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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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649647 |
6ve9 ![]() ![]() |
30702 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ABA 1 HT1 ABU 1 4.950 -5.521 -2.126 2 H2 ABA 1 HT2 ABU 1 4.918 -5.361 -0.435 3 H3 ABA 1 HT3 ABU 1 6.083 -4.528 -1.349 4 HA ABA 1 HA ABU 1 3.235 -4.046 -1.882 5 HB2 ABA 1 HB2 ABU 1 3.987 -2.030 -0.137 6 HG1 ABA 1 HG1 ABU 1 1.895 -3.714 -0.466 7 HG3 ABA 1 HG3 ABU 1 2.574 -4.369 1.025 8 HG2 ABA 1 HG2 ABU 1 2.081 -2.677 0.948 9 H DBU 2 HN DHB 2 5.295 -4.062 -3.720 10 HB DBU 2 HB DHB 2 6.541 -1.579 -6.381 11 HG1 DBU 2 HG1 DHB 2 4.594 -3.874 -6.197 12 HG2 DBU 2 HG2 DHB 2 6.245 -4.316 -6.635 13 HG3 DBU 2 HG3 DHB 2 5.333 -3.198 -7.650 14 HA PRO 3 HA PRO 3 7.725 1.439 -3.540 15 HB2 PRO 3 HB2 PRO 3 5.780 3.363 -3.912 16 HB3 PRO 3 HB1 PRO 3 6.893 2.815 -5.182 17 HG2 PRO 3 HG2 PRO 3 4.063 2.036 -4.678 18 HG3 PRO 3 HG1 PRO 3 4.899 2.323 -6.214 19 HD2 PRO 3 HD2 PRO 3 4.399 -0.183 -5.287 20 HD3 PRO 3 HD1 PRO 3 5.843 0.198 -6.253 21 H ALA 4 HN ALA 4 4.484 0.520 -2.574 22 HA ALA 4 HA ALA 4 4.349 2.179 -0.249 23 HB1 ALA 4 HB1 ALA 4 2.826 -0.352 -0.237 24 HB2 ALA 4 HB2 ALA 4 2.524 0.695 -1.623 25 HB3 ALA 4 HB3 ALA 4 2.267 1.302 0.013 26 H CYS 5 HN CYS 5 5.937 -0.748 -1.035 27 HA CYS 5 HA CYS 5 6.353 -1.424 1.802 28 HB2 CYS 5 HB2 CYS 5 6.483 -2.963 -0.759 29 HB3 CYS 5 HB1 CYS 5 7.492 -3.482 0.592 30 H PHE 6 HN PHE 6 7.646 0.851 0.436 31 HA PHE 6 HA PHE 6 10.275 0.272 -0.345 32 HB2 PHE 6 HB2 PHE 6 9.646 2.460 -0.815 33 HB3 PHE 6 HB1 PHE 6 8.923 2.704 0.774 34 HD1 PHE 6 HD1 PHE 6 12.241 1.160 0.188 35 HD2 PHE 6 HD2 PHE 6 10.122 4.695 1.394 36 HE1 PHE 6 HE1 PHE 6 14.359 2.143 1.017 37 HE2 PHE 6 HE2 PHE 6 12.241 5.684 2.219 38 HZ PHE 6 HZ PHE 6 14.361 4.408 2.030 39 H DBU 7 HN DHB 7 8.988 1.134 2.880 40 HB DBU 7 HB DHB 7 11.096 -0.796 5.767 41 HG1 DBU 7 HG1 DHB 7 9.536 -1.811 3.310 42 HG2 DBU 7 HG2 DHB 7 9.325 -2.454 4.941 43 HG3 DBU 7 HG3 DHB 7 10.836 -2.730 4.072 44 H ILE 8 HN ILE 8 9.629 1.751 6.131 45 HA ILE 8 HA ILE 8 10.930 4.231 5.746 46 HB ILE 8 HB ILE 8 9.699 2.977 8.206 47 HG12 ILE 8 HG12 ILE 8 8.687 5.230 6.453 48 HG13 ILE 8 HG11 ILE 8 8.280 3.538 6.150 49 HG21 ILE 8 HG21 ILE 8 9.634 5.511 8.863 50 HG22 ILE 8 HG22 ILE 8 10.973 5.661 7.723 51 HG23 ILE 8 HG23 ILE 8 11.121 4.601 9.125 52 HD11 ILE 8 HD11 ILE 8 7.893 4.639 8.910 53 HD12 ILE 8 HD12 ILE 8 7.010 3.355 8.085 54 HD13 ILE 8 HD13 ILE 8 6.712 5.041 7.664 55 H GLY 9 HN GLY 9 11.731 1.443 7.808 56 HA2 GLY 9 HA2 GLY 9 14.288 2.732 8.505 57 HA3 GLY 9 HA1 GLY 9 13.572 1.360 9.339 58 H LEU 10 HN LEU 10 13.318 -0.650 7.953 59 HA LEU 10 HA LEU 10 15.847 -1.460 6.987 60 HB2 LEU 10 HB2 LEU 10 14.916 -3.548 6.805 61 HB3 LEU 10 HB1 LEU 10 13.711 -2.808 7.856 62 HG LEU 10 HG LEU 10 12.507 -2.118 5.676 63 HD11 LEU 10 HD11 LEU 10 14.785 -3.613 4.643 64 HD12 LEU 10 HD12 LEU 10 13.626 -2.603 3.776 65 HD13 LEU 10 HD13 LEU 10 13.255 -4.299 4.098 66 HD21 LEU 10 HD21 LEU 10 11.191 -3.746 6.515 67 HD22 LEU 10 HD22 LEU 10 12.586 -4.610 7.163 68 HD23 LEU 10 HD23 LEU 10 12.073 -4.885 5.498 69 H GLY 11 HN GLY 11 12.902 -0.400 5.358 70 HA2 GLY 11 HA2 GLY 11 13.183 -0.987 2.772 71 HA3 GLY 11 HA1 GLY 11 12.754 0.644 3.275 72 H VAL 12 HN VAL 12 15.248 1.300 4.508 73 HA VAL 12 HA VAL 12 16.663 2.315 2.288 74 HB VAL 12 HB VAL 12 16.745 3.305 4.561 75 HG11 VAL 12 HG11 VAL 12 18.726 1.218 5.386 76 HG12 VAL 12 HG12 VAL 12 17.007 0.849 5.528 77 HG13 VAL 12 HG13 VAL 12 17.684 2.234 6.385 78 HG21 VAL 12 HG21 VAL 12 18.540 3.812 2.942 79 HG22 VAL 12 HG22 VAL 12 19.441 2.399 3.492 80 HG23 VAL 12 HG23 VAL 12 19.179 3.759 4.584 81 H GLY 13 HN GLY 13 17.259 -0.515 4.364 82 HA2 GLY 13 HA2 GLY 13 19.723 -1.266 3.184 83 HA3 GLY 13 HA1 GLY 13 18.657 -2.326 4.101 84 H ALA 14 HN ALA 14 16.366 -2.297 2.556 85 HA ALA 14 HA ALA 14 17.057 -4.121 0.476 86 HB1 ALA 14 HB1 ALA 14 14.427 -2.694 0.952 87 HB2 ALA 14 HB2 ALA 14 14.908 -4.210 1.715 88 HB3 ALA 14 HB3 ALA 14 14.671 -4.138 -0.030 89 H LEU 15 HN LEU 15 16.096 -0.728 0.556 90 HA LEU 15 HA LEU 15 16.203 -0.468 -2.341 91 HB2 LEU 15 HB2 LEU 15 14.536 0.901 -1.533 92 HB3 LEU 15 HB1 LEU 15 15.401 1.259 -0.044 93 HG LEU 15 HG LEU 15 16.813 2.230 -2.408 94 HD11 LEU 15 HD11 LEU 15 13.932 2.855 -2.010 95 HD12 LEU 15 HD12 LEU 15 14.882 2.841 -3.496 96 HD13 LEU 15 HD13 LEU 15 14.999 4.208 -2.388 97 HD21 LEU 15 HD21 LEU 15 16.127 4.349 -0.746 98 HD22 LEU 15 HD22 LEU 15 17.607 3.393 -0.643 99 HD23 LEU 15 HD23 LEU 15 16.212 2.968 0.349 100 H PHE 16 HN PHE 16 17.709 1.414 0.273 101 HA PHE 16 HA PHE 16 19.857 2.291 -1.409 102 HB2 PHE 16 HB2 PHE 16 19.199 3.787 0.309 103 HB3 PHE 16 HB1 PHE 16 19.295 2.529 1.543 104 HD1 PHE 16 HD1 PHE 16 21.335 4.553 -0.831 105 HD2 PHE 16 HD2 PHE 16 21.331 2.030 2.644 106 HE1 PHE 16 HE1 PHE 16 23.713 5.124 -0.416 107 HE2 PHE 16 HE2 PHE 16 23.710 2.602 3.062 108 HZ PHE 16 HZ PHE 16 24.900 4.150 1.531 109 H DAL 17 HN DAL 17 19.420 -0.313 0.908 110 HA DAL 17 HA DAL 17 20.879 -1.915 1.700 111 HB1 DAL 17 HB2 DAL 17 23.080 -0.259 0.471 112 HB2 DAL 17 HB3 DAL 17 22.447 -0.005 2.092 113 H ALA 18 HN ALA 18 19.793 -1.516 -1.171 114 HA ALA 18 HA ALA 18 20.659 -4.020 -2.181 115 HB1 ALA 18 HB1 ALA 18 18.611 -3.642 -3.047 116 HB2 ALA 18 HB2 ALA 18 19.493 -2.812 -4.329 117 HB3 ALA 18 HB3 ALA 18 18.805 -1.888 -2.993 118 H LYS 19 HN LYS 19 21.531 -0.679 -3.110 119 HA LYS 19 HA LYS 19 23.476 -1.814 -5.018 120 HB2 LYS 19 HB2 LYS 19 23.642 0.687 -5.709 121 HB3 LYS 19 HB1 LYS 19 22.204 -0.217 -6.183 122 HG2 LYS 19 HG2 LYS 19 22.007 1.025 -3.519 123 HG3 LYS 19 HG1 LYS 19 22.170 2.182 -4.839 124 HD2 LYS 19 HD2 LYS 19 20.298 1.032 -6.030 125 HD3 LYS 19 HD1 LYS 19 20.095 -0.022 -4.629 126 HE2 LYS 19 HE2 LYS 19 19.630 1.922 -3.206 127 HE3 LYS 19 HE1 LYS 19 19.886 3.004 -4.573 128 HZ1 LYS 19 HZ1 LYS 19 17.522 2.496 -4.125 129 HZ2 LYS 19 HZ2 LYS 19 17.826 0.868 -4.502 130 HZ3 LYS 19 HZ3 LYS 19 18.015 2.067 -5.690 131 H PHE 20 HN PHE 20 23.061 0.222 -2.250 132 HA PHE 20 HA PHE 20 25.944 0.674 -1.986 133 HB2 PHE 20 HB2 PHE 20 23.593 1.828 -0.472 134 HB3 PHE 20 HB1 PHE 20 25.280 2.251 -0.198 135 HD1 PHE 20 HD1 PHE 20 22.407 2.578 -2.465 136 HD2 PHE 20 HD2 PHE 20 26.566 3.490 -1.891 137 HE1 PHE 20 HE1 PHE 20 22.299 4.237 -4.306 138 HE2 PHE 20 HE2 PHE 20 26.456 5.149 -3.731 139 HZ PHE 20 HZ PHE 20 24.323 5.523 -4.939 140 H CYS 21 HN CYS 21 26.503 0.710 0.506 141 HA CYS 21 HA CYS 21 27.060 -0.608 2.305 142 HB2 CYS 21 HB2 CYS 21 25.248 -1.357 3.627 143 HB3 CYS 21 HB1 CYS 21 24.596 0.020 2.744 Start of MODEL 2 1 H1 ABA 1 HT1 ABU 1 4.529 -5.856 -2.868 2 H2 ABA 1 HT2 ABU 1 5.876 -5.125 -3.602 3 H3 ABA 1 HT3 ABU 1 4.460 -5.398 -4.500 4 HA ABA 1 HA ABU 1 3.293 -3.710 -3.465 5 HB2 ABA 1 HB2 ABU 1 4.591 -2.614 -1.398 6 HG1 ABA 1 HG1 ABU 1 2.488 -3.301 -0.804 7 HG3 ABA 1 HG3 ABU 1 2.642 -4.839 -1.653 8 HG2 ABA 1 HG2 ABU 1 3.371 -4.635 -0.060 9 H DBU 2 HN DHB 2 4.183 -1.286 -2.841 10 HB DBU 2 HB DHB 2 6.329 0.817 -5.673 11 HG1 DBU 2 HG1 DHB 2 5.034 -1.875 -6.265 12 HG2 DBU 2 HG2 DHB 2 5.892 -0.830 -7.398 13 HG3 DBU 2 HG3 DHB 2 4.255 -0.419 -6.885 14 HA PRO 3 HA PRO 3 7.080 2.831 -1.856 15 HB2 PRO 3 HB2 PRO 3 4.885 4.085 -0.741 16 HB3 PRO 3 HB1 PRO 3 5.594 4.510 -2.311 17 HG2 PRO 3 HG2 PRO 3 3.193 2.868 -1.698 18 HG3 PRO 3 HG1 PRO 3 3.475 4.014 -3.020 19 HD2 PRO 3 HD2 PRO 3 3.603 1.312 -3.371 20 HD3 PRO 3 HD1 PRO 3 4.584 2.450 -4.322 21 H ALA 4 HN ALA 4 4.546 0.660 -0.787 22 HA ALA 4 HA ALA 4 5.231 0.985 2.029 23 HB1 ALA 4 HB1 ALA 4 2.964 0.575 1.865 24 HB2 ALA 4 HB2 ALA 4 3.563 -1.064 2.119 25 HB3 ALA 4 HB3 ALA 4 3.153 -0.518 0.493 26 H CYS 5 HN CYS 5 5.904 -1.157 -0.635 27 HA CYS 5 HA CYS 5 6.949 -3.303 0.964 28 HB2 CYS 5 HB2 CYS 5 6.825 -2.660 -1.945 29 HB3 CYS 5 HB1 CYS 5 8.043 -3.820 -1.406 30 H PHE 6 HN PHE 6 8.227 -0.395 -0.503 31 HA PHE 6 HA PHE 6 10.959 -0.994 -0.489 32 HB2 PHE 6 HB2 PHE 6 10.477 0.998 -1.573 33 HB3 PHE 6 HB1 PHE 6 9.365 1.535 -0.315 34 HD1 PHE 6 HD1 PHE 6 12.744 0.140 0.305 35 HD2 PHE 6 HD2 PHE 6 10.339 3.694 0.122 36 HE1 PHE 6 HE1 PHE 6 14.559 1.422 1.391 37 HE2 PHE 6 HE2 PHE 6 12.162 4.981 1.207 38 HZ PHE 6 HZ PHE 6 14.273 3.845 1.843 39 H DBU 7 HN DHB 7 8.968 0.513 2.084 40 HB DBU 7 HB DHB 7 10.173 -0.521 5.783 41 HG1 DBU 7 HG1 DHB 7 8.139 -1.837 4.248 42 HG2 DBU 7 HG2 DHB 7 9.214 -2.644 5.390 43 HG3 DBU 7 HG3 DHB 7 9.656 -2.539 3.686 44 H ILE 8 HN ILE 8 9.241 2.172 5.105 45 HA ILE 8 HA ILE 8 11.033 4.209 4.303 46 HB ILE 8 HB ILE 8 9.204 3.976 6.698 47 HG12 ILE 8 HG12 ILE 8 8.964 5.649 4.181 48 HG13 ILE 8 HG11 ILE 8 8.241 4.045 4.346 49 HG21 ILE 8 HG21 ILE 8 11.142 5.546 7.061 50 HG22 ILE 8 HG22 ILE 8 9.568 6.342 7.062 51 HG23 ILE 8 HG23 ILE 8 10.608 6.447 5.642 52 HD11 ILE 8 HD11 ILE 8 7.583 5.577 6.675 53 HD12 ILE 8 HD12 ILE 8 6.494 4.930 5.448 54 HD13 ILE 8 HD13 ILE 8 7.192 6.537 5.248 55 H GLY 9 HN GLY 9 10.957 2.145 7.200 56 HA2 GLY 9 HA2 GLY 9 13.284 3.375 8.366 57 HA3 GLY 9 HA1 GLY 9 12.484 1.912 8.927 58 H LEU 10 HN LEU 10 13.316 -0.052 8.404 59 HA LEU 10 HA LEU 10 15.989 -0.227 7.509 60 HB2 LEU 10 HB2 LEU 10 15.841 -2.433 8.067 61 HB3 LEU 10 HB1 LEU 10 14.358 -1.907 8.859 62 HG LEU 10 HG LEU 10 13.183 -2.401 6.623 63 HD11 LEU 10 HD11 LEU 10 15.952 -3.276 6.069 64 HD12 LEU 10 HD12 LEU 10 14.674 -2.808 4.946 65 HD13 LEU 10 HD13 LEU 10 14.707 -4.441 5.616 66 HD21 LEU 10 HD21 LEU 10 13.969 -5.052 7.343 67 HD22 LEU 10 HD22 LEU 10 12.505 -4.189 7.813 68 HD23 LEU 10 HD23 LEU 10 13.953 -4.077 8.813 69 H GLY 11 HN GLY 11 12.907 -0.498 5.884 70 HA2 GLY 11 HA2 GLY 11 13.309 -1.752 3.557 71 HA3 GLY 11 HA1 GLY 11 12.470 -0.208 3.624 72 H VAL 12 HN VAL 12 15.020 1.106 4.571 73 HA VAL 12 HA VAL 12 15.945 2.048 2.073 74 HB VAL 12 HB VAL 12 16.138 3.238 4.290 75 HG11 VAL 12 HG11 VAL 12 17.903 2.656 5.799 76 HG12 VAL 12 HG12 VAL 12 18.585 1.493 4.660 77 HG13 VAL 12 HG13 VAL 12 17.043 1.156 5.452 78 HG21 VAL 12 HG21 VAL 12 18.818 2.934 2.917 79 HG22 VAL 12 HG22 VAL 12 18.139 4.379 3.664 80 HG23 VAL 12 HG23 VAL 12 17.465 3.769 2.153 81 H GLY 13 HN GLY 13 17.224 -0.405 4.296 82 HA2 GLY 13 HA2 GLY 13 19.679 -0.882 3.073 83 HA3 GLY 13 HA1 GLY 13 18.755 -2.091 3.960 84 H ALA 14 HN ALA 14 16.477 -2.252 2.363 85 HA ALA 14 HA ALA 14 17.399 -3.955 0.260 86 HB1 ALA 14 HB1 ALA 14 14.600 -2.960 0.206 87 HB2 ALA 14 HB2 ALA 14 15.091 -3.845 1.650 88 HB3 ALA 14 HB3 ALA 14 15.212 -4.608 0.064 89 H LEU 15 HN LEU 15 16.121 -0.703 0.474 90 HA LEU 15 HA LEU 15 15.924 -0.237 -2.340 91 HB2 LEU 15 HB2 LEU 15 14.577 1.048 -0.804 92 HB3 LEU 15 HB1 LEU 15 16.013 1.624 0.044 93 HG LEU 15 HG LEU 15 16.758 2.670 -2.134 94 HD11 LEU 15 HD11 LEU 15 14.355 1.271 -2.987 95 HD12 LEU 15 HD12 LEU 15 15.642 1.977 -3.965 96 HD13 LEU 15 HD13 LEU 15 14.299 2.980 -3.415 97 HD21 LEU 15 HD21 LEU 15 14.060 3.783 -1.443 98 HD22 LEU 15 HD22 LEU 15 15.591 4.628 -1.670 99 HD23 LEU 15 HD23 LEU 15 15.294 3.727 -0.183 100 H PHE 16 HN PHE 16 18.023 1.400 0.014 101 HA PHE 16 HA PHE 16 19.976 1.857 -2.112 102 HB2 PHE 16 HB2 PHE 16 19.327 3.128 0.479 103 HB3 PHE 16 HB1 PHE 16 21.029 3.127 0.017 104 HD1 PHE 16 HD1 PHE 16 17.656 4.310 -0.862 105 HD2 PHE 16 HD2 PHE 16 21.799 4.267 -1.991 106 HE1 PHE 16 HE1 PHE 16 17.233 6.146 -2.476 107 HE2 PHE 16 HE2 PHE 16 21.378 6.104 -3.605 108 HZ PHE 16 HZ PHE 16 19.094 7.043 -3.848 109 H DAL 17 HN DAL 17 19.575 0.023 0.828 110 HA DAL 17 HA DAL 17 20.945 -1.470 1.901 111 HB1 DAL 17 HB2 DAL 17 23.192 0.043 0.563 112 HB2 DAL 17 HB3 DAL 17 22.458 0.479 2.101 113 H ALA 18 HN ALA 18 19.916 -1.840 -0.866 114 HA ALA 18 HA ALA 18 21.047 -4.383 -1.357 115 HB1 ALA 18 HB1 ALA 18 19.703 -4.115 -3.564 116 HB2 ALA 18 HB2 ALA 18 19.117 -2.624 -2.825 117 HB3 ALA 18 HB3 ALA 18 18.835 -4.173 -2.030 118 H LYS 19 HN LYS 19 21.554 -1.259 -3.016 119 HA LYS 19 HA LYS 19 23.529 -2.597 -4.744 120 HB2 LYS 19 HB2 LYS 19 23.422 -0.650 -6.174 121 HB3 LYS 19 HB1 LYS 19 21.778 -1.189 -5.840 122 HG2 LYS 19 HG2 LYS 19 22.650 0.685 -3.814 123 HG3 LYS 19 HG1 LYS 19 22.833 1.387 -5.421 124 HD2 LYS 19 HD2 LYS 19 20.468 0.632 -5.918 125 HD3 LYS 19 HD1 LYS 19 20.316 0.207 -4.212 126 HE2 LYS 19 HE2 LYS 19 20.851 2.534 -3.584 127 HE3 LYS 19 HE1 LYS 19 20.999 2.959 -5.288 128 HZ1 LYS 19 HZ1 LYS 19 18.591 1.753 -5.188 129 HZ2 LYS 19 HZ2 LYS 19 18.840 3.433 -5.140 130 HZ3 LYS 19 HZ3 LYS 19 18.633 2.560 -3.697 131 H PHE 20 HN PHE 20 23.094 -0.275 -2.248 132 HA PHE 20 HA PHE 20 25.984 0.289 -2.203 133 HB2 PHE 20 HB2 PHE 20 23.650 1.822 -1.027 134 HB3 PHE 20 HB1 PHE 20 25.344 2.215 -0.734 135 HD1 PHE 20 HD1 PHE 20 22.565 2.486 -3.033 136 HD2 PHE 20 HD2 PHE 20 26.839 2.765 -2.709 137 HE1 PHE 20 HE1 PHE 20 22.646 3.740 -5.170 138 HE2 PHE 20 HE2 PHE 20 26.920 4.021 -4.846 139 HZ PHE 20 HZ PHE 20 24.823 4.508 -6.077 140 H CYS 21 HN CYS 21 26.651 0.741 0.187 141 HA CYS 21 HA CYS 21 27.200 -0.269 2.189 142 HB2 CYS 21 HB2 CYS 21 25.426 -0.505 3.696 143 HB3 CYS 21 HB1 CYS 21 24.776 0.641 2.524 Start of MODEL 3 1 H1 ABA 1 HT1 ABU 1 4.490 -5.955 -3.091 2 H2 ABA 1 HT2 ABU 1 5.960 -5.114 -3.230 3 H3 ABA 1 HT3 ABU 1 4.872 -5.150 -4.534 4 HA ABA 1 HA ABU 1 3.271 -3.857 -3.317 5 HB2 ABA 1 HB2 ABU 1 4.339 -2.872 -1.091 6 HG1 ABA 1 HG1 ABU 1 2.230 -4.019 -1.070 7 HG3 ABA 1 HG3 ABU 1 2.998 -5.565 -1.429 8 HG2 ABA 1 HG2 ABU 1 3.239 -4.806 0.145 9 H DBU 2 HN DHB 2 3.564 -1.448 -2.884 10 HB DBU 2 HB DHB 2 5.560 1.186 -5.237 11 HG1 DBU 2 HG1 DHB 2 5.166 -0.959 -6.826 12 HG2 DBU 2 HG2 DHB 2 4.022 0.379 -6.933 13 HG3 DBU 2 HG3 DHB 2 3.624 -1.048 -5.975 14 HA PRO 3 HA PRO 3 6.774 2.742 -1.425 15 HB2 PRO 3 HB2 PRO 3 4.103 3.400 -0.274 16 HB3 PRO 3 HB1 PRO 3 5.388 4.486 -0.841 17 HG2 PRO 3 HG2 PRO 3 3.170 4.097 -2.261 18 HG3 PRO 3 HG1 PRO 3 4.747 4.317 -3.039 19 HD2 PRO 3 HD2 PRO 3 3.157 1.808 -2.682 20 HD3 PRO 3 HD1 PRO 3 4.236 2.281 -4.014 21 H ALA 4 HN ALA 4 4.097 0.698 -0.289 22 HA ALA 4 HA ALA 4 4.948 0.618 2.438 23 HB1 ALA 4 HB1 ALA 4 2.936 -0.788 0.765 24 HB2 ALA 4 HB2 ALA 4 2.751 -0.008 2.335 25 HB3 ALA 4 HB3 ALA 4 3.471 -1.615 2.228 26 H CYS 5 HN CYS 5 5.723 -1.206 -0.437 27 HA CYS 5 HA CYS 5 7.058 -3.331 1.006 28 HB2 CYS 5 HB2 CYS 5 6.579 -2.669 -1.862 29 HB3 CYS 5 HB1 CYS 5 7.937 -3.728 -1.466 30 H PHE 6 HN PHE 6 7.901 -0.284 -0.483 31 HA PHE 6 HA PHE 6 10.654 -0.640 -0.803 32 HB2 PHE 6 HB2 PHE 6 9.778 1.333 -1.725 33 HB3 PHE 6 HB1 PHE 6 8.956 1.776 -0.229 34 HD1 PHE 6 HD1 PHE 6 12.380 0.438 -0.175 35 HD2 PHE 6 HD2 PHE 6 9.989 4.006 -0.170 36 HE1 PHE 6 HE1 PHE 6 14.350 1.754 0.551 37 HE2 PHE 6 HE2 PHE 6 11.961 5.327 0.547 38 HZ PHE 6 HZ PHE 6 14.142 4.201 0.909 39 H DBU 7 HN DHB 7 8.868 0.610 2.049 40 HB DBU 7 HB DHB 7 10.719 -0.490 5.486 41 HG1 DBU 7 HG1 DHB 7 8.775 -2.161 4.466 42 HG2 DBU 7 HG2 DHB 7 10.370 -2.781 4.892 43 HG3 DBU 7 HG3 DHB 7 10.006 -2.358 3.218 44 H ILE 8 HN ILE 8 9.322 1.940 5.283 45 HA ILE 8 HA ILE 8 10.548 4.351 4.435 46 HB ILE 8 HB ILE 8 9.253 3.569 7.051 47 HG12 ILE 8 HG12 ILE 8 8.269 5.369 4.820 48 HG13 ILE 8 HG11 ILE 8 7.886 3.647 4.907 49 HG21 ILE 8 HG21 ILE 8 10.939 5.788 6.505 50 HG22 ILE 8 HG22 ILE 8 9.930 5.529 7.927 51 HG23 ILE 8 HG23 ILE 8 9.285 6.399 6.536 52 HD11 ILE 8 HD11 ILE 8 6.078 4.942 5.929 53 HD12 ILE 8 HD12 ILE 8 7.227 5.735 7.007 54 HD13 ILE 8 HD13 ILE 8 6.912 4.007 7.170 55 H GLY 9 HN GLY 9 11.376 2.067 7.036 56 HA2 GLY 9 HA2 GLY 9 13.849 3.595 7.534 57 HA3 GLY 9 HA1 GLY 9 13.152 2.397 8.616 58 H LEU 10 HN LEU 10 13.022 0.129 7.638 59 HA LEU 10 HA LEU 10 15.630 -0.748 7.002 60 HB2 LEU 10 HB2 LEU 10 14.777 -2.870 7.182 61 HB3 LEU 10 HB1 LEU 10 13.484 -1.990 7.993 62 HG LEU 10 HG LEU 10 12.395 -1.795 5.663 63 HD11 LEU 10 HD11 LEU 10 14.761 -3.462 5.101 64 HD12 LEU 10 HD12 LEU 10 13.769 -2.508 3.997 65 HD13 LEU 10 HD13 LEU 10 13.247 -4.123 4.481 66 HD21 LEU 10 HD21 LEU 10 11.550 -4.201 5.839 67 HD22 LEU 10 HD22 LEU 10 11.402 -3.227 7.302 68 HD23 LEU 10 HD23 LEU 10 12.703 -4.408 7.157 69 H GLY 11 HN GLY 11 12.846 0.057 5.045 70 HA2 GLY 11 HA2 GLY 11 13.302 -1.090 2.632 71 HA3 GLY 11 HA1 GLY 11 12.743 0.570 2.795 72 H VAL 12 HN VAL 12 15.189 1.488 4.091 73 HA VAL 12 HA VAL 12 16.643 2.283 1.807 74 HB VAL 12 HB VAL 12 16.666 3.581 3.884 75 HG11 VAL 12 HG11 VAL 12 17.302 2.743 5.919 76 HG12 VAL 12 HG12 VAL 12 18.527 1.681 5.216 77 HG13 VAL 12 HG13 VAL 12 16.824 1.218 5.176 78 HG21 VAL 12 HG21 VAL 12 19.338 2.440 3.024 79 HG22 VAL 12 HG22 VAL 12 19.185 3.818 4.113 80 HG23 VAL 12 HG23 VAL 12 18.578 3.928 2.462 81 H GLY 13 HN GLY 13 17.130 -0.332 4.150 82 HA2 GLY 13 HA2 GLY 13 19.689 -1.141 3.206 83 HA3 GLY 13 HA1 GLY 13 18.581 -2.127 4.157 84 H ALA 14 HN ALA 14 16.388 -2.294 2.510 85 HA ALA 14 HA ALA 14 17.201 -4.282 0.633 86 HB1 ALA 14 HB1 ALA 14 15.056 -4.812 1.088 87 HB2 ALA 14 HB2 ALA 14 14.615 -3.557 -0.070 88 HB3 ALA 14 HB3 ALA 14 14.694 -3.180 1.650 89 H LEU 15 HN LEU 15 16.210 -0.929 0.415 90 HA LEU 15 HA LEU 15 16.372 -0.865 -2.483 91 HB2 LEU 15 HB2 LEU 15 14.676 0.517 -1.657 92 HB3 LEU 15 HB1 LEU 15 15.666 1.091 -0.318 93 HG LEU 15 HG LEU 15 16.966 1.757 -2.788 94 HD11 LEU 15 HD11 LEU 15 15.006 1.871 -4.028 95 HD12 LEU 15 HD12 LEU 15 15.045 3.492 -3.335 96 HD13 LEU 15 HD13 LEU 15 14.018 2.250 -2.618 97 HD21 LEU 15 HD21 LEU 15 17.140 2.830 -0.496 98 HD22 LEU 15 HD22 LEU 15 15.562 3.558 -0.799 99 HD23 LEU 15 HD23 LEU 15 16.935 3.967 -1.828 100 H PHE 16 HN PHE 16 17.822 1.228 -0.011 101 HA PHE 16 HA PHE 16 20.010 1.947 -1.721 102 HB2 PHE 16 HB2 PHE 16 19.305 3.626 -0.224 103 HB3 PHE 16 HB1 PHE 16 19.311 2.520 1.149 104 HD1 PHE 16 HD1 PHE 16 21.421 4.478 -1.164 105 HD2 PHE 16 HD2 PHE 16 21.360 1.911 2.277 106 HE1 PHE 16 HE1 PHE 16 23.777 5.080 -0.674 107 HE2 PHE 16 HE2 PHE 16 23.715 2.513 2.770 108 HZ PHE 16 HZ PHE 16 24.924 4.098 1.293 109 H DAL 17 HN DAL 17 19.525 -0.399 0.838 110 HA DAL 17 HA DAL 17 20.945 -1.921 1.817 111 HB1 DAL 17 HB2 DAL 17 23.187 -0.259 0.670 112 HB2 DAL 17 HB3 DAL 17 22.411 0.058 2.216 113 H ALA 18 HN ALA 18 20.106 -1.738 -1.157 114 HA ALA 18 HA ALA 18 21.109 -4.280 -1.918 115 HB1 ALA 18 HB1 ALA 18 19.166 -4.058 -3.021 116 HB2 ALA 18 HB2 ALA 18 20.093 -3.163 -4.226 117 HB3 ALA 18 HB3 ALA 18 19.233 -2.297 -2.953 118 H LYS 19 HN LYS 19 21.951 -0.983 -3.037 119 HA LYS 19 HA LYS 19 24.078 -2.187 -4.697 120 HB2 LYS 19 HB2 LYS 19 24.175 0.450 -5.309 121 HB3 LYS 19 HB1 LYS 19 23.152 -0.706 -6.161 122 HG2 LYS 19 HG2 LYS 19 22.118 0.625 -3.676 123 HG3 LYS 19 HG1 LYS 19 22.099 1.506 -5.203 124 HD2 LYS 19 HD2 LYS 19 20.999 -0.660 -6.159 125 HD3 LYS 19 HD1 LYS 19 20.644 -1.023 -4.469 126 HE2 LYS 19 HE2 LYS 19 19.738 1.360 -6.090 127 HE3 LYS 19 HE1 LYS 19 18.740 0.165 -5.261 128 HZ1 LYS 19 HZ1 LYS 19 20.507 1.355 -3.420 129 HZ2 LYS 19 HZ2 LYS 19 18.808 1.386 -3.434 130 HZ3 LYS 19 HZ3 LYS 19 19.689 2.580 -4.262 131 H PHE 20 HN PHE 20 23.367 0.015 -2.126 132 HA PHE 20 HA PHE 20 26.205 0.569 -1.652 133 HB2 PHE 20 HB2 PHE 20 23.715 1.756 -0.393 134 HB3 PHE 20 HB1 PHE 20 25.374 2.271 -0.077 135 HD1 PHE 20 HD1 PHE 20 22.586 2.344 -2.439 136 HD2 PHE 20 HD2 PHE 20 26.723 3.345 -1.861 137 HE1 PHE 20 HE1 PHE 20 22.505 3.823 -4.427 138 HE2 PHE 20 HE2 PHE 20 26.642 4.825 -3.850 139 HZ PHE 20 HZ PHE 20 24.533 5.065 -5.133 140 H CYS 21 HN CYS 21 26.592 0.761 0.842 141 HA CYS 21 HA CYS 21 27.044 -0.430 2.755 142 HB2 CYS 21 HB2 CYS 21 25.162 -1.071 4.011 143 HB3 CYS 21 HB1 CYS 21 24.549 0.209 2.967 Start of MODEL 4 1 H1 ABA 1 HT1 ABU 1 5.081 -5.723 -3.865 2 H2 ABA 1 HT2 ABU 1 5.425 -6.259 -2.289 3 H3 ABA 1 HT3 ABU 1 6.253 -4.922 -2.935 4 HA ABA 1 HA ABU 1 3.316 -4.922 -2.581 5 HB2 ABA 1 HB2 ABU 1 4.320 -3.352 -0.559 6 HG1 ABA 1 HG1 ABU 1 2.449 -5.052 -0.532 7 HG3 ABA 1 HG3 ABU 1 3.672 -6.302 -0.306 8 HG2 ABA 1 HG2 ABU 1 3.451 -5.053 0.920 9 H DBU 2 HN DHB 2 3.046 -2.375 -1.776 10 HB DBU 2 HB DHB 2 3.321 0.646 -4.504 11 HG1 DBU 2 HG1 DHB 2 1.855 -1.950 -4.815 12 HG2 DBU 2 HG2 DHB 2 3.259 -1.796 -5.870 13 HG3 DBU 2 HG3 DHB 2 1.949 -0.620 -5.969 14 HA PRO 3 HA PRO 3 5.058 2.479 -0.964 15 HB2 PRO 3 HB2 PRO 3 2.987 3.318 0.643 16 HB3 PRO 3 HB1 PRO 3 3.232 3.862 -1.029 17 HG2 PRO 3 HG2 PRO 3 1.358 1.819 0.041 18 HG3 PRO 3 HG1 PRO 3 1.125 2.999 -1.260 19 HD2 PRO 3 HD2 PRO 3 1.650 0.354 -1.731 20 HD3 PRO 3 HD1 PRO 3 2.132 1.650 -2.846 21 H ALA 4 HN ALA 4 3.347 -0.226 0.382 22 HA ALA 4 HA ALA 4 4.336 0.188 3.083 23 HB1 ALA 4 HB1 ALA 4 2.615 -1.152 3.578 24 HB2 ALA 4 HB2 ALA 4 3.378 -2.472 2.691 25 HB3 ALA 4 HB3 ALA 4 2.286 -1.364 1.859 26 H CYS 5 HN CYS 5 5.243 -1.586 0.215 27 HA CYS 5 HA CYS 5 7.086 -3.350 1.538 28 HB2 CYS 5 HB2 CYS 5 6.392 -2.707 -1.290 29 HB3 CYS 5 HB1 CYS 5 7.952 -3.469 -0.970 30 H PHE 6 HN PHE 6 7.270 -0.200 -0.010 31 HA PHE 6 HA PHE 6 10.055 0.029 -0.237 32 HB2 PHE 6 HB2 PHE 6 8.693 1.666 -1.313 33 HB3 PHE 6 HB1 PHE 6 7.902 2.101 0.203 34 HD1 PHE 6 HD1 PHE 6 11.528 1.509 -0.513 35 HD2 PHE 6 HD2 PHE 6 8.497 4.343 0.602 36 HE1 PHE 6 HE1 PHE 6 13.281 3.207 -0.063 37 HE2 PHE 6 HE2 PHE 6 10.249 6.041 1.047 38 HZ PHE 6 HZ PHE 6 12.640 5.473 0.713 39 H DBU 7 HN DHB 7 7.896 0.923 2.469 40 HB DBU 7 HB DHB 7 9.232 0.705 6.150 41 HG1 DBU 7 HG1 DHB 7 8.022 -1.377 4.373 42 HG2 DBU 7 HG2 DHB 7 6.827 -0.314 5.116 43 HG3 DBU 7 HG3 DHB 7 7.915 -1.262 6.130 44 H ILE 8 HN ILE 8 9.550 2.694 5.962 45 HA ILE 8 HA ILE 8 11.080 4.705 4.653 46 HB ILE 8 HB ILE 8 11.262 5.744 6.808 47 HG12 ILE 8 HG12 ILE 8 10.348 3.098 7.992 48 HG13 ILE 8 HG11 ILE 8 12.007 3.701 8.039 49 HG21 ILE 8 HG21 ILE 8 9.071 6.217 6.630 50 HG22 ILE 8 HG22 ILE 8 8.703 4.752 7.541 51 HG23 ILE 8 HG23 ILE 8 8.791 4.696 5.780 52 HD11 ILE 8 HD11 ILE 8 10.164 5.738 8.952 53 HD12 ILE 8 HD12 ILE 8 11.545 5.031 9.792 54 HD13 ILE 8 HD13 ILE 8 9.963 4.255 9.887 55 H GLY 9 HN GLY 9 11.943 2.044 6.844 56 HA2 GLY 9 HA2 GLY 9 14.793 2.674 6.479 57 HA3 GLY 9 HA1 GLY 9 14.124 1.593 7.696 58 H LEU 10 HN LEU 10 12.444 0.068 5.977 59 HA LEU 10 HA LEU 10 14.230 -1.917 5.108 60 HB2 LEU 10 HB2 LEU 10 11.929 -2.420 5.712 61 HB3 LEU 10 HB1 LEU 10 11.335 -1.421 4.387 62 HG LEU 10 HG LEU 10 11.432 -3.942 3.973 63 HD11 LEU 10 HD11 LEU 10 11.817 -1.742 2.301 64 HD12 LEU 10 HD12 LEU 10 11.411 -3.379 1.785 65 HD13 LEU 10 HD13 LEU 10 13.096 -2.864 1.836 66 HD21 LEU 10 HD21 LEU 10 14.374 -3.358 3.573 67 HD22 LEU 10 HD22 LEU 10 13.565 -4.921 3.459 68 HD23 LEU 10 HD23 LEU 10 13.742 -4.130 5.026 69 H GLY 11 HN GLY 11 12.470 0.597 3.337 70 HA2 GLY 11 HA2 GLY 11 13.163 -0.194 0.733 71 HA3 GLY 11 HA1 GLY 11 12.727 1.438 1.221 72 H VAL 12 HN VAL 12 14.818 1.955 3.025 73 HA VAL 12 HA VAL 12 16.829 2.819 1.240 74 HB VAL 12 HB VAL 12 16.145 3.535 3.741 75 HG11 VAL 12 HG11 VAL 12 17.698 2.809 5.379 76 HG12 VAL 12 HG12 VAL 12 18.761 2.085 4.172 77 HG13 VAL 12 HG13 VAL 12 17.210 1.332 4.549 78 HG21 VAL 12 HG21 VAL 12 17.617 4.672 1.994 79 HG22 VAL 12 HG22 VAL 12 18.981 3.833 2.733 80 HG23 VAL 12 HG23 VAL 12 18.039 4.988 3.677 81 H GLY 13 HN GLY 13 16.601 0.040 3.419 82 HA2 GLY 13 HA2 GLY 13 19.249 -0.897 3.075 83 HA3 GLY 13 HA1 GLY 13 17.875 -1.871 3.589 84 H ALA 14 HN ALA 14 16.239 -1.529 1.303 85 HA ALA 14 HA ALA 14 17.341 -3.526 -0.411 86 HB1 ALA 14 HB1 ALA 14 15.266 -2.575 -1.841 87 HB2 ALA 14 HB2 ALA 14 14.835 -1.953 -0.249 88 HB3 ALA 14 HB3 ALA 14 15.066 -3.685 -0.485 89 H LEU 15 HN LEU 15 16.874 -0.046 -0.638 90 HA LEU 15 HA LEU 15 17.955 0.098 -3.327 91 HB2 LEU 15 HB2 LEU 15 17.424 2.406 -1.464 92 HB3 LEU 15 HB1 LEU 15 17.398 2.388 -3.223 93 HG LEU 15 HG LEU 15 15.539 0.554 -1.801 94 HD11 LEU 15 HD11 LEU 15 14.863 3.466 -2.218 95 HD12 LEU 15 HD12 LEU 15 15.453 2.844 -0.676 96 HD13 LEU 15 HD13 LEU 15 13.934 2.248 -1.345 97 HD21 LEU 15 HD21 LEU 15 15.937 0.965 -4.385 98 HD22 LEU 15 HD22 LEU 15 14.883 2.352 -4.112 99 HD23 LEU 15 HD23 LEU 15 14.302 0.722 -3.771 100 H PHE 16 HN PHE 16 18.815 1.630 -0.237 101 HA PHE 16 HA PHE 16 21.445 2.330 -1.127 102 HB2 PHE 16 HB2 PHE 16 20.289 3.706 0.499 103 HB3 PHE 16 HB1 PHE 16 20.178 2.348 1.616 104 HD1 PHE 16 HD1 PHE 16 22.513 4.703 -0.033 105 HD2 PHE 16 HD2 PHE 16 22.053 1.616 2.916 106 HE1 PHE 16 HE1 PHE 16 24.767 5.226 0.862 107 HE2 PHE 16 HE2 PHE 16 24.307 2.140 3.815 108 HZ PHE 16 HZ PHE 16 25.664 3.944 2.787 109 H DAL 17 HN DAL 17 20.063 -0.304 0.745 110 HA DAL 17 HA DAL 17 21.034 -2.146 1.739 111 HB1 DAL 17 HB2 DAL 17 23.683 -0.768 1.292 112 HB2 DAL 17 HB3 DAL 17 22.675 -0.538 2.713 113 H ALA 18 HN ALA 18 20.771 -1.460 -1.241 114 HA ALA 18 HA ALA 18 21.550 -3.999 -2.225 115 HB1 ALA 18 HB1 ALA 18 20.245 -1.584 -3.270 116 HB2 ALA 18 HB2 ALA 18 19.852 -3.284 -3.526 117 HB3 ALA 18 HB3 ALA 18 21.126 -2.521 -4.478 118 H LYS 19 HN LYS 19 23.043 -0.771 -2.668 119 HA LYS 19 HA LYS 19 25.239 -2.103 -4.121 120 HB2 LYS 19 HB2 LYS 19 25.932 0.353 -4.557 121 HB3 LYS 19 HB1 LYS 19 24.536 -0.279 -5.427 122 HG2 LYS 19 HG2 LYS 19 23.947 0.929 -2.787 123 HG3 LYS 19 HG1 LYS 19 24.498 2.051 -4.031 124 HD2 LYS 19 HD2 LYS 19 22.769 1.110 -5.577 125 HD3 LYS 19 HD1 LYS 19 22.168 0.126 -4.243 126 HE2 LYS 19 HE2 LYS 19 21.680 2.142 -2.941 127 HE3 LYS 19 HE1 LYS 19 22.343 3.152 -4.224 128 HZ1 LYS 19 HZ1 LYS 19 20.649 2.146 -5.720 129 HZ2 LYS 19 HZ2 LYS 19 20.001 3.110 -4.480 130 HZ3 LYS 19 HZ3 LYS 19 19.944 1.416 -4.362 131 H PHE 20 HN PHE 20 24.411 -0.160 -1.373 132 HA PHE 20 HA PHE 20 27.173 -0.212 -0.387 133 HB2 PHE 20 HB2 PHE 20 24.730 1.249 0.653 134 HB3 PHE 20 HB1 PHE 20 26.356 1.369 1.323 135 HD1 PHE 20 HD1 PHE 20 24.153 2.302 -1.457 136 HD2 PHE 20 HD2 PHE 20 28.172 2.442 0.050 137 HE1 PHE 20 HE1 PHE 20 24.718 4.047 -3.125 138 HE2 PHE 20 HE2 PHE 20 28.737 4.187 -1.617 139 HZ PHE 20 HZ PHE 20 27.010 4.991 -3.205 140 H CYS 21 HN CYS 21 27.142 -0.465 2.127 141 HA CYS 21 HA CYS 21 27.038 -2.003 3.836 142 HB2 CYS 21 HB2 CYS 21 24.885 -2.390 4.690 143 HB3 CYS 21 HB1 CYS 21 24.692 -0.891 3.781 Start of MODEL 5 1 H1 ABA 1 HT1 ABU 1 3.718 -5.183 -3.261 2 H2 ABA 1 HT2 ABU 1 4.546 -6.022 -2.037 3 H3 ABA 1 HT3 ABU 1 5.208 -4.603 -2.696 4 HA ABA 1 HA ABU 1 2.627 -4.670 -1.242 5 HB2 ABA 1 HB2 ABU 1 4.463 -3.351 0.350 6 HG1 ABA 1 HG1 ABU 1 2.673 -5.460 0.531 7 HG3 ABA 1 HG3 ABU 1 4.211 -6.200 0.976 8 HG2 ABA 1 HG2 ABU 1 3.616 -4.799 1.866 9 H DBU 2 HN DHB 2 4.406 -3.292 -3.604 10 HB DBU 2 HB DHB 2 3.435 0.221 -5.049 11 HG1 DBU 2 HG1 DHB 2 1.903 -2.311 -5.205 12 HG2 DBU 2 HG2 DHB 2 3.310 -2.354 -6.268 13 HG3 DBU 2 HG3 DHB 2 2.092 -1.095 -6.469 14 HA PRO 3 HA PRO 3 5.652 2.185 -1.939 15 HB2 PRO 3 HB2 PRO 3 3.622 3.430 -0.544 16 HB3 PRO 3 HB1 PRO 3 3.998 3.742 -2.250 17 HG2 PRO 3 HG2 PRO 3 1.878 2.021 -1.064 18 HG3 PRO 3 HG1 PRO 3 1.808 3.088 -2.478 19 HD2 PRO 3 HD2 PRO 3 2.060 0.395 -2.717 20 HD3 PRO 3 HD1 PRO 3 2.797 1.520 -3.881 21 H ALA 4 HN ALA 4 3.347 0.137 -0.230 22 HA ALA 4 HA ALA 4 4.326 0.685 2.398 23 HB1 ALA 4 HB1 ALA 4 2.125 -0.193 2.239 24 HB2 ALA 4 HB2 ALA 4 3.101 -1.483 2.940 25 HB3 ALA 4 HB3 ALA 4 2.656 -1.542 1.235 26 H CYS 5 HN CYS 5 5.235 -1.510 -0.159 27 HA CYS 5 HA CYS 5 6.818 -3.258 1.453 28 HB2 CYS 5 HB2 CYS 5 6.373 -2.835 -1.446 29 HB3 CYS 5 HB1 CYS 5 7.915 -3.561 -0.987 30 H PHE 6 HN PHE 6 7.350 -0.165 -0.048 31 HA PHE 6 HA PHE 6 10.144 -0.122 -0.203 32 HB2 PHE 6 HB2 PHE 6 9.035 1.706 -1.183 33 HB3 PHE 6 HB1 PHE 6 8.091 2.029 0.272 34 HD1 PHE 6 HD1 PHE 6 11.678 1.840 -0.856 35 HD2 PHE 6 HD2 PHE 6 8.786 3.706 1.717 36 HE1 PHE 6 HE1 PHE 6 13.417 3.420 -0.042 37 HE2 PHE 6 HE2 PHE 6 10.519 5.282 2.523 38 HZ PHE 6 HZ PHE 6 12.831 5.140 1.645 39 H DBU 7 HN DHB 7 8.019 0.809 2.528 40 HB DBU 7 HB DHB 7 9.420 0.176 6.181 41 HG1 DBU 7 HG1 DHB 7 7.035 -0.780 5.587 42 HG2 DBU 7 HG2 DHB 7 8.321 -1.984 5.685 43 HG3 DBU 7 HG3 DHB 7 7.790 -1.388 4.112 44 H ILE 8 HN ILE 8 9.518 2.457 5.957 45 HA ILE 8 HA ILE 8 11.243 4.363 4.779 46 HB ILE 8 HB ILE 8 10.504 3.852 7.665 47 HG12 ILE 8 HG12 ILE 8 8.671 4.547 6.127 48 HG13 ILE 8 HG11 ILE 8 9.039 5.793 7.322 49 HG21 ILE 8 HG21 ILE 8 11.373 6.535 7.136 50 HG22 ILE 8 HG22 ILE 8 12.637 5.419 6.619 51 HG23 ILE 8 HG23 ILE 8 12.042 5.371 8.279 52 HD11 ILE 8 HD11 ILE 8 9.413 7.246 5.649 53 HD12 ILE 8 HD12 ILE 8 9.147 5.976 4.454 54 HD13 ILE 8 HD13 ILE 8 10.762 6.244 5.112 55 H GLY 9 HN GLY 9 11.863 1.727 7.088 56 HA2 GLY 9 HA2 GLY 9 14.720 2.324 7.108 57 HA3 GLY 9 HA1 GLY 9 13.906 1.077 8.046 58 H LEU 10 HN LEU 10 12.612 -0.397 6.176 59 HA LEU 10 HA LEU 10 14.675 -2.007 5.097 60 HB2 LEU 10 HB2 LEU 10 13.007 -3.481 4.560 61 HB3 LEU 10 HB1 LEU 10 12.104 -2.479 5.694 62 HG LEU 10 HG LEU 10 11.502 -1.043 3.626 63 HD11 LEU 10 HD11 LEU 10 12.322 -1.706 1.639 64 HD12 LEU 10 HD12 LEU 10 11.506 -3.258 1.822 65 HD13 LEU 10 HD13 LEU 10 13.148 -3.049 2.429 66 HD21 LEU 10 HD21 LEU 10 9.493 -2.101 3.679 67 HD22 LEU 10 HD22 LEU 10 10.238 -3.120 4.910 68 HD23 LEU 10 HD23 LEU 10 10.198 -3.653 3.230 69 H GLY 11 HN GLY 11 12.656 0.524 3.725 70 HA2 GLY 11 HA2 GLY 11 13.127 0.099 1.000 71 HA3 GLY 11 HA1 GLY 11 12.772 1.660 1.731 72 H VAL 12 HN VAL 12 14.974 2.063 3.333 73 HA VAL 12 HA VAL 12 16.883 2.974 1.448 74 HB VAL 12 HB VAL 12 16.327 3.674 3.967 75 HG11 VAL 12 HG11 VAL 12 18.169 2.961 5.455 76 HG12 VAL 12 HG12 VAL 12 18.766 1.882 4.194 77 HG13 VAL 12 HG13 VAL 12 17.195 1.584 4.938 78 HG21 VAL 12 HG21 VAL 12 18.282 5.054 3.869 79 HG22 VAL 12 HG22 VAL 12 17.779 4.787 2.199 80 HG23 VAL 12 HG23 VAL 12 19.138 3.882 2.867 81 H GLY 13 HN GLY 13 16.733 0.149 3.563 82 HA2 GLY 13 HA2 GLY 13 19.354 -0.809 3.094 83 HA3 GLY 13 HA1 GLY 13 17.989 -1.777 3.642 84 H ALA 14 HN ALA 14 16.268 -1.363 1.423 85 HA ALA 14 HA ALA 14 17.285 -3.342 -0.362 86 HB1 ALA 14 HB1 ALA 14 14.891 -3.143 0.089 87 HB2 ALA 14 HB2 ALA 14 15.211 -2.929 -1.632 88 HB3 ALA 14 HB3 ALA 14 14.879 -1.526 -0.615 89 H LEU 15 HN LEU 15 16.925 0.150 -0.485 90 HA LEU 15 HA LEU 15 17.915 0.310 -3.224 91 HB2 LEU 15 HB2 LEU 15 17.399 2.597 -1.328 92 HB3 LEU 15 HB1 LEU 15 17.344 2.599 -3.086 93 HG LEU 15 HG LEU 15 15.515 0.796 -1.553 94 HD11 LEU 15 HD11 LEU 15 14.969 3.697 -2.225 95 HD12 LEU 15 HD12 LEU 15 15.283 3.079 -0.603 96 HD13 LEU 15 HD13 LEU 15 13.837 2.569 -1.477 97 HD21 LEU 15 HD21 LEU 15 14.273 1.977 -3.783 98 HD22 LEU 15 HD22 LEU 15 14.910 0.335 -3.676 99 HD23 LEU 15 HD23 LEU 15 15.925 1.635 -4.298 100 H PHE 16 HN PHE 16 18.826 1.826 -0.135 101 HA PHE 16 HA PHE 16 21.454 2.510 -1.060 102 HB2 PHE 16 HB2 PHE 16 20.354 3.889 0.610 103 HB3 PHE 16 HB1 PHE 16 20.229 2.515 1.707 104 HD1 PHE 16 HD1 PHE 16 22.546 4.937 0.161 105 HD2 PHE 16 HD2 PHE 16 22.157 1.631 2.875 106 HE1 PHE 16 HE1 PHE 16 24.822 5.393 1.039 107 HE2 PHE 16 HE2 PHE 16 24.432 2.088 3.757 108 HZ PHE 16 HZ PHE 16 25.765 3.969 2.840 109 H DAL 17 HN DAL 17 20.035 -0.114 0.797 110 HA DAL 17 HA DAL 17 20.996 -1.955 1.818 111 HB1 DAL 17 HB2 DAL 17 23.669 -0.710 1.182 112 HB2 DAL 17 HB3 DAL 17 22.754 -0.380 2.646 113 H ALA 18 HN ALA 18 20.569 -1.348 -1.155 114 HA ALA 18 HA ALA 18 21.223 -3.929 -2.125 115 HB1 ALA 18 HB1 ALA 18 20.743 -2.440 -4.381 116 HB2 ALA 18 HB2 ALA 18 19.903 -1.518 -3.134 117 HB3 ALA 18 HB3 ALA 18 19.505 -3.216 -3.392 118 H LYS 19 HN LYS 19 22.781 -0.761 -2.652 119 HA LYS 19 HA LYS 19 24.852 -2.122 -4.247 120 HB2 LYS 19 HB2 LYS 19 25.527 0.320 -4.747 121 HB3 LYS 19 HB1 LYS 19 24.034 -0.278 -5.471 122 HG2 LYS 19 HG2 LYS 19 23.593 0.825 -2.801 123 HG3 LYS 19 HG1 LYS 19 24.286 2.010 -3.908 124 HD2 LYS 19 HD2 LYS 19 22.515 1.306 -5.594 125 HD3 LYS 19 HD1 LYS 19 21.749 0.406 -4.285 126 HE2 LYS 19 HE2 LYS 19 20.650 2.497 -4.248 127 HE3 LYS 19 HE1 LYS 19 21.849 2.627 -2.962 128 HZ1 LYS 19 HZ1 LYS 19 23.038 3.386 -5.385 129 HZ2 LYS 19 HZ2 LYS 19 22.751 4.336 -4.006 130 HZ3 LYS 19 HZ3 LYS 19 21.576 4.232 -5.229 131 H PHE 20 HN PHE 20 24.259 -0.195 -1.430 132 HA PHE 20 HA PHE 20 27.083 -0.306 -0.638 133 HB2 PHE 20 HB2 PHE 20 24.784 1.243 0.577 134 HB3 PHE 20 HB1 PHE 20 26.477 1.359 1.048 135 HD1 PHE 20 HD1 PHE 20 23.942 2.406 -1.326 136 HD2 PHE 20 HD2 PHE 20 28.173 2.203 -0.619 137 HE1 PHE 20 HE1 PHE 20 24.321 4.090 -3.104 138 HE2 PHE 20 HE2 PHE 20 28.552 3.889 -2.398 139 HZ PHE 20 HZ PHE 20 26.626 4.834 -3.640 140 H CYS 21 HN CYS 21 27.148 -0.444 1.913 141 HA CYS 21 HA CYS 21 27.072 -1.897 3.692 142 HB2 CYS 21 HB2 CYS 21 24.931 -2.258 4.611 143 HB3 CYS 21 HB1 CYS 21 24.744 -0.775 3.681 Start of MODEL 6 1 H1 ABA 1 HT1 ABU 1 5.958 -5.453 -3.340 2 H2 ABA 1 HT2 ABU 1 4.391 -5.790 -3.905 3 H3 ABA 1 HT3 ABU 1 4.773 -6.018 -2.265 4 HA ABA 1 HA ABU 1 3.541 -3.854 -3.189 5 HB2 ABA 1 HB2 ABU 1 4.741 -2.744 -1.102 6 HG1 ABA 1 HG1 ABU 1 3.385 -4.921 0.090 7 HG3 ABA 1 HG3 ABU 1 2.722 -3.332 -0.295 8 HG2 ABA 1 HG2 ABU 1 2.601 -4.647 -1.466 9 H DBU 2 HN DHB 2 4.173 -1.570 -3.389 10 HB DBU 2 HB DHB 2 6.801 0.128 -5.972 11 HG1 DBU 2 HG1 DHB 2 4.951 -2.298 -6.352 12 HG2 DBU 2 HG2 DHB 2 6.393 -1.995 -7.321 13 HG3 DBU 2 HG3 DHB 2 5.004 -0.917 -7.447 14 HA PRO 3 HA PRO 3 7.524 2.417 -2.302 15 HB2 PRO 3 HB2 PRO 3 5.416 4.014 -1.537 16 HB3 PRO 3 HB1 PRO 3 6.260 4.157 -3.092 17 HG2 PRO 3 HG2 PRO 3 3.663 2.855 -2.458 18 HG3 PRO 3 HG1 PRO 3 4.142 3.791 -3.884 19 HD2 PRO 3 HD2 PRO 3 4.008 1.060 -3.887 20 HD3 PRO 3 HD1 PRO 3 5.138 1.971 -4.913 21 H ALA 4 HN ALA 4 4.768 0.556 -1.269 22 HA ALA 4 HA ALA 4 5.122 1.198 1.546 23 HB1 ALA 4 HB1 ALA 4 2.945 0.442 0.133 24 HB2 ALA 4 HB2 ALA 4 3.104 0.194 1.872 25 HB3 ALA 4 HB3 ALA 4 3.461 -1.124 0.757 26 H CYS 5 HN CYS 5 6.084 -1.269 -0.725 27 HA CYS 5 HA CYS 5 6.903 -3.163 1.296 28 HB2 CYS 5 HB2 CYS 5 7.054 -3.014 -1.682 29 HB3 CYS 5 HB1 CYS 5 8.163 -4.098 -0.837 30 H PHE 6 HN PHE 6 8.306 -0.477 -0.399 31 HA PHE 6 HA PHE 6 11.024 -1.086 -0.189 32 HB2 PHE 6 HB2 PHE 6 10.644 0.810 -1.463 33 HB3 PHE 6 HB1 PHE 6 9.454 1.460 -0.334 34 HD1 PHE 6 HD1 PHE 6 12.780 0.105 0.581 35 HD2 PHE 6 HD2 PHE 6 10.406 3.639 0.037 36 HE1 PHE 6 HE1 PHE 6 14.536 1.448 1.687 37 HE2 PHE 6 HE2 PHE 6 12.168 4.992 1.142 38 HZ PHE 6 HZ PHE 6 14.235 3.897 1.969 39 H DBU 7 HN DHB 7 8.931 0.668 2.138 40 HB DBU 7 HB DHB 7 9.911 0.006 5.974 41 HG1 DBU 7 HG1 DHB 7 7.901 -1.455 5.348 42 HG2 DBU 7 HG2 DHB 7 9.402 -2.378 5.287 43 HG3 DBU 7 HG3 DHB 7 8.674 -1.778 3.796 44 H ILE 8 HN ILE 8 9.213 2.632 5.007 45 HA ILE 8 HA ILE 8 11.209 4.453 4.136 46 HB ILE 8 HB ILE 8 9.241 4.587 6.430 47 HG12 ILE 8 HG12 ILE 8 8.271 4.496 4.140 48 HG13 ILE 8 HG11 ILE 8 8.001 6.062 4.905 49 HG21 ILE 8 HG21 ILE 8 11.254 6.563 5.374 50 HG22 ILE 8 HG22 ILE 8 10.889 6.144 7.048 51 HG23 ILE 8 HG23 ILE 8 9.755 7.122 6.116 52 HD11 ILE 8 HD11 ILE 8 8.819 6.837 2.910 53 HD12 ILE 8 HD12 ILE 8 9.729 5.360 2.592 54 HD13 ILE 8 HD13 ILE 8 10.366 6.566 3.711 55 H GLY 9 HN GLY 9 10.768 2.684 7.187 56 HA2 GLY 9 HA2 GLY 9 13.051 3.833 8.466 57 HA3 GLY 9 HA1 GLY 9 12.170 2.403 8.999 58 H LEU 10 HN LEU 10 13.035 0.435 8.660 59 HA LEU 10 HA LEU 10 15.748 0.194 7.892 60 HB2 LEU 10 HB2 LEU 10 15.574 -1.983 8.569 61 HB3 LEU 10 HB1 LEU 10 14.097 -1.378 9.317 62 HG LEU 10 HG LEU 10 12.935 -1.991 7.097 63 HD11 LEU 10 HD11 LEU 10 14.422 -4.142 6.277 64 HD12 LEU 10 HD12 LEU 10 15.686 -2.970 6.656 65 HD13 LEU 10 HD13 LEU 10 14.432 -2.566 5.482 66 HD21 LEU 10 HD21 LEU 10 12.559 -4.259 7.852 67 HD22 LEU 10 HD22 LEU 10 12.781 -3.253 9.283 68 HD23 LEU 10 HD23 LEU 10 14.097 -4.278 8.715 69 H GLY 11 HN GLY 11 12.731 -0.136 6.174 70 HA2 GLY 11 HA2 GLY 11 13.204 -1.584 3.969 71 HA3 GLY 11 HA1 GLY 11 12.384 -0.033 3.887 72 H VAL 12 HN VAL 12 14.948 1.293 4.839 73 HA VAL 12 HA VAL 12 15.979 2.017 2.300 74 HB VAL 12 HB VAL 12 16.112 3.240 4.622 75 HG11 VAL 12 HG11 VAL 12 18.140 2.880 5.844 76 HG12 VAL 12 HG12 VAL 12 18.783 1.809 4.596 77 HG13 VAL 12 HG13 VAL 12 17.427 1.287 5.597 78 HG21 VAL 12 HG21 VAL 12 16.984 4.051 2.407 79 HG22 VAL 12 HG22 VAL 12 18.506 3.231 2.757 80 HG23 VAL 12 HG23 VAL 12 17.969 4.565 3.777 81 H GLY 13 HN GLY 13 17.043 -0.301 4.747 82 HA2 GLY 13 HA2 GLY 13 19.558 -0.935 3.769 83 HA3 GLY 13 HA1 GLY 13 18.504 -2.072 4.604 84 H ALA 14 HN ALA 14 16.451 -2.531 2.941 85 HA ALA 14 HA ALA 14 17.585 -4.177 0.917 86 HB1 ALA 14 HB1 ALA 14 15.147 -4.052 2.173 87 HB2 ALA 14 HB2 ALA 14 15.501 -5.039 0.753 88 HB3 ALA 14 HB3 ALA 14 14.761 -3.449 0.560 89 H LEU 15 HN LEU 15 15.945 -1.054 0.873 90 HA LEU 15 HA LEU 15 15.870 -0.694 -1.936 91 HB2 LEU 15 HB2 LEU 15 14.462 0.669 -0.608 92 HB3 LEU 15 HB1 LEU 15 15.798 1.193 0.416 93 HG LEU 15 HG LEU 15 16.817 2.281 -1.614 94 HD11 LEU 15 HD11 LEU 15 14.132 1.503 -2.769 95 HD12 LEU 15 HD12 LEU 15 15.722 1.005 -3.346 96 HD13 LEU 15 HD13 LEU 15 15.213 2.685 -3.506 97 HD21 LEU 15 HD21 LEU 15 14.013 3.275 -1.042 98 HD22 LEU 15 HD22 LEU 15 15.430 4.233 -1.474 99 HD23 LEU 15 HD23 LEU 15 15.341 3.454 0.106 100 H PHE 16 HN PHE 16 17.945 0.951 0.421 101 HA PHE 16 HA PHE 16 19.790 1.815 -1.591 102 HB2 PHE 16 HB2 PHE 16 19.354 2.234 1.267 103 HB3 PHE 16 HB1 PHE 16 21.062 2.132 0.841 104 HD1 PHE 16 HD1 PHE 16 17.866 3.750 -0.270 105 HD2 PHE 16 HD2 PHE 16 22.149 3.998 -0.051 106 HE1 PHE 16 HE1 PHE 16 17.779 6.051 -1.191 107 HE2 PHE 16 HE2 PHE 16 22.062 6.301 -0.973 108 HZ PHE 16 HZ PHE 16 19.876 7.327 -1.542 109 H DAL 17 HN DAL 17 19.545 -0.928 0.551 110 HA DAL 17 HA DAL 17 20.810 -2.854 0.697 111 HB1 DAL 17 HB2 DAL 17 23.091 -0.890 0.460 112 HB2 DAL 17 HB3 DAL 17 22.220 -1.236 1.944 113 H ALA 18 HN ALA 18 19.954 -1.869 -1.930 114 HA ALA 18 HA ALA 18 21.265 -3.809 -3.530 115 HB1 ALA 18 HB1 ALA 18 19.672 -3.317 -5.134 116 HB2 ALA 18 HB2 ALA 18 19.649 -1.599 -4.736 117 HB3 ALA 18 HB3 ALA 18 18.857 -2.762 -3.673 118 H LYS 19 HN LYS 19 21.548 -0.271 -3.363 119 HA LYS 19 HA LYS 19 23.613 -0.367 -5.463 120 HB2 LYS 19 HB2 LYS 19 23.380 2.129 -5.434 121 HB3 LYS 19 HB1 LYS 19 21.896 1.287 -5.877 122 HG2 LYS 19 HG2 LYS 19 22.070 1.620 -2.999 123 HG3 LYS 19 HG1 LYS 19 22.204 3.174 -3.819 124 HD2 LYS 19 HD2 LYS 19 20.176 2.113 -5.246 125 HD3 LYS 19 HD1 LYS 19 19.903 1.286 -3.709 126 HE2 LYS 19 HE2 LYS 19 19.851 3.426 -2.529 127 HE3 LYS 19 HE1 LYS 19 20.230 4.286 -4.022 128 HZ1 LYS 19 HZ1 LYS 19 17.764 2.800 -3.342 129 HZ2 LYS 19 HZ2 LYS 19 18.155 3.211 -4.944 130 HZ3 LYS 19 HZ3 LYS 19 17.920 4.430 -3.784 131 H PHE 20 HN PHE 20 23.125 -0.145 -2.149 132 HA PHE 20 HA PHE 20 25.937 0.616 -1.700 133 HB2 PHE 20 HB2 PHE 20 23.496 1.386 -0.085 134 HB3 PHE 20 HB1 PHE 20 25.154 1.597 0.477 135 HD1 PHE 20 HD1 PHE 20 22.547 2.833 -1.747 136 HD2 PHE 20 HD2 PHE 20 26.717 3.104 -0.757 137 HE1 PHE 20 HE1 PHE 20 22.715 4.939 -3.040 138 HE2 PHE 20 HE2 PHE 20 26.887 5.215 -2.047 139 HZ PHE 20 HZ PHE 20 24.886 6.134 -3.189 140 H CYS 21 HN CYS 21 26.456 -0.044 0.684 141 HA CYS 21 HA CYS 21 26.961 -1.819 2.060 142 HB2 CYS 21 HB2 CYS 21 25.119 -2.804 3.138 143 HB3 CYS 21 HB1 CYS 21 24.476 -1.254 2.585 Start of MODEL 7 1 H1 ABA 1 HT1 ABU 1 5.272 -4.689 -2.559 2 H2 ABA 1 HT2 ABU 1 3.822 -5.327 -3.173 3 H3 ABA 1 HT3 ABU 1 4.559 -6.036 -1.815 4 HA ABA 1 HA ABU 1 2.585 -4.608 -1.317 5 HB2 ABA 1 HB2 ABU 1 4.319 -3.170 0.302 6 HG1 ABA 1 HG1 ABU 1 4.054 -5.357 1.758 7 HG3 ABA 1 HG3 ABU 1 2.637 -4.385 1.363 8 HG2 ABA 1 HG2 ABU 1 2.982 -5.852 0.448 9 H DBU 2 HN DHB 2 5.441 -3.034 -2.689 10 HB DBU 2 HB DHB 2 4.698 0.210 -4.875 11 HG1 DBU 2 HG1 DHB 2 3.231 -1.934 -5.778 12 HG2 DBU 2 HG2 DHB 2 4.755 -2.761 -5.454 13 HG3 DBU 2 HG3 DHB 2 4.699 -1.437 -6.619 14 HA PRO 3 HA PRO 3 5.139 2.622 -1.395 15 HB2 PRO 3 HB2 PRO 3 2.356 2.398 -0.349 16 HB3 PRO 3 HB1 PRO 3 3.179 3.789 -1.083 17 HG2 PRO 3 HG2 PRO 3 1.346 2.399 -2.420 18 HG3 PRO 3 HG1 PRO 3 2.775 3.069 -3.226 19 HD2 PRO 3 HD2 PRO 3 2.196 0.233 -2.470 20 HD3 PRO 3 HD1 PRO 3 3.100 0.870 -3.863 21 H ALA 4 HN ALA 4 3.365 -0.081 0.073 22 HA ALA 4 HA ALA 4 4.275 0.605 2.748 23 HB1 ALA 4 HB1 ALA 4 3.167 -1.683 3.243 24 HB2 ALA 4 HB2 ALA 4 2.572 -1.587 1.586 25 HB3 ALA 4 HB3 ALA 4 2.128 -0.344 2.756 26 H CYS 5 HN CYS 5 5.182 -1.497 0.131 27 HA CYS 5 HA CYS 5 6.895 -3.206 1.681 28 HB2 CYS 5 HB2 CYS 5 6.318 -2.806 -1.219 29 HB3 CYS 5 HB1 CYS 5 7.829 -3.606 -0.774 30 H PHE 6 HN PHE 6 7.236 -0.176 -0.032 31 HA PHE 6 HA PHE 6 10.011 -0.095 -0.351 32 HB2 PHE 6 HB2 PHE 6 8.686 1.590 -1.401 33 HB3 PHE 6 HB1 PHE 6 8.003 2.105 0.143 34 HD1 PHE 6 HD1 PHE 6 11.537 1.273 -0.753 35 HD2 PHE 6 HD2 PHE 6 8.757 4.312 0.465 36 HE1 PHE 6 HE1 PHE 6 13.412 2.866 -0.449 37 HE2 PHE 6 HE2 PHE 6 10.632 5.907 0.768 38 HZ PHE 6 HZ PHE 6 12.960 5.184 0.310 39 H DBU 7 HN DHB 7 8.040 1.051 2.416 40 HB DBU 7 HB DHB 7 9.432 0.861 6.056 41 HG1 DBU 7 HG1 DHB 7 6.974 0.014 4.659 42 HG2 DBU 7 HG2 DHB 7 7.557 -0.556 6.222 43 HG3 DBU 7 HG3 DHB 7 8.122 -1.322 4.738 44 H ILE 8 HN ILE 8 9.876 2.945 5.670 45 HA ILE 8 HA ILE 8 11.742 4.560 4.284 46 HB ILE 8 HB ILE 8 11.110 4.307 7.230 47 HG12 ILE 8 HG12 ILE 8 10.426 6.490 5.241 48 HG13 ILE 8 HG11 ILE 8 9.344 5.142 5.606 49 HG21 ILE 8 HG21 ILE 8 12.895 5.611 7.654 50 HG22 ILE 8 HG22 ILE 8 12.254 6.831 6.553 51 HG23 ILE 8 HG23 ILE 8 13.336 5.576 5.948 52 HD11 ILE 8 HD11 ILE 8 10.352 6.370 8.040 53 HD12 ILE 8 HD12 ILE 8 8.684 6.094 7.540 54 HD13 ILE 8 HD13 ILE 8 9.530 7.551 7.020 55 H GLY 9 HN GLY 9 12.166 2.002 6.717 56 HA2 GLY 9 HA2 GLY 9 15.077 2.210 6.482 57 HA3 GLY 9 HA1 GLY 9 14.192 1.200 7.620 58 H LEU 10 HN LEU 10 12.476 -0.121 5.842 59 HA LEU 10 HA LEU 10 14.089 -2.252 4.964 60 HB2 LEU 10 HB2 LEU 10 11.742 -2.541 5.555 61 HB3 LEU 10 HB1 LEU 10 11.255 -1.496 4.222 62 HG LEU 10 HG LEU 10 11.131 -4.014 3.809 63 HD11 LEU 10 HD11 LEU 10 11.765 -1.860 2.144 64 HD12 LEU 10 HD12 LEU 10 11.187 -3.444 1.626 65 HD13 LEU 10 HD13 LEU 10 12.918 -3.115 1.693 66 HD21 LEU 10 HD21 LEU 10 13.128 -5.228 3.433 67 HD22 LEU 10 HD22 LEU 10 13.459 -4.314 4.904 68 HD23 LEU 10 HD23 LEU 10 14.105 -3.762 3.358 69 H GLY 11 HN GLY 11 12.516 0.399 3.196 70 HA2 GLY 11 HA2 GLY 11 13.324 -0.422 0.603 71 HA3 GLY 11 HA1 GLY 11 12.818 1.204 1.058 72 H VAL 12 HN VAL 12 14.799 1.578 3.087 73 HA VAL 12 HA VAL 12 16.897 2.674 1.560 74 HB VAL 12 HB VAL 12 16.614 2.029 4.500 75 HG11 VAL 12 HG11 VAL 12 18.992 1.950 3.943 76 HG12 VAL 12 HG12 VAL 12 18.632 3.437 4.821 77 HG13 VAL 12 HG13 VAL 12 18.860 3.478 3.073 78 HG21 VAL 12 HG21 VAL 12 16.009 4.262 4.737 79 HG22 VAL 12 HG22 VAL 12 15.335 3.912 3.145 80 HG23 VAL 12 HG23 VAL 12 16.877 4.758 3.282 81 H GLY 13 HN GLY 13 16.720 -0.304 3.511 82 HA2 GLY 13 HA2 GLY 13 19.387 -1.138 2.995 83 HA3 GLY 13 HA1 GLY 13 18.072 -2.173 3.548 84 H ALA 14 HN ALA 14 16.299 -1.735 1.375 85 HA ALA 14 HA ALA 14 17.296 -3.651 -0.486 86 HB1 ALA 14 HB1 ALA 14 14.954 -3.664 -0.128 87 HB2 ALA 14 HB2 ALA 14 15.158 -2.988 -1.744 88 HB3 ALA 14 HB3 ALA 14 14.826 -1.923 -0.379 89 H LEU 15 HN LEU 15 16.854 -0.168 -0.510 90 HA LEU 15 HA LEU 15 17.834 0.067 -3.255 91 HB2 LEU 15 HB2 LEU 15 16.998 2.193 -1.279 92 HB3 LEU 15 HB1 LEU 15 17.243 2.402 -3.006 93 HG LEU 15 HG LEU 15 15.210 0.548 -1.770 94 HD11 LEU 15 HD11 LEU 15 14.818 3.027 -1.457 95 HD12 LEU 15 HD12 LEU 15 13.556 2.182 -2.354 96 HD13 LEU 15 HD13 LEU 15 14.744 3.160 -3.214 97 HD21 LEU 15 HD21 LEU 15 16.176 0.007 -4.085 98 HD22 LEU 15 HD22 LEU 15 15.413 1.497 -4.637 99 HD23 LEU 15 HD23 LEU 15 14.425 0.182 -4.000 100 H PHE 16 HN PHE 16 18.536 1.714 -0.200 101 HA PHE 16 HA PHE 16 21.131 2.558 -1.057 102 HB2 PHE 16 HB2 PHE 16 19.859 3.908 0.493 103 HB3 PHE 16 HB1 PHE 16 19.774 2.576 1.642 104 HD1 PHE 16 HD1 PHE 16 22.084 4.964 -0.017 105 HD2 PHE 16 HD2 PHE 16 21.595 2.027 3.077 106 HE1 PHE 16 HE1 PHE 16 24.268 5.627 0.955 107 HE2 PHE 16 HE2 PHE 16 23.779 2.691 4.053 108 HZ PHE 16 HZ PHE 16 25.115 4.491 2.991 109 H DAL 17 HN DAL 17 19.841 -0.116 0.781 110 HA DAL 17 HA DAL 17 20.866 -1.845 1.911 111 HB1 DAL 17 HB2 DAL 17 23.499 -0.460 1.365 112 HB2 DAL 17 HB3 DAL 17 22.499 -0.156 2.780 113 H ALA 18 HN ALA 18 20.547 -1.315 -1.098 114 HA ALA 18 HA ALA 18 21.361 -3.894 -1.948 115 HB1 ALA 18 HB1 ALA 18 19.947 -1.606 -3.070 116 HB2 ALA 18 HB2 ALA 18 19.690 -3.331 -3.328 117 HB3 ALA 18 HB3 ALA 18 20.910 -2.471 -4.267 118 H LYS 19 HN LYS 19 22.823 -0.678 -2.597 119 HA LYS 19 HA LYS 19 25.001 -2.077 -4.016 120 HB2 LYS 19 HB2 LYS 19 25.677 0.317 -4.638 121 HB3 LYS 19 HB1 LYS 19 24.207 -0.313 -5.379 122 HG2 LYS 19 HG2 LYS 19 23.813 1.027 -2.774 123 HG3 LYS 19 HG1 LYS 19 24.348 2.082 -4.084 124 HD2 LYS 19 HD2 LYS 19 22.506 1.196 -5.508 125 HD3 LYS 19 HD1 LYS 19 21.942 0.237 -4.140 126 HE2 LYS 19 HE2 LYS 19 21.587 2.275 -2.827 127 HE3 LYS 19 HE1 LYS 19 22.207 3.257 -4.153 128 HZ1 LYS 19 HZ1 LYS 19 20.178 1.520 -5.079 129 HZ2 LYS 19 HZ2 LYS 19 20.236 3.217 -5.123 130 HZ3 LYS 19 HZ3 LYS 19 19.602 2.421 -3.762 131 H PHE 20 HN PHE 20 24.220 0.008 -1.357 132 HA PHE 20 HA PHE 20 27.004 -0.017 -0.429 133 HB2 PHE 20 HB2 PHE 20 24.598 1.555 0.537 134 HB3 PHE 20 HB1 PHE 20 26.221 1.670 1.215 135 HD1 PHE 20 HD1 PHE 20 24.066 2.504 -1.632 136 HD2 PHE 20 HD2 PHE 20 28.077 2.632 -0.097 137 HE1 PHE 20 HE1 PHE 20 24.688 4.133 -3.395 138 HE2 PHE 20 HE2 PHE 20 28.698 4.261 -1.861 139 HZ PHE 20 HZ PHE 20 27.004 5.011 -3.510 140 H CYS 21 HN CYS 21 27.033 -0.164 2.092 141 HA CYS 21 HA CYS 21 26.920 -1.633 3.869 142 HB2 CYS 21 HB2 CYS 21 24.793 -1.850 4.803 143 HB3 CYS 21 HB1 CYS 21 24.601 -0.431 3.774 Start of MODEL 8 1 H1 ABA 1 HT1 ABU 1 3.626 -5.542 -2.852 2 H2 ABA 1 HT2 ABU 1 4.335 -6.299 -1.506 3 H3 ABA 1 HT3 ABU 1 5.126 -5.004 -2.272 4 HA ABA 1 HA ABU 1 2.590 -4.880 -0.734 5 HB2 ABA 1 HB2 ABU 1 4.447 -3.034 0.233 6 HG1 ABA 1 HG1 ABU 1 4.487 -4.512 2.200 7 HG3 ABA 1 HG3 ABU 1 2.855 -4.412 1.540 8 HG2 ABA 1 HG2 ABU 1 3.847 -5.836 1.228 9 H DBU 2 HN DHB 2 5.057 -3.050 -2.561 10 HB DBU 2 HB DHB 2 3.354 -0.296 -4.998 11 HG1 DBU 2 HG1 DHB 2 2.596 -2.029 -6.391 12 HG2 DBU 2 HG2 DHB 2 1.983 -2.819 -4.937 13 HG3 DBU 2 HG3 DHB 2 3.608 -3.183 -5.519 14 HA PRO 3 HA PRO 3 4.906 2.427 -2.017 15 HB2 PRO 3 HB2 PRO 3 2.705 3.323 -0.614 16 HB3 PRO 3 HB1 PRO 3 2.943 3.554 -2.357 17 HG2 PRO 3 HG2 PRO 3 1.277 1.553 -0.922 18 HG3 PRO 3 HG1 PRO 3 0.955 2.421 -2.433 19 HD2 PRO 3 HD2 PRO 3 1.780 -0.180 -2.382 20 HD3 PRO 3 HD1 PRO 3 2.180 0.929 -3.713 21 H ALA 4 HN ALA 4 3.337 -0.019 -0.058 22 HA ALA 4 HA ALA 4 4.426 1.041 2.432 23 HB1 ALA 4 HB1 ALA 4 2.340 0.085 2.818 24 HB2 ALA 4 HB2 ALA 4 3.425 -1.232 3.267 25 HB3 ALA 4 HB3 ALA 4 2.628 -1.244 1.694 26 H CYS 5 HN CYS 5 5.157 -1.377 0.039 27 HA CYS 5 HA CYS 5 6.931 -2.970 1.575 28 HB2 CYS 5 HB2 CYS 5 6.328 -2.609 -1.311 29 HB3 CYS 5 HB1 CYS 5 7.895 -3.316 -0.907 30 H PHE 6 HN PHE 6 7.274 0.094 -0.044 31 HA PHE 6 HA PHE 6 10.042 0.190 -0.408 32 HB2 PHE 6 HB2 PHE 6 8.355 1.884 -1.208 33 HB3 PHE 6 HB1 PHE 6 8.293 2.509 0.438 34 HD1 PHE 6 HD1 PHE 6 9.033 4.559 -1.207 35 HD2 PHE 6 HD2 PHE 6 11.532 1.289 0.028 36 HE1 PHE 6 HE1 PHE 6 11.052 5.927 -1.663 37 HE2 PHE 6 HE2 PHE 6 13.548 2.659 -0.425 38 HZ PHE 6 HZ PHE 6 13.308 4.978 -1.271 39 H DBU 7 HN DHB 7 8.111 1.189 2.444 40 HB DBU 7 HB DHB 7 9.506 0.824 6.062 41 HG1 DBU 7 HG1 DHB 7 7.995 -1.018 6.015 42 HG2 DBU 7 HG2 DHB 7 7.911 -0.985 4.254 43 HG3 DBU 7 HG3 DHB 7 6.960 0.156 5.205 44 H ILE 8 HN ILE 8 10.037 2.824 5.847 45 HA ILE 8 HA ILE 8 11.881 4.534 4.509 46 HB ILE 8 HB ILE 8 10.562 5.293 6.436 47 HG12 ILE 8 HG12 ILE 8 13.503 5.263 7.168 48 HG13 ILE 8 HG11 ILE 8 12.852 6.261 5.865 49 HG21 ILE 8 HG21 ILE 8 10.931 2.934 7.562 50 HG22 ILE 8 HG22 ILE 8 10.742 4.370 8.568 51 HG23 ILE 8 HG23 ILE 8 12.349 3.714 8.260 52 HD11 ILE 8 HD11 ILE 8 12.443 6.495 8.819 53 HD12 ILE 8 HD12 ILE 8 11.121 6.978 7.755 54 HD13 ILE 8 HD13 ILE 8 12.695 7.762 7.618 55 H GLY 9 HN GLY 9 12.271 1.812 6.753 56 HA2 GLY 9 HA2 GLY 9 15.190 2.004 6.524 57 HA3 GLY 9 HA1 GLY 9 14.301 0.972 7.640 58 H LEU 10 HN LEU 10 12.535 -0.248 5.829 59 HA LEU 10 HA LEU 10 14.093 -2.386 4.874 60 HB2 LEU 10 HB2 LEU 10 11.721 -2.593 5.476 61 HB3 LEU 10 HB1 LEU 10 11.282 -1.557 4.118 62 HG LEU 10 HG LEU 10 11.098 -4.068 3.728 63 HD11 LEU 10 HD11 LEU 10 12.985 -3.246 1.665 64 HD12 LEU 10 HD12 LEU 10 11.836 -1.966 2.054 65 HD13 LEU 10 HD13 LEU 10 11.252 -3.548 1.537 66 HD21 LEU 10 HD21 LEU 10 13.153 -5.279 3.265 67 HD22 LEU 10 HD22 LEU 10 13.265 -4.593 4.886 68 HD23 LEU 10 HD23 LEU 10 14.113 -3.825 3.544 69 H GLY 11 HN GLY 11 12.582 0.359 3.195 70 HA2 GLY 11 HA2 GLY 11 13.370 -0.400 0.574 71 HA3 GLY 11 HA1 GLY 11 12.896 1.217 1.082 72 H VAL 12 HN VAL 12 14.861 1.548 3.098 73 HA VAL 12 HA VAL 12 16.979 2.624 1.592 74 HB VAL 12 HB VAL 12 16.655 1.977 4.525 75 HG11 VAL 12 HG11 VAL 12 18.930 3.520 3.256 76 HG12 VAL 12 HG12 VAL 12 19.066 1.846 3.797 77 HG13 VAL 12 HG13 VAL 12 18.728 3.126 4.963 78 HG21 VAL 12 HG21 VAL 12 16.929 4.650 3.135 79 HG22 VAL 12 HG22 VAL 12 16.307 4.325 4.754 80 HG23 VAL 12 HG23 VAL 12 15.368 3.855 3.337 81 H GLY 13 HN GLY 13 16.756 -0.371 3.509 82 HA2 GLY 13 HA2 GLY 13 19.416 -1.231 3.018 83 HA3 GLY 13 HA1 GLY 13 18.081 -2.257 3.536 84 H ALA 14 HN ALA 14 16.345 -1.791 1.349 85 HA ALA 14 HA ALA 14 17.369 -3.682 -0.526 86 HB1 ALA 14 HB1 ALA 14 15.190 -2.526 -1.746 87 HB2 ALA 14 HB2 ALA 14 14.853 -2.260 -0.037 88 HB3 ALA 14 HB3 ALA 14 15.124 -3.896 -0.639 89 H LEU 15 HN LEU 15 16.891 -0.199 -0.521 90 HA LEU 15 HA LEU 15 17.915 0.066 -3.246 91 HB2 LEU 15 HB2 LEU 15 17.030 2.174 -1.270 92 HB3 LEU 15 HB1 LEU 15 17.296 2.393 -2.993 93 HG LEU 15 HG LEU 15 15.252 0.550 -1.762 94 HD11 LEU 15 HD11 LEU 15 14.826 3.095 -3.334 95 HD12 LEU 15 HD12 LEU 15 14.838 3.034 -1.572 96 HD13 LEU 15 HD13 LEU 15 13.609 2.149 -2.477 97 HD21 LEU 15 HD21 LEU 15 16.405 0.767 -4.428 98 HD22 LEU 15 HD22 LEU 15 14.662 1.035 -4.458 99 HD23 LEU 15 HD23 LEU 15 15.312 -0.460 -3.785 100 H PHE 16 HN PHE 16 18.569 1.688 -0.162 101 HA PHE 16 HA PHE 16 21.165 2.563 -0.987 102 HB2 PHE 16 HB2 PHE 16 19.889 3.893 0.572 103 HB3 PHE 16 HB1 PHE 16 19.779 2.543 1.699 104 HD1 PHE 16 HD1 PHE 16 22.153 4.900 0.074 105 HD2 PHE 16 HD2 PHE 16 21.547 1.998 3.181 106 HE1 PHE 16 HE1 PHE 16 24.332 5.528 1.083 107 HE2 PHE 16 HE2 PHE 16 23.724 2.626 4.192 108 HZ PHE 16 HZ PHE 16 25.117 4.390 3.143 109 H DAL 17 HN DAL 17 19.881 -0.142 0.807 110 HA DAL 17 HA DAL 17 20.906 -1.884 1.915 111 HB1 DAL 17 HB2 DAL 17 23.529 -0.462 1.420 112 HB2 DAL 17 HB3 DAL 17 22.511 -0.200 2.831 113 H ALA 18 HN ALA 18 20.601 -1.307 -1.083 114 HA ALA 18 HA ALA 18 21.438 -3.859 -1.977 115 HB1 ALA 18 HB1 ALA 18 19.805 -3.298 -3.396 116 HB2 ALA 18 HB2 ALA 18 21.009 -2.350 -4.266 117 HB3 ALA 18 HB3 ALA 18 19.993 -1.580 -3.047 118 H LYS 19 HN LYS 19 22.885 -0.626 -2.543 119 HA LYS 19 HA LYS 19 25.094 -1.977 -3.963 120 HB2 LYS 19 HB2 LYS 19 25.756 0.431 -4.532 121 HB3 LYS 19 HB1 LYS 19 24.298 -0.195 -5.301 122 HG2 LYS 19 HG2 LYS 19 23.841 1.077 -2.680 123 HG3 LYS 19 HG1 LYS 19 24.424 2.174 -3.932 124 HD2 LYS 19 HD2 LYS 19 22.626 1.338 -5.448 125 HD3 LYS 19 HD1 LYS 19 22.007 0.355 -4.121 126 HE2 LYS 19 HE2 LYS 19 21.611 2.356 -2.777 127 HE3 LYS 19 HE1 LYS 19 22.316 3.371 -4.036 128 HZ1 LYS 19 HZ1 LYS 19 20.059 1.586 -4.665 129 HZ2 LYS 19 HZ2 LYS 19 20.540 3.020 -5.438 130 HZ3 LYS 19 HZ3 LYS 19 19.770 3.084 -3.925 131 H PHE 20 HN PHE 20 24.266 0.053 -1.278 132 HA PHE 20 HA PHE 20 27.038 0.055 -0.318 133 HB2 PHE 20 HB2 PHE 20 24.605 1.558 0.686 134 HB3 PHE 20 HB1 PHE 20 26.243 1.721 1.315 135 HD1 PHE 20 HD1 PHE 20 23.951 2.588 -1.392 136 HD2 PHE 20 HD2 PHE 20 28.053 2.661 -0.118 137 HE1 PHE 20 HE1 PHE 20 24.472 4.246 -3.162 138 HE2 PHE 20 HE2 PHE 20 28.573 4.319 -1.888 139 HZ PHE 20 HZ PHE 20 26.783 5.111 -3.410 140 H CYS 21 HN CYS 21 27.030 -0.108 2.205 141 HA CYS 21 HA CYS 21 26.924 -1.592 3.968 142 HB2 CYS 21 HB2 CYS 21 24.783 -1.888 4.855 143 HB3 CYS 21 HB1 CYS 21 24.580 -0.455 3.849 Start of MODEL 9 1 H1 ABA 1 HT1 ABU 1 6.323 -5.182 -2.977 2 H2 ABA 1 HT2 ABU 1 5.176 -5.684 -4.126 3 H3 ABA 1 HT3 ABU 1 4.950 -6.047 -2.482 4 HA ABA 1 HA ABU 1 3.615 -4.125 -3.477 5 HB2 ABA 1 HB2 ABU 1 4.334 -2.747 -1.293 6 HG1 ABA 1 HG1 ABU 1 2.254 -3.633 -1.010 7 HG3 ABA 1 HG3 ABU 1 2.695 -5.155 -1.786 8 HG2 ABA 1 HG2 ABU 1 3.102 -4.879 -0.092 9 H DBU 2 HN DHB 2 3.887 -1.619 -3.236 10 HB DBU 2 HB DHB 2 6.115 0.694 -5.700 11 HG1 DBU 2 HG1 DHB 2 4.333 -1.738 -6.279 12 HG2 DBU 2 HG2 DHB 2 5.799 -1.416 -7.206 13 HG3 DBU 2 HG3 DHB 2 4.448 -0.284 -7.272 14 HA PRO 3 HA PRO 3 7.208 2.635 -2.059 15 HB2 PRO 3 HB2 PRO 3 4.496 3.622 -1.300 16 HB3 PRO 3 HB1 PRO 3 5.910 4.530 -1.874 17 HG2 PRO 3 HG2 PRO 3 3.821 4.081 -3.456 18 HG3 PRO 3 HG1 PRO 3 5.479 4.063 -4.083 19 HD2 PRO 3 HD2 PRO 3 3.656 1.756 -3.518 20 HD3 PRO 3 HD1 PRO 3 4.877 1.945 -4.797 21 H ALA 4 HN ALA 4 4.297 0.950 -0.940 22 HA ALA 4 HA ALA 4 4.851 1.217 1.848 23 HB1 ALA 4 HB1 ALA 4 3.289 -1.136 1.113 24 HB2 ALA 4 HB2 ALA 4 2.709 0.332 0.326 25 HB3 ALA 4 HB3 ALA 4 2.827 0.261 2.085 26 H CYS 5 HN CYS 5 5.832 -1.019 -0.640 27 HA CYS 5 HA CYS 5 6.854 -2.979 1.245 28 HB2 CYS 5 HB2 CYS 5 6.659 -2.753 -1.725 29 HB3 CYS 5 HB1 CYS 5 7.892 -3.826 -1.047 30 H PHE 6 HN PHE 6 7.936 -0.093 -0.213 31 HA PHE 6 HA PHE 6 10.674 -0.560 -0.557 32 HB2 PHE 6 HB2 PHE 6 9.882 1.492 -1.380 33 HB3 PHE 6 HB1 PHE 6 9.071 1.893 0.135 34 HD1 PHE 6 HD1 PHE 6 12.430 0.414 0.141 35 HD2 PHE 6 HD2 PHE 6 10.198 4.081 0.289 36 HE1 PHE 6 HE1 PHE 6 14.454 1.609 0.919 37 HE2 PHE 6 HE2 PHE 6 12.226 5.281 1.064 38 HZ PHE 6 HZ PHE 6 14.354 4.047 1.378 39 H DBU 7 HN DHB 7 8.939 0.648 2.330 40 HB DBU 7 HB DHB 7 10.637 -0.636 5.763 41 HG1 DBU 7 HG1 DHB 7 10.427 -2.692 3.827 42 HG2 DBU 7 HG2 DHB 7 8.776 -2.082 3.942 43 HG3 DBU 7 HG3 DHB 7 9.585 -2.714 5.377 44 H ILE 8 HN ILE 8 9.354 1.839 5.596 45 HA ILE 8 HA ILE 8 10.698 4.227 4.854 46 HB ILE 8 HB ILE 8 9.290 3.427 7.409 47 HG12 ILE 8 HG12 ILE 8 7.908 3.567 5.335 48 HG13 ILE 8 HG11 ILE 8 7.481 4.814 6.509 49 HG21 ILE 8 HG21 ILE 8 9.225 5.987 7.703 50 HG22 ILE 8 HG22 ILE 8 10.535 6.034 6.521 51 HG23 ILE 8 HG23 ILE 8 10.757 5.183 8.050 52 HD11 ILE 8 HD11 ILE 8 8.412 5.143 3.809 53 HD12 ILE 8 HD12 ILE 8 9.575 5.875 4.913 54 HD13 ILE 8 HD13 ILE 8 7.886 6.381 4.950 55 H GLY 9 HN GLY 9 11.291 1.823 7.394 56 HA2 GLY 9 HA2 GLY 9 13.735 3.213 8.205 57 HA3 GLY 9 HA1 GLY 9 13.016 1.819 8.999 58 H LEU 10 HN LEU 10 13.384 -0.275 8.154 59 HA LEU 10 HA LEU 10 15.976 -0.747 7.183 60 HB2 LEU 10 HB2 LEU 10 15.466 -2.968 7.402 61 HB3 LEU 10 HB1 LEU 10 14.117 -2.311 8.329 62 HG LEU 10 HG LEU 10 12.871 -2.224 6.057 63 HD11 LEU 10 HD11 LEU 10 15.407 -3.498 5.342 64 HD12 LEU 10 HD12 LEU 10 14.171 -2.795 4.297 65 HD13 LEU 10 HD13 LEU 10 14.008 -4.459 4.865 66 HD21 LEU 10 HD21 LEU 10 11.892 -3.822 7.356 67 HD22 LEU 10 HD22 LEU 10 13.442 -4.498 7.858 68 HD23 LEU 10 HD23 LEU 10 12.749 -4.945 6.299 69 H GLY 11 HN GLY 11 12.913 -0.311 5.531 70 HA2 GLY 11 HA2 GLY 11 13.206 -1.344 3.064 71 HA3 GLY 11 HA1 GLY 11 12.574 0.278 3.311 72 H VAL 12 HN VAL 12 15.075 1.318 4.387 73 HA VAL 12 HA VAL 12 16.255 2.258 2.001 74 HB VAL 12 HB VAL 12 16.374 3.434 4.194 75 HG11 VAL 12 HG11 VAL 12 16.824 1.302 5.493 76 HG12 VAL 12 HG12 VAL 12 17.847 2.671 5.930 77 HG13 VAL 12 HG13 VAL 12 18.486 1.384 4.906 78 HG21 VAL 12 HG21 VAL 12 17.984 3.946 2.370 79 HG22 VAL 12 HG22 VAL 12 19.081 2.722 3.012 80 HG23 VAL 12 HG23 VAL 12 18.714 4.164 3.961 81 H GLY 13 HN GLY 13 17.175 -0.350 4.223 82 HA2 GLY 13 HA2 GLY 13 19.685 -0.981 3.153 83 HA3 GLY 13 HA1 GLY 13 18.626 -2.121 3.978 84 H ALA 14 HN ALA 14 16.471 -2.288 2.331 85 HA ALA 14 HA ALA 14 17.433 -3.938 0.205 86 HB1 ALA 14 HB1 ALA 14 14.901 -3.383 1.486 87 HB2 ALA 14 HB2 ALA 14 15.387 -4.795 0.547 88 HB3 ALA 14 HB3 ALA 14 14.719 -3.382 -0.269 89 H LEU 15 HN LEU 15 16.144 -0.671 0.435 90 HA LEU 15 HA LEU 15 15.922 -0.279 -2.396 91 HB2 LEU 15 HB2 LEU 15 14.540 1.085 -1.019 92 HB3 LEU 15 HB1 LEU 15 15.908 1.607 -0.035 93 HG LEU 15 HG LEU 15 16.861 2.544 -2.270 94 HD11 LEU 15 HD11 LEU 15 14.065 1.787 -2.965 95 HD12 LEU 15 HD12 LEU 15 15.506 1.826 -3.984 96 HD13 LEU 15 HD13 LEU 15 14.664 3.324 -3.589 97 HD21 LEU 15 HD21 LEU 15 15.997 3.884 -0.334 98 HD22 LEU 15 HD22 LEU 15 14.395 3.835 -1.070 99 HD23 LEU 15 HD23 LEU 15 15.717 4.657 -1.896 100 H PHE 16 HN PHE 16 18.050 1.350 -0.044 101 HA PHE 16 HA PHE 16 19.986 1.818 -2.197 102 HB2 PHE 16 HB2 PHE 16 19.326 3.113 0.374 103 HB3 PHE 16 HB1 PHE 16 21.040 3.071 -0.032 104 HD1 PHE 16 HD1 PHE 16 17.686 4.084 -1.293 105 HD2 PHE 16 HD2 PHE 16 21.942 4.451 -1.744 106 HE1 PHE 16 HE1 PHE 16 17.354 5.935 -2.909 107 HE2 PHE 16 HE2 PHE 16 21.609 6.304 -3.362 108 HZ PHE 16 HZ PHE 16 19.315 7.046 -3.944 109 H DAL 17 HN DAL 17 19.599 0.062 0.800 110 HA DAL 17 HA DAL 17 20.942 -1.433 1.895 111 HB1 DAL 17 HB2 DAL 17 23.220 -0.085 0.455 112 HB2 DAL 17 HB3 DAL 17 22.538 0.475 1.967 113 H ALA 18 HN ALA 18 19.915 -1.724 -0.965 114 HA ALA 18 HA ALA 18 20.850 -4.381 -1.357 115 HB1 ALA 18 HB1 ALA 18 19.602 -4.049 -3.618 116 HB2 ALA 18 HB2 ALA 18 19.102 -2.507 -2.926 117 HB3 ALA 18 HB3 ALA 18 18.669 -4.014 -2.121 118 H LYS 19 HN LYS 19 21.521 -1.306 -2.997 119 HA LYS 19 HA LYS 19 23.550 -2.646 -4.652 120 HB2 LYS 19 HB2 LYS 19 23.540 -0.634 -6.010 121 HB3 LYS 19 HB1 LYS 19 21.885 -1.210 -5.800 122 HG2 LYS 19 HG2 LYS 19 22.617 0.574 -3.640 123 HG3 LYS 19 HG1 LYS 19 22.866 1.357 -5.197 124 HD2 LYS 19 HD2 LYS 19 20.536 0.537 -5.831 125 HD3 LYS 19 HD1 LYS 19 20.323 0.113 -4.132 126 HE2 LYS 19 HE2 LYS 19 20.988 2.518 -3.587 127 HE3 LYS 19 HE1 LYS 19 20.816 2.855 -5.308 128 HZ1 LYS 19 HZ1 LYS 19 18.741 1.987 -3.393 129 HZ2 LYS 19 HZ2 LYS 19 18.531 1.804 -5.068 130 HZ3 LYS 19 HZ3 LYS 19 18.744 3.351 -4.400 131 H PHE 20 HN PHE 20 23.102 -0.254 -2.151 132 HA PHE 20 HA PHE 20 26.004 0.252 -2.073 133 HB2 PHE 20 HB2 PHE 20 23.705 1.784 -0.845 134 HB3 PHE 20 HB1 PHE 20 25.409 2.170 -0.605 135 HD1 PHE 20 HD1 PHE 20 22.567 2.395 -2.848 136 HD2 PHE 20 HD2 PHE 20 26.838 2.773 -2.593 137 HE1 PHE 20 HE1 PHE 20 22.583 3.655 -4.982 138 HE2 PHE 20 HE2 PHE 20 26.854 4.036 -4.728 139 HZ PHE 20 HZ PHE 20 24.726 4.478 -5.922 140 H CYS 21 HN CYS 21 26.545 0.857 0.399 141 HA CYS 21 HA CYS 21 27.102 -0.068 2.441 142 HB2 CYS 21 HB2 CYS 21 25.264 -0.581 3.849 143 HB3 CYS 21 HB1 CYS 21 24.638 0.613 2.712 Start of MODEL 10 1 H1 ABA 1 HT1 ABU 1 4.713 -4.899 -2.755 2 H2 ABA 1 HT2 ABU 1 3.312 -5.846 -2.594 3 H3 ABA 1 HT3 ABU 1 4.628 -6.086 -1.547 4 HA ABA 1 HA ABU 1 2.563 -4.729 -0.768 5 HB2 ABA 1 HB2 ABU 1 4.508 -3.138 0.309 6 HG1 ABA 1 HG1 ABU 1 4.110 -6.053 1.027 7 HG3 ABA 1 HG3 ABU 1 4.567 -4.740 2.112 8 HG2 ABA 1 HG2 ABU 1 2.945 -4.790 1.421 9 H DBU 2 HN DHB 2 5.181 -3.129 -2.601 10 HB DBU 2 HB DHB 2 3.934 -0.187 -5.015 11 HG1 DBU 2 HG1 DHB 2 2.451 -2.402 -5.559 12 HG2 DBU 2 HG2 DHB 2 3.993 -3.212 -5.283 13 HG3 DBU 2 HG3 DHB 2 3.842 -2.023 -6.576 14 HA PRO 3 HA PRO 3 4.793 2.546 -1.834 15 HB2 PRO 3 HB2 PRO 3 2.168 2.371 -0.431 16 HB3 PRO 3 HB1 PRO 3 2.855 3.704 -1.380 17 HG2 PRO 3 HG2 PRO 3 0.906 2.171 -2.348 18 HG3 PRO 3 HG1 PRO 3 2.205 2.789 -3.384 19 HD2 PRO 3 HD2 PRO 3 1.804 0.023 -2.317 20 HD3 PRO 3 HD1 PRO 3 2.506 0.547 -3.865 21 H ALA 4 HN ALA 4 3.290 -0.047 0.069 22 HA ALA 4 HA ALA 4 4.489 0.888 2.546 23 HB1 ALA 4 HB1 ALA 4 2.212 -0.343 2.238 24 HB2 ALA 4 HB2 ALA 4 3.229 -0.762 3.615 25 HB3 ALA 4 HB3 ALA 4 3.201 -1.802 2.191 26 H CYS 5 HN CYS 5 5.161 -1.410 0.027 27 HA CYS 5 HA CYS 5 6.992 -3.060 1.430 28 HB2 CYS 5 HB2 CYS 5 6.293 -2.567 -1.411 29 HB3 CYS 5 HB1 CYS 5 7.886 -3.258 -1.099 30 H PHE 6 HN PHE 6 7.296 0.042 -0.172 31 HA PHE 6 HA PHE 6 10.071 0.158 -0.501 32 HB2 PHE 6 HB2 PHE 6 8.419 1.831 -1.362 33 HB3 PHE 6 HB1 PHE 6 8.255 2.450 0.279 34 HD1 PHE 6 HD1 PHE 6 9.025 4.524 -1.310 35 HD2 PHE 6 HD2 PHE 6 11.546 1.310 0.025 36 HE1 PHE 6 HE1 PHE 6 11.025 5.948 -1.651 37 HE2 PHE 6 HE2 PHE 6 13.542 2.737 -0.314 38 HZ PHE 6 HZ PHE 6 13.283 5.056 -1.151 39 H DBU 7 HN DHB 7 8.084 1.176 2.304 40 HB DBU 7 HB DHB 7 9.406 0.877 5.954 41 HG1 DBU 7 HG1 DHB 7 8.001 -1.129 4.296 42 HG2 DBU 7 HG2 DHB 7 6.898 0.153 4.800 43 HG3 DBU 7 HG3 DHB 7 7.757 -0.798 6.012 44 H ILE 8 HN ILE 8 9.912 2.901 5.698 45 HA ILE 8 HA ILE 8 11.781 4.586 4.362 46 HB ILE 8 HB ILE 8 10.316 5.226 6.325 47 HG12 ILE 8 HG12 ILE 8 12.097 6.659 7.353 48 HG13 ILE 8 HG11 ILE 8 13.308 5.719 6.477 49 HG21 ILE 8 HG21 ILE 8 12.505 4.020 8.013 50 HG22 ILE 8 HG22 ILE 8 11.068 3.089 7.592 51 HG23 ILE 8 HG23 ILE 8 10.911 4.582 8.516 52 HD11 ILE 8 HD11 ILE 8 12.914 6.848 4.565 53 HD12 ILE 8 HD12 ILE 8 11.945 7.969 5.520 54 HD13 ILE 8 HD13 ILE 8 11.174 6.606 4.709 55 H GLY 9 HN GLY 9 12.132 1.935 6.695 56 HA2 GLY 9 HA2 GLY 9 15.054 2.145 6.530 57 HA3 GLY 9 HA1 GLY 9 14.148 1.137 7.653 58 H LEU 10 HN LEU 10 12.430 -0.133 5.828 59 HA LEU 10 HA LEU 10 14.015 -2.292 4.970 60 HB2 LEU 10 HB2 LEU 10 11.641 -2.514 5.517 61 HB3 LEU 10 HB1 LEU 10 11.217 -1.482 4.154 62 HG LEU 10 HG LEU 10 11.049 -4.000 3.775 63 HD11 LEU 10 HD11 LEU 10 11.352 -3.617 1.543 64 HD12 LEU 10 HD12 LEU 10 12.977 -2.972 1.774 65 HD13 LEU 10 HD13 LEU 10 11.572 -1.950 2.076 66 HD21 LEU 10 HD21 LEU 10 13.031 -5.264 3.477 67 HD22 LEU 10 HD22 LEU 10 13.330 -4.340 4.950 68 HD23 LEU 10 HD23 LEU 10 14.041 -3.819 3.423 69 H GLY 11 HN GLY 11 12.546 0.410 3.186 70 HA2 GLY 11 HA2 GLY 11 13.390 -0.419 0.604 71 HA3 GLY 11 HA1 GLY 11 12.910 1.212 1.059 72 H VAL 12 HN VAL 12 14.837 1.587 3.107 73 HA VAL 12 HA VAL 12 16.985 2.624 1.617 74 HB VAL 12 HB VAL 12 16.624 2.026 4.558 75 HG11 VAL 12 HG11 VAL 12 18.989 1.925 4.210 76 HG12 VAL 12 HG12 VAL 12 18.641 3.540 4.827 77 HG13 VAL 12 HG13 VAL 12 18.949 3.301 3.107 78 HG21 VAL 12 HG21 VAL 12 16.950 4.739 3.326 79 HG22 VAL 12 HG22 VAL 12 16.019 4.261 4.746 80 HG23 VAL 12 HG23 VAL 12 15.407 3.907 3.130 81 H GLY 13 HN GLY 13 16.720 -0.323 3.602 82 HA2 GLY 13 HA2 GLY 13 19.382 -1.210 3.157 83 HA3 GLY 13 HA1 GLY 13 18.036 -2.214 3.693 84 H ALA 14 HN ALA 14 16.324 -1.742 1.471 85 HA ALA 14 HA ALA 14 17.313 -3.708 -0.343 86 HB1 ALA 14 HB1 ALA 14 14.985 -1.851 -0.831 87 HB2 ALA 14 HB2 ALA 14 14.876 -3.232 0.260 88 HB3 ALA 14 HB3 ALA 14 15.223 -3.484 -1.451 89 H LEU 15 HN LEU 15 16.950 -0.212 -0.427 90 HA LEU 15 HA LEU 15 18.016 -0.053 -3.148 91 HB2 LEU 15 HB2 LEU 15 17.150 2.132 -1.248 92 HB3 LEU 15 HB1 LEU 15 17.439 2.291 -2.973 93 HG LEU 15 HG LEU 15 15.349 0.524 -1.711 94 HD11 LEU 15 HD11 LEU 15 14.832 2.922 -3.441 95 HD12 LEU 15 HD12 LEU 15 15.115 3.118 -1.711 96 HD13 LEU 15 HD13 LEU 15 13.759 2.144 -2.279 97 HD21 LEU 15 HD21 LEU 15 14.586 0.161 -4.014 98 HD22 LEU 15 HD22 LEU 15 16.275 -0.323 -3.867 99 HD23 LEU 15 HD23 LEU 15 15.861 1.217 -4.622 100 H PHE 16 HN PHE 16 18.687 1.587 -0.067 101 HA PHE 16 HA PHE 16 21.288 2.430 -0.908 102 HB2 PHE 16 HB2 PHE 16 20.020 3.757 0.673 103 HB3 PHE 16 HB1 PHE 16 19.948 2.405 1.801 104 HD1 PHE 16 HD1 PHE 16 22.192 4.887 0.214 105 HD2 PHE 16 HD2 PHE 16 21.832 1.768 3.144 106 HE1 PHE 16 HE1 PHE 16 24.391 5.530 1.167 107 HE2 PHE 16 HE2 PHE 16 24.029 2.412 4.101 108 HZ PHE 16 HZ PHE 16 25.309 4.293 3.113 109 H DAL 17 HN DAL 17 19.985 -0.257 0.914 110 HA DAL 17 HA DAL 17 20.994 -2.056 1.940 111 HB1 DAL 17 HB2 DAL 17 23.587 -0.540 1.559 112 HB2 DAL 17 HB3 DAL 17 22.574 -0.472 2.995 113 H ALA 18 HN ALA 18 20.567 -1.535 -0.952 114 HA ALA 18 HA ALA 18 21.656 -3.966 -1.952 115 HB1 ALA 18 HB1 ALA 18 19.973 -1.768 -3.015 116 HB2 ALA 18 HB2 ALA 18 19.704 -3.510 -3.032 117 HB3 ALA 18 HB3 ALA 18 20.810 -2.777 -4.194 118 H LYS 19 HN LYS 19 22.599 -0.566 -2.424 119 HA LYS 19 HA LYS 19 24.761 -1.440 -4.226 120 HB2 LYS 19 HB2 LYS 19 24.466 1.430 -3.564 121 HB3 LYS 19 HB1 LYS 19 24.732 0.658 -5.125 122 HG2 LYS 19 HG2 LYS 19 22.098 0.718 -3.624 123 HG3 LYS 19 HG1 LYS 19 22.503 1.719 -5.018 124 HD2 LYS 19 HD2 LYS 19 22.872 -0.381 -6.342 125 HD3 LYS 19 HD1 LYS 19 22.282 -1.301 -4.955 126 HE2 LYS 19 HE2 LYS 19 20.292 -1.049 -6.090 127 HE3 LYS 19 HE1 LYS 19 20.263 0.435 -5.136 128 HZ1 LYS 19 HZ1 LYS 19 21.312 1.583 -7.015 129 HZ2 LYS 19 HZ2 LYS 19 19.798 0.930 -7.427 130 HZ3 LYS 19 HZ3 LYS 19 21.225 0.158 -7.931 131 H PHE 20 HN PHE 20 24.047 0.052 -1.188 132 HA PHE 20 HA PHE 20 26.900 0.151 -0.473 133 HB2 PHE 20 HB2 PHE 20 24.611 1.415 1.039 134 HB3 PHE 20 HB1 PHE 20 26.330 1.790 1.152 135 HD1 PHE 20 HD1 PHE 20 23.509 1.737 -1.310 136 HD2 PHE 20 HD2 PHE 20 27.224 3.544 -0.128 137 HE1 PHE 20 HE1 PHE 20 23.252 3.431 -3.101 138 HE2 PHE 20 HE2 PHE 20 26.967 5.240 -1.921 139 HZ PHE 20 HZ PHE 20 24.982 5.184 -3.407 140 H CYS 21 HN CYS 21 27.107 -0.221 2.005 141 HA CYS 21 HA CYS 21 27.166 -1.832 3.654 142 HB2 CYS 21 HB2 CYS 21 25.113 -2.226 4.697 143 HB3 CYS 21 HB1 CYS 21 24.806 -0.728 3.821 Start of MODEL 11 1 H1 ABA 1 HT1 ABU 1 3.426 -5.812 -2.794 2 H2 ABA 1 HT2 ABU 1 4.676 -6.052 -1.669 3 H3 ABA 1 HT3 ABU 1 4.789 -4.804 -2.816 4 HA ABA 1 HA ABU 1 2.548 -4.853 -0.910 5 HB2 ABA 1 HB2 ABU 1 4.439 -3.078 0.116 6 HG1 ABA 1 HG1 ABU 1 2.814 -5.157 0.983 7 HG3 ABA 1 HG3 ABU 1 4.437 -5.707 1.401 8 HG2 ABA 1 HG2 ABU 1 3.844 -4.162 2.012 9 H DBU 2 HN DHB 2 5.055 -2.946 -2.604 10 HB DBU 2 HB DHB 2 3.380 -0.082 -4.943 11 HG1 DBU 2 HG1 DHB 2 3.616 -2.933 -5.612 12 HG2 DBU 2 HG2 DHB 2 2.576 -1.744 -6.399 13 HG3 DBU 2 HG3 DHB 2 2.001 -2.615 -4.977 14 HA PRO 3 HA PRO 3 4.920 2.495 -1.841 15 HB2 PRO 3 HB2 PRO 3 2.736 3.318 -0.374 16 HB3 PRO 3 HB1 PRO 3 2.936 3.616 -2.112 17 HG2 PRO 3 HG2 PRO 3 1.328 1.535 -0.720 18 HG3 PRO 3 HG1 PRO 3 0.949 2.471 -2.176 19 HD2 PRO 3 HD2 PRO 3 1.802 -0.115 -2.287 20 HD3 PRO 3 HD1 PRO 3 2.170 1.068 -3.563 21 H ALA 4 HN ALA 4 3.366 -0.043 0.003 22 HA ALA 4 HA ALA 4 4.495 0.874 2.529 23 HB1 ALA 4 HB1 ALA 4 2.448 -1.040 1.685 24 HB2 ALA 4 HB2 ALA 4 2.598 -0.142 3.196 25 HB3 ALA 4 HB3 ALA 4 3.483 -1.652 2.975 26 H CYS 5 HN CYS 5 5.165 -1.430 0.004 27 HA CYS 5 HA CYS 5 6.940 -3.108 1.449 28 HB2 CYS 5 HB2 CYS 5 6.329 -2.620 -1.422 29 HB3 CYS 5 HB1 CYS 5 7.883 -3.371 -1.044 30 H PHE 6 HN PHE 6 7.309 -0.018 -0.148 31 HA PHE 6 HA PHE 6 10.090 0.048 -0.431 32 HB2 PHE 6 HB2 PHE 6 8.827 1.789 -1.447 33 HB3 PHE 6 HB1 PHE 6 8.078 2.235 0.086 34 HD1 PHE 6 HD1 PHE 6 11.630 1.544 -0.918 35 HD2 PHE 6 HD2 PHE 6 8.827 4.335 0.760 36 HE1 PHE 6 HE1 PHE 6 13.481 3.131 -0.459 37 HE2 PHE 6 HE2 PHE 6 10.678 5.920 1.216 38 HZ PHE 6 HZ PHE 6 13.005 5.317 0.608 39 H DBU 7 HN DHB 7 8.084 1.113 2.344 40 HB DBU 7 HB DHB 7 9.400 0.802 6.002 41 HG1 DBU 7 HG1 DHB 7 7.811 -1.043 4.233 42 HG2 DBU 7 HG2 DHB 7 6.856 0.168 5.089 43 HG3 DBU 7 HG3 DHB 7 7.836 -0.984 5.994 44 H ILE 8 HN ILE 8 9.930 2.844 5.708 45 HA ILE 8 HA ILE 8 11.863 4.443 4.359 46 HB ILE 8 HB ILE 8 10.383 5.187 6.264 47 HG12 ILE 8 HG12 ILE 8 13.339 5.607 6.784 48 HG13 ILE 8 HG11 ILE 8 12.482 6.375 5.445 49 HG21 ILE 8 HG21 ILE 8 12.478 3.822 7.972 50 HG22 ILE 8 HG22 ILE 8 10.895 3.118 7.644 51 HG23 ILE 8 HG23 ILE 8 11.017 4.645 8.517 52 HD11 ILE 8 HD11 ILE 8 11.691 7.960 6.830 53 HD12 ILE 8 HD12 ILE 8 12.603 7.236 8.154 54 HD13 ILE 8 HD13 ILE 8 10.945 6.725 7.843 55 H GLY 9 HN GLY 9 12.124 1.840 6.763 56 HA2 GLY 9 HA2 GLY 9 15.040 2.028 6.735 57 HA3 GLY 9 HA1 GLY 9 14.072 0.954 7.741 58 H LEU 10 HN LEU 10 12.513 -0.329 5.883 59 HA LEU 10 HA LEU 10 14.258 -2.321 4.900 60 HB2 LEU 10 HB2 LEU 10 12.359 -3.480 4.367 61 HB3 LEU 10 HB1 LEU 10 11.642 -2.294 5.453 62 HG LEU 10 HG LEU 10 11.319 -0.842 3.340 63 HD11 LEU 10 HD11 LEU 10 11.018 -3.189 1.666 64 HD12 LEU 10 HD12 LEU 10 12.690 -3.019 2.199 65 HD13 LEU 10 HD13 LEU 10 11.901 -1.698 1.337 66 HD21 LEU 10 HD21 LEU 10 9.626 -2.345 4.688 67 HD22 LEU 10 HD22 LEU 10 9.686 -3.362 3.247 68 HD23 LEU 10 HD23 LEU 10 9.153 -1.686 3.122 69 H GLY 11 HN GLY 11 12.600 0.380 3.305 70 HA2 GLY 11 HA2 GLY 11 13.352 -0.265 0.652 71 HA3 GLY 11 HA1 GLY 11 12.886 1.333 1.226 72 H VAL 12 HN VAL 12 14.895 1.745 3.140 73 HA VAL 12 HA VAL 12 16.982 2.752 1.541 74 HB VAL 12 HB VAL 12 16.510 2.401 4.469 75 HG11 VAL 12 HG11 VAL 12 19.194 3.173 3.285 76 HG12 VAL 12 HG12 VAL 12 18.859 1.671 4.148 77 HG13 VAL 12 HG13 VAL 12 18.762 3.216 4.994 78 HG21 VAL 12 HG21 VAL 12 16.852 4.818 4.439 79 HG22 VAL 12 HG22 VAL 12 15.726 4.379 3.154 80 HG23 VAL 12 HG23 VAL 12 17.406 4.748 2.766 81 H GLY 13 HN GLY 13 16.804 -0.156 3.589 82 HA2 GLY 13 HA2 GLY 13 19.446 -1.053 3.078 83 HA3 GLY 13 HA1 GLY 13 18.112 -2.050 3.650 84 H ALA 14 HN ALA 14 16.349 -1.636 1.462 85 HA ALA 14 HA ALA 14 17.323 -3.612 -0.348 86 HB1 ALA 14 HB1 ALA 14 14.975 -1.788 -0.842 87 HB2 ALA 14 HB2 ALA 14 14.888 -3.134 0.295 88 HB3 ALA 14 HB3 ALA 14 15.213 -3.440 -1.411 89 H LEU 15 HN LEU 15 16.916 -0.126 -0.469 90 HA LEU 15 HA LEU 15 17.911 0.031 -3.209 91 HB2 LEU 15 HB2 LEU 15 17.121 2.218 -1.282 92 HB3 LEU 15 HB1 LEU 15 17.358 2.378 -3.017 93 HG LEU 15 HG LEU 15 15.285 0.659 -1.659 94 HD11 LEU 15 HD11 LEU 15 15.262 3.366 -2.069 95 HD12 LEU 15 HD12 LEU 15 13.821 2.357 -1.943 96 HD13 LEU 15 HD13 LEU 15 14.472 2.771 -3.529 97 HD21 LEU 15 HD21 LEU 15 15.162 -0.471 -3.604 98 HD22 LEU 15 HD22 LEU 15 16.459 0.515 -4.275 99 HD23 LEU 15 HD23 LEU 15 14.783 1.037 -4.438 100 H PHE 16 HN PHE 16 18.677 1.688 -0.164 101 HA PHE 16 HA PHE 16 21.280 2.466 -1.073 102 HB2 PHE 16 HB2 PHE 16 20.083 3.857 0.509 103 HB3 PHE 16 HB1 PHE 16 19.986 2.524 1.657 104 HD1 PHE 16 HD1 PHE 16 22.444 4.627 -0.213 105 HD2 PHE 16 HD2 PHE 16 21.711 2.122 3.196 106 HE1 PHE 16 HE1 PHE 16 24.677 5.214 0.695 107 HE2 PHE 16 HE2 PHE 16 23.944 2.710 4.108 108 HZ PHE 16 HZ PHE 16 25.426 4.256 2.857 109 H DAL 17 HN DAL 17 19.948 -0.133 0.866 110 HA DAL 17 HA DAL 17 20.955 -1.916 1.937 111 HB1 DAL 17 HB2 DAL 17 23.583 -0.533 1.368 112 HB2 DAL 17 HB3 DAL 17 22.612 -0.262 2.809 113 H ALA 18 HN ALA 18 20.575 -1.357 -1.044 114 HA ALA 18 HA ALA 18 21.387 -3.910 -1.969 115 HB1 ALA 18 HB1 ALA 18 20.855 -2.498 -4.255 116 HB2 ALA 18 HB2 ALA 18 19.969 -1.574 -3.041 117 HB3 ALA 18 HB3 ALA 18 19.639 -3.294 -3.255 118 H LYS 19 HN LYS 19 22.779 -0.665 -2.521 119 HA LYS 19 HA LYS 19 24.942 -1.943 -4.063 120 HB2 LYS 19 HB2 LYS 19 25.489 0.298 -4.859 121 HB3 LYS 19 HB1 LYS 19 23.788 -0.053 -5.151 122 HG2 LYS 19 HG2 LYS 19 24.060 1.114 -2.535 123 HG3 LYS 19 HG1 LYS 19 24.883 2.134 -3.712 124 HD2 LYS 19 HD2 LYS 19 22.692 1.678 -5.139 125 HD3 LYS 19 HD1 LYS 19 21.987 1.394 -3.548 126 HE2 LYS 19 HE2 LYS 19 21.667 3.714 -3.939 127 HE3 LYS 19 HE1 LYS 19 23.063 3.631 -2.864 128 HZ1 LYS 19 HZ1 LYS 19 23.594 5.112 -4.619 129 HZ2 LYS 19 HZ2 LYS 19 23.074 4.012 -5.806 130 HZ3 LYS 19 HZ3 LYS 19 24.473 3.689 -4.897 131 H PHE 20 HN PHE 20 24.218 -0.040 -1.269 132 HA PHE 20 HA PHE 20 27.031 -0.034 -0.420 133 HB2 PHE 20 HB2 PHE 20 24.632 1.507 0.591 134 HB3 PHE 20 HB1 PHE 20 26.239 1.582 1.309 135 HD1 PHE 20 HD1 PHE 20 24.105 2.689 -1.404 136 HD2 PHE 20 HD2 PHE 20 28.176 2.408 -0.067 137 HE1 PHE 20 HE1 PHE 20 24.773 4.381 -3.085 138 HE2 PHE 20 HE2 PHE 20 28.846 4.102 -1.750 139 HZ PHE 20 HZ PHE 20 27.144 5.091 -3.258 140 H CYS 21 HN CYS 21 27.067 -0.145 2.117 141 HA CYS 21 HA CYS 21 27.007 -1.561 3.922 142 HB2 CYS 21 HB2 CYS 21 24.870 -1.997 4.808 143 HB3 CYS 21 HB1 CYS 21 24.638 -0.538 3.848 Start of MODEL 12 1 H1 ABA 1 HT1 ABU 1 5.792 -6.337 -2.661 2 H2 ABA 1 HT2 ABU 1 4.994 -7.225 -1.452 3 H3 ABA 1 HT3 ABU 1 6.667 -6.949 -1.342 4 HA ABA 1 HA ABU 1 5.579 -5.484 0.171 5 HB2 ABA 1 HB2 ABU 1 6.949 -3.776 -0.389 6 HG1 ABA 1 HG1 ABU 1 7.259 -5.173 -3.062 7 HG3 ABA 1 HG3 ABU 1 8.426 -4.098 -2.291 8 HG2 ABA 1 HG2 ABU 1 8.077 -5.674 -1.582 9 H DBU 2 HN DHB 2 4.372 -3.134 -0.104 10 HB DBU 2 HB DHB 2 0.310 -3.171 -0.986 11 HG1 DBU 2 HG1 DHB 2 0.048 -5.282 0.075 12 HG2 DBU 2 HG2 DHB 2 1.778 -5.403 0.396 13 HG3 DBU 2 HG3 DHB 2 1.148 -5.797 -1.204 14 HA PRO 3 HA PRO 3 1.738 0.792 -2.340 15 HB2 PRO 3 HB2 PRO 3 0.719 2.252 -0.236 16 HB3 PRO 3 HB1 PRO 3 -0.275 1.326 -1.379 17 HG2 PRO 3 HG2 PRO 3 0.619 0.608 1.370 18 HG3 PRO 3 HG1 PRO 3 -0.940 0.320 0.575 19 HD2 PRO 3 HD2 PRO 3 0.927 -1.639 0.851 20 HD3 PRO 3 HD1 PRO 3 -0.181 -1.565 -0.538 21 H ALA 4 HN ALA 4 3.171 0.042 0.755 22 HA ALA 4 HA ALA 4 4.930 2.405 0.564 23 HB1 ALA 4 HB1 ALA 4 5.466 1.880 2.959 24 HB2 ALA 4 HB2 ALA 4 4.238 0.615 2.900 25 HB3 ALA 4 HB3 ALA 4 3.777 2.303 2.677 26 H CYS 5 HN CYS 5 5.090 -0.361 -0.803 27 HA CYS 5 HA CYS 5 6.960 -2.062 0.040 28 HB2 CYS 5 HB2 CYS 5 6.699 -0.763 -2.660 29 HB3 CYS 5 HB1 CYS 5 7.937 -1.979 -2.352 30 H PHE 6 HN PHE 6 7.580 1.285 -0.844 31 HA PHE 6 HA PHE 6 10.383 1.173 -0.967 32 HB2 PHE 6 HB2 PHE 6 9.498 3.183 -1.737 33 HB3 PHE 6 HB1 PHE 6 8.407 3.348 -0.361 34 HD1 PHE 6 HD1 PHE 6 12.096 2.703 -0.613 35 HD2 PHE 6 HD2 PHE 6 8.973 5.261 0.858 36 HE1 PHE 6 HE1 PHE 6 13.782 4.086 0.566 37 HE2 PHE 6 HE2 PHE 6 10.661 6.643 2.036 38 HZ PHE 6 HZ PHE 6 13.066 6.055 1.891 39 H DBU 7 HN DHB 7 8.247 1.926 1.815 40 HB DBU 7 HB DHB 7 9.106 0.917 5.450 41 HG1 DBU 7 HG1 DHB 7 7.526 -0.295 3.165 42 HG2 DBU 7 HG2 DHB 7 6.636 0.755 4.268 43 HG3 DBU 7 HG3 DHB 7 7.421 -0.703 4.878 44 H ILE 8 HN ILE 8 9.825 3.154 5.415 45 HA ILE 8 HA ILE 8 12.121 4.547 4.524 46 HB ILE 8 HB ILE 8 10.977 4.141 7.294 47 HG12 ILE 8 HG12 ILE 8 10.957 6.576 5.488 48 HG13 ILE 8 HG11 ILE 8 9.646 5.392 5.526 49 HG21 ILE 8 HG21 ILE 8 12.621 6.493 6.983 50 HG22 ILE 8 HG22 ILE 8 13.559 5.051 6.590 51 HG23 ILE 8 HG23 ILE 8 12.769 5.189 8.161 52 HD11 ILE 8 HD11 ILE 8 8.927 7.014 7.069 53 HD12 ILE 8 HD12 ILE 8 10.554 7.269 7.699 54 HD13 ILE 8 HD13 ILE 8 9.674 5.795 8.101 55 H GLY 9 HN GLY 9 11.751 1.763 6.707 56 HA2 GLY 9 HA2 GLY 9 14.615 1.524 7.089 57 HA3 GLY 9 HA1 GLY 9 13.379 0.432 7.708 58 H LEU 10 HN LEU 10 12.076 -0.395 5.503 59 HA LEU 10 HA LEU 10 13.803 -2.349 4.415 60 HB2 LEU 10 HB2 LEU 10 11.916 -3.265 3.518 61 HB3 LEU 10 HB1 LEU 10 11.135 -2.177 4.663 62 HG LEU 10 HG LEU 10 11.180 -0.438 2.752 63 HD11 LEU 10 HD11 LEU 10 12.546 -2.579 1.497 64 HD12 LEU 10 HD12 LEU 10 12.042 -1.055 0.767 65 HD13 LEU 10 HD13 LEU 10 10.975 -2.458 0.706 66 HD21 LEU 10 HD21 LEU 10 9.006 -1.021 2.282 67 HD22 LEU 10 HD22 LEU 10 9.274 -2.145 3.614 68 HD23 LEU 10 HD23 LEU 10 9.420 -2.702 1.947 69 H GLY 11 HN GLY 11 12.523 0.689 3.104 70 HA2 GLY 11 HA2 GLY 11 13.535 0.399 0.480 71 HA3 GLY 11 HA1 GLY 11 13.133 1.928 1.257 72 H VAL 12 HN VAL 12 14.935 1.608 3.466 73 HA VAL 12 HA VAL 12 17.255 2.790 2.397 74 HB VAL 12 HB VAL 12 16.608 1.520 5.058 75 HG11 VAL 12 HG11 VAL 12 18.897 1.180 5.085 76 HG12 VAL 12 HG12 VAL 12 18.813 2.842 5.672 77 HG13 VAL 12 HG13 VAL 12 19.216 2.521 3.985 78 HG21 VAL 12 HG21 VAL 12 15.717 3.818 4.163 79 HG22 VAL 12 HG22 VAL 12 17.353 4.382 4.503 80 HG23 VAL 12 HG23 VAL 12 16.359 3.728 5.804 81 H GLY 13 HN GLY 13 16.626 -0.523 3.548 82 HA2 GLY 13 HA2 GLY 13 19.229 -1.520 3.016 83 HA3 GLY 13 HA1 GLY 13 17.771 -2.492 3.201 84 H ALA 14 HN ALA 14 16.272 -1.313 1.090 85 HA ALA 14 HA ALA 14 17.231 -2.841 -1.119 86 HB1 ALA 14 HB1 ALA 14 15.314 -1.684 -2.320 87 HB2 ALA 14 HB2 ALA 14 14.988 -0.843 -0.805 88 HB3 ALA 14 HB3 ALA 14 14.868 -2.600 -0.881 89 H LEU 15 HN LEU 15 17.178 0.579 -0.306 90 HA LEU 15 HA LEU 15 18.400 1.362 -2.832 91 HB2 LEU 15 HB2 LEU 15 17.855 3.056 -0.393 92 HB3 LEU 15 HB1 LEU 15 18.074 3.594 -2.052 93 HG LEU 15 HG LEU 15 15.914 1.633 -1.446 94 HD11 LEU 15 HD11 LEU 15 15.712 4.629 -1.049 95 HD12 LEU 15 HD12 LEU 15 15.662 3.420 0.235 96 HD13 LEU 15 HD13 LEU 15 14.369 3.490 -0.964 97 HD21 LEU 15 HD21 LEU 15 14.865 3.247 -3.255 98 HD22 LEU 15 HD22 LEU 15 16.054 2.038 -3.740 99 HD23 LEU 15 HD23 LEU 15 16.546 3.716 -3.512 100 H PHE 16 HN PHE 16 19.157 1.899 0.591 101 HA PHE 16 HA PHE 16 21.878 2.590 0.051 102 HB2 PHE 16 HB2 PHE 16 20.717 3.565 1.931 103 HB3 PHE 16 HB1 PHE 16 20.413 1.972 2.617 104 HD1 PHE 16 HD1 PHE 16 23.081 4.412 1.765 105 HD2 PHE 16 HD2 PHE 16 22.081 0.784 3.831 106 HE1 PHE 16 HE1 PHE 16 25.288 4.452 2.898 107 HE2 PHE 16 HE2 PHE 16 24.286 0.823 4.969 108 HZ PHE 16 HZ PHE 16 25.891 2.657 4.501 109 H DAL 17 HN DAL 17 20.182 -0.317 1.003 110 HA DAL 17 HA DAL 17 20.941 -2.425 1.565 111 HB1 DAL 17 HB2 DAL 17 23.741 -1.290 1.459 112 HB2 DAL 17 HB3 DAL 17 22.728 -1.289 2.896 113 H ALA 18 HN ALA 18 20.810 -1.029 -1.167 114 HA ALA 18 HA ALA 18 21.354 -3.341 -2.710 115 HB1 ALA 18 HB1 ALA 18 19.817 -2.225 -3.894 116 HB2 ALA 18 HB2 ALA 18 21.156 -1.269 -4.529 117 HB3 ALA 18 HB3 ALA 18 20.238 -0.687 -3.140 118 H LYS 19 HN LYS 19 23.183 -0.272 -2.403 119 HA LYS 19 HA LYS 19 25.244 -1.457 -4.149 120 HB2 LYS 19 HB2 LYS 19 26.204 0.888 -4.139 121 HB3 LYS 19 HB1 LYS 19 24.638 0.715 -4.929 122 HG2 LYS 19 HG2 LYS 19 24.244 1.239 -2.122 123 HG3 LYS 19 HG1 LYS 19 25.310 2.462 -2.812 124 HD2 LYS 19 HD2 LYS 19 23.577 2.521 -4.764 125 HD3 LYS 19 HD1 LYS 19 22.493 1.763 -3.598 126 HE2 LYS 19 HE2 LYS 19 23.971 4.380 -3.198 127 HE3 LYS 19 HE1 LYS 19 22.249 4.209 -3.533 128 HZ1 LYS 19 HZ1 LYS 19 21.845 3.779 -1.413 129 HZ2 LYS 19 HZ2 LYS 19 23.451 4.206 -1.067 130 HZ3 LYS 19 HZ3 LYS 19 23.042 2.581 -1.345 131 H PHE 20 HN PHE 20 24.604 -0.150 -1.000 132 HA PHE 20 HA PHE 20 27.331 -0.779 -0.112 133 HB2 PHE 20 HB2 PHE 20 25.096 0.686 1.322 134 HB3 PHE 20 HB1 PHE 20 26.730 0.448 1.935 135 HD1 PHE 20 HD1 PHE 20 24.609 2.359 -0.319 136 HD2 PHE 20 HD2 PHE 20 28.677 1.494 0.756 137 HE1 PHE 20 HE1 PHE 20 25.363 4.372 -1.553 138 HE2 PHE 20 HE2 PHE 20 29.431 3.510 -0.478 139 HZ PHE 20 HZ PHE 20 27.774 4.950 -1.631 140 H CYS 21 HN CYS 21 27.243 -1.664 2.254 141 HA CYS 21 HA CYS 21 26.891 -3.568 3.510 142 HB2 CYS 21 HB2 CYS 21 24.716 -3.789 4.331 143 HB3 CYS 21 HB1 CYS 21 24.733 -2.114 3.777 Start of MODEL 13 1 H1 ABA 1 HT1 ABU 1 3.617 -4.854 -2.591 2 H2 ABA 1 HT2 ABU 1 4.681 -3.798 -3.391 3 H3 ABA 1 HT3 ABU 1 3.005 -3.676 -3.646 4 HA ABA 1 HA ABU 1 2.603 -2.756 -1.577 5 HB2 ABA 1 HB2 ABU 1 4.714 -2.709 0.035 6 HG1 ABA 1 HG1 ABU 1 3.914 -5.157 0.713 7 HG3 ABA 1 HG3 ABU 1 2.866 -3.757 0.939 8 HG2 ABA 1 HG2 ABU 1 2.647 -4.804 -0.463 9 H DBU 2 HN DHB 2 4.482 -2.227 -4.110 10 HB DBU 2 HB DHB 2 5.735 1.105 -5.515 11 HG1 DBU 2 HG1 DHB 2 3.651 -1.036 -6.083 12 HG2 DBU 2 HG2 DHB 2 5.159 -1.088 -6.998 13 HG3 DBU 2 HG3 DHB 2 4.106 0.322 -7.112 14 HA PRO 3 HA PRO 3 7.405 2.676 -1.924 15 HB2 PRO 3 HB2 PRO 3 4.869 3.724 -0.761 16 HB3 PRO 3 HB1 PRO 3 6.248 4.607 -1.442 17 HG2 PRO 3 HG2 PRO 3 3.950 4.373 -2.768 18 HG3 PRO 3 HG1 PRO 3 5.514 4.358 -3.601 19 HD2 PRO 3 HD2 PRO 3 3.665 2.080 -3.027 20 HD3 PRO 3 HD1 PRO 3 4.756 2.332 -4.409 21 H ALA 4 HN ALA 4 4.547 1.065 -0.567 22 HA ALA 4 HA ALA 4 5.477 1.079 2.136 23 HB1 ALA 4 HB1 ALA 4 3.599 -0.280 2.619 24 HB2 ALA 4 HB2 ALA 4 3.524 -0.900 0.969 25 HB3 ALA 4 HB3 ALA 4 3.070 0.771 1.305 26 H CYS 5 HN CYS 5 5.931 -1.009 -0.615 27 HA CYS 5 HA CYS 5 6.928 -3.255 0.861 28 HB2 CYS 5 HB2 CYS 5 6.665 -2.505 -1.999 29 HB3 CYS 5 HB1 CYS 5 7.929 -3.673 -1.599 30 H PHE 6 HN PHE 6 8.359 -0.446 -0.721 31 HA PHE 6 HA PHE 6 11.041 -1.247 -0.665 32 HB2 PHE 6 HB2 PHE 6 10.758 0.696 -1.879 33 HB3 PHE 6 HB1 PHE 6 9.631 1.387 -0.713 34 HD1 PHE 6 HD1 PHE 6 12.929 -0.138 0.086 35 HD2 PHE 6 HD2 PHE 6 10.683 3.501 -0.315 36 HE1 PHE 6 HE1 PHE 6 14.766 1.117 1.172 37 HE2 PHE 6 HE2 PHE 6 12.531 4.757 0.764 38 HZ PHE 6 HZ PHE 6 14.573 3.565 1.507 39 H DBU 7 HN DHB 7 9.174 0.581 1.790 40 HB DBU 7 HB DHB 7 10.301 -0.258 5.562 41 HG1 DBU 7 HG1 DHB 7 8.270 -1.717 4.949 42 HG2 DBU 7 HG2 DHB 7 9.781 -2.620 4.843 43 HG3 DBU 7 HG3 DHB 7 9.019 -2.001 3.378 44 H ILE 8 HN ILE 8 9.566 2.363 4.787 45 HA ILE 8 HA ILE 8 11.433 4.267 3.833 46 HB ILE 8 HB ILE 8 9.677 4.237 6.295 47 HG12 ILE 8 HG12 ILE 8 9.431 5.817 3.720 48 HG13 ILE 8 HG11 ILE 8 8.650 4.251 3.961 49 HG21 ILE 8 HG21 ILE 8 11.519 5.745 6.732 50 HG22 ILE 8 HG22 ILE 8 10.119 6.721 6.286 51 HG23 ILE 8 HG23 ILE 8 11.402 6.432 5.112 52 HD11 ILE 8 HD11 ILE 8 8.275 6.404 6.019 53 HD12 ILE 8 HD12 ILE 8 7.204 5.070 5.592 54 HD13 ILE 8 HD13 ILE 8 7.339 6.468 4.524 55 H GLY 9 HN GLY 9 11.346 2.333 6.817 56 HA2 GLY 9 HA2 GLY 9 13.826 3.468 7.790 57 HA3 GLY 9 HA1 GLY 9 12.901 2.171 8.538 58 H LEU 10 HN LEU 10 13.433 0.074 8.143 59 HA LEU 10 HA LEU 10 16.032 -0.530 7.268 60 HB2 LEU 10 HB2 LEU 10 15.597 -2.678 7.918 61 HB3 LEU 10 HB1 LEU 10 14.281 -1.870 8.760 62 HG LEU 10 HG LEU 10 13.349 -3.786 7.658 63 HD11 LEU 10 HD11 LEU 10 12.567 -1.132 7.012 64 HD12 LEU 10 HD12 LEU 10 11.560 -2.576 7.071 65 HD13 LEU 10 HD13 LEU 10 12.345 -2.114 5.561 66 HD21 LEU 10 HD21 LEU 10 15.390 -3.455 5.824 67 HD22 LEU 10 HD22 LEU 10 13.958 -3.024 4.889 68 HD23 LEU 10 HD23 LEU 10 14.060 -4.602 5.669 69 H GLY 11 HN GLY 11 13.043 -0.258 5.552 70 HA2 GLY 11 HA2 GLY 11 13.343 -1.809 3.328 71 HA3 GLY 11 HA1 GLY 11 12.638 -0.199 3.294 72 H VAL 12 HN VAL 12 15.228 0.988 4.218 73 HA VAL 12 HA VAL 12 16.290 1.677 1.698 74 HB VAL 12 HB VAL 12 16.536 2.996 3.837 75 HG11 VAL 12 HG11 VAL 12 18.089 2.356 5.484 76 HG12 VAL 12 HG12 VAL 12 18.891 1.203 4.415 77 HG13 VAL 12 HG13 VAL 12 17.297 0.833 5.076 78 HG21 VAL 12 HG21 VAL 12 17.877 3.523 1.848 79 HG22 VAL 12 HG22 VAL 12 19.068 2.306 2.311 80 HG23 VAL 12 HG23 VAL 12 18.843 3.745 3.307 81 H GLY 13 HN GLY 13 17.245 -0.751 4.090 82 HA2 GLY 13 HA2 GLY 13 19.686 -1.515 2.895 83 HA3 GLY 13 HA1 GLY 13 18.714 -2.521 3.963 84 H ALA 14 HN ALA 14 16.361 -2.669 2.413 85 HA ALA 14 HA ALA 14 17.078 -4.755 0.605 86 HB1 ALA 14 HB1 ALA 14 14.404 -3.501 0.348 87 HB2 ALA 14 HB2 ALA 14 14.805 -4.158 1.934 88 HB3 ALA 14 HB3 ALA 14 14.841 -5.201 0.513 89 H LEU 15 HN LEU 15 16.120 -1.398 0.251 90 HA LEU 15 HA LEU 15 16.260 -1.523 -2.659 91 HB2 LEU 15 HB2 LEU 15 14.542 -0.105 -2.132 92 HB3 LEU 15 HB1 LEU 15 15.278 0.399 -0.614 93 HG LEU 15 HG LEU 15 16.867 1.251 -2.903 94 HD11 LEU 15 HD11 LEU 15 14.754 3.073 -3.056 95 HD12 LEU 15 HD12 LEU 15 13.988 1.486 -3.118 96 HD13 LEU 15 HD13 LEU 15 15.233 1.912 -4.292 97 HD21 LEU 15 HD21 LEU 15 15.854 2.227 -0.329 98 HD22 LEU 15 HD22 LEU 15 15.937 3.479 -1.570 99 HD23 LEU 15 HD23 LEU 15 17.384 2.569 -1.137 100 H PHE 16 HN PHE 16 17.602 0.799 -0.331 101 HA PHE 16 HA PHE 16 19.778 1.466 -2.072 102 HB2 PHE 16 HB2 PHE 16 18.617 2.473 0.364 103 HB3 PHE 16 HB1 PHE 16 20.370 2.382 0.519 104 HD1 PHE 16 HD1 PHE 16 18.484 2.862 -2.646 105 HD2 PHE 16 HD2 PHE 16 20.922 4.703 0.372 106 HE1 PHE 16 HE1 PHE 16 18.719 4.881 -4.067 107 HE2 PHE 16 HE2 PHE 16 21.158 6.724 -1.048 108 HZ PHE 16 HZ PHE 16 20.056 6.811 -3.268 109 H DAL 17 HN DAL 17 19.352 -0.758 0.598 110 HA DAL 17 HA DAL 17 20.785 -2.256 1.586 111 HB1 DAL 17 HB2 DAL 17 23.217 -0.808 0.735 112 HB2 DAL 17 HB3 DAL 17 22.092 0.084 1.761 113 H ALA 18 HN ALA 18 20.235 -2.020 -1.474 114 HA ALA 18 HA ALA 18 21.617 -4.410 -2.167 115 HB1 ALA 18 HB1 ALA 18 20.545 -2.695 -4.335 116 HB2 ALA 18 HB2 ALA 18 19.392 -3.209 -3.103 117 HB3 ALA 18 HB3 ALA 18 20.293 -4.412 -4.024 118 H LYS 19 HN LYS 19 22.070 -0.987 -3.124 119 HA LYS 19 HA LYS 19 24.624 -1.800 -4.366 120 HB2 LYS 19 HB2 LYS 19 24.420 0.666 -5.260 121 HB3 LYS 19 HB1 LYS 19 23.506 -0.639 -6.017 122 HG2 LYS 19 HG2 LYS 19 22.347 0.968 -3.741 123 HG3 LYS 19 HG1 LYS 19 22.216 1.520 -5.411 124 HD2 LYS 19 HD2 LYS 19 21.492 -1.197 -5.478 125 HD3 LYS 19 HD1 LYS 19 20.695 -0.541 -4.047 126 HE2 LYS 19 HE2 LYS 19 20.550 1.251 -6.363 127 HE3 LYS 19 HE1 LYS 19 19.762 -0.302 -6.639 128 HZ1 LYS 19 HZ1 LYS 19 18.065 0.664 -5.568 129 HZ2 LYS 19 HZ2 LYS 19 19.044 1.844 -4.836 130 HZ3 LYS 19 HZ3 LYS 19 18.938 0.288 -4.163 131 H PHE 20 HN PHE 20 23.195 0.559 -2.128 132 HA PHE 20 HA PHE 20 25.909 1.051 -1.052 133 HB2 PHE 20 HB2 PHE 20 23.735 3.141 -1.261 134 HB3 PHE 20 HB1 PHE 20 25.421 3.383 -0.805 135 HD1 PHE 20 HD1 PHE 20 23.097 2.738 -3.577 136 HD2 PHE 20 HD2 PHE 20 27.210 3.306 -2.481 137 HE1 PHE 20 HE1 PHE 20 23.688 3.051 -5.964 138 HE2 PHE 20 HE2 PHE 20 27.803 3.619 -4.868 139 HZ PHE 20 HZ PHE 20 26.041 3.491 -6.611 140 H CYS 21 HN CYS 21 26.030 0.479 1.048 141 HA CYS 21 HA CYS 21 23.575 0.727 2.684 142 HB2 CYS 21 HB2 CYS 21 25.317 -1.585 2.255 143 HB3 CYS 21 HB1 CYS 21 25.080 -1.199 3.958 Start of MODEL 14 1 H1 ABA 1 HT1 ABU 1 5.011 -6.954 -2.367 2 H2 ABA 1 HT2 ABU 1 6.655 -6.911 -1.942 3 H3 ABA 1 HT3 ABU 1 6.097 -6.026 -3.280 4 HA ABA 1 HA ABU 1 5.704 -5.487 -0.409 5 HB2 ABA 1 HB2 ABU 1 7.060 -3.727 -0.824 6 HG1 ABA 1 HG1 ABU 1 8.582 -3.943 -2.600 7 HG3 ABA 1 HG3 ABU 1 7.980 -5.589 -2.402 8 HG2 ABA 1 HG2 ABU 1 7.352 -4.569 -3.699 9 H DBU 2 HN DHB 2 4.457 -3.154 -0.404 10 HB DBU 2 HB DHB 2 0.387 -3.145 -1.225 11 HG1 DBU 2 HG1 DHB 2 0.810 -5.674 -1.708 12 HG2 DBU 2 HG2 DHB 2 0.391 -5.313 -0.033 13 HG3 DBU 2 HG3 DHB 2 2.074 -5.593 -0.480 14 HA PRO 3 HA PRO 3 1.756 0.950 -2.201 15 HB2 PRO 3 HB2 PRO 3 0.739 2.185 0.042 16 HB3 PRO 3 HB1 PRO 3 -0.255 1.358 -1.174 17 HG2 PRO 3 HG2 PRO 3 0.685 0.389 1.481 18 HG3 PRO 3 HG1 PRO 3 -0.884 0.164 0.686 19 HD2 PRO 3 HD2 PRO 3 0.999 -1.796 0.740 20 HD3 PRO 3 HD1 PRO 3 -0.124 -1.593 -0.625 21 H ALA 4 HN ALA 4 3.225 -0.096 0.785 22 HA ALA 4 HA ALA 4 4.958 2.294 0.828 23 HB1 ALA 4 HB1 ALA 4 5.228 0.486 3.092 24 HB2 ALA 4 HB2 ALA 4 3.566 1.035 2.879 25 HB3 ALA 4 HB3 ALA 4 4.866 2.213 3.071 26 H CYS 5 HN CYS 5 5.134 -0.306 -0.828 27 HA CYS 5 HA CYS 5 7.016 -2.072 -0.190 28 HB2 CYS 5 HB2 CYS 5 6.728 -0.481 -2.727 29 HB3 CYS 5 HB1 CYS 5 7.977 -1.715 -2.565 30 H PHE 6 HN PHE 6 7.653 1.348 -0.806 31 HA PHE 6 HA PHE 6 10.468 1.231 -0.822 32 HB2 PHE 6 HB2 PHE 6 9.119 3.226 -1.471 33 HB3 PHE 6 HB1 PHE 6 8.719 3.472 0.226 34 HD1 PHE 6 HD1 PHE 6 9.880 5.760 -0.708 35 HD2 PHE 6 HD2 PHE 6 11.926 2.100 0.223 36 HE1 PHE 6 HE1 PHE 6 11.992 7.019 -0.392 37 HE2 PHE 6 HE2 PHE 6 14.040 3.363 0.549 38 HZ PHE 6 HZ PHE 6 14.069 5.822 0.236 39 H DBU 7 HN DHB 7 8.187 1.801 1.887 40 HB DBU 7 HB DHB 7 9.080 0.465 5.470 41 HG1 DBU 7 HG1 DHB 7 6.658 0.097 4.235 42 HG2 DBU 7 HG2 DHB 7 7.621 -1.297 4.724 43 HG3 DBU 7 HG3 DHB 7 7.682 -0.725 3.058 44 H ILE 8 HN ILE 8 9.496 2.796 5.612 45 HA ILE 8 HA ILE 8 11.614 4.527 4.890 46 HB ILE 8 HB ILE 8 10.442 3.822 7.585 47 HG12 ILE 8 HG12 ILE 8 8.945 4.968 5.955 48 HG13 ILE 8 HG11 ILE 8 9.330 5.997 7.338 49 HG21 ILE 8 HG21 ILE 8 12.496 5.899 6.782 50 HG22 ILE 8 HG22 ILE 8 12.671 4.628 7.993 51 HG23 ILE 8 HG23 ILE 8 11.578 5.981 8.286 52 HD11 ILE 8 HD11 ILE 8 9.556 7.310 5.303 53 HD12 ILE 8 HD12 ILE 8 10.624 6.096 4.597 54 HD13 ILE 8 HD13 ILE 8 11.160 7.042 5.987 55 H GLY 9 HN GLY 9 11.553 1.588 6.899 56 HA2 GLY 9 HA2 GLY 9 14.410 1.741 7.392 57 HA3 GLY 9 HA1 GLY 9 13.319 0.479 7.947 58 H LEU 10 HN LEU 10 12.276 -0.653 5.818 59 HA LEU 10 HA LEU 10 14.363 -2.207 4.726 60 HB2 LEU 10 HB2 LEU 10 12.604 -3.171 3.281 61 HB3 LEU 10 HB1 LEU 10 12.098 -3.080 4.967 62 HG LEU 10 HG LEU 10 11.205 -0.685 4.158 63 HD11 LEU 10 HD11 LEU 10 10.950 -2.436 1.694 64 HD12 LEU 10 HD12 LEU 10 12.069 -1.082 1.835 65 HD13 LEU 10 HD13 LEU 10 10.331 -0.797 1.890 66 HD21 LEU 10 HD21 LEU 10 9.139 -2.344 3.319 67 HD22 LEU 10 HD22 LEU 10 9.439 -1.841 4.982 68 HD23 LEU 10 HD23 LEU 10 10.077 -3.378 4.397 69 H GLY 11 HN GLY 11 12.662 0.625 3.531 70 HA2 GLY 11 HA2 GLY 11 13.366 0.523 0.834 71 HA3 GLY 11 HA1 GLY 11 13.066 2.000 1.739 72 H VAL 12 HN VAL 12 15.173 1.890 3.581 73 HA VAL 12 HA VAL 12 17.277 2.958 2.020 74 HB VAL 12 HB VAL 12 16.623 3.180 4.614 75 HG11 VAL 12 HG11 VAL 12 18.214 2.020 6.024 76 HG12 VAL 12 HG12 VAL 12 19.007 1.308 4.619 77 HG13 VAL 12 HG13 VAL 12 17.368 0.818 5.050 78 HG21 VAL 12 HG21 VAL 12 18.595 4.465 4.833 79 HG22 VAL 12 HG22 VAL 12 18.273 4.462 3.099 80 HG23 VAL 12 HG23 VAL 12 19.511 3.398 3.766 81 H GLY 13 HN GLY 13 16.774 -0.196 3.539 82 HA2 GLY 13 HA2 GLY 13 19.335 -1.271 2.970 83 HA3 GLY 13 HA1 GLY 13 17.875 -2.205 3.288 84 H ALA 14 HN ALA 14 16.311 -1.136 1.145 85 HA ALA 14 HA ALA 14 17.158 -2.850 -0.972 86 HB1 ALA 14 HB1 ALA 14 14.777 -2.350 -0.474 87 HB2 ALA 14 HB2 ALA 14 15.199 -2.011 -2.153 88 HB3 ALA 14 HB3 ALA 14 15.042 -0.688 -0.998 89 H LEU 15 HN LEU 15 17.224 0.618 -0.406 90 HA LEU 15 HA LEU 15 18.400 1.161 -3.021 91 HB2 LEU 15 HB2 LEU 15 17.858 3.048 -0.727 92 HB3 LEU 15 HB1 LEU 15 18.138 3.469 -2.411 93 HG LEU 15 HG LEU 15 15.835 1.777 -1.439 94 HD11 LEU 15 HD11 LEU 15 14.451 3.716 -1.677 95 HD12 LEU 15 HD12 LEU 15 15.768 4.639 -2.402 96 HD13 LEU 15 HD13 LEU 15 15.835 4.198 -0.696 97 HD21 LEU 15 HD21 LEU 15 15.816 3.194 -4.055 98 HD22 LEU 15 HD22 LEU 15 15.178 1.605 -3.636 99 HD23 LEU 15 HD23 LEU 15 16.905 1.813 -3.928 100 H PHE 16 HN PHE 16 19.211 2.012 0.330 101 HA PHE 16 HA PHE 16 21.940 2.609 -0.291 102 HB2 PHE 16 HB2 PHE 16 20.824 3.751 1.531 103 HB3 PHE 16 HB1 PHE 16 20.496 2.216 2.335 104 HD1 PHE 16 HD1 PHE 16 23.173 4.577 1.333 105 HD2 PHE 16 HD2 PHE 16 22.182 1.035 3.549 106 HE1 PHE 16 HE1 PHE 16 25.396 4.645 2.433 107 HE2 PHE 16 HE2 PHE 16 24.404 1.102 4.653 108 HZ PHE 16 HZ PHE 16 26.011 2.908 4.094 109 H DAL 17 HN DAL 17 20.186 -0.162 0.907 110 HA DAL 17 HA DAL 17 20.891 -2.239 1.629 111 HB1 DAL 17 HB2 DAL 17 23.721 -1.216 1.367 112 HB2 DAL 17 HB3 DAL 17 22.748 -1.069 2.825 113 H ALA 18 HN ALA 18 20.751 -1.032 -1.207 114 HA ALA 18 HA ALA 18 21.151 -3.470 -2.589 115 HB1 ALA 18 HB1 ALA 18 20.145 -0.816 -3.176 116 HB2 ALA 18 HB2 ALA 18 19.680 -2.372 -3.863 117 HB3 ALA 18 HB3 ALA 18 21.050 -1.488 -4.532 118 H LYS 19 HN LYS 19 23.157 -0.492 -2.544 119 HA LYS 19 HA LYS 19 25.122 -1.930 -4.215 120 HB2 LYS 19 HB2 LYS 19 26.209 0.351 -4.407 121 HB3 LYS 19 HB1 LYS 19 24.627 0.203 -5.169 122 HG2 LYS 19 HG2 LYS 19 24.610 1.047 -2.328 123 HG3 LYS 19 HG1 LYS 19 25.274 2.214 -3.471 124 HD2 LYS 19 HD2 LYS 19 23.225 1.981 -4.861 125 HD3 LYS 19 HD1 LYS 19 22.553 0.888 -3.651 126 HE2 LYS 19 HE2 LYS 19 22.699 2.662 -1.955 127 HE3 LYS 19 HE1 LYS 19 23.390 3.758 -3.148 128 HZ1 LYS 19 HZ1 LYS 19 21.103 2.760 -4.301 129 HZ2 LYS 19 HZ2 LYS 19 21.326 4.320 -3.664 130 HZ3 LYS 19 HZ3 LYS 19 20.669 3.089 -2.694 131 H PHE 20 HN PHE 20 24.602 -0.307 -1.193 132 HA PHE 20 HA PHE 20 27.309 -0.977 -0.281 133 HB2 PHE 20 HB2 PHE 20 25.147 0.681 1.051 134 HB3 PHE 20 HB1 PHE 20 26.789 0.452 1.649 135 HD1 PHE 20 HD1 PHE 20 24.667 2.227 -0.716 136 HD2 PHE 20 HD2 PHE 20 28.735 1.320 0.322 137 HE1 PHE 20 HE1 PHE 20 25.449 4.100 -2.142 138 HE2 PHE 20 HE2 PHE 20 29.516 3.193 -1.103 139 HZ PHE 20 HZ PHE 20 27.873 4.584 -2.335 140 H CYS 21 HN CYS 21 27.225 -1.644 2.149 141 HA CYS 21 HA CYS 21 26.828 -3.380 3.602 142 HB2 CYS 21 HB2 CYS 21 24.642 -3.510 4.428 143 HB3 CYS 21 HB1 CYS 21 24.707 -1.886 3.746 Start of MODEL 15 1 H1 ABA 1 HT1 ABU 1 4.632 -4.122 -4.923 2 H2 ABA 1 HT2 ABU 1 4.892 -5.335 -3.761 3 H3 ABA 1 HT3 ABU 1 6.035 -4.095 -3.970 4 HA ABA 1 HA ABU 1 3.294 -3.848 -2.864 5 HB2 ABA 1 HB2 ABU 1 5.215 -2.651 -1.209 6 HG1 ABA 1 HG1 ABU 1 4.750 -4.820 0.155 7 HG3 ABA 1 HG3 ABU 1 3.389 -3.767 -0.229 8 HG2 ABA 1 HG2 ABU 1 3.663 -5.233 -1.170 9 H DBU 2 HN DHB 2 6.275 -2.121 -3.810 10 HB DBU 2 HB DHB 2 5.415 1.399 -5.632 11 HG1 DBU 2 HG1 DHB 2 4.640 -1.480 -6.385 12 HG2 DBU 2 HG2 DHB 2 5.300 -0.290 -7.506 13 HG3 DBU 2 HG3 DHB 2 3.680 -0.073 -6.842 14 HA PRO 3 HA PRO 3 6.845 3.016 -1.898 15 HB2 PRO 3 HB2 PRO 3 4.612 3.909 -0.547 16 HB3 PRO 3 HB1 PRO 3 5.121 4.507 -2.138 17 HG2 PRO 3 HG2 PRO 3 3.018 2.522 -1.446 18 HG3 PRO 3 HG1 PRO 3 3.024 3.776 -2.699 19 HD2 PRO 3 HD2 PRO 3 3.474 1.146 -3.260 20 HD3 PRO 3 HD1 PRO 3 4.212 2.465 -4.197 21 H ALA 4 HN ALA 4 4.671 0.488 -0.826 22 HA ALA 4 HA ALA 4 5.538 0.694 1.951 23 HB1 ALA 4 HB1 ALA 4 3.981 -1.134 2.358 24 HB2 ALA 4 HB2 ALA 4 3.761 -1.367 0.624 25 HB3 ALA 4 HB3 ALA 4 3.189 0.112 1.395 26 H CYS 5 HN CYS 5 6.220 -1.169 -0.915 27 HA CYS 5 HA CYS 5 7.524 -3.354 0.362 28 HB2 CYS 5 HB2 CYS 5 7.329 -2.304 -2.415 29 HB3 CYS 5 HB1 CYS 5 8.689 -3.367 -2.044 30 H PHE 6 HN PHE 6 8.599 -0.197 -0.804 31 HA PHE 6 HA PHE 6 11.367 -0.608 -0.660 32 HB2 PHE 6 HB2 PHE 6 10.872 1.423 -1.639 33 HB3 PHE 6 HB1 PHE 6 9.580 1.783 -0.496 34 HD1 PHE 6 HD1 PHE 6 12.948 0.624 0.513 35 HD2 PHE 6 HD2 PHE 6 10.334 4.005 0.114 36 HE1 PHE 6 HE1 PHE 6 14.496 1.972 1.895 37 HE2 PHE 6 HE2 PHE 6 11.888 5.365 1.489 38 HZ PHE 6 HZ PHE 6 13.970 4.352 2.379 39 H DBU 7 HN DHB 7 9.127 0.619 1.865 40 HB DBU 7 HB DHB 7 10.167 -0.502 5.591 41 HG1 DBU 7 HG1 DHB 7 9.961 -2.758 4.128 42 HG2 DBU 7 HG2 DHB 7 8.654 -1.881 3.337 43 HG3 DBU 7 HG3 DHB 7 8.557 -2.241 5.060 44 H ILE 8 HN ILE 8 9.293 2.181 5.010 45 HA ILE 8 HA ILE 8 11.090 4.254 4.320 46 HB ILE 8 HB ILE 8 9.218 3.923 6.667 47 HG12 ILE 8 HG12 ILE 8 9.018 5.706 4.226 48 HG13 ILE 8 HG11 ILE 8 8.315 4.087 4.288 49 HG21 ILE 8 HG21 ILE 8 10.848 5.489 7.410 50 HG22 ILE 8 HG22 ILE 8 9.520 6.469 6.787 51 HG23 ILE 8 HG23 ILE 8 10.972 6.231 5.814 52 HD11 ILE 8 HD11 ILE 8 7.524 6.558 5.783 53 HD12 ILE 8 HD12 ILE 8 7.279 4.993 6.559 54 HD13 ILE 8 HD13 ILE 8 6.506 5.341 5.013 55 H GLY 9 HN GLY 9 10.981 2.084 7.137 56 HA2 GLY 9 HA2 GLY 9 13.317 3.284 8.344 57 HA3 GLY 9 HA1 GLY 9 12.464 1.855 8.910 58 H LEU 10 HN LEU 10 13.209 -0.147 8.380 59 HA LEU 10 HA LEU 10 15.888 -0.425 7.565 60 HB2 LEU 10 HB2 LEU 10 15.657 -2.640 8.060 61 HB3 LEU 10 HB1 LEU 10 14.234 -2.035 8.898 62 HG LEU 10 HG LEU 10 13.558 -3.961 7.636 63 HD11 LEU 10 HD11 LEU 10 11.664 -2.926 7.050 64 HD12 LEU 10 HD12 LEU 10 12.442 -2.249 5.620 65 HD13 LEU 10 HD13 LEU 10 12.497 -1.375 7.153 66 HD21 LEU 10 HD21 LEU 10 14.416 -4.555 5.628 67 HD22 LEU 10 HD22 LEU 10 15.605 -3.283 5.906 68 HD23 LEU 10 HD23 LEU 10 14.164 -2.947 4.949 69 H GLY 11 HN GLY 11 12.930 -0.330 5.784 70 HA2 GLY 11 HA2 GLY 11 13.411 -1.643 3.454 71 HA3 GLY 11 HA1 GLY 11 12.599 -0.087 3.530 72 H VAL 12 HN VAL 12 15.111 1.142 4.656 73 HA VAL 12 HA VAL 12 16.189 2.105 2.226 74 HB VAL 12 HB VAL 12 16.263 3.287 4.450 75 HG11 VAL 12 HG11 VAL 12 17.911 2.673 6.071 76 HG12 VAL 12 HG12 VAL 12 18.650 1.501 4.978 77 HG13 VAL 12 HG13 VAL 12 17.055 1.186 5.663 78 HG21 VAL 12 HG21 VAL 12 18.447 4.296 4.035 79 HG22 VAL 12 HG22 VAL 12 17.677 3.937 2.490 80 HG23 VAL 12 HG23 VAL 12 18.954 2.887 3.104 81 H GLY 13 HN GLY 13 17.244 -0.409 4.485 82 HA2 GLY 13 HA2 GLY 13 19.770 -0.917 3.326 83 HA3 GLY 13 HA1 GLY 13 18.844 -2.057 4.298 84 H ALA 14 HN ALA 14 16.608 -2.499 2.812 85 HA ALA 14 HA ALA 14 17.578 -4.239 0.770 86 HB1 ALA 14 HB1 ALA 14 14.774 -3.657 0.488 87 HB2 ALA 14 HB2 ALA 14 15.173 -3.876 2.191 88 HB3 ALA 14 HB3 ALA 14 15.546 -5.148 1.027 89 H LEU 15 HN LEU 15 15.938 -1.115 0.787 90 HA LEU 15 HA LEU 15 15.686 -0.906 -2.047 91 HB2 LEU 15 HB2 LEU 15 14.507 0.331 -0.002 92 HB3 LEU 15 HB1 LEU 15 15.759 1.524 -0.339 93 HG LEU 15 HG LEU 15 13.780 2.059 -1.644 94 HD11 LEU 15 HD11 LEU 15 15.949 2.458 -2.711 95 HD12 LEU 15 HD12 LEU 15 14.771 1.949 -3.920 96 HD13 LEU 15 HD13 LEU 15 15.971 0.804 -3.322 97 HD21 LEU 15 HD21 LEU 15 12.460 0.281 -2.149 98 HD22 LEU 15 HD22 LEU 15 13.809 -0.850 -2.051 99 HD23 LEU 15 HD23 LEU 15 13.524 0.057 -3.537 100 H PHE 16 HN PHE 16 17.700 0.973 0.225 101 HA PHE 16 HA PHE 16 19.474 1.693 -1.991 102 HB2 PHE 16 HB2 PHE 16 18.860 3.578 -0.710 103 HB3 PHE 16 HB1 PHE 16 19.116 2.727 0.814 104 HD1 PHE 16 HD1 PHE 16 20.730 4.468 -1.986 105 HD2 PHE 16 HD2 PHE 16 21.375 2.263 1.643 106 HE1 PHE 16 HE1 PHE 16 23.090 5.234 -1.943 107 HE2 PHE 16 HE2 PHE 16 23.736 3.031 1.688 108 HZ PHE 16 HZ PHE 16 24.592 4.517 -0.105 109 H DAL 17 HN DAL 17 19.449 -0.140 0.991 110 HA DAL 17 HA DAL 17 21.023 -1.464 2.006 111 HB1 DAL 17 HB2 DAL 17 23.042 0.106 0.393 112 HB2 DAL 17 HB3 DAL 17 22.425 0.588 1.967 113 H ALA 18 HN ALA 18 19.804 -1.923 -0.720 114 HA ALA 18 HA ALA 18 20.950 -4.457 -1.210 115 HB1 ALA 18 HB1 ALA 18 18.726 -4.343 -1.822 116 HB2 ALA 18 HB2 ALA 18 19.512 -4.187 -3.392 117 HB3 ALA 18 HB3 ALA 18 18.902 -2.754 -2.567 118 H LYS 19 HN LYS 19 21.302 -1.364 -2.965 119 HA LYS 19 HA LYS 19 23.252 -2.682 -4.741 120 HB2 LYS 19 HB2 LYS 19 23.041 -0.687 -6.165 121 HB3 LYS 19 HB1 LYS 19 21.469 -1.431 -5.885 122 HG2 LYS 19 HG2 LYS 19 22.081 0.518 -3.820 123 HG3 LYS 19 HG1 LYS 19 22.154 1.249 -5.422 124 HD2 LYS 19 HD2 LYS 19 19.913 0.201 -5.914 125 HD3 LYS 19 HD1 LYS 19 19.834 -0.289 -4.220 126 HE2 LYS 19 HE2 LYS 19 20.211 2.160 -3.625 127 HE3 LYS 19 HE1 LYS 19 19.937 2.525 -5.329 128 HZ1 LYS 19 HZ1 LYS 19 17.775 2.450 -4.939 129 HZ2 LYS 19 HZ2 LYS 19 18.041 2.022 -3.316 130 HZ3 LYS 19 HZ3 LYS 19 17.904 0.815 -4.505 131 H PHE 20 HN PHE 20 22.786 -0.177 -2.406 132 HA PHE 20 HA PHE 20 25.629 0.557 -2.495 133 HB2 PHE 20 HB2 PHE 20 23.250 1.881 -1.169 134 HB3 PHE 20 HB1 PHE 20 24.914 2.439 -1.013 135 HD1 PHE 20 HD1 PHE 20 21.985 2.266 -3.174 136 HD2 PHE 20 HD2 PHE 20 26.169 3.230 -3.025 137 HE1 PHE 20 HE1 PHE 20 21.781 3.480 -5.326 138 HE2 PHE 20 HE2 PHE 20 25.964 4.446 -5.177 139 HZ PHE 20 HZ PHE 20 23.770 4.571 -6.328 140 H CYS 21 HN CYS 21 26.360 1.168 -0.153 141 HA CYS 21 HA CYS 21 27.135 0.323 1.836 142 HB2 CYS 21 HB2 CYS 21 25.489 -0.140 3.454 143 HB3 CYS 21 HB1 CYS 21 24.668 0.931 2.320 Start of MODEL 16 1 H1 ABA 1 HT1 ABU 1 4.534 -6.327 -2.372 2 H2 ABA 1 HT2 ABU 1 5.750 -5.394 -3.106 3 H3 ABA 1 HT3 ABU 1 4.336 -5.783 -3.966 4 HA ABA 1 HA ABU 1 3.030 -4.305 -2.799 5 HB2 ABA 1 HB2 ABU 1 4.132 -3.223 -0.671 6 HG1 ABA 1 HG1 ABU 1 2.130 -4.754 -0.771 7 HG3 ABA 1 HG3 ABU 1 3.234 -6.118 -0.587 8 HG2 ABA 1 HG2 ABU 1 3.086 -4.922 0.701 9 H DBU 2 HN DHB 2 3.726 -1.848 -1.946 10 HB DBU 2 HB DHB 2 5.660 0.622 -4.675 11 HG1 DBU 2 HG1 DHB 2 4.010 -1.748 -5.524 12 HG2 DBU 2 HG2 DHB 2 5.741 -1.912 -5.820 13 HG3 DBU 2 HG3 DHB 2 4.841 -0.585 -6.559 14 HA PRO 3 HA PRO 3 5.438 2.824 -0.889 15 HB2 PRO 3 HB2 PRO 3 2.647 2.566 0.125 16 HB3 PRO 3 HB1 PRO 3 3.511 4.005 -0.453 17 HG2 PRO 3 HG2 PRO 3 1.638 2.823 -1.931 18 HG3 PRO 3 HG1 PRO 3 3.083 3.540 -2.661 19 HD2 PRO 3 HD2 PRO 3 2.432 0.653 -2.223 20 HD3 PRO 3 HD1 PRO 3 3.350 1.416 -3.541 21 H ALA 4 HN ALA 4 3.571 0.023 0.241 22 HA ALA 4 HA ALA 4 4.535 0.349 2.971 23 HB1 ALA 4 HB1 ALA 4 2.797 -1.761 1.673 24 HB2 ALA 4 HB2 ALA 4 2.257 -0.424 2.690 25 HB3 ALA 4 HB3 ALA 4 3.216 -1.732 3.386 26 H CYS 5 HN CYS 5 5.251 -1.525 0.113 27 HA CYS 5 HA CYS 5 6.865 -3.487 1.450 28 HB2 CYS 5 HB2 CYS 5 6.294 -2.754 -1.381 29 HB3 CYS 5 HB1 CYS 5 7.768 -3.667 -1.047 30 H PHE 6 HN PHE 6 7.468 -0.404 -0.172 31 HA PHE 6 HA PHE 6 10.276 -0.512 -0.228 32 HB2 PHE 6 HB2 PHE 6 9.212 1.207 -1.479 33 HB3 PHE 6 HB1 PHE 6 8.348 1.805 -0.062 34 HD1 PHE 6 HD1 PHE 6 11.899 1.083 -1.096 35 HD2 PHE 6 HD2 PHE 6 9.189 3.708 0.959 36 HE1 PHE 6 HE1 PHE 6 13.779 2.624 -0.574 37 HE2 PHE 6 HE2 PHE 6 11.065 5.243 1.472 38 HZ PHE 6 HZ PHE 6 13.357 4.702 0.705 39 H DBU 7 HN DHB 7 8.077 0.826 2.262 40 HB DBU 7 HB DHB 7 9.229 0.626 6.035 41 HG1 DBU 7 HG1 DHB 7 7.853 -1.363 4.250 42 HG2 DBU 7 HG2 DHB 7 6.771 -0.182 4.991 43 HG3 DBU 7 HG3 DHB 7 7.749 -1.243 6.008 44 H ILE 8 HN ILE 8 9.552 2.824 5.538 45 HA ILE 8 HA ILE 8 11.465 4.435 4.217 46 HB ILE 8 HB ILE 8 10.600 4.331 7.114 47 HG12 ILE 8 HG12 ILE 8 9.947 6.330 4.928 48 HG13 ILE 8 HG11 ILE 8 8.918 4.949 5.316 49 HG21 ILE 8 HG21 ILE 8 12.834 5.334 6.939 50 HG22 ILE 8 HG22 ILE 8 11.635 6.583 7.270 51 HG23 ILE 8 HG23 ILE 8 12.276 6.387 5.639 52 HD11 ILE 8 HD11 ILE 8 8.228 5.848 7.311 53 HD12 ILE 8 HD12 ILE 8 8.610 7.360 6.487 54 HD13 ILE 8 HD13 ILE 8 9.773 6.646 7.604 55 H GLY 9 HN GLY 9 11.786 2.073 6.859 56 HA2 GLY 9 HA2 GLY 9 14.647 2.471 7.062 57 HA3 GLY 9 HA1 GLY 9 13.691 1.277 7.934 58 H LEU 10 HN LEU 10 12.604 -0.321 6.177 59 HA LEU 10 HA LEU 10 14.732 -1.907 5.203 60 HB2 LEU 10 HB2 LEU 10 13.125 -3.468 4.738 61 HB3 LEU 10 HB1 LEU 10 12.173 -2.436 5.804 62 HG LEU 10 HG LEU 10 11.565 -1.138 3.638 63 HD11 LEU 10 HD11 LEU 10 13.162 -3.350 2.618 64 HD12 LEU 10 HD12 LEU 10 12.588 -1.907 1.780 65 HD13 LEU 10 HD13 LEU 10 11.551 -3.329 1.902 66 HD21 LEU 10 HD21 LEU 10 9.600 -2.155 4.035 67 HD22 LEU 10 HD22 LEU 10 10.443 -3.398 4.961 68 HD23 LEU 10 HD23 LEU 10 10.180 -3.613 3.230 69 H GLY 11 HN GLY 11 12.684 0.507 3.701 70 HA2 GLY 11 HA2 GLY 11 13.133 -0.050 1.001 71 HA3 GLY 11 HA1 GLY 11 12.795 1.548 1.657 72 H VAL 12 HN VAL 12 15.003 2.019 3.217 73 HA VAL 12 HA VAL 12 16.910 2.826 1.287 74 HB VAL 12 HB VAL 12 16.371 3.648 3.773 75 HG11 VAL 12 HG11 VAL 12 18.146 2.972 5.318 76 HG12 VAL 12 HG12 VAL 12 18.832 1.903 4.095 77 HG13 VAL 12 HG13 VAL 12 17.249 1.549 4.787 78 HG21 VAL 12 HG21 VAL 12 19.235 3.869 2.961 79 HG22 VAL 12 HG22 VAL 12 18.102 5.136 3.433 80 HG23 VAL 12 HG23 VAL 12 18.012 4.430 1.818 81 H GLY 13 HN GLY 13 16.828 0.141 3.604 82 HA2 GLY 13 HA2 GLY 13 19.434 -0.841 3.077 83 HA3 GLY 13 HA1 GLY 13 18.110 -1.764 3.782 84 H ALA 14 HN ALA 14 16.269 -1.523 1.640 85 HA ALA 14 HA ALA 14 17.161 -3.653 -0.033 86 HB1 ALA 14 HB1 ALA 14 14.715 -1.935 0.118 87 HB2 ALA 14 HB2 ALA 14 14.866 -3.686 0.271 88 HB3 ALA 14 HB3 ALA 14 14.985 -2.925 -1.315 89 H LEU 15 HN LEU 15 16.840 -0.181 -0.407 90 HA LEU 15 HA LEU 15 17.716 -0.284 -3.203 91 HB2 LEU 15 HB2 LEU 15 16.984 2.088 -1.481 92 HB3 LEU 15 HB1 LEU 15 17.126 2.052 -3.235 93 HG LEU 15 HG LEU 15 15.143 0.483 -1.593 94 HD11 LEU 15 HD11 LEU 15 14.912 3.049 -1.969 95 HD12 LEU 15 HD12 LEU 15 13.517 2.015 -2.279 96 HD13 LEU 15 HD13 LEU 15 14.501 2.599 -3.623 97 HD21 LEU 15 HD21 LEU 15 15.968 -0.646 -3.689 98 HD22 LEU 15 HD22 LEU 15 15.373 0.737 -4.605 99 HD23 LEU 15 HD23 LEU 15 14.244 -0.281 -3.711 100 H PHE 16 HN PHE 16 18.562 1.645 -0.342 101 HA PHE 16 HA PHE 16 21.144 2.328 -1.380 102 HB2 PHE 16 HB2 PHE 16 19.992 3.862 0.103 103 HB3 PHE 16 HB1 PHE 16 19.924 2.640 1.372 104 HD1 PHE 16 HD1 PHE 16 22.255 4.711 -0.660 105 HD2 PHE 16 HD2 PHE 16 21.767 2.219 2.802 106 HE1 PHE 16 HE1 PHE 16 24.511 5.377 0.133 107 HE2 PHE 16 HE2 PHE 16 24.021 2.888 3.601 108 HZ PHE 16 HZ PHE 16 25.392 4.468 2.266 109 H DAL 17 HN DAL 17 19.849 -0.105 0.791 110 HA DAL 17 HA DAL 17 20.874 -1.790 1.989 111 HB1 DAL 17 HB2 DAL 17 23.483 -0.429 1.294 112 HB2 DAL 17 HB3 DAL 17 22.516 -0.064 2.717 113 H ALA 18 HN ALA 18 20.321 -1.646 -0.936 114 HA ALA 18 HA ALA 18 21.342 -4.210 -1.642 115 HB1 ALA 18 HB1 ALA 18 19.658 -2.136 -2.952 116 HB2 ALA 18 HB2 ALA 18 19.327 -3.845 -2.666 117 HB3 ALA 18 HB3 ALA 18 20.398 -3.360 -3.982 118 H LYS 19 HN LYS 19 22.292 -0.921 -2.582 119 HA LYS 19 HA LYS 19 24.380 -2.058 -4.318 120 HB2 LYS 19 HB2 LYS 19 24.515 0.680 -4.635 121 HB3 LYS 19 HB1 LYS 19 23.601 -0.413 -5.675 122 HG2 LYS 19 HG2 LYS 19 21.625 -0.121 -4.192 123 HG3 LYS 19 HG1 LYS 19 22.539 1.035 -3.232 124 HD2 LYS 19 HD2 LYS 19 21.260 2.346 -4.750 125 HD3 LYS 19 HD1 LYS 19 22.896 2.333 -5.411 126 HE2 LYS 19 HE2 LYS 19 22.319 0.681 -7.047 127 HE3 LYS 19 HE1 LYS 19 20.776 0.347 -6.260 128 HZ1 LYS 19 HZ1 LYS 19 21.225 3.106 -7.040 129 HZ2 LYS 19 HZ2 LYS 19 19.823 2.155 -7.163 130 HZ3 LYS 19 HZ3 LYS 19 21.057 2.010 -8.322 131 H PHE 20 HN PHE 20 23.823 -0.625 -1.321 132 HA PHE 20 HA PHE 20 26.715 -0.258 -0.865 133 HB2 PHE 20 HB2 PHE 20 24.546 1.364 0.472 134 HB3 PHE 20 HB1 PHE 20 26.286 1.646 0.505 135 HD1 PHE 20 HD1 PHE 20 23.305 1.596 -1.706 136 HD2 PHE 20 HD2 PHE 20 27.379 2.856 -1.233 137 HE1 PHE 20 HE1 PHE 20 23.108 2.971 -3.749 138 HE2 PHE 20 HE2 PHE 20 27.187 4.243 -3.283 139 HZ PHE 20 HZ PHE 20 25.049 4.302 -4.542 140 H CYS 21 HN CYS 21 26.971 -0.095 1.664 141 HA CYS 21 HA CYS 21 27.041 -1.306 3.621 142 HB2 CYS 21 HB2 CYS 21 24.972 -1.589 4.715 143 HB3 CYS 21 HB1 CYS 21 24.688 -0.240 3.620 Start of MODEL 17 1 H1 ABA 1 HT1 ABU 1 6.130 -4.332 -5.956 2 H2 ABA 1 HT2 ABU 1 4.728 -5.290 -5.879 3 H3 ABA 1 HT3 ABU 1 6.142 -5.782 -5.077 4 HA ABA 1 HA ABU 1 4.170 -4.610 -3.809 5 HB2 ABA 1 HB2 ABU 1 6.037 -5.419 -2.602 6 HG1 ABA 1 HG1 ABU 1 8.181 -5.116 -3.235 7 HG3 ABA 1 HG3 ABU 1 7.525 -4.336 -4.673 8 HG2 ABA 1 HG2 ABU 1 8.006 -3.363 -3.283 9 H DBU 2 HN DHB 2 6.723 -2.303 -3.574 10 HB DBU 2 HB DHB 2 5.488 1.166 -5.535 11 HG1 DBU 2 HG1 DHB 2 3.725 -0.692 -6.445 12 HG2 DBU 2 HG2 DHB 2 5.231 -1.541 -6.792 13 HG3 DBU 2 HG3 DHB 2 4.912 0.028 -7.532 14 HA PRO 3 HA PRO 3 7.511 2.424 -1.898 15 HB2 PRO 3 HB2 PRO 3 5.457 3.857 -0.830 16 HB3 PRO 3 HB1 PRO 3 6.115 4.166 -2.450 17 HG2 PRO 3 HG2 PRO 3 3.638 2.727 -1.655 18 HG3 PRO 3 HG1 PRO 3 3.933 3.795 -3.036 19 HD2 PRO 3 HD2 PRO 3 3.891 1.042 -3.201 20 HD3 PRO 3 HD1 PRO 3 4.757 2.099 -4.335 21 H ALA 4 HN ALA 4 4.613 0.678 -0.866 22 HA ALA 4 HA ALA 4 5.100 0.883 1.934 23 HB1 ALA 4 HB1 ALA 4 3.606 -1.401 1.632 24 HB2 ALA 4 HB2 ALA 4 3.214 -0.502 0.167 25 HB3 ALA 4 HB3 ALA 4 2.948 0.231 1.749 26 H CYS 5 HN CYS 5 6.228 -1.265 -0.578 27 HA CYS 5 HA CYS 5 7.226 -3.255 1.273 28 HB2 CYS 5 HB2 CYS 5 8.289 -3.200 -1.472 29 HB3 CYS 5 HB1 CYS 5 7.554 -4.528 -0.569 30 H PHE 6 HN PHE 6 8.353 -0.328 -0.199 31 HA PHE 6 HA PHE 6 11.121 -0.768 -0.206 32 HB2 PHE 6 HB2 PHE 6 10.482 1.200 -1.277 33 HB3 PHE 6 HB1 PHE 6 9.395 1.674 0.026 34 HD1 PHE 6 HD1 PHE 6 12.780 0.388 0.682 35 HD2 PHE 6 HD2 PHE 6 10.358 3.911 0.282 36 HE1 PHE 6 HE1 PHE 6 14.577 1.730 1.718 37 HE2 PHE 6 HE2 PHE 6 12.164 5.266 1.313 38 HZ PHE 6 HZ PHE 6 14.276 4.177 2.032 39 H DBU 7 HN DHB 7 9.046 0.631 2.362 40 HB DBU 7 HB DHB 7 10.218 -0.258 6.088 41 HG1 DBU 7 HG1 DHB 7 9.191 -2.356 5.799 42 HG2 DBU 7 HG2 DHB 7 9.740 -2.388 4.122 43 HG3 DBU 7 HG3 DHB 7 8.203 -1.625 4.533 44 H ILE 8 HN ILE 8 9.334 2.371 5.379 45 HA ILE 8 HA ILE 8 11.147 4.390 4.552 46 HB ILE 8 HB ILE 8 9.324 4.195 6.956 47 HG12 ILE 8 HG12 ILE 8 8.245 4.228 4.706 48 HG13 ILE 8 HG11 ILE 8 7.894 5.688 5.633 49 HG21 ILE 8 HG21 ILE 8 9.975 6.885 6.194 50 HG22 ILE 8 HG22 ILE 8 11.473 5.999 6.480 51 HG23 ILE 8 HG23 ILE 8 10.247 6.090 7.744 52 HD11 ILE 8 HD11 ILE 8 9.852 5.354 3.356 53 HD12 ILE 8 HD12 ILE 8 9.916 6.734 4.452 54 HD13 ILE 8 HD13 ILE 8 8.483 6.462 3.461 55 H GLY 9 HN GLY 9 11.012 2.354 7.461 56 HA2 GLY 9 HA2 GLY 9 13.348 3.527 8.649 57 HA3 GLY 9 HA1 GLY 9 12.536 2.056 9.173 58 H LEU 10 HN LEU 10 13.463 0.151 8.750 59 HA LEU 10 HA LEU 10 16.093 -0.017 7.768 60 HB2 LEU 10 HB2 LEU 10 15.976 -2.239 8.314 61 HB3 LEU 10 HB1 LEU 10 14.549 -1.692 9.193 62 HG LEU 10 HG LEU 10 13.261 -2.152 6.995 63 HD11 LEU 10 HD11 LEU 10 15.974 -3.129 6.369 64 HD12 LEU 10 HD12 LEU 10 14.668 -2.656 5.280 65 HD13 LEU 10 HD13 LEU 10 14.684 -4.272 5.991 66 HD21 LEU 10 HD21 LEU 10 13.115 -3.525 9.075 67 HD22 LEU 10 HD22 LEU 10 14.471 -4.495 8.501 68 HD23 LEU 10 HD23 LEU 10 12.947 -4.498 7.614 69 H GLY 11 HN GLY 11 12.994 -0.233 6.197 70 HA2 GLY 11 HA2 GLY 11 13.358 -1.578 3.893 71 HA3 GLY 11 HA1 GLY 11 12.518 -0.034 3.942 72 H VAL 12 HN VAL 12 15.161 1.183 4.882 73 HA VAL 12 HA VAL 12 16.029 2.209 2.409 74 HB VAL 12 HB VAL 12 16.393 3.298 4.629 75 HG11 VAL 12 HG11 VAL 12 18.167 2.513 6.082 76 HG12 VAL 12 HG12 VAL 12 18.601 1.240 4.940 77 HG13 VAL 12 HG13 VAL 12 17.059 1.172 5.796 78 HG21 VAL 12 HG21 VAL 12 19.099 2.833 3.405 79 HG22 VAL 12 HG22 VAL 12 18.373 4.343 3.955 80 HG23 VAL 12 HG23 VAL 12 17.839 3.605 2.446 81 H GLY 13 HN GLY 13 17.200 -0.496 4.382 82 HA2 GLY 13 HA2 GLY 13 19.590 -1.035 3.040 83 HA3 GLY 13 HA1 GLY 13 18.609 -2.241 3.871 84 H ALA 14 HN ALA 14 16.290 -2.191 2.377 85 HA ALA 14 HA ALA 14 17.039 -3.762 0.115 86 HB1 ALA 14 HB1 ALA 14 15.000 -4.439 1.003 87 HB2 ALA 14 HB2 ALA 14 14.472 -3.471 -0.374 88 HB3 ALA 14 HB3 ALA 14 14.441 -2.785 1.251 89 H LEU 15 HN LEU 15 15.969 -0.451 0.584 90 HA LEU 15 HA LEU 15 15.632 0.130 -2.205 91 HB2 LEU 15 HB2 LEU 15 14.414 1.473 -0.667 92 HB3 LEU 15 HB1 LEU 15 15.866 1.865 0.254 93 HG LEU 15 HG LEU 15 16.753 2.920 -1.917 94 HD11 LEU 15 HD11 LEU 15 14.159 1.938 -2.753 95 HD12 LEU 15 HD12 LEU 15 15.471 2.592 -3.735 96 HD13 LEU 15 HD13 LEU 15 14.285 3.678 -3.008 97 HD21 LEU 15 HD21 LEU 15 15.462 3.997 0.190 98 HD22 LEU 15 HD22 LEU 15 14.316 4.420 -1.083 99 HD23 LEU 15 HD23 LEU 15 15.990 4.965 -1.186 100 H PHE 16 HN PHE 16 17.972 1.474 0.122 101 HA PHE 16 HA PHE 16 19.830 1.962 -2.099 102 HB2 PHE 16 HB2 PHE 16 19.394 3.126 0.587 103 HB3 PHE 16 HB1 PHE 16 21.070 3.033 0.047 104 HD1 PHE 16 HD1 PHE 16 17.763 4.512 -0.592 105 HD2 PHE 16 HD2 PHE 16 21.829 4.231 -1.939 106 HE1 PHE 16 HE1 PHE 16 17.407 6.475 -2.067 107 HE2 PHE 16 HE2 PHE 16 21.476 6.194 -3.416 108 HZ PHE 16 HZ PHE 16 19.264 7.316 -3.480 109 H DAL 17 HN DAL 17 19.472 0.055 0.808 110 HA DAL 17 HA DAL 17 20.758 -1.587 1.750 111 HB1 DAL 17 HB2 DAL 17 23.058 -0.271 0.314 112 HB2 DAL 17 HB3 DAL 17 22.445 0.242 1.878 113 H ALA 18 HN ALA 18 19.580 -1.705 -1.021 114 HA ALA 18 HA ALA 18 20.444 -4.337 -1.656 115 HB1 ALA 18 HB1 ALA 18 18.223 -3.907 -2.238 116 HB2 ALA 18 HB2 ALA 18 19.044 -3.834 -3.797 117 HB3 ALA 18 HB3 ALA 18 18.611 -2.344 -2.958 118 H LYS 19 HN LYS 19 21.096 -1.166 -3.119 119 HA LYS 19 HA LYS 19 22.911 -2.458 -5.041 120 HB2 LYS 19 HB2 LYS 19 22.791 -0.436 -6.320 121 HB3 LYS 19 HB1 LYS 19 21.142 -0.801 -5.817 122 HG2 LYS 19 HG2 LYS 19 22.576 0.824 -3.853 123 HG3 LYS 19 HG1 LYS 19 22.460 1.611 -5.426 124 HD2 LYS 19 HD2 LYS 19 19.965 0.917 -5.369 125 HD3 LYS 19 HD1 LYS 19 20.224 0.653 -3.644 126 HE2 LYS 19 HE2 LYS 19 19.431 2.918 -3.923 127 HE3 LYS 19 HE1 LYS 19 21.142 2.996 -3.504 128 HZ1 LYS 19 HZ1 LYS 19 21.728 3.631 -5.595 129 HZ2 LYS 19 HZ2 LYS 19 20.183 4.335 -5.521 130 HZ3 LYS 19 HZ3 LYS 19 20.411 2.861 -6.336 131 H PHE 20 HN PHE 20 22.788 -0.491 -2.232 132 HA PHE 20 HA PHE 20 25.703 -0.034 -2.362 133 HB2 PHE 20 HB2 PHE 20 23.633 1.585 -0.848 134 HB3 PHE 20 HB1 PHE 20 25.369 1.895 -0.894 135 HD1 PHE 20 HD1 PHE 20 23.472 3.990 -1.727 136 HD2 PHE 20 HD2 PHE 20 25.210 0.778 -3.985 137 HE1 PHE 20 HE1 PHE 20 23.179 5.298 -3.814 138 HE2 PHE 20 HE2 PHE 20 24.915 2.083 -6.070 139 HZ PHE 20 HZ PHE 20 23.901 4.344 -5.986 140 H CYS 21 HN CYS 21 26.409 0.432 0.071 141 HA CYS 21 HA CYS 21 27.017 -0.611 2.030 142 HB2 CYS 21 HB2 CYS 21 25.245 -1.076 3.541 143 HB3 CYS 21 HB1 CYS 21 24.639 0.212 2.500 Start of MODEL 18 1 H1 ABA 1 HT1 ABU 1 6.149 -6.042 -3.374 2 H2 ABA 1 HT2 ABU 1 5.009 -5.130 -4.245 3 H3 ABA 1 HT3 ABU 1 4.493 -6.236 -3.063 4 HA ABA 1 HA ABU 1 5.495 -4.933 -1.323 5 HB2 ABA 1 HB2 ABU 1 7.078 -3.384 -1.758 6 HG1 ABA 1 HG1 ABU 1 6.615 -4.212 -4.640 7 HG3 ABA 1 HG3 ABU 1 7.992 -3.258 -4.087 8 HG2 ABA 1 HG2 ABU 1 7.783 -4.915 -3.520 9 H DBU 2 HN DHB 2 4.641 -2.537 -0.774 10 HB DBU 2 HB DHB 2 0.566 -1.763 -0.976 11 HG1 DBU 2 HG1 DHB 2 1.852 -4.542 -0.944 12 HG2 DBU 2 HG2 DHB 2 0.403 -4.188 -1.885 13 HG3 DBU 2 HG3 DHB 2 0.361 -4.080 -0.125 14 HA PRO 3 HA PRO 3 2.425 2.160 -1.297 15 HB2 PRO 3 HB2 PRO 3 2.016 3.008 1.279 16 HB3 PRO 3 HB1 PRO 3 0.705 2.537 0.180 17 HG2 PRO 3 HG2 PRO 3 1.989 0.983 2.369 18 HG3 PRO 3 HG1 PRO 3 0.283 1.071 1.895 19 HD2 PRO 3 HD2 PRO 3 1.893 -1.029 1.212 20 HD3 PRO 3 HD1 PRO 3 0.533 -0.489 0.203 21 H ALA 4 HN ALA 4 4.176 0.394 1.160 22 HA ALA 4 HA ALA 4 6.279 2.465 1.195 23 HB1 ALA 4 HB1 ALA 4 6.398 0.184 3.078 24 HB2 ALA 4 HB2 ALA 4 5.064 1.315 3.313 25 HB3 ALA 4 HB3 ALA 4 6.730 1.894 3.354 26 H CYS 5 HN CYS 5 5.699 0.171 -0.788 27 HA CYS 5 HA CYS 5 7.260 -1.947 -0.828 28 HB2 CYS 5 HB2 CYS 5 6.970 0.170 -2.925 29 HB3 CYS 5 HB1 CYS 5 8.044 -1.199 -3.202 30 H PHE 6 HN PHE 6 8.590 1.317 -1.361 31 HA PHE 6 HA PHE 6 11.278 0.517 -1.553 32 HB2 PHE 6 HB2 PHE 6 10.956 2.707 -2.241 33 HB3 PHE 6 HB1 PHE 6 9.883 3.082 -0.893 34 HD1 PHE 6 HD1 PHE 6 13.112 1.317 -0.474 35 HD2 PHE 6 HD2 PHE 6 11.056 5.077 -0.166 36 HE1 PHE 6 HE1 PHE 6 14.999 2.234 0.843 37 HE2 PHE 6 HE2 PHE 6 12.949 6.003 1.142 38 HZ PHE 6 HZ PHE 6 14.919 4.584 1.648 39 H DBU 7 HN DHB 7 9.416 1.689 1.281 40 HB DBU 7 HB DHB 7 10.456 -0.029 4.769 41 HG1 DBU 7 HG1 DHB 7 9.064 -1.809 4.148 42 HG2 DBU 7 HG2 DHB 7 9.760 -1.736 2.528 43 HG3 DBU 7 HG3 DHB 7 8.327 -0.782 2.916 44 H ILE 8 HN ILE 8 9.869 2.903 4.407 45 HA ILE 8 HA ILE 8 11.999 4.711 3.943 46 HB ILE 8 HB ILE 8 10.025 4.494 6.221 47 HG12 ILE 8 HG12 ILE 8 9.081 4.985 3.979 48 HG13 ILE 8 HG11 ILE 8 8.942 6.376 5.057 49 HG21 ILE 8 HG21 ILE 8 12.313 5.726 6.611 50 HG22 ILE 8 HG22 ILE 8 10.810 6.520 7.080 51 HG23 ILE 8 HG23 ILE 8 11.608 6.965 5.572 52 HD11 ILE 8 HD11 ILE 8 11.479 6.560 3.788 53 HD12 ILE 8 HD12 ILE 8 10.082 7.615 3.568 54 HD13 ILE 8 HD13 ILE 8 10.295 6.206 2.529 55 H GLY 9 HN GLY 9 11.404 2.353 6.535 56 HA2 GLY 9 HA2 GLY 9 13.874 3.000 7.900 57 HA3 GLY 9 HA1 GLY 9 12.757 1.704 8.315 58 H LEU 10 HN LEU 10 13.024 -0.336 7.414 59 HA LEU 10 HA LEU 10 15.643 -1.113 6.747 60 HB2 LEU 10 HB2 LEU 10 14.253 -2.767 7.679 61 HB3 LEU 10 HB1 LEU 10 12.953 -2.446 6.533 62 HG LEU 10 HG LEU 10 14.334 -4.542 6.117 63 HD11 LEU 10 HD11 LEU 10 13.107 -2.785 4.371 64 HD12 LEU 10 HD12 LEU 10 13.671 -4.404 3.956 65 HD13 LEU 10 HD13 LEU 10 14.700 -3.004 3.644 66 HD21 LEU 10 HD21 LEU 10 16.385 -3.089 4.648 67 HD22 LEU 10 HD22 LEU 10 16.568 -4.404 5.808 68 HD23 LEU 10 HD23 LEU 10 16.456 -2.739 6.373 69 H GLY 11 HN GLY 11 12.782 -0.481 4.790 70 HA2 GLY 11 HA2 GLY 11 13.239 -1.352 2.335 71 HA3 GLY 11 HA1 GLY 11 12.753 0.314 2.597 72 H VAL 12 HN VAL 12 15.302 0.945 3.973 73 HA VAL 12 HA VAL 12 16.755 1.962 1.799 74 HB VAL 12 HB VAL 12 16.884 2.749 4.183 75 HG11 VAL 12 HG11 VAL 12 17.084 0.395 5.103 76 HG12 VAL 12 HG12 VAL 12 18.242 1.548 5.767 77 HG13 VAL 12 HG13 VAL 12 18.755 0.392 4.536 78 HG21 VAL 12 HG21 VAL 12 19.661 2.024 3.301 79 HG22 VAL 12 HG22 VAL 12 19.057 3.557 3.931 80 HG23 VAL 12 HG23 VAL 12 18.679 3.073 2.277 81 H GLY 13 HN GLY 13 17.284 -0.957 3.766 82 HA2 GLY 13 HA2 GLY 13 19.644 -1.780 2.436 83 HA3 GLY 13 HA1 GLY 13 18.594 -2.816 3.400 84 H ALA 14 HN ALA 14 16.224 -2.194 1.766 85 HA ALA 14 HA ALA 14 16.405 -4.306 -0.095 86 HB1 ALA 14 HB1 ALA 14 14.402 -2.226 0.601 87 HB2 ALA 14 HB2 ALA 14 14.211 -3.973 0.459 88 HB3 ALA 14 HB3 ALA 14 14.245 -2.969 -0.991 89 H LEU 15 HN LEU 15 16.422 -0.780 -0.559 90 HA LEU 15 HA LEU 15 17.206 -1.199 -3.364 91 HB2 LEU 15 HB2 LEU 15 16.029 0.661 -3.876 92 HB3 LEU 15 HB1 LEU 15 15.305 0.464 -2.283 93 HG LEU 15 HG LEU 15 17.889 1.989 -2.536 94 HD11 LEU 15 HD11 LEU 15 15.113 2.954 -3.239 95 HD12 LEU 15 HD12 LEU 15 16.595 3.128 -4.182 96 HD13 LEU 15 HD13 LEU 15 16.378 4.059 -2.700 97 HD21 LEU 15 HD21 LEU 15 17.440 2.272 -0.342 98 HD22 LEU 15 HD22 LEU 15 15.941 1.366 -0.520 99 HD23 LEU 15 HD23 LEU 15 15.956 3.108 -0.779 100 H PHE 16 HN PHE 16 18.067 0.669 -0.489 101 HA PHE 16 HA PHE 16 20.530 1.633 -1.627 102 HB2 PHE 16 HB2 PHE 16 19.070 2.737 0.208 103 HB3 PHE 16 HB1 PHE 16 19.887 1.634 1.313 104 HD1 PHE 16 HD1 PHE 16 20.814 3.804 -1.605 105 HD2 PHE 16 HD2 PHE 16 21.748 2.516 2.382 106 HE1 PHE 16 HE1 PHE 16 22.778 5.318 -1.580 107 HE2 PHE 16 HE2 PHE 16 23.715 4.028 2.410 108 HZ PHE 16 HZ PHE 16 24.229 5.430 0.429 109 H DAL 17 HN DAL 17 19.532 -1.027 0.419 110 HA DAL 17 HA DAL 17 20.681 -2.834 1.260 111 HB1 DAL 17 HB2 DAL 17 23.307 -1.470 1.120 112 HB2 DAL 17 HB3 DAL 17 22.084 -0.721 2.144 113 H ALA 18 HN ALA 18 20.714 -1.911 -1.733 114 HA ALA 18 HA ALA 18 22.038 -4.241 -2.700 115 HB1 ALA 18 HB1 ALA 18 21.630 -2.189 -4.711 116 HB2 ALA 18 HB2 ALA 18 20.203 -2.387 -3.694 117 HB3 ALA 18 HB3 ALA 18 20.869 -3.773 -4.558 118 H LYS 19 HN LYS 19 22.890 -0.757 -2.818 119 HA LYS 19 HA LYS 19 25.562 -1.555 -3.792 120 HB2 LYS 19 HB2 LYS 19 25.653 1.058 -4.135 121 HB3 LYS 19 HB1 LYS 19 24.819 0.027 -5.297 122 HG2 LYS 19 HG2 LYS 19 23.351 1.171 -2.930 123 HG3 LYS 19 HG1 LYS 19 23.571 2.127 -4.392 124 HD2 LYS 19 HD2 LYS 19 22.709 -0.293 -5.405 125 HD3 LYS 19 HD1 LYS 19 21.783 -0.160 -3.908 126 HE2 LYS 19 HE2 LYS 19 21.966 2.298 -5.569 127 HE3 LYS 19 HE1 LYS 19 20.976 0.985 -6.207 128 HZ1 LYS 19 HZ1 LYS 19 20.250 2.809 -4.286 129 HZ2 LYS 19 HZ2 LYS 19 20.519 1.368 -3.427 130 HZ3 LYS 19 HZ3 LYS 19 19.410 1.400 -4.713 131 H PHE 20 HN PHE 20 23.918 0.433 -1.359 132 HA PHE 20 HA PHE 20 26.420 0.431 0.220 133 HB2 PHE 20 HB2 PHE 20 24.450 2.722 0.128 134 HB3 PHE 20 HB1 PHE 20 26.047 2.701 0.879 135 HD1 PHE 20 HD1 PHE 20 24.204 2.779 -2.306 136 HD2 PHE 20 HD2 PHE 20 28.080 2.864 -0.459 137 HE1 PHE 20 HE1 PHE 20 25.206 3.511 -4.449 138 HE2 PHE 20 HE2 PHE 20 29.085 3.599 -2.606 139 HZ PHE 20 HZ PHE 20 27.648 3.923 -4.601 140 H CYS 21 HN CYS 21 26.136 -0.518 2.155 141 HA CYS 21 HA CYS 21 23.440 -0.405 3.370 142 HB2 CYS 21 HB2 CYS 21 25.098 -2.718 2.714 143 HB3 CYS 21 HB1 CYS 21 24.617 -2.682 4.409 Start of MODEL 19 1 H1 ABA 1 HT1 ABU 1 3.179 -3.328 -4.216 2 H2 ABA 1 HT2 ABU 1 2.408 -2.240 -3.164 3 H3 ABA 1 HT3 ABU 1 2.307 -3.914 -2.885 4 HA ABA 1 HA ABU 1 3.863 -3.053 -1.353 5 HB2 ABA 1 HB2 ABU 1 4.372 -5.119 -2.993 6 HG1 ABA 1 HG1 ABU 1 5.634 -4.248 -4.719 7 HG3 ABA 1 HG3 ABU 1 6.375 -3.012 -3.706 8 HG2 ABA 1 HG2 ABU 1 6.913 -4.679 -3.590 9 H DBU 2 HN DHB 2 3.775 -1.531 -4.385 10 HB DBU 2 HB DHB 2 5.558 1.598 -5.656 11 HG1 DBU 2 HG1 DHB 2 4.744 -0.006 -7.491 12 HG2 DBU 2 HG2 DHB 2 3.434 1.016 -6.898 13 HG3 DBU 2 HG3 DHB 2 3.575 -0.651 -6.338 14 HA PRO 3 HA PRO 3 7.429 2.324 -1.719 15 HB2 PRO 3 HB2 PRO 3 5.783 3.904 -0.236 16 HB3 PRO 3 HB1 PRO 3 6.289 4.314 -1.886 17 HG2 PRO 3 HG2 PRO 3 3.698 3.290 -0.901 18 HG3 PRO 3 HG1 PRO 3 4.052 4.341 -2.281 19 HD2 PRO 3 HD2 PRO 3 3.509 1.580 -2.407 20 HD3 PRO 3 HD1 PRO 3 4.192 2.568 -3.713 21 H ALA 4 HN ALA 4 4.549 0.644 -0.652 22 HA ALA 4 HA ALA 4 5.191 0.541 2.126 23 HB1 ALA 4 HB1 ALA 4 2.913 0.175 1.388 24 HB2 ALA 4 HB2 ALA 4 3.493 -1.296 2.168 25 HB3 ALA 4 HB3 ALA 4 3.411 -1.204 0.410 26 H CYS 5 HN CYS 5 5.996 -1.464 -0.627 27 HA CYS 5 HA CYS 5 7.089 -3.617 0.924 28 HB2 CYS 5 HB2 CYS 5 7.019 -2.922 -1.980 29 HB3 CYS 5 HB1 CYS 5 8.128 -4.164 -1.413 30 H PHE 6 HN PHE 6 8.304 -0.716 -0.653 31 HA PHE 6 HA PHE 6 11.045 -1.281 -0.591 32 HB2 PHE 6 HB2 PHE 6 10.548 0.635 -1.804 33 HB3 PHE 6 HB1 PHE 6 9.418 1.235 -0.591 34 HD1 PHE 6 HD1 PHE 6 12.794 -0.081 0.171 35 HD2 PHE 6 HD2 PHE 6 10.375 3.434 -0.306 36 HE1 PHE 6 HE1 PHE 6 14.586 1.283 1.198 37 HE2 PHE 6 HE2 PHE 6 12.171 4.805 0.713 38 HZ PHE 6 HZ PHE 6 14.277 3.731 1.465 39 H DBU 7 HN DHB 7 9.010 0.365 1.846 40 HB DBU 7 HB DHB 7 10.140 -0.324 5.632 41 HG1 DBU 7 HG1 DHB 7 8.596 -2.151 5.414 42 HG2 DBU 7 HG2 DHB 7 9.864 -2.727 4.330 43 HG3 DBU 7 HG3 DHB 7 8.448 -1.904 3.673 44 H ILE 8 HN ILE 8 9.247 2.271 4.712 45 HA ILE 8 HA ILE 8 11.097 4.215 3.796 46 HB ILE 8 HB ILE 8 9.203 4.216 6.152 47 HG12 ILE 8 HG12 ILE 8 8.160 4.081 3.909 48 HG13 ILE 8 HG11 ILE 8 7.850 5.647 4.663 49 HG21 ILE 8 HG21 ILE 8 11.141 6.253 5.114 50 HG22 ILE 8 HG22 ILE 8 10.676 5.899 6.778 51 HG23 ILE 8 HG23 ILE 8 9.584 6.805 5.731 52 HD11 ILE 8 HD11 ILE 8 8.508 6.183 2.452 53 HD12 ILE 8 HD12 ILE 8 9.803 4.985 2.457 54 HD13 ILE 8 HD13 ILE 8 9.959 6.457 3.417 55 H GLY 9 HN GLY 9 10.860 2.390 6.831 56 HA2 GLY 9 HA2 GLY 9 13.173 3.630 8.000 57 HA3 GLY 9 HA1 GLY 9 12.320 2.221 8.618 58 H LEU 10 HN LEU 10 13.137 0.221 8.262 59 HA LEU 10 HA LEU 10 15.829 -0.074 7.494 60 HB2 LEU 10 HB2 LEU 10 15.580 -2.268 8.103 61 HB3 LEU 10 HB1 LEU 10 14.117 -1.633 8.855 62 HG LEU 10 HG LEU 10 12.977 -2.123 6.583 63 HD11 LEU 10 HD11 LEU 10 14.387 -4.339 5.774 64 HD12 LEU 10 HD12 LEU 10 15.685 -3.223 6.200 65 HD13 LEU 10 HD13 LEU 10 14.480 -2.755 4.999 66 HD21 LEU 10 HD21 LEU 10 13.377 -4.779 7.394 67 HD22 LEU 10 HD22 LEU 10 12.108 -3.688 7.952 68 HD23 LEU 10 HD23 LEU 10 13.619 -3.818 8.854 69 H GLY 11 HN GLY 11 12.826 -0.355 5.705 70 HA2 GLY 11 HA2 GLY 11 13.349 -1.762 3.486 71 HA3 GLY 11 HA1 GLY 11 12.533 -0.206 3.416 72 H VAL 12 HN VAL 12 15.056 1.079 4.481 73 HA VAL 12 HA VAL 12 16.149 1.927 2.013 74 HB VAL 12 HB VAL 12 16.273 3.219 4.149 75 HG11 VAL 12 HG11 VAL 12 16.940 1.025 5.422 76 HG12 VAL 12 HG12 VAL 12 17.621 2.565 5.947 77 HG13 VAL 12 HG13 VAL 12 18.583 1.467 4.955 78 HG21 VAL 12 HG21 VAL 12 18.403 4.168 3.688 79 HG22 VAL 12 HG22 VAL 12 17.890 3.470 2.152 80 HG23 VAL 12 HG23 VAL 12 19.064 2.621 3.158 81 H GLY 13 HN GLY 13 17.219 -0.524 4.360 82 HA2 GLY 13 HA2 GLY 13 19.723 -1.121 3.262 83 HA3 GLY 13 HA1 GLY 13 18.718 -2.256 4.162 84 H ALA 14 HN ALA 14 16.512 -2.456 2.504 85 HA ALA 14 HA ALA 14 17.461 -4.267 0.506 86 HB1 ALA 14 HB1 ALA 14 15.248 -4.395 1.772 87 HB2 ALA 14 HB2 ALA 14 15.178 -4.705 0.037 88 HB3 ALA 14 HB3 ALA 14 14.668 -3.141 0.675 89 H LEU 15 HN LEU 15 16.258 -0.961 0.497 90 HA LEU 15 HA LEU 15 16.304 -0.793 -2.402 91 HB2 LEU 15 HB2 LEU 15 14.589 0.505 -1.466 92 HB3 LEU 15 HB1 LEU 15 15.628 1.116 -0.180 93 HG LEU 15 HG LEU 15 16.839 1.859 -2.632 94 HD11 LEU 15 HD11 LEU 15 13.920 1.802 -2.753 95 HD12 LEU 15 HD12 LEU 15 15.093 2.022 -4.052 96 HD13 LEU 15 HD13 LEU 15 14.593 3.400 -3.069 97 HD21 LEU 15 HD21 LEU 15 17.210 3.476 -1.100 98 HD22 LEU 15 HD22 LEU 15 15.748 3.071 -0.200 99 HD23 LEU 15 HD23 LEU 15 15.653 4.129 -1.608 100 H PHE 16 HN PHE 16 17.806 1.264 0.090 101 HA PHE 16 HA PHE 16 19.898 2.071 -1.718 102 HB2 PHE 16 HB2 PHE 16 19.213 3.715 -0.158 103 HB3 PHE 16 HB1 PHE 16 19.341 2.594 1.197 104 HD1 PHE 16 HD1 PHE 16 21.272 4.559 -1.283 105 HD2 PHE 16 HD2 PHE 16 21.440 2.126 2.252 106 HE1 PHE 16 HE1 PHE 16 23.634 5.236 -0.934 107 HE2 PHE 16 HE2 PHE 16 23.805 2.806 2.606 108 HZ PHE 16 HZ PHE 16 24.900 4.359 1.011 109 H DAL 17 HN DAL 17 19.556 -0.256 0.877 110 HA DAL 17 HA DAL 17 21.022 -1.759 1.804 111 HB1 DAL 17 HB2 DAL 17 23.199 -0.176 0.462 112 HB2 DAL 17 HB3 DAL 17 22.527 0.204 2.037 113 H ALA 18 HN ALA 18 19.936 -1.723 -1.078 114 HA ALA 18 HA ALA 18 20.944 -4.271 -1.823 115 HB1 ALA 18 HB1 ALA 18 19.735 -3.271 -4.094 116 HB2 ALA 18 HB2 ALA 18 18.939 -2.374 -2.802 117 HB3 ALA 18 HB3 ALA 18 18.911 -4.136 -2.796 118 H LYS 19 HN LYS 19 21.550 -0.991 -3.050 119 HA LYS 19 HA LYS 19 23.589 -2.073 -4.870 120 HB2 LYS 19 HB2 LYS 19 23.537 0.171 -5.908 121 HB3 LYS 19 HB1 LYS 19 21.949 -0.596 -5.911 122 HG2 LYS 19 HG2 LYS 19 22.461 0.958 -3.482 123 HG3 LYS 19 HG1 LYS 19 22.495 1.940 -4.947 124 HD2 LYS 19 HD2 LYS 19 20.304 0.773 -5.593 125 HD3 LYS 19 HD1 LYS 19 20.250 0.195 -3.927 126 HE2 LYS 19 HE2 LYS 19 19.031 2.186 -3.785 127 HE3 LYS 19 HE1 LYS 19 20.649 2.712 -3.319 128 HZ1 LYS 19 HZ1 LYS 19 19.209 3.147 -5.843 129 HZ2 LYS 19 HZ2 LYS 19 20.906 3.092 -5.858 130 HZ3 LYS 19 HZ3 LYS 19 20.099 4.248 -4.909 131 H PHE 20 HN PHE 20 23.088 0.022 -2.134 132 HA PHE 20 HA PHE 20 25.965 0.620 -1.988 133 HB2 PHE 20 HB2 PHE 20 23.609 1.912 -0.603 134 HB3 PHE 20 HB1 PHE 20 25.296 2.316 -0.289 135 HD1 PHE 20 HD1 PHE 20 22.529 2.552 -2.676 136 HD2 PHE 20 HD2 PHE 20 26.690 3.384 -2.019 137 HE1 PHE 20 HE1 PHE 20 22.534 4.068 -4.637 138 HE2 PHE 20 HE2 PHE 20 26.696 4.902 -3.979 139 HZ PHE 20 HZ PHE 20 24.618 5.245 -5.288 140 H CYS 21 HN CYS 21 26.488 0.954 0.525 141 HA CYS 21 HA CYS 21 27.110 -0.183 2.441 142 HB2 CYS 21 HB2 CYS 21 25.310 -0.940 3.790 143 HB3 CYS 21 HB1 CYS 21 24.619 0.343 2.799 Start of MODEL 20 1 H1 ABA 1 HT1 ABU 1 5.929 -5.662 -4.057 2 H2 ABA 1 HT2 ABU 1 7.263 -4.658 -3.744 3 H3 ABA 1 HT3 ABU 1 6.592 -4.724 -5.304 4 HA ABA 1 HA ABU 1 4.543 -3.736 -4.500 5 HB2 ABA 1 HB2 ABU 1 5.051 -2.687 -2.054 6 HG1 ABA 1 HG1 ABU 1 4.007 -5.283 -1.557 7 HG3 ABA 1 HG3 ABU 1 3.104 -3.784 -1.778 8 HG2 ABA 1 HG2 ABU 1 3.463 -4.812 -3.167 9 H DBU 2 HN DHB 2 4.611 -1.291 -3.432 10 HB DBU 2 HB DHB 2 6.510 1.740 -5.391 11 HG1 DBU 2 HG1 DHB 2 6.207 0.616 -7.496 12 HG2 DBU 2 HG2 DHB 2 4.568 0.493 -6.858 13 HG3 DBU 2 HG3 DHB 2 5.680 -0.867 -6.701 14 HA PRO 3 HA PRO 3 7.398 2.912 -1.369 15 HB2 PRO 3 HB2 PRO 3 4.603 3.459 -0.490 16 HB3 PRO 3 HB1 PRO 3 5.930 4.594 -0.813 17 HG2 PRO 3 HG2 PRO 3 3.895 4.311 -2.508 18 HG3 PRO 3 HG1 PRO 3 5.548 4.606 -3.076 19 HD2 PRO 3 HD2 PRO 3 3.968 2.066 -3.117 20 HD3 PRO 3 HD1 PRO 3 5.190 2.656 -4.268 21 H ALA 4 HN ALA 4 4.634 0.770 -0.724 22 HA ALA 4 HA ALA 4 5.163 0.475 2.069 23 HB1 ALA 4 HB1 ALA 4 2.975 -0.010 0.797 24 HB2 ALA 4 HB2 ALA 4 3.446 -1.140 2.065 25 HB3 ALA 4 HB3 ALA 4 3.718 -1.551 0.372 26 H CYS 5 HN CYS 5 6.294 -1.104 -0.831 27 HA CYS 5 HA CYS 5 7.477 -3.335 0.577 28 HB2 CYS 5 HB2 CYS 5 7.356 -2.423 -2.264 29 HB3 CYS 5 HB1 CYS 5 8.645 -3.534 -1.789 30 H PHE 6 HN PHE 6 8.500 -0.200 -0.646 31 HA PHE 6 HA PHE 6 11.278 -0.556 -0.543 32 HB2 PHE 6 HB2 PHE 6 10.704 1.457 -1.524 33 HB3 PHE 6 HB1 PHE 6 9.442 1.797 -0.342 34 HD1 PHE 6 HD1 PHE 6 12.836 0.699 0.624 35 HD2 PHE 6 HD2 PHE 6 10.198 4.054 0.176 36 HE1 PHE 6 HE1 PHE 6 14.396 2.089 1.951 37 HE2 PHE 6 HE2 PHE 6 11.764 5.456 1.495 38 HZ PHE 6 HZ PHE 6 13.862 4.476 2.381 39 H DBU 7 HN DHB 7 9.058 0.651 2.010 40 HB DBU 7 HB DHB 7 10.160 -0.430 5.725 41 HG1 DBU 7 HG1 DHB 7 9.482 -2.266 3.427 42 HG2 DBU 7 HG2 DHB 7 8.113 -1.759 4.416 43 HG3 DBU 7 HG3 DHB 7 9.450 -2.645 5.149 44 H ILE 8 HN ILE 8 9.301 2.254 5.156 45 HA ILE 8 HA ILE 8 11.113 4.303 4.418 46 HB ILE 8 HB ILE 8 9.264 4.021 6.789 47 HG12 ILE 8 HG12 ILE 8 8.220 4.164 4.534 48 HG13 ILE 8 HG11 ILE 8 7.882 5.599 5.505 49 HG21 ILE 8 HG21 ILE 8 10.220 5.849 7.684 50 HG22 ILE 8 HG22 ILE 8 9.935 6.736 6.187 51 HG23 ILE 8 HG23 ILE 8 11.435 5.836 6.407 52 HD11 ILE 8 HD11 ILE 8 9.653 5.300 3.115 53 HD12 ILE 8 HD12 ILE 8 10.124 6.465 4.353 54 HD13 ILE 8 HD13 ILE 8 8.563 6.619 3.546 55 H GLY 9 HN GLY 9 11.015 2.147 7.251 56 HA2 GLY 9 HA2 GLY 9 13.380 3.331 8.418 57 HA3 GLY 9 HA1 GLY 9 12.527 1.908 9.002 58 H LEU 10 HN LEU 10 13.250 -0.096 8.463 59 HA LEU 10 HA LEU 10 15.915 -0.414 7.629 60 HB2 LEU 10 HB2 LEU 10 15.643 -2.630 8.110 61 HB3 LEU 10 HB1 LEU 10 14.229 -2.005 8.949 62 HG LEU 10 HG LEU 10 13.519 -3.907 7.672 63 HD11 LEU 10 HD11 LEU 10 11.649 -2.816 7.112 64 HD12 LEU 10 HD12 LEU 10 12.435 -2.174 5.669 65 HD13 LEU 10 HD13 LEU 10 12.524 -1.288 7.192 66 HD21 LEU 10 HD21 LEU 10 14.132 -2.884 4.994 67 HD22 LEU 10 HD22 LEU 10 14.369 -4.498 5.663 68 HD23 LEU 10 HD23 LEU 10 15.575 -3.242 5.942 69 H GLY 11 HN GLY 11 12.958 -0.240 5.855 70 HA2 GLY 11 HA2 GLY 11 13.423 -1.568 3.523 71 HA3 GLY 11 HA1 GLY 11 12.605 -0.015 3.607 72 H VAL 12 HN VAL 12 15.112 1.224 4.723 73 HA VAL 12 HA VAL 12 16.169 2.205 2.300 74 HB VAL 12 HB VAL 12 16.278 3.366 4.531 75 HG11 VAL 12 HG11 VAL 12 17.818 2.691 6.182 76 HG12 VAL 12 HG12 VAL 12 18.707 1.656 5.060 77 HG13 VAL 12 HG13 VAL 12 17.112 1.168 5.640 78 HG21 VAL 12 HG21 VAL 12 17.630 4.268 2.776 79 HG22 VAL 12 HG22 VAL 12 18.785 2.939 2.889 80 HG23 VAL 12 HG23 VAL 12 18.693 4.139 4.177 81 H GLY 13 HN GLY 13 17.275 -0.293 4.548 82 HA2 GLY 13 HA2 GLY 13 19.759 -0.819 3.313 83 HA3 GLY 13 HA1 GLY 13 18.885 -1.924 4.364 84 H ALA 14 HN ALA 14 16.594 -2.436 2.977 85 HA ALA 14 HA ALA 14 17.507 -4.263 0.986 86 HB1 ALA 14 HB1 ALA 14 14.631 -3.511 1.079 87 HB2 ALA 14 HB2 ALA 14 15.320 -4.213 2.543 88 HB3 ALA 14 HB3 ALA 14 15.378 -5.108 1.024 89 H LEU 15 HN LEU 15 15.858 -1.158 0.921 90 HA LEU 15 HA LEU 15 15.429 -1.066 -1.886 91 HB2 LEU 15 HB2 LEU 15 14.349 0.285 0.055 92 HB3 LEU 15 HB1 LEU 15 15.728 1.360 -0.144 93 HG LEU 15 HG LEU 15 14.068 2.273 -1.545 94 HD11 LEU 15 HD11 LEU 15 16.275 1.964 -2.650 95 HD12 LEU 15 HD12 LEU 15 14.938 1.953 -3.802 96 HD13 LEU 15 HD13 LEU 15 15.697 0.437 -3.316 97 HD21 LEU 15 HD21 LEU 15 12.969 -0.258 -1.485 98 HD22 LEU 15 HD22 LEU 15 13.484 -0.111 -3.166 99 HD23 LEU 15 HD23 LEU 15 12.376 1.075 -2.476 100 H PHE 16 HN PHE 16 17.591 1.000 0.051 101 HA PHE 16 HA PHE 16 19.285 1.347 -2.319 102 HB2 PHE 16 HB2 PHE 16 19.833 2.764 0.245 103 HB3 PHE 16 HB1 PHE 16 19.981 3.344 -1.414 104 HD1 PHE 16 HD1 PHE 16 17.657 2.677 1.365 105 HD2 PHE 16 HD2 PHE 16 18.066 4.257 -2.606 106 HE1 PHE 16 HE1 PHE 16 15.409 3.711 1.546 107 HE2 PHE 16 HE2 PHE 16 15.817 5.290 -2.428 108 HZ PHE 16 HZ PHE 16 14.488 5.017 -0.351 109 H DAL 17 HN DAL 17 19.328 -0.058 0.888 110 HA DAL 17 HA DAL 17 20.896 -1.320 1.990 111 HB1 DAL 17 HB2 DAL 17 22.866 0.234 0.310 112 HB2 DAL 17 HB3 DAL 17 22.224 0.759 1.858 113 H ALA 18 HN ALA 18 19.663 -2.145 -0.537 114 HA ALA 18 HA ALA 18 21.102 -4.567 -0.936 115 HB1 ALA 18 HB1 ALA 18 18.650 -4.374 -1.150 116 HB2 ALA 18 HB2 ALA 18 19.389 -5.067 -2.594 117 HB3 ALA 18 HB3 ALA 18 18.868 -3.382 -2.592 118 H LYS 19 HN LYS 19 20.850 -1.580 -2.835 119 HA LYS 19 HA LYS 19 22.659 -2.726 -4.861 120 HB2 LYS 19 HB2 LYS 19 21.943 -0.180 -5.714 121 HB3 LYS 19 HB1 LYS 19 21.218 -1.694 -6.253 122 HG2 LYS 19 HG2 LYS 19 19.640 -1.518 -4.267 123 HG3 LYS 19 HG1 LYS 19 20.253 0.112 -4.018 124 HD2 LYS 19 HD2 LYS 19 18.263 0.324 -5.338 125 HD3 LYS 19 HD1 LYS 19 19.621 0.598 -6.432 126 HE2 LYS 19 HE2 LYS 19 19.464 -1.628 -7.320 127 HE3 LYS 19 HE1 LYS 19 18.310 -2.107 -6.074 128 HZ1 LYS 19 HZ1 LYS 19 17.674 0.159 -7.835 129 HZ2 LYS 19 HZ2 LYS 19 16.625 -0.917 -7.043 130 HZ3 LYS 19 HZ3 LYS 19 17.480 -1.420 -8.421 131 H PHE 20 HN PHE 20 22.508 -0.682 -2.206 132 HA PHE 20 HA PHE 20 25.201 0.387 -2.763 133 HB2 PHE 20 HB2 PHE 20 23.039 1.810 -1.192 134 HB3 PHE 20 HB1 PHE 20 24.612 2.449 -1.674 135 HD1 PHE 20 HD1 PHE 20 21.644 0.793 -3.232 136 HD2 PHE 20 HD2 PHE 20 24.672 3.814 -3.566 137 HE1 PHE 20 HE1 PHE 20 20.664 1.527 -5.383 138 HE2 PHE 20 HE2 PHE 20 23.695 4.557 -5.724 139 HZ PHE 20 HZ PHE 20 21.690 3.412 -6.634 140 H CYS 21 HN CYS 21 26.078 1.218 -0.538 141 HA CYS 21 HA CYS 21 26.996 0.546 1.466 142 HB2 CYS 21 HB2 CYS 21 25.453 0.230 3.214 143 HB3 CYS 21 HB1 CYS 21 24.555 1.192 2.042
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