3 4.946 4.277 3.103 18 HD2 PHE 3 HD2 PHE 3 2.756 4.691 -0.517 19 HE1 PHE 3 HE1 PHE 3 4.376 6.588 3.717 20 HE2 PHE 3 HE2 PHE 3 2.181 7.002 0.088 21 HZ PHE 3 HZ PHE 3 3.008 7.947 2.252 22 1HN ABA 4 1HN ABA 4 3.367 1.550 -1.492 23 HA ABA 4 HA ABA 4 3.405 3.248 -3.867 24 2HB ABA 4 2HB ABA 4 1.207 3.041 -1.923 25 1HG ABA 4 1HG ABA 4 1.951 5.191 -2.176 26 2HG ABA 4 2HG ABA 4 0.620 5.179 -3.332 27 3HG ABA 4 3HG ABA 4 2.280 4.991 -3.895 28 H LEU 5 H LEU 5 4.441 1.389 -4.799 29 HA LEU 5 HA LEU 5 2.612 -0.884 -5.228 30 1HB LEU 5 1HB LEU 5 4.523 0.328 -7.231 31 2HB LEU 5 2HB LEU 5 3.579 -1.126 -7.490 32 HG LEU 5 HG LEU 5 2.423 1.633 -7.053 33 1HD1 LEU 5 1HD1 LEU 5 1.721 0.766 -9.569 34 2HD1 LEU 5 2HD1 LEU 5 3.408 0.276 -9.423 35 3HD1 LEU 5 3HD1 LEU 5 2.958 1.965 -9.188 36 1HD2 LEU 5 1HD2 LEU 5 0.308 0.625 -7.679 37 2HD2 LEU 5 2HD2 LEU 5 0.974 -0.190 -6.264 38 3HD2 LEU 5 3HD2 LEU 5 1.084 -0.950 -7.852 39 HA PRO 6 HA PRO 6 6.505 -2.324 -3.249 40 1HB PRO 6 1HB PRO 6 4.718 -4.264 -1.964 41 2HB PRO 6 2HB PRO 6 5.818 -3.094 -1.227 42 1HG PRO 6 1HG PRO 6 3.146 -2.798 -1.113 43 2HG PRO 6 2HG PRO 6 4.241 -1.407 -1.234 44 1HD PRO 6 1HD PRO 6 2.628 -2.741 -3.380 45 2HD PRO 6 2HD PRO 6 2.876 -1.008 -3.074 46 H GLY 7 H GLY 7 4.089 -4.915 -3.544 47 1HA GLY 7 1HA GLY 7 4.211 -6.418 -5.531 48 2HA GLY 7 2HA GLY 7 5.959 -6.287 -5.385 49 H GLY 8 H GLY 8 5.653 -6.298 -2.410 50 1HA GLY 8 1HA GLY 8 4.520 -8.773 -1.619 51 2HA GLY 8 2HA GLY 8 6.253 -8.939 -1.870 52 H GLY 9 H GLY 9 4.778 -9.181 0.623 53 1HA GLY 9 1HA GLY 9 5.316 -8.612 2.828 54 2HA GLY 9 2HA GLY 9 6.327 -7.306 2.220 55 H GLY 10 H GLY 10 5.508 -5.689 3.503 56 1HA GLY 10 1HA GLY 10 2.749 -5.170 3.904 57 2HA GLY 10 2HA GLY 10 4.060 -4.023 4.141 58 H VAL 11 H VAL 11 1.358 -3.709 2.890 59 HA VAL 11 HA VAL 11 2.240 -2.929 0.189 60 HB VAL 11 HB VAL 11 -0.649 -3.279 0.929 61 1HG1 VAL 11 1HG1 VAL 11 0.879 -2.750 -1.480 62 2HG1 VAL 11 2HG1 VAL 11 -0.847 -2.560 -1.172 63 3HG1 VAL 11 3HG1 VAL 11 -0.207 -4.127 -1.670 64 1HG2 VAL 11 1HG2 VAL 11 -0.531 -5.588 0.053 65 2HG2 VAL 11 2HG2 VAL 11 0.353 -5.373 1.564 66 3HG2 VAL 11 3HG2 VAL 11 1.227 -5.460 0.035 67 H CYS 12 H CYS 12 1.000 -1.070 -0.722 68 HA CYS 12 HA CYS 12 1.257 1.212 0.933 69 1HB CYS 12 1HB CYS 12 1.705 0.909 -1.526 70 2HB CYS 12 2HB CYS 12 -0.021 0.948 -1.731 71 1HN ABA 13 1HN ABA 13 -0.324 0.349 2.563 72 HA ABA 13 HA ABA 13 -3.060 1.080 1.827 73 2HB ABA 13 2HB ABA 13 -3.499 1.830 3.897 74 1HG ABA 13 1HG ABA 13 -1.696 2.939 4.951 75 2HG ABA 13 2HG ABA 13 -1.309 2.895 3.231 76 3HG ABA 13 3HG ABA 13 -0.524 1.771 4.342 77 H LEU 14 H LEU 14 -3.385 -0.701 0.764 78 HA LEU 14 HA LEU 14 -2.855 -3.308 1.740 79 1HB LEU 14 1HB LEU 14 -5.008 -2.853 2.897 80 2HB LEU 14 2HB LEU 14 -5.753 -2.530 1.344 81 HG LEU 14 HG LEU 14 -5.280 -4.890 0.683 82 1HD1 LEU 14 1HD1 LEU 14 -4.153 -4.943 3.444 83 2HD1 LEU 14 2HD1 LEU 14 -3.518 -5.640 1.954 84 3HD1 LEU 14 3HD1 LEU 14 -4.889 -6.396 2.767 85 1HD2 LEU 14 1HD2 LEU 14 -6.868 -4.758 3.235 86 2HD2 LEU 14 2HD2 LEU 14 -7.126 -5.806 1.841 87 3HD2 LEU 14 3HD2 LEU 14 -7.441 -4.077 1.711 88 1HN ABA 15 1HN ABA 15 -4.173 -1.057 -0.474 89 HA ABA 15 HA ABA 15 -3.828 -2.857 -2.770 90 2HB ABA 15 2HB ABA 15 -2.183 -0.626 -2.131 91 1HG ABA 15 1HG ABA 15 -2.482 -2.340 -4.588 92 2HG ABA 15 2HG ABA 15 -1.264 -2.469 -3.317 93 3HG ABA 15 3HG ABA 15 -1.231 -1.107 -4.437 94 1HN DHA 16 1HN DHA 16 -4.554 0.492 -2.220 95 2HB DHA 16 2HB DHA 16 -5.888 0.438 -5.104 96 3HB DHA 16 3HB DHA 16 -7.370 1.514 -4.787 97 H GLU 17 H GLU 17 -6.844 0.029 -0.801 98 HA GLU 17 HA GLU 17 -9.066 1.858 -0.419 99 1HB GLU 17 1HB GLU 17 -9.098 -0.495 0.426 100 2HB GLU 17 2HB GLU 17 -7.809 -0.073 1.543 101 1HG GLU 17 1HG GLU 17 -9.830 -0.021 2.759 102 2HG GLU 17 2HG GLU 17 -9.338 1.653 2.515 103 H CYS 18 H CYS 18 -5.715 1.586 0.386 104 HA CYS 18 HA CYS 18 -5.818 3.902 2.165 105 1HB CYS 18 1HB CYS 18 -3.580 2.087 1.286 106 2HB CYS 18 2HB CYS 18 -3.276 3.601 2.120 107 H ILE 19 H ILE 19 -3.239 3.358 -0.126 108 HA ILE 19 HA ILE 19 -3.866 5.944 -1.299 109 HB ILE 19 HB ILE 19 -1.302 4.367 -1.571 110 1HG1 ILE 19 1HG1 ILE 19 -0.456 6.429 -0.212 111 2HG1 ILE 19 2HG1 ILE 19 -2.141 6.599 0.261 112 1HG2 ILE 19 1HG2 ILE 19 -2.008 7.167 -2.431 113 2HG2 ILE 19 2HG2 ILE 19 -1.715 5.790 -3.493 114 3HG2 ILE 19 3HG2 ILE 19 -0.400 6.450 -2.519 115 1HD1 ILE 19 1HD1 ILE 19 -2.057 4.272 1.130 116 2HD1 ILE 19 2HD1 ILE 19 -0.996 5.406 1.968 117 3HD1 ILE 19 3HD1 ILE 19 -0.326 4.266 0.800 118 1HN TEE 20 1HN TEE 20 -2.429 2.955 -2.550 119 HB2 TEE 20 HB2 TEE 20 -2.737 0.763 -3.801 120 HA TEE 20 3HA TEE 20 -4.433 2.426 -4.477 Start of MODEL 12 1 1H CYS 1 1H CYS 1 10.384 -0.189 0.545 2 2H CYS 1 2H CYS 1 9.566 -0.208 -0.943 3 3H CYS 1 3H CYS 1 8.705 -0.438 0.500 4 HA CYS 1 HA CYS 1 8.222 1.726 0.116 5 1HB CYS 1 1HB CYS 1 9.232 1.628 2.293 6 2HB CYS 1 2HB CYS 1 10.849 1.705 1.604 7 1HN ABA 2 1HN ABA 2 9.808 3.865 -2.188 8 HA ABA 2 HA ABA 2 8.010 4.930 -1.320 9 2HB ABA 2 2HB ABA 2 7.356 4.467 1.082 10 1HG ABA 2 1HG ABA 2 8.885 6.272 0.444 11 2HG ABA 2 2HG ABA 2 10.249 5.159 0.559 12 3HG ABA 2 3HG ABA 2 9.321 5.573 2.003 13 H PHE 3 H PHE 3 5.921 4.037 0.325 14 HA PHE 3 HA PHE 3 4.935 1.514 -0.535 15 1HB PHE 3 1HB PHE 3 2.805 2.263 0.520 16 2HB PHE 3 2HB PHE 3 4.202 2.393 1.580 17 HD1 PHE 3 HD1 PHE 3 4.831 4.444 2.516 18 HD2 PHE 3 HD2 PHE 3 1.896 4.351 -0.564 19 HE1 PHE 3 HE1 PHE 3 4.285 6.796 2.968 20 HE2 PHE 3 HE2 PHE 3 1.351 6.704 -0.118 21 HZ PHE 3 HZ PHE 3 2.537 7.928 1.654 22 1HN ABA 4 1HN ABA 4 3.098 1.124 -1.844 23 HA ABA 4 HA ABA 4 3.019 2.805 -4.192 24 2HB ABA 4 2HB ABA 4 0.817 2.692 -2.280 25 1HG ABA 4 1HG ABA 4 0.773 4.324 -4.768 26 2HG ABA 4 2HG ABA 4 2.009 4.663 -3.556 27 3HG ABA 4 3HG ABA 4 0.300 4.757 -3.125 28 H LEU 5 H LEU 5 4.190 0.925 -4.912 29 HA LEU 5 HA LEU 5 2.507 -1.468 -5.242 30 1HB LEU 5 1HB LEU 5 4.463 -0.371 -7.272 31 2HB LEU 5 2HB LEU 5 3.577 -1.876 -7.419 32 HG LEU 5 HG LEU 5 2.340 0.879 -7.349 33 1HD1 LEU 5 1HD1 LEU 5 3.542 0.528 -9.415 34 2HD1 LEU 5 2HD1 LEU 5 1.807 0.409 -9.714 35 3HD1 LEU 5 3HD1 LEU 5 2.788 -1.054 -9.622 36 1HD2 LEU 5 1HD2 LEU 5 0.377 -0.606 -8.264 37 2HD2 LEU 5 2HD2 LEU 5 0.653 -0.441 -6.529 38 3HD2 LEU 5 3HD2 LEU 5 1.216 -1.881 -7.379 39 HA PRO 6 HA PRO 6 6.502 -2.617 -3.356 40 1HB PRO 6 1HB PRO 6 5.590 -3.087 -0.841 41 2HB PRO 6 2HB PRO 6 5.942 -1.468 -1.444 42 1HG PRO 6 1HG PRO 6 3.364 -2.633 -0.782 43 2HG PRO 6 2HG PRO 6 3.749 -0.954 -1.192 44 1HD PRO 6 1HD PRO 6 2.696 -3.110 -2.910 45 2HD PRO 6 2HD PRO 6 2.649 -1.348 -3.153 46 H GLY 7 H GLY 7 4.612 -4.422 -1.150 47 1HA GLY 7 1HA GLY 7 4.100 -6.774 -2.568 48 2HA GLY 7 2HA GLY 7 5.710 -6.904 -1.871 49 H GLY 8 H GLY 8 5.224 -8.491 -0.399 50 1HA GLY 8 1HA GLY 8 2.992 -8.368 1.369 51 2HA GLY 8 2HA GLY 8 4.384 -9.428 1.525 52 H GLY 9 H GLY 9 3.106 -8.210 3.702 53 1HA GLY 9 1HA GLY 9 3.808 -7.275 5.697 54 2HA GLY 9 2HA GLY 9 5.362 -6.940 4.950 55 H GLY 10 H GLY 10 5.788 -4.917 4.192 56 1HA GLY 10 1HA GLY 10 4.003 -2.801 4.987 57 2HA GLY 10 2HA GLY 10 5.568 -2.613 4.208 58 H VAL 11 H VAL 11 2.210 -2.491 3.796 59 HA VAL 11 HA VAL 11 2.577 -2.359 0.873 60 HB VAL 11 HB VAL 11 -0.124 -2.912 2.046 61 1HG1 VAL 11 1HG1 VAL 11 0.373 -4.349 -0.316 62 2HG1 VAL 11 2HG1 VAL 11 1.068 -2.744 -0.558 63 3HG1 VAL 11 3HG1 VAL 11 -0.630 -2.913 -0.113 64 1HG2 VAL 11 1HG2 VAL 11 1.649 -4.559 2.938 65 2HG2 VAL 11 2HG2 VAL 11 1.703 -5.164 1.282 66 3HG2 VAL 11 3HG2 VAL 11 0.191 -5.215 2.189 67 H CYS 12 H CYS 12 1.062 -0.953 -0.230 68 HA CYS 12 HA CYS 12 1.001 1.662 0.882 69 1HB CYS 12 1HB CYS 12 1.459 0.809 -1.479 70 2HB CYS 12 2HB CYS 12 -0.266 0.659 -1.598 71 1HN ABA 13 1HN ABA 13 -0.462 0.631 2.671 72 HA ABA 13 HA ABA 13 -3.260 1.018 1.912 73 2HB ABA 13 2HB ABA 13 -3.854 1.395 4.085 74 1HG ABA 13 1HG ABA 13 -1.654 2.783 3.270 75 2HG ABA 13 2HG ABA 13 -1.135 2.173 4.841 76 3HG ABA 13 3HG ABA 13 -2.600 3.145 4.714 77 H LEU 14 H LEU 14 -3.336 -0.703 0.710 78 HA LEU 14 HA LEU 14 -2.486 -3.299 1.492 79 1HB LEU 14 1HB LEU 14 -4.604 -3.436 2.603 80 2HB LEU 14 2HB LEU 14 -5.430 -2.705 1.244 81 HG LEU 14 HG LEU 14 -4.861 -4.751 -0.100 82 1HD1 LEU 14 1HD1 LEU 14 -3.809 -5.607 2.565 83 2HD1 LEU 14 2HD1 LEU 14 -3.078 -5.768 0.968 84 3HD1 LEU 14 3HD1 LEU 14 -4.443 -6.789 1.420 85 1HD2 LEU 14 1HD2 LEU 14 -6.656 -4.745 2.280 86 2HD2 LEU 14 2HD2 LEU 14 -6.506 -6.205 1.302 87 3HD2 LEU 14 3HD2 LEU 14 -7.058 -4.700 0.564 88 1HN ABA 15 1HN ABA 15 -4.214 -1.153 -0.643 89 HA ABA 15 HA ABA 15 -3.683 -2.778 -2.990 90 2HB ABA 15 2HB ABA 15 -2.705 0.020 -3.245 91 1HG ABA 15 1HG ABA 15 -1.247 -2.385 -4.208 92 2HG ABA 15 2HG ABA 15 -1.491 -0.821 -4.986 93 3HG ABA 15 3HG ABA 15 -2.800 -2.001 -4.950 94 1HN DHA 16 1HN DHA 16 -4.493 0.543 -2.077 95 2HB DHA 16 2HB DHA 16 -5.589 0.776 -5.146 96 3HB DHA 16 3HB DHA 16 -7.130 1.785 -4.839 97 H GLU 17 H GLU 17 -6.687 0.137 -0.853 98 HA GLU 17 HA GLU 17 -9.076 1.782 -0.567 99 1HB GLU 17 1HB GLU 17 -9.016 -0.604 0.218 100 2HB GLU 17 2HB GLU 17 -7.846 -0.121 1.436 101 1HG GLU 17 1HG GLU 17 -9.974 -0.233 2.479 102 2HG GLU 17 2HG GLU 17 -9.541 1.469 2.332 103 H CYS 18 H CYS 18 -5.771 1.590 0.514 104 HA CYS 18 HA CYS 18 -6.081 3.888 2.303 105 1HB CYS 18 1HB CYS 18 -3.535 2.497 1.467 106 2HB CYS 18 2HB CYS 18 -3.717 3.653 2.767 107 H ILE 19 H ILE 19 -3.467 3.234 0.046 108 HA ILE 19 HA ILE 19 -3.895 5.888 -1.068 109 HB ILE 19 HB ILE 19 -1.368 4.261 -1.253 110 1HG1 ILE 19 1HG1 ILE 19 -1.879 4.776 1.100 111 2HG1 ILE 19 2HG1 ILE 19 -0.483 5.691 0.540 112 1HG2 ILE 19 1HG2 ILE 19 -1.255 7.183 -1.420 113 2HG2 ILE 19 2HG2 ILE 19 -2.141 6.412 -2.739 114 3HG2 ILE 19 3HG2 ILE 19 -0.467 5.956 -2.413 115 1HD1 ILE 19 1HD1 ILE 19 -2.278 6.856 1.980 116 2HD1 ILE 19 2HD1 ILE 19 -3.207 6.913 0.482 117 3HD1 ILE 19 3HD1 ILE 19 -1.629 7.698 0.572 118 1HN TEE 20 1HN TEE 20 -2.181 3.107 -2.404 119 HB2 TEE 20 3HB TEE 20 -3.799 0.927 -4.972 120 HA TEE 20 3HA TEE 20 -4.169 2.594 -4.388
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