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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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651667 |
7jvf ![]() ![]() |
30713 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 9.615 9.936 -8.256 2 H2 ALA 1 HT2 ALA 1 10.209 8.625 -7.350 3 H3 ALA 1 HT3 ALA 1 8.535 8.884 -7.479 4 HA ALA 1 HA ALA 1 8.611 7.365 -9.097 5 HB1 ALA 1 HB1 ALA 1 8.228 8.656 -10.898 6 HB2 ALA 1 HB2 ALA 1 9.968 8.849 -11.123 7 HB3 ALA 1 HB3 ALA 1 9.075 9.995 -10.123 8 H GLY 2 HN GLY 2 11.674 8.793 -8.300 9 HA2 GLY 2 HA2 GLY 2 13.382 7.189 -9.882 10 HA3 GLY 2 HA1 GLY 2 13.835 8.003 -8.388 11 H GLY 3 HN GLY 3 11.905 6.706 -6.713 12 HA2 GLY 3 HA2 GLY 3 11.403 4.636 -5.722 13 HA3 GLY 3 HA1 GLY 3 12.463 3.846 -6.885 14 H DBU 4 HN DHB 4 14.109 6.477 -5.739 15 HB DBU 4 HB DHB 4 17.316 5.509 -3.472 16 HG1 DBU 4 HG1 DHB 4 17.977 3.892 -5.144 17 HG2 DBU 4 HG2 DHB 4 17.492 5.187 -6.240 18 HG3 DBU 4 HG3 DHB 4 16.357 3.899 -5.840 19 H ILE 5 HN ILE 5 14.541 4.913 -1.999 20 HA ILE 5 HA ILE 5 14.999 6.610 -0.048 21 HB ILE 5 HB ILE 5 13.206 7.960 -1.971 22 HG12 ILE 5 HG12 ILE 5 15.666 8.508 -1.197 23 HG13 ILE 5 HG11 ILE 5 14.516 9.814 -1.454 24 HG21 ILE 5 HG21 ILE 5 12.251 9.326 -0.039 25 HG22 ILE 5 HG22 ILE 5 12.841 8.057 1.037 26 HG23 ILE 5 HG23 ILE 5 11.621 7.686 -0.182 27 HD11 ILE 5 HD11 ILE 5 14.736 8.564 1.271 28 HD12 ILE 5 HD12 ILE 5 14.232 10.195 0.834 29 HD13 ILE 5 HD13 ILE 5 15.937 9.751 0.763 30 HA PRO 6 HA PRO 6 10.429 4.997 0.545 31 HB2 PRO 6 HB2 PRO 6 10.290 3.073 -1.705 32 HB3 PRO 6 HB1 PRO 6 9.073 4.230 -1.133 33 HG2 PRO 6 HG2 PRO 6 10.397 4.614 -3.411 34 HG3 PRO 6 HG1 PRO 6 9.956 5.965 -2.350 35 HD2 PRO 6 HD2 PRO 6 12.629 4.638 -2.685 36 HD3 PRO 6 HD1 PRO 6 12.244 6.351 -2.478 37 H DAL 7 HN DAL 7 13.375 3.657 0.084 38 HA DAL 7 HA DAL 7 12.825 0.935 0.887 39 HB1 DAL 7 HB2 DAL 7 14.603 2.066 2.854 40 HB2 DAL 7 HB3 DAL 7 13.136 1.124 3.095 41 H LEU 8 HN LEU 8 14.553 3.044 -0.826 42 HA LEU 8 HA LEU 8 16.655 1.236 -1.412 43 HB2 LEU 8 HB2 LEU 8 16.067 4.112 -2.099 44 HB3 LEU 8 HB1 LEU 8 17.594 3.364 -2.568 45 HG LEU 8 HG LEU 8 15.615 3.245 -4.247 46 HD11 LEU 8 HD11 LEU 8 16.825 1.603 -5.200 47 HD12 LEU 8 HD12 LEU 8 16.485 0.486 -3.877 48 HD13 LEU 8 HD13 LEU 8 17.812 1.640 -3.740 49 HD21 LEU 8 HD21 LEU 8 14.128 1.299 -3.887 50 HD22 LEU 8 HD22 LEU 8 13.912 2.511 -2.623 51 HD23 LEU 8 HD23 LEU 8 14.847 1.053 -2.296 52 H MET 9 HN MET 9 16.346 4.094 0.610 53 HA MET 9 HA MET 9 19.055 4.443 1.324 54 HB2 MET 9 HB2 MET 9 16.638 5.049 3.034 55 HB3 MET 9 HB1 MET 9 18.199 5.863 3.065 56 HG2 MET 9 HG2 MET 9 17.213 5.943 0.386 57 HG3 MET 9 HG1 MET 9 15.927 6.469 1.473 58 HE1 MET 9 HE1 MET 9 16.566 7.500 3.569 59 HE2 MET 9 HE2 MET 9 16.663 9.226 3.236 60 HE3 MET 9 HE3 MET 9 18.057 8.388 3.914 61 H DBB 10 HN DBB 10 16.424 2.566 2.828 62 HA DBB 10 HA DBB 10 18.454 1.245 4.533 63 HB2 DBB 10 HB2 DBB 10 17.339 -0.062 2.612 64 HG1 DBB 10 HG1 DBB 10 15.171 -1.151 3.665 65 HG2 DBB 10 HG2 DBB 10 15.088 0.297 2.692 66 HG3 DBB 10 HG3 DBB 10 15.047 0.415 4.439 67 H GLY 11 HN GLY 11 15.251 2.600 4.320 68 HA2 GLY 11 HA2 GLY 11 14.493 1.789 6.980 69 HA3 GLY 11 HA1 GLY 11 14.970 3.472 6.838 70 H CYS 12 HN CYS 12 12.759 1.048 5.466 71 HA CYS 12 HA CYS 12 10.560 2.925 5.481 72 HB2 CYS 12 HB2 CYS 12 11.023 1.796 2.797 73 HB3 CYS 12 HB1 CYS 12 10.300 3.334 3.246 74 H GLY 13 HN GLY 13 9.105 1.629 3.438 75 HA2 GLY 13 HA2 GLY 13 8.796 -1.133 4.426 76 HA3 GLY 13 HA1 GLY 13 7.405 -0.067 4.292 77 H TRP 14 HN TRP 14 9.833 0.392 1.958 78 HA TRP 14 HA TRP 14 8.360 0.211 -0.289 79 HB2 TRP 14 HB2 TRP 14 10.459 -0.396 -1.482 80 HB3 TRP 14 HB1 TRP 14 10.665 0.924 -0.359 81 HD1 TRP 14 HD1 TRP 14 10.465 -1.607 2.011 82 HE1 TRP 14 HE1 TRP 14 12.728 -2.693 2.587 83 HE3 TRP 14 HE3 TRP 14 13.220 -0.099 -2.016 84 HZ2 TRP 14 HZ2 TRP 14 15.357 -2.903 1.486 85 HZ3 TRP 14 HZ3 TRP 14 15.599 -0.764 -2.229 86 HH2 TRP 14 HH2 TRP 14 16.670 -2.161 -0.485 87 H LEU 15 HN LEU 15 10.541 -2.338 -0.727 88 HA LEU 15 HA LEU 15 8.321 -4.230 -0.991 89 HB2 LEU 15 HB2 LEU 15 10.311 -5.476 -2.246 90 HB3 LEU 15 HB1 LEU 15 9.365 -4.218 -3.043 91 HG LEU 15 HG LEU 15 11.851 -3.537 -1.472 92 HD11 LEU 15 HD11 LEU 15 13.096 -4.625 -2.995 93 HD12 LEU 15 HD12 LEU 15 12.493 -3.490 -4.203 94 HD13 LEU 15 HD13 LEU 15 11.669 -5.030 -3.951 95 HD21 LEU 15 HD21 LEU 15 9.942 -1.921 -2.543 96 HD22 LEU 15 HD22 LEU 15 11.010 -2.088 -3.935 97 HD23 LEU 15 HD23 LEU 15 11.639 -1.447 -2.417 98 H DBU 16 HN DHB 16 11.351 -3.643 0.661 99 HB DBU 16 HB DHB 16 13.062 -6.526 2.799 100 HG1 DBU 16 HG1 DHB 16 13.652 -5.335 0.102 101 HG2 DBU 16 HG2 DHB 16 13.166 -7.030 0.062 102 HG3 DBU 16 HG3 DHB 16 14.593 -6.545 0.976 103 H GLY 17 HN GLY 17 11.306 -3.162 3.308 104 HA2 GLY 17 HA2 GLY 17 9.362 -2.820 4.794 105 HA3 GLY 17 HA1 GLY 17 9.544 -4.500 5.277 106 H LEU 18 HN LEU 18 11.946 -4.961 6.011 107 HA LEU 18 HA LEU 18 12.622 -2.875 7.996 108 HB2 LEU 18 HB2 LEU 18 12.962 -5.878 8.080 109 HB3 LEU 18 HB1 LEU 18 13.657 -4.779 9.272 110 HG LEU 18 HG LEU 18 10.706 -4.854 8.600 111 HD11 LEU 18 HD11 LEU 18 11.978 -6.928 9.766 112 HD12 LEU 18 HD12 LEU 18 10.349 -6.434 10.227 113 HD13 LEU 18 HD13 LEU 18 11.732 -5.909 11.186 114 HD21 LEU 18 HD21 LEU 18 10.616 -3.701 10.866 115 HD22 LEU 18 HD22 LEU 18 11.361 -2.755 9.578 116 HD23 LEU 18 HD23 LEU 18 12.373 -3.563 10.776 117 H CYS 19 HN CYS 19 13.588 -2.866 5.275 118 HA CYS 19 HA CYS 19 15.542 -2.864 4.036 119 HB2 CYS 19 HB2 CYS 19 15.730 -0.934 5.704 120 HB3 CYS 19 HB1 CYS 19 16.789 -1.980 6.641 121 H VAL 20 HN VAL 20 15.729 -5.102 3.709 122 HA VAL 20 HA VAL 20 17.681 -6.472 5.452 123 HB VAL 20 HB VAL 20 16.772 -8.563 4.371 124 HG11 VAL 20 HG11 VAL 20 14.631 -6.920 5.740 125 HG12 VAL 20 HG12 VAL 20 16.025 -7.567 6.605 126 HG13 VAL 20 HG13 VAL 20 14.881 -8.664 5.831 127 HG21 VAL 20 HG21 VAL 20 15.818 -7.587 2.354 128 HG22 VAL 20 HG22 VAL 20 14.757 -6.553 3.311 129 HG23 VAL 20 HG23 VAL 20 14.513 -8.301 3.300 130 H ARG 21 HN ARG 21 17.475 -4.808 2.613 131 HA ARG 21 HA ARG 21 18.982 -6.453 0.839 132 HB2 ARG 21 HB2 ARG 21 17.597 -4.534 0.080 133 HB3 ARG 21 HB1 ARG 21 18.734 -3.430 0.858 134 HG2 ARG 21 HG2 ARG 21 20.560 -4.342 -0.549 135 HG3 ARG 21 HG1 ARG 21 19.399 -5.400 -1.351 136 HD2 ARG 21 HD2 ARG 21 19.709 -3.436 -2.734 137 HD3 ARG 21 HD1 ARG 21 18.099 -3.362 -2.021 138 HE ARG 21 HE ARG 21 19.944 -2.001 -0.351 139 HH11 ARG 21 HH11 ARG 21 18.331 -1.793 -3.405 140 HH12 ARG 21 HH12 ARG 21 18.326 -0.062 -3.441 141 HH21 ARG 21 HH21 ARG 21 19.942 0.267 -0.390 142 HH22 ARG 21 HH22 ARG 21 19.237 1.106 -1.731 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 7.137 9.587 -8.391 2 H2 ALA 1 HT2 ALA 1 8.176 9.836 -7.070 3 H3 ALA 1 HT3 ALA 1 6.602 9.249 -6.817 4 HA ALA 1 HA ALA 1 7.857 7.340 -6.629 5 HB1 ALA 1 HB1 ALA 1 7.320 6.032 -8.585 6 HB2 ALA 1 HB2 ALA 1 7.255 7.477 -9.595 7 HB3 ALA 1 HB3 ALA 1 6.023 7.207 -8.363 8 H GLY 2 HN GLY 2 9.947 8.668 -6.305 9 HA2 GLY 2 HA2 GLY 2 11.802 9.003 -8.411 10 HA3 GLY 2 HA1 GLY 2 12.202 8.915 -6.699 11 H GLY 3 HN GLY 3 11.142 6.304 -6.223 12 HA2 GLY 3 HA2 GLY 3 11.502 4.029 -6.746 13 HA3 GLY 3 HA1 GLY 3 12.621 4.520 -8.015 14 H DBU 4 HN DHB 4 13.411 6.390 -5.444 15 HB DBU 4 HB DHB 4 16.840 4.814 -3.683 16 HG1 DBU 4 HG1 DHB 4 15.940 4.042 -6.502 17 HG2 DBU 4 HG2 DHB 4 16.345 2.780 -5.340 18 HG3 DBU 4 HG3 DHB 4 17.575 3.933 -5.853 19 H ILE 5 HN ILE 5 14.310 4.761 -2.082 20 HA ILE 5 HA ILE 5 14.980 6.536 -0.287 21 HB ILE 5 HB ILE 5 13.115 7.911 -2.144 22 HG12 ILE 5 HG12 ILE 5 15.722 8.252 -1.540 23 HG13 ILE 5 HG11 ILE 5 14.685 9.588 -2.025 24 HG21 ILE 5 HG21 ILE 5 11.748 7.841 -0.143 25 HG22 ILE 5 HG22 ILE 5 12.452 9.454 -0.256 26 HG23 ILE 5 HG23 ILE 5 13.130 8.272 0.867 27 HD11 ILE 5 HD11 ILE 5 14.463 10.382 0.174 28 HD12 ILE 5 HD12 ILE 5 16.143 9.845 0.127 29 HD13 ILE 5 HD13 ILE 5 14.913 8.830 0.880 30 HA PRO 6 HA PRO 6 10.354 5.237 0.684 31 HB2 PRO 6 HB2 PRO 6 10.029 3.139 -1.382 32 HB3 PRO 6 HB1 PRO 6 8.882 4.380 -0.844 33 HG2 PRO 6 HG2 PRO 6 10.094 4.533 -3.217 34 HG3 PRO 6 HG1 PRO 6 9.741 5.977 -2.254 35 HD2 PRO 6 HD2 PRO 6 12.361 4.573 -2.635 36 HD3 PRO 6 HD1 PRO 6 12.020 6.311 -2.511 37 H DAL 7 HN DAL 7 13.229 3.896 0.500 38 HA DAL 7 HA DAL 7 12.539 1.289 1.665 39 HB1 DAL 7 HB2 DAL 7 14.693 2.929 2.903 40 HB2 DAL 7 HB3 DAL 7 13.656 1.708 3.633 41 H LEU 8 HN LEU 8 14.317 3.098 -0.491 42 HA LEU 8 HA LEU 8 16.009 0.903 -1.220 43 HB2 LEU 8 HB2 LEU 8 15.863 3.775 -2.161 44 HB3 LEU 8 HB1 LEU 8 16.963 2.576 -2.841 45 HG LEU 8 HG LEU 8 14.813 2.826 -4.127 46 HD11 LEU 8 HD11 LEU 8 14.439 0.108 -3.325 47 HD12 LEU 8 HD12 LEU 8 16.162 0.475 -3.265 48 HD13 LEU 8 HD13 LEU 8 15.259 0.722 -4.760 49 HD21 LEU 8 HD21 LEU 8 13.426 3.176 -2.028 50 HD22 LEU 8 HD22 LEU 8 13.573 1.445 -1.736 51 HD23 LEU 8 HD23 LEU 8 12.752 2.029 -3.183 52 H MET 9 HN MET 9 16.322 3.969 0.433 53 HA MET 9 HA MET 9 19.133 4.034 0.709 54 HB2 MET 9 HB2 MET 9 17.392 5.190 2.836 55 HB3 MET 9 HB1 MET 9 18.771 5.905 2.009 56 HG2 MET 9 HG2 MET 9 17.215 5.810 -0.100 57 HG3 MET 9 HG1 MET 9 15.923 5.709 1.098 58 HE1 MET 9 HE1 MET 9 15.567 7.157 2.964 59 HE2 MET 9 HE2 MET 9 16.098 8.826 3.157 60 HE3 MET 9 HE3 MET 9 17.190 7.508 3.576 61 H DBB 10 HN DBB 10 16.556 2.735 2.782 62 HA DBB 10 HA DBB 10 18.645 1.367 4.369 63 HB2 DBB 10 HB2 DBB 10 17.514 -0.651 4.239 64 HG1 DBB 10 HG1 DBB 10 18.262 -0.314 2.050 65 HG2 DBB 10 HG2 DBB 10 17.018 0.890 1.718 66 HG3 DBB 10 HG3 DBB 10 16.581 -0.811 1.864 67 H GLY 11 HN GLY 11 15.215 2.350 4.442 68 HA2 GLY 11 HA2 GLY 11 14.981 2.147 7.270 69 HA3 GLY 11 HA1 GLY 11 15.291 3.807 6.780 70 H CYS 12 HN CYS 12 13.301 1.165 5.414 71 HA CYS 12 HA CYS 12 10.845 2.598 5.953 72 HB2 CYS 12 HB2 CYS 12 11.159 1.983 3.075 73 HB3 CYS 12 HB1 CYS 12 10.273 3.288 3.844 74 H GLY 13 HN GLY 13 9.390 1.393 3.881 75 HA2 GLY 13 HA2 GLY 13 9.579 -1.480 4.536 76 HA3 GLY 13 HA1 GLY 13 8.035 -0.633 4.462 77 H TRP 14 HN TRP 14 10.249 0.596 2.288 78 HA TRP 14 HA TRP 14 9.155 0.605 -0.029 79 HB2 TRP 14 HB2 TRP 14 11.271 -0.126 -1.151 80 HB3 TRP 14 HB1 TRP 14 11.509 1.053 0.127 81 HD1 TRP 14 HD1 TRP 14 10.910 -1.631 2.227 82 HE1 TRP 14 HE1 TRP 14 12.999 -3.006 2.834 83 HE3 TRP 14 HE3 TRP 14 14.071 -0.117 -1.475 84 HZ2 TRP 14 HZ2 TRP 14 15.664 -3.414 1.866 85 HZ3 TRP 14 HZ3 TRP 14 16.369 -1.013 -1.618 86 HH2 TRP 14 HH2 TRP 14 17.172 -2.651 0.046 87 H LEU 15 HN LEU 15 11.060 -2.211 -0.492 88 HA LEU 15 HA LEU 15 8.634 -3.723 -1.174 89 HB2 LEU 15 HB2 LEU 15 10.493 -5.122 -2.420 90 HB3 LEU 15 HB1 LEU 15 9.880 -3.626 -3.128 91 HG LEU 15 HG LEU 15 12.266 -3.627 -1.281 92 HD11 LEU 15 HD11 LEU 15 13.310 -4.875 -2.867 93 HD12 LEU 15 HD12 LEU 15 13.333 -3.368 -3.781 94 HD13 LEU 15 HD13 LEU 15 12.064 -4.557 -4.074 95 HD21 LEU 15 HD21 LEU 15 10.744 -1.596 -2.396 96 HD22 LEU 15 HD22 LEU 15 12.097 -1.729 -3.519 97 HD23 LEU 15 HD23 LEU 15 12.399 -1.423 -1.808 98 H DBU 16 HN DHB 16 11.528 -3.677 0.763 99 HB DBU 16 HB DHB 16 12.834 -6.803 2.759 100 HG1 DBU 16 HG1 DHB 16 13.027 -6.281 -0.209 101 HG2 DBU 16 HG2 DHB 16 13.995 -7.389 0.763 102 HG3 DBU 16 HG3 DHB 16 14.349 -5.662 0.782 103 H GLY 17 HN GLY 17 10.690 -3.261 3.030 104 HA2 GLY 17 HA2 GLY 17 8.702 -3.099 4.434 105 HA3 GLY 17 HA1 GLY 17 9.040 -4.734 4.999 106 H LEU 18 HN LEU 18 11.551 -4.800 5.749 107 HA LEU 18 HA LEU 18 11.750 -2.713 7.826 108 HB2 LEU 18 HB2 LEU 18 12.842 -5.535 7.728 109 HB3 LEU 18 HB1 LEU 18 13.191 -4.376 9.014 110 HG LEU 18 HG LEU 18 10.385 -5.182 8.208 111 HD11 LEU 18 HD11 LEU 18 10.767 -6.256 10.680 112 HD12 LEU 18 HD12 LEU 18 12.375 -6.469 9.986 113 HD13 LEU 18 HD13 LEU 18 10.967 -7.163 9.181 114 HD21 LEU 18 HD21 LEU 18 11.387 -3.050 9.737 115 HD22 LEU 18 HD22 LEU 18 10.828 -4.232 10.921 116 HD23 LEU 18 HD23 LEU 18 9.718 -3.618 9.695 117 H CYS 19 HN CYS 19 12.879 -3.289 4.866 118 HA CYS 19 HA CYS 19 14.635 -2.378 3.692 119 HB2 CYS 19 HB2 CYS 19 14.764 -1.012 6.220 120 HB3 CYS 19 HB1 CYS 19 16.396 -1.383 5.662 121 H VAL 20 HN VAL 20 14.746 -4.908 3.846 122 HA VAL 20 HA VAL 20 16.797 -6.158 5.316 123 HB VAL 20 HB VAL 20 15.628 -6.911 2.628 124 HG11 VAL 20 HG11 VAL 20 16.530 -9.020 4.460 125 HG12 VAL 20 HG12 VAL 20 17.838 -7.982 3.891 126 HG13 VAL 20 HG13 VAL 20 16.819 -8.832 2.730 127 HG21 VAL 20 HG21 VAL 20 14.814 -7.509 5.484 128 HG22 VAL 20 HG22 VAL 20 14.232 -8.444 4.106 129 HG23 VAL 20 HG23 VAL 20 13.849 -6.726 4.230 130 H ARG 21 HN ARG 21 16.757 -4.805 2.027 131 HA ARG 21 HA ARG 21 19.660 -5.213 1.822 132 HB2 ARG 21 HB2 ARG 21 18.233 -5.925 -0.073 133 HB3 ARG 21 HB1 ARG 21 17.687 -4.259 -0.266 134 HG2 ARG 21 HG2 ARG 21 20.006 -3.534 -0.673 135 HG3 ARG 21 HG1 ARG 21 20.565 -5.195 -0.466 136 HD2 ARG 21 HD2 ARG 21 20.337 -4.718 -2.846 137 HD3 ARG 21 HD1 ARG 21 19.112 -5.887 -2.364 138 HE ARG 21 HE ARG 21 18.345 -3.054 -2.396 139 HH11 ARG 21 HH11 ARG 21 18.279 -6.208 -3.828 140 HH12 ARG 21 HH12 ARG 21 16.908 -5.872 -4.830 141 HH21 ARG 21 HH21 ARG 21 16.550 -2.612 -3.709 142 HH22 ARG 21 HH22 ARG 21 15.930 -3.838 -4.764 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 9.862 2.586 -7.160 2 H2 ALA 1 HT2 ALA 1 9.650 1.065 -6.435 3 H3 ALA 1 HT3 ALA 1 8.937 1.399 -7.940 4 HA ALA 1 HA ALA 1 11.618 0.553 -7.315 5 HB1 ALA 1 HB1 ALA 1 9.640 0.411 -9.564 6 HB2 ALA 1 HB2 ALA 1 10.485 -0.896 -8.734 7 HB3 ALA 1 HB3 ALA 1 11.341 0.099 -9.911 8 H GLY 2 HN GLY 2 13.363 1.800 -7.508 9 HA2 GLY 2 HA2 GLY 2 14.869 3.277 -8.487 10 HA3 GLY 2 HA1 GLY 2 13.671 3.629 -9.729 11 H GLY 3 HN GLY 3 12.490 3.826 -6.538 12 HA2 GLY 3 HA2 GLY 3 12.140 6.697 -6.786 13 HA3 GLY 3 HA1 GLY 3 11.485 5.666 -5.517 14 H DBU 4 HN DHB 4 14.549 4.685 -5.564 15 HB DBU 4 HB DHB 4 17.642 5.842 -3.543 16 HG1 DBU 4 HG1 DHB 4 16.892 4.604 -6.242 17 HG2 DBU 4 HG2 DHB 4 17.821 3.695 -5.049 18 HG3 DBU 4 HG3 DHB 4 18.494 5.162 -5.757 19 H ILE 5 HN ILE 5 14.668 5.008 -2.011 20 HA ILE 5 HA ILE 5 15.008 6.764 -0.088 21 HB ILE 5 HB ILE 5 13.310 8.078 -2.145 22 HG12 ILE 5 HG12 ILE 5 15.755 8.612 -1.258 23 HG13 ILE 5 HG11 ILE 5 14.644 9.915 -1.664 24 HG21 ILE 5 HG21 ILE 5 12.816 8.199 0.835 25 HG22 ILE 5 HG22 ILE 5 11.643 7.911 -0.451 26 HG23 ILE 5 HG23 ILE 5 12.348 9.514 -0.245 27 HD11 ILE 5 HD11 ILE 5 15.869 10.091 0.595 28 HD12 ILE 5 HD12 ILE 5 14.810 8.786 1.133 29 HD13 ILE 5 HD13 ILE 5 14.121 10.325 0.618 30 HA PRO 6 HA PRO 6 10.375 5.129 0.179 31 HB2 PRO 6 HB2 PRO 6 10.640 2.975 -1.852 32 HB3 PRO 6 HB1 PRO 6 9.274 4.060 -1.530 33 HG2 PRO 6 HG2 PRO 6 10.814 4.371 -3.682 34 HG3 PRO 6 HG1 PRO 6 10.142 5.756 -2.806 35 HD2 PRO 6 HD2 PRO 6 12.941 4.703 -2.778 36 HD3 PRO 6 HD1 PRO 6 12.363 6.375 -2.694 37 H DAL 7 HN DAL 7 13.409 3.732 -0.031 38 HA DAL 7 HA DAL 7 12.721 1.243 1.338 39 HB1 DAL 7 HB2 DAL 7 14.823 2.852 2.674 40 HB2 DAL 7 HB3 DAL 7 13.668 1.715 3.357 41 H LEU 8 HN LEU 8 14.660 3.030 -0.753 42 HA LEU 8 HA LEU 8 16.405 0.764 -1.215 43 HB2 LEU 8 HB2 LEU 8 16.520 3.484 -2.536 44 HB3 LEU 8 HB1 LEU 8 17.119 1.950 -3.167 45 HG LEU 8 HG LEU 8 14.207 2.624 -2.648 46 HD11 LEU 8 HD11 LEU 8 13.990 3.129 -4.866 47 HD12 LEU 8 HD12 LEU 8 15.209 1.952 -5.359 48 HD13 LEU 8 HD13 LEU 8 15.703 3.520 -4.722 49 HD21 LEU 8 HD21 LEU 8 13.680 0.453 -3.134 50 HD22 LEU 8 HD22 LEU 8 15.311 0.150 -2.542 51 HD23 LEU 8 HD23 LEU 8 15.012 0.275 -4.273 52 H MET 9 HN MET 9 16.336 3.345 0.843 53 HA MET 9 HA MET 9 19.238 3.771 0.896 54 HB2 MET 9 HB2 MET 9 18.085 5.271 2.948 55 HB3 MET 9 HB1 MET 9 18.576 5.868 1.368 56 HG2 MET 9 HG2 MET 9 16.362 5.474 0.462 57 HG3 MET 9 HG1 MET 9 15.848 4.698 1.962 58 HE1 MET 9 HE1 MET 9 17.124 9.095 1.538 59 HE2 MET 9 HE2 MET 9 16.813 8.036 0.165 60 HE3 MET 9 HE3 MET 9 18.145 7.676 1.261 61 H DBB 10 HN DBB 10 16.574 2.638 2.955 62 HA DBB 10 HA DBB 10 18.592 1.537 4.818 63 HB2 DBB 10 HB2 DBB 10 17.556 -0.236 3.527 64 HG1 DBB 10 HG1 DBB 10 15.188 -0.606 3.476 65 HG2 DBB 10 HG2 DBB 10 15.537 1.041 2.963 66 HG3 DBB 10 HG3 DBB 10 14.917 0.738 4.581 67 H GLY 11 HN GLY 11 15.156 2.406 4.526 68 HA2 GLY 11 HA2 GLY 11 14.650 2.595 7.286 69 HA3 GLY 11 HA1 GLY 11 15.148 4.167 6.680 70 H CYS 12 HN CYS 12 13.026 1.515 5.580 71 HA CYS 12 HA CYS 12 10.709 3.259 5.545 72 HB2 CYS 12 HB2 CYS 12 11.301 2.018 2.908 73 HB3 CYS 12 HB1 CYS 12 10.383 3.472 3.275 74 H GLY 13 HN GLY 13 9.442 1.702 3.482 75 HA2 GLY 13 HA2 GLY 13 9.256 -0.985 4.675 76 HA3 GLY 13 HA1 GLY 13 7.799 -0.030 4.407 77 H TRP 14 HN TRP 14 9.901 0.866 2.105 78 HA TRP 14 HA TRP 14 8.849 0.497 -0.183 79 HB2 TRP 14 HB2 TRP 14 10.986 -0.262 -1.205 80 HB3 TRP 14 HB1 TRP 14 11.198 1.043 -0.052 81 HD1 TRP 14 HD1 TRP 14 10.645 -1.441 2.288 82 HE1 TRP 14 HE1 TRP 14 12.763 -2.692 3.037 83 HE3 TRP 14 HE3 TRP 14 13.779 -0.209 -1.536 84 HZ2 TRP 14 HZ2 TRP 14 15.434 -3.122 2.129 85 HZ3 TRP 14 HZ3 TRP 14 16.108 -1.058 -1.573 86 HH2 TRP 14 HH2 TRP 14 16.939 -2.511 0.256 87 H LEU 15 HN LEU 15 10.846 -2.150 -0.576 88 HA LEU 15 HA LEU 15 8.534 -3.922 -0.935 89 HB2 LEU 15 HB2 LEU 15 10.538 -5.228 -2.149 90 HB3 LEU 15 HB1 LEU 15 9.620 -3.957 -2.960 91 HG LEU 15 HG LEU 15 12.049 -3.270 -1.319 92 HD11 LEU 15 HD11 LEU 15 12.222 -3.753 -4.279 93 HD12 LEU 15 HD12 LEU 15 12.453 -5.087 -3.148 94 HD13 LEU 15 HD13 LEU 15 13.519 -3.684 -3.086 95 HD21 LEU 15 HD21 LEU 15 11.174 -1.934 -3.862 96 HD22 LEU 15 HD22 LEU 15 11.969 -1.234 -2.449 97 HD23 LEU 15 HD23 LEU 15 10.253 -1.635 -2.389 98 H DBU 16 HN DHB 16 11.568 -3.533 0.762 99 HB DBU 16 HB DHB 16 13.141 -6.446 2.925 100 HG1 DBU 16 HG1 DHB 16 14.651 -5.398 0.976 101 HG2 DBU 16 HG2 DHB 16 13.298 -5.846 -0.065 102 HG3 DBU 16 HG3 DHB 16 14.183 -7.091 0.816 103 H GLY 17 HN GLY 17 11.122 -3.087 3.321 104 HA2 GLY 17 HA2 GLY 17 9.154 -2.821 4.724 105 HA3 GLY 17 HA1 GLY 17 9.279 -4.529 5.131 106 H LEU 18 HN LEU 18 11.718 -4.989 5.956 107 HA LEU 18 HA LEU 18 11.995 -3.266 8.314 108 HB2 LEU 18 HB2 LEU 18 12.868 -6.062 7.645 109 HB3 LEU 18 HB1 LEU 18 13.608 -5.186 8.986 110 HG LEU 18 HG LEU 18 11.360 -4.787 9.949 111 HD11 LEU 18 HD11 LEU 18 10.548 -6.242 7.448 112 HD12 LEU 18 HD12 LEU 18 9.856 -4.784 8.158 113 HD13 LEU 18 HD13 LEU 18 9.544 -6.356 8.893 114 HD21 LEU 18 HD21 LEU 18 12.841 -7.032 10.138 115 HD22 LEU 18 HD22 LEU 18 11.369 -7.726 9.458 116 HD23 LEU 18 HD23 LEU 18 11.305 -6.842 10.983 117 H CYS 19 HN CYS 19 13.222 -3.243 5.306 118 HA CYS 19 HA CYS 19 15.051 -2.216 4.369 119 HB2 CYS 19 HB2 CYS 19 14.887 -0.427 5.933 120 HB3 CYS 19 HB1 CYS 19 15.470 -1.430 7.251 121 H VAL 20 HN VAL 20 15.425 -4.685 4.179 122 HA VAL 20 HA VAL 20 17.396 -5.948 5.762 123 HB VAL 20 HB VAL 20 17.643 -7.365 3.576 124 HG11 VAL 20 HG11 VAL 20 14.871 -7.279 4.755 125 HG12 VAL 20 HG12 VAL 20 16.246 -7.761 5.746 126 HG13 VAL 20 HG13 VAL 20 15.835 -8.685 4.301 127 HG21 VAL 20 HG21 VAL 20 15.048 -5.910 2.997 128 HG22 VAL 20 HG22 VAL 20 15.872 -7.092 1.979 129 HG23 VAL 20 HG23 VAL 20 16.572 -5.490 2.212 130 H ARG 21 HN ARG 21 17.599 -4.090 2.744 131 HA ARG 21 HA ARG 21 20.416 -4.484 2.413 132 HB2 ARG 21 HB2 ARG 21 18.477 -2.490 1.230 133 HB3 ARG 21 HB1 ARG 21 20.185 -2.550 0.797 134 HG2 ARG 21 HG2 ARG 21 19.934 -4.893 0.082 135 HG3 ARG 21 HG1 ARG 21 18.229 -4.853 0.533 136 HD2 ARG 21 HD2 ARG 21 17.819 -3.071 -1.110 137 HD3 ARG 21 HD1 ARG 21 19.524 -3.070 -1.548 138 HE ARG 21 HE ARG 21 19.191 -5.085 -2.710 139 HH11 ARG 21 HH11 ARG 21 16.410 -4.121 -0.890 140 HH12 ARG 21 HH12 ARG 21 15.345 -5.254 -1.655 141 HH21 ARG 21 HH21 ARG 21 17.799 -6.569 -3.721 142 HH22 ARG 21 HH22 ARG 21 16.131 -6.639 -3.258 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 7.171 3.872 -7.086 2 H2 ALA 1 HT2 ALA 1 7.316 2.349 -7.823 3 H3 ALA 1 HT3 ALA 1 8.154 3.685 -8.454 4 HA ALA 1 HA ALA 1 9.067 3.670 -5.940 5 HB1 ALA 1 HB1 ALA 1 9.723 1.090 -5.847 6 HB2 ALA 1 HB2 ALA 1 8.198 0.915 -6.715 7 HB3 ALA 1 HB3 ALA 1 8.224 1.675 -5.124 8 H GLY 2 HN GLY 2 11.377 2.745 -5.892 9 HA2 GLY 2 HA2 GLY 2 13.357 2.115 -7.030 10 HA3 GLY 2 HA1 GLY 2 12.536 2.391 -8.563 11 H GLY 3 HN GLY 3 11.675 4.962 -6.772 12 HA2 GLY 3 HA2 GLY 3 13.274 6.810 -8.196 13 HA3 GLY 3 HA1 GLY 3 12.262 7.187 -6.805 14 H DBU 4 HN DHB 4 13.532 5.436 -4.936 15 HB DBU 4 HB DHB 4 17.370 5.702 -3.581 16 HG1 DBU 4 HG1 DHB 4 17.992 5.332 -6.052 17 HG2 DBU 4 HG2 DHB 4 16.375 4.678 -6.310 18 HG3 DBU 4 HG3 DHB 4 17.524 3.812 -5.289 19 H ILE 5 HN ILE 5 14.516 5.090 -2.115 20 HA ILE 5 HA ILE 5 14.979 6.691 -0.084 21 HB ILE 5 HB ILE 5 13.243 8.188 -1.966 22 HG12 ILE 5 HG12 ILE 5 15.717 8.588 -1.078 23 HG13 ILE 5 HG11 ILE 5 14.634 9.942 -1.381 24 HG21 ILE 5 HG21 ILE 5 11.668 7.771 -0.139 25 HG22 ILE 5 HG22 ILE 5 12.214 9.448 -0.071 26 HG23 ILE 5 HG23 ILE 5 12.881 8.254 1.046 27 HD11 ILE 5 HD11 ILE 5 14.432 10.445 0.840 28 HD12 ILE 5 HD12 ILE 5 15.956 9.569 0.971 29 HD13 ILE 5 HD13 ILE 5 14.434 8.750 1.322 30 HA PRO 6 HA PRO 6 10.342 5.089 0.268 31 HB2 PRO 6 HB2 PRO 6 10.528 3.047 -1.884 32 HB3 PRO 6 HB1 PRO 6 9.175 4.107 -1.447 33 HG2 PRO 6 HG2 PRO 6 10.619 4.548 -3.635 34 HG3 PRO 6 HG1 PRO 6 10.002 5.883 -2.647 35 HD2 PRO 6 HD2 PRO 6 12.790 4.797 -2.795 36 HD3 PRO 6 HD1 PRO 6 12.235 6.466 -2.605 37 H DAL 7 HN DAL 7 13.373 3.758 -0.032 38 HA DAL 7 HA DAL 7 12.732 1.188 1.210 39 HB1 DAL 7 HB2 DAL 7 14.836 2.732 2.593 40 HB2 DAL 7 HB3 DAL 7 13.655 1.604 3.243 41 H LEU 8 HN LEU 8 14.584 3.050 -0.867 42 HA LEU 8 HA LEU 8 16.376 0.844 -1.408 43 HB2 LEU 8 HB2 LEU 8 16.449 3.601 -2.647 44 HB3 LEU 8 HB1 LEU 8 17.043 2.088 -3.331 45 HG LEU 8 HG LEU 8 14.140 2.747 -2.752 46 HD11 LEU 8 HD11 LEU 8 14.232 2.299 -5.394 47 HD12 LEU 8 HD12 LEU 8 15.872 2.904 -5.173 48 HD13 LEU 8 HD13 LEU 8 14.495 3.901 -4.707 49 HD21 LEU 8 HD21 LEU 8 15.226 0.266 -2.703 50 HD22 LEU 8 HD22 LEU 8 14.929 0.427 -4.432 51 HD23 LEU 8 HD23 LEU 8 13.596 0.589 -3.290 52 H MET 9 HN MET 9 16.304 3.359 0.736 53 HA MET 9 HA MET 9 19.202 3.817 0.756 54 HB2 MET 9 HB2 MET 9 17.965 5.158 2.922 55 HB3 MET 9 HB1 MET 9 18.593 5.869 1.440 56 HG2 MET 9 HG2 MET 9 16.410 5.423 0.333 57 HG3 MET 9 HG1 MET 9 15.786 4.814 1.868 58 HE1 MET 9 HE1 MET 9 15.552 7.655 4.212 59 HE2 MET 9 HE2 MET 9 17.135 6.894 4.077 60 HE3 MET 9 HE3 MET 9 15.678 5.917 3.913 61 H DBB 10 HN DBB 10 16.587 2.528 2.779 62 HA DBB 10 HA DBB 10 18.631 1.345 4.564 63 HB2 DBB 10 HB2 DBB 10 17.508 -0.263 3.008 64 HG1 DBB 10 HG1 DBB 10 15.074 0.490 4.599 65 HG2 DBB 10 HG2 DBB 10 15.174 -0.880 3.502 66 HG3 DBB 10 HG3 DBB 10 15.355 0.756 2.885 67 H GLY 11 HN GLY 11 15.252 2.391 4.281 68 HA2 GLY 11 HA2 GLY 11 14.716 2.261 7.065 69 HA3 GLY 11 HA1 GLY 11 15.220 3.876 6.602 70 H CYS 12 HN CYS 12 13.037 1.329 5.395 71 HA CYS 12 HA CYS 12 10.761 3.117 5.467 72 HB2 CYS 12 HB2 CYS 12 11.296 1.980 2.778 73 HB3 CYS 12 HB1 CYS 12 10.413 3.437 3.213 74 H GLY 13 HN GLY 13 9.399 1.696 3.388 75 HA2 GLY 13 HA2 GLY 13 9.186 -1.030 4.501 76 HA3 GLY 13 HA1 GLY 13 7.749 -0.050 4.226 77 H TRP 14 HN TRP 14 9.913 0.820 1.951 78 HA TRP 14 HA TRP 14 8.834 0.447 -0.346 79 HB2 TRP 14 HB2 TRP 14 10.982 -0.283 -1.367 80 HB3 TRP 14 HB1 TRP 14 11.175 1.033 -0.226 81 HD1 TRP 14 HD1 TRP 14 10.657 -1.451 2.130 82 HE1 TRP 14 HE1 TRP 14 12.800 -2.663 2.882 83 HE3 TRP 14 HE3 TRP 14 13.770 -0.168 -1.697 84 HZ2 TRP 14 HZ2 TRP 14 15.485 -3.042 1.974 85 HZ3 TRP 14 HZ3 TRP 14 16.115 -0.970 -1.735 86 HH2 TRP 14 HH2 TRP 14 16.975 -2.405 0.095 87 H LEU 15 HN LEU 15 10.897 -2.237 -0.572 88 HA LEU 15 HA LEU 15 8.584 -4.011 -0.948 89 HB2 LEU 15 HB2 LEU 15 10.612 -5.327 -2.135 90 HB3 LEU 15 HB1 LEU 15 9.648 -4.110 -2.974 91 HG LEU 15 HG LEU 15 12.099 -3.321 -1.403 92 HD11 LEU 15 HD11 LEU 15 12.170 -5.090 -3.553 93 HD12 LEU 15 HD12 LEU 15 13.516 -4.119 -2.957 94 HD13 LEU 15 HD13 LEU 15 12.513 -3.520 -4.278 95 HD21 LEU 15 HD21 LEU 15 11.122 -2.039 -3.938 96 HD22 LEU 15 HD22 LEU 15 11.950 -1.303 -2.567 97 HD23 LEU 15 HD23 LEU 15 10.243 -1.729 -2.442 98 H DBU 16 HN DHB 16 11.622 -3.582 0.751 99 HB DBU 16 HB DHB 16 13.237 -6.421 2.957 100 HG1 DBU 16 HG1 DHB 16 13.668 -5.364 0.117 101 HG2 DBU 16 HG2 DHB 16 13.753 -7.094 0.452 102 HG3 DBU 16 HG3 DHB 16 14.908 -5.992 1.202 103 H GLY 17 HN GLY 17 11.263 -3.079 3.327 104 HA2 GLY 17 HA2 GLY 17 9.230 -2.840 4.699 105 HA3 GLY 17 HA1 GLY 17 9.498 -4.493 5.235 106 H LEU 18 HN LEU 18 11.838 -4.794 6.152 107 HA LEU 18 HA LEU 18 12.194 -2.690 8.183 108 HB2 LEU 18 HB2 LEU 18 12.754 -5.639 8.126 109 HB3 LEU 18 HB1 LEU 18 13.587 -4.595 9.279 110 HG LEU 18 HG LEU 18 11.391 -3.753 10.075 111 HD11 LEU 18 HD11 LEU 18 9.820 -3.966 8.398 112 HD12 LEU 18 HD12 LEU 18 9.467 -5.444 9.294 113 HD13 LEU 18 HD13 LEU 18 10.469 -5.510 7.844 114 HD21 LEU 18 HD21 LEU 18 11.326 -5.450 11.575 115 HD22 LEU 18 HD22 LEU 18 12.589 -6.208 10.605 116 HD23 LEU 18 HD23 LEU 18 10.898 -6.628 10.335 117 H CYS 19 HN CYS 19 13.428 -3.281 5.276 118 HA CYS 19 HA CYS 19 15.360 -2.565 4.243 119 HB2 CYS 19 HB2 CYS 19 15.404 -0.721 5.895 120 HB3 CYS 19 HB1 CYS 19 16.246 -1.766 7.027 121 H VAL 20 HN VAL 20 15.136 -5.167 4.513 122 HA VAL 20 HA VAL 20 17.100 -6.502 6.046 123 HB VAL 20 HB VAL 20 15.986 -7.439 3.401 124 HG11 VAL 20 HG11 VAL 20 17.014 -9.366 3.939 125 HG12 VAL 20 HG12 VAL 20 16.174 -9.405 5.490 126 HG13 VAL 20 HG13 VAL 20 17.721 -8.569 5.345 127 HG21 VAL 20 HG21 VAL 20 14.196 -8.485 4.903 128 HG22 VAL 20 HG22 VAL 20 14.068 -6.744 4.651 129 HG23 VAL 20 HG23 VAL 20 14.739 -7.370 6.158 130 H ARG 21 HN ARG 21 17.086 -5.318 2.698 131 HA ARG 21 HA ARG 21 19.609 -6.291 1.935 132 HB2 ARG 21 HB2 ARG 21 17.940 -5.371 0.351 133 HB3 ARG 21 HB1 ARG 21 18.238 -3.758 0.999 134 HG2 ARG 21 HG2 ARG 21 20.619 -3.944 0.355 135 HG3 ARG 21 HG1 ARG 21 20.307 -5.546 -0.314 136 HD2 ARG 21 HD2 ARG 21 18.618 -4.513 -1.849 137 HD3 ARG 21 HD1 ARG 21 19.098 -2.929 -1.247 138 HE ARG 21 HE ARG 21 20.657 -4.670 -3.001 139 HH11 ARG 21 HH11 ARG 21 20.484 -1.882 -0.958 140 HH12 ARG 21 HH12 ARG 21 21.875 -1.118 -1.651 141 HH21 ARG 21 HH21 ARG 21 22.482 -3.673 -3.914 142 HH22 ARG 21 HH22 ARG 21 23.006 -2.130 -3.323 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 8.844 0.182 -8.944 2 H2 ALA 1 HT2 ALA 1 10.082 -0.374 -7.921 3 H3 ALA 1 HT3 ALA 1 10.014 1.265 -8.362 4 HA ALA 1 HA ALA 1 7.596 0.955 -7.272 5 HB1 ALA 1 HB1 ALA 1 9.383 -1.174 -6.272 6 HB2 ALA 1 HB2 ALA 1 7.623 -1.071 -6.233 7 HB3 ALA 1 HB3 ALA 1 8.582 -0.233 -5.013 8 H GLY 2 HN GLY 2 11.016 1.099 -6.301 9 HA2 GLY 2 HA2 GLY 2 10.446 3.697 -4.997 10 HA3 GLY 2 HA1 GLY 2 11.573 2.527 -4.315 11 H GLY 3 HN GLY 3 11.622 5.373 -5.706 12 HA2 GLY 3 HA2 GLY 3 13.644 4.904 -7.758 13 HA3 GLY 3 HA1 GLY 3 12.942 6.458 -7.317 14 H DBU 4 HN DHB 4 13.597 5.240 -4.414 15 HB DBU 4 HB DHB 4 17.488 5.777 -3.107 16 HG1 DBU 4 HG1 DHB 4 17.884 5.331 -5.775 17 HG2 DBU 4 HG2 DHB 4 16.695 4.057 -5.501 18 HG3 DBU 4 HG3 DHB 4 18.234 4.027 -4.640 19 H ILE 5 HN ILE 5 14.507 4.979 -1.719 20 HA ILE 5 HA ILE 5 14.867 6.717 0.226 21 HB ILE 5 HB ILE 5 13.175 8.034 -1.806 22 HG12 ILE 5 HG12 ILE 5 15.581 8.594 -0.868 23 HG13 ILE 5 HG11 ILE 5 14.448 9.894 -1.221 24 HG21 ILE 5 HG21 ILE 5 12.117 9.410 0.079 25 HG22 ILE 5 HG22 ILE 5 12.621 8.119 1.173 26 HG23 ILE 5 HG23 ILE 5 11.475 7.779 -0.127 27 HD11 ILE 5 HD11 ILE 5 14.006 10.301 1.037 28 HD12 ILE 5 HD12 ILE 5 15.708 9.840 1.099 29 HD13 ILE 5 HD13 ILE 5 14.461 8.667 1.522 30 HA PRO 6 HA PRO 6 10.330 5.045 0.686 31 HB2 PRO 6 HB2 PRO 6 10.152 3.172 -1.586 32 HB3 PRO 6 HB1 PRO 6 8.991 4.397 -1.046 33 HG2 PRO 6 HG2 PRO 6 10.423 4.668 -3.301 34 HG3 PRO 6 HG1 PRO 6 9.947 6.050 -2.297 35 HD2 PRO 6 HD2 PRO 6 12.621 4.703 -2.489 36 HD3 PRO 6 HD1 PRO 6 12.234 6.418 -2.302 37 H DAL 7 HN DAL 7 13.272 3.706 0.214 38 HA DAL 7 HA DAL 7 12.717 0.957 0.901 39 HB1 DAL 7 HB2 DAL 7 14.419 2.000 2.967 40 HB2 DAL 7 HB3 DAL 7 12.946 1.048 3.126 41 H LEU 8 HN LEU 8 14.482 3.100 -0.693 42 HA LEU 8 HA LEU 8 16.641 1.340 -1.236 43 HB2 LEU 8 HB2 LEU 8 16.075 4.244 -1.833 44 HB3 LEU 8 HB1 LEU 8 17.612 3.505 -2.275 45 HG LEU 8 HG LEU 8 15.640 3.490 -4.002 46 HD11 LEU 8 HD11 LEU 8 16.393 0.932 -4.432 47 HD12 LEU 8 HD12 LEU 8 17.643 1.431 -3.292 48 HD13 LEU 8 HD13 LEU 8 17.420 2.318 -4.800 49 HD21 LEU 8 HD21 LEU 8 14.253 1.432 -3.809 50 HD22 LEU 8 HD22 LEU 8 13.934 2.577 -2.507 51 HD23 LEU 8 HD23 LEU 8 14.929 1.154 -2.204 52 H MET 9 HN MET 9 16.176 4.113 0.861 53 HA MET 9 HA MET 9 18.837 4.524 1.694 54 HB2 MET 9 HB2 MET 9 16.340 4.960 3.335 55 HB3 MET 9 HB1 MET 9 17.864 5.830 3.463 56 HG2 MET 9 HG2 MET 9 17.068 6.046 0.766 57 HG3 MET 9 HG1 MET 9 15.630 6.340 1.744 58 HE1 MET 9 HE1 MET 9 18.394 8.586 0.100 59 HE2 MET 9 HE2 MET 9 18.937 7.014 0.682 60 HE3 MET 9 HE3 MET 9 19.550 8.485 1.434 61 H DBB 10 HN DBB 10 16.230 2.474 2.977 62 HA DBB 10 HA DBB 10 18.243 1.125 4.674 63 HB2 DBB 10 HB2 DBB 10 17.127 -0.068 2.646 64 HG1 DBB 10 HG1 DBB 10 14.900 0.102 4.618 65 HG2 DBB 10 HG2 DBB 10 15.064 -1.343 3.633 66 HG3 DBB 10 HG3 DBB 10 14.869 0.220 2.866 67 H GLY 11 HN GLY 11 15.000 2.405 4.480 68 HA2 GLY 11 HA2 GLY 11 14.195 1.431 7.049 69 HA3 GLY 11 HA1 GLY 11 14.721 3.103 7.077 70 H CYS 12 HN CYS 12 12.472 0.881 5.484 71 HA CYS 12 HA CYS 12 10.362 2.873 5.557 72 HB2 CYS 12 HB2 CYS 12 10.840 1.728 2.865 73 HB3 CYS 12 HB1 CYS 12 10.112 3.268 3.304 74 H GLY 13 HN GLY 13 8.947 1.569 3.389 75 HA2 GLY 13 HA2 GLY 13 8.448 -1.139 4.458 76 HA3 GLY 13 HA1 GLY 13 7.115 -0.016 4.226 77 H TRP 14 HN TRP 14 9.679 0.288 2.028 78 HA TRP 14 HA TRP 14 8.219 0.060 -0.264 79 HB2 TRP 14 HB2 TRP 14 10.358 -0.363 -1.425 80 HB3 TRP 14 HB1 TRP 14 10.483 0.929 -0.258 81 HD1 TRP 14 HD1 TRP 14 10.500 -1.484 2.143 82 HE1 TRP 14 HE1 TRP 14 12.805 -2.526 2.633 83 HE3 TRP 14 HE3 TRP 14 12.981 -0.156 -2.111 84 HZ2 TRP 14 HZ2 TRP 14 15.368 -2.769 1.377 85 HZ3 TRP 14 HZ3 TRP 14 15.348 -0.805 -2.443 86 HH2 TRP 14 HH2 TRP 14 16.544 -2.109 -0.707 87 H LEU 15 HN LEU 15 10.534 -2.273 -0.795 88 HA LEU 15 HA LEU 15 8.489 -4.335 -1.105 89 HB2 LEU 15 HB2 LEU 15 10.685 -5.398 -2.244 90 HB3 LEU 15 HB1 LEU 15 9.615 -4.289 -3.100 91 HG LEU 15 HG LEU 15 11.922 -3.254 -1.454 92 HD11 LEU 15 HD11 LEU 15 13.395 -4.133 -2.895 93 HD12 LEU 15 HD12 LEU 15 12.642 -3.188 -4.181 94 HD13 LEU 15 HD13 LEU 15 12.094 -4.834 -3.859 95 HD21 LEU 15 HD21 LEU 15 11.547 -1.235 -2.538 96 HD22 LEU 15 HD22 LEU 15 9.903 -1.879 -2.547 97 HD23 LEU 15 HD23 LEU 15 10.911 -2.013 -3.988 98 H DBU 16 HN DHB 16 11.345 -3.560 0.747 99 HB DBU 16 HB DHB 16 13.125 -6.396 2.916 100 HG1 DBU 16 HG1 DHB 16 13.810 -5.268 0.239 101 HG2 DBU 16 HG2 DHB 16 13.213 -6.926 0.145 102 HG3 DBU 16 HG3 DHB 16 14.645 -6.556 1.108 103 H GLY 17 HN GLY 17 11.495 -3.079 3.345 104 HA2 GLY 17 HA2 GLY 17 9.532 -2.585 4.777 105 HA3 GLY 17 HA1 GLY 17 9.629 -4.256 5.319 106 H LEU 18 HN LEU 18 11.996 -4.807 6.100 107 HA LEU 18 HA LEU 18 12.655 -2.768 8.120 108 HB2 LEU 18 HB2 LEU 18 13.253 -5.730 7.988 109 HB3 LEU 18 HB1 LEU 18 13.819 -4.656 9.270 110 HG LEU 18 HG LEU 18 10.904 -5.022 8.524 111 HD11 LEU 18 HD11 LEU 18 11.602 -7.103 9.454 112 HD12 LEU 18 HD12 LEU 18 10.869 -6.217 10.793 113 HD13 LEU 18 HD13 LEU 18 12.624 -6.308 10.651 114 HD21 LEU 18 HD21 LEU 18 11.072 -4.081 11.108 115 HD22 LEU 18 HD22 LEU 18 10.784 -3.073 9.688 116 HD23 LEU 18 HD23 LEU 18 12.419 -3.254 10.327 117 H CYS 19 HN CYS 19 13.685 -3.676 5.139 118 HA CYS 19 HA CYS 19 15.565 -3.047 3.959 119 HB2 CYS 19 HB2 CYS 19 15.731 -1.211 5.748 120 HB3 CYS 19 HB1 CYS 19 16.886 -2.265 6.555 121 H VAL 20 HN VAL 20 15.898 -5.211 3.452 122 HA VAL 20 HA VAL 20 17.801 -6.684 5.157 123 HB VAL 20 HB VAL 20 16.419 -7.936 2.822 124 HG11 VAL 20 HG11 VAL 20 18.056 -8.789 4.928 125 HG12 VAL 20 HG12 VAL 20 17.126 -9.822 3.841 126 HG13 VAL 20 HG13 VAL 20 16.437 -9.320 5.385 127 HG21 VAL 20 HG21 VAL 20 14.689 -6.592 4.048 128 HG22 VAL 20 HG22 VAL 20 15.105 -7.472 5.518 129 HG23 VAL 20 HG23 VAL 20 14.412 -8.331 4.143 130 H ARG 21 HN ARG 21 17.532 -4.918 2.256 131 HA ARG 21 HA ARG 21 19.283 -6.186 0.516 132 HB2 ARG 21 HB2 ARG 21 17.970 -4.154 -0.046 133 HB3 ARG 21 HB1 ARG 21 19.064 -3.194 0.953 134 HG2 ARG 21 HG2 ARG 21 20.972 -3.958 -0.451 135 HG3 ARG 21 HG1 ARG 21 19.838 -4.837 -1.477 136 HD2 ARG 21 HD2 ARG 21 20.277 -2.713 -2.533 137 HD3 ARG 21 HD1 ARG 21 18.640 -2.660 -1.883 138 HE ARG 21 HE ARG 21 20.431 -1.652 0.056 139 HH11 ARG 21 HH11 ARG 21 19.085 -0.925 -3.047 140 HH12 ARG 21 HH12 ARG 21 19.196 0.793 -2.845 141 HH21 ARG 21 HH21 ARG 21 20.589 0.598 0.323 142 HH22 ARG 21 HH22 ARG 21 20.046 1.654 -0.936 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 10.844 1.803 -6.140 2 H2 ALA 1 HT2 ALA 1 9.990 0.495 -6.808 3 H3 ALA 1 HT3 ALA 1 9.156 1.885 -6.295 4 HA ALA 1 HA ALA 1 10.966 1.598 -8.622 5 HB1 ALA 1 HB1 ALA 1 8.849 2.697 -9.669 6 HB2 ALA 1 HB2 ALA 1 8.043 2.185 -8.187 7 HB3 ALA 1 HB3 ALA 1 8.782 0.985 -9.247 8 H GLY 2 HN GLY 2 10.704 3.411 -5.972 9 HA2 GLY 2 HA2 GLY 2 10.408 6.071 -6.882 10 HA3 GLY 2 HA1 GLY 2 11.228 5.577 -5.404 11 H GLY 3 HN GLY 3 13.148 3.874 -6.772 12 HA2 GLY 3 HA2 GLY 3 15.051 4.004 -8.152 13 HA3 GLY 3 HA1 GLY 3 14.662 5.688 -8.495 14 H DBU 4 HN DHB 4 14.361 5.069 -5.204 15 HB DBU 4 HB DHB 4 17.926 5.873 -3.229 16 HG1 DBU 4 HG1 DHB 4 19.144 5.241 -5.401 17 HG2 DBU 4 HG2 DHB 4 17.782 4.197 -5.800 18 HG3 DBU 4 HG3 DHB 4 18.792 3.829 -4.402 19 H ILE 5 HN ILE 5 14.977 5.030 -2.204 20 HA ILE 5 HA ILE 5 14.858 6.987 -0.462 21 HB ILE 5 HB ILE 5 13.313 7.890 -2.825 22 HG12 ILE 5 HG12 ILE 5 15.535 8.809 -1.736 23 HG13 ILE 5 HG11 ILE 5 14.322 9.940 -2.327 24 HG21 ILE 5 HG21 ILE 5 12.033 9.388 -1.075 25 HG22 ILE 5 HG22 ILE 5 12.355 8.041 0.019 26 HG23 ILE 5 HG23 ILE 5 11.421 7.777 -1.456 27 HD11 ILE 5 HD11 ILE 5 13.770 10.648 -0.222 28 HD12 ILE 5 HD12 ILE 5 15.384 10.058 0.171 29 HD13 ILE 5 HD13 ILE 5 13.975 9.044 0.478 30 HA PRO 6 HA PRO 6 10.431 4.881 -0.491 31 HB2 PRO 6 HB2 PRO 6 11.098 2.623 -2.300 32 HB3 PRO 6 HB1 PRO 6 9.606 3.577 -2.186 33 HG2 PRO 6 HG2 PRO 6 11.301 3.901 -4.225 34 HG3 PRO 6 HG1 PRO 6 10.396 5.256 -3.531 35 HD2 PRO 6 HD2 PRO 6 13.283 4.567 -3.197 36 HD3 PRO 6 HD1 PRO 6 12.497 6.156 -3.266 37 H DAL 7 HN DAL 7 13.422 3.098 -1.004 38 HA DAL 7 HA DAL 7 12.990 0.833 0.419 39 HB1 DAL 7 HB2 DAL 7 13.208 3.165 2.168 40 HB2 DAL 7 HB3 DAL 7 14.206 1.788 2.625 41 H LEU 8 HN LEU 8 15.009 2.859 -1.177 42 HA LEU 8 HA LEU 8 17.189 0.972 -0.999 43 HB2 LEU 8 HB2 LEU 8 17.321 3.685 -2.315 44 HB3 LEU 8 HB1 LEU 8 18.172 2.204 -2.759 45 HG LEU 8 HG LEU 8 15.256 2.872 -3.141 46 HD11 LEU 8 HD11 LEU 8 17.643 2.416 -4.838 47 HD12 LEU 8 HD12 LEU 8 16.226 3.427 -5.131 48 HD13 LEU 8 HD13 LEU 8 16.144 1.690 -5.421 49 HD21 LEU 8 HD21 LEU 8 16.562 0.226 -2.756 50 HD22 LEU 8 HD22 LEU 8 15.432 0.349 -4.103 51 HD23 LEU 8 HD23 LEU 8 14.891 0.709 -2.464 52 H MET 9 HN MET 9 16.190 3.776 0.613 53 HA MET 9 HA MET 9 18.666 4.918 1.362 54 HB2 MET 9 HB2 MET 9 16.063 4.942 2.907 55 HB3 MET 9 HB1 MET 9 17.374 6.115 3.012 56 HG2 MET 9 HG2 MET 9 17.033 6.675 0.611 57 HG3 MET 9 HG1 MET 9 15.658 5.574 0.583 58 HE1 MET 9 HE1 MET 9 17.246 8.743 1.755 59 HE2 MET 9 HE2 MET 9 16.940 8.126 3.376 60 HE3 MET 9 HE3 MET 9 16.075 9.552 2.806 61 H DBB 10 HN DBB 10 16.619 2.409 2.766 62 HA DBB 10 HA DBB 10 18.889 1.614 4.464 63 HB2 DBB 10 HB2 DBB 10 18.103 -0.047 2.878 64 HG1 DBB 10 HG1 DBB 10 15.753 0.946 2.947 65 HG2 DBB 10 HG2 DBB 10 15.466 -0.149 4.290 66 HG3 DBB 10 HG3 DBB 10 15.909 -0.788 2.706 67 H GLY 11 HN GLY 11 15.294 1.629 4.642 68 HA2 GLY 11 HA2 GLY 11 14.956 1.140 7.296 69 HA3 GLY 11 HA1 GLY 11 15.446 2.823 7.247 70 H CYS 12 HN CYS 12 13.257 0.805 5.279 71 HA CYS 12 HA CYS 12 11.031 2.611 5.961 72 HB2 CYS 12 HB2 CYS 12 10.413 2.869 3.641 73 HB3 CYS 12 HB1 CYS 12 12.105 3.333 3.796 74 H GLY 13 HN GLY 13 9.396 1.460 3.895 75 HA2 GLY 13 HA2 GLY 13 9.129 -1.331 4.811 76 HA3 GLY 13 HA1 GLY 13 7.732 -0.269 4.665 77 H TRP 14 HN TRP 14 9.760 0.702 2.341 78 HA TRP 14 HA TRP 14 8.590 0.516 0.086 79 HB2 TRP 14 HB2 TRP 14 10.647 -0.198 -1.108 80 HB3 TRP 14 HB1 TRP 14 10.970 0.988 0.144 81 HD1 TRP 14 HD1 TRP 14 10.497 -1.594 2.321 82 HE1 TRP 14 HE1 TRP 14 12.597 -3.009 2.818 83 HE3 TRP 14 HE3 TRP 14 13.376 -0.288 -1.670 84 HZ2 TRP 14 HZ2 TRP 14 15.174 -3.506 1.654 85 HZ3 TRP 14 HZ3 TRP 14 15.643 -1.240 -1.961 86 HH2 TRP 14 HH2 TRP 14 16.544 -2.846 -0.304 87 H LEU 15 HN LEU 15 10.496 -2.245 -0.428 88 HA LEU 15 HA LEU 15 8.080 -3.848 -0.851 89 HB2 LEU 15 HB2 LEU 15 9.942 -5.266 -2.110 90 HB3 LEU 15 HB1 LEU 15 9.197 -3.858 -2.872 91 HG LEU 15 HG LEU 15 11.683 -3.589 -1.183 92 HD11 LEU 15 HD11 LEU 15 11.753 -3.853 -4.180 93 HD12 LEU 15 HD12 LEU 15 11.866 -5.278 -3.149 94 HD13 LEU 15 HD13 LEU 15 13.077 -4.003 -3.025 95 HD21 LEU 15 HD21 LEU 15 11.204 -1.900 -3.567 96 HD22 LEU 15 HD22 LEU 15 11.718 -1.436 -1.945 97 HD23 LEU 15 HD23 LEU 15 10.010 -1.713 -2.284 98 H DBU 16 HN DHB 16 11.067 -3.655 0.928 99 HB DBU 16 HB DHB 16 12.491 -6.686 3.012 100 HG1 DBU 16 HG1 DHB 16 12.550 -6.620 0.059 101 HG2 DBU 16 HG2 DHB 16 13.807 -7.208 1.146 102 HG3 DBU 16 HG3 DHB 16 13.725 -5.494 0.737 103 H GLY 17 HN GLY 17 10.603 -3.170 3.464 104 HA2 GLY 17 HA2 GLY 17 8.580 -3.045 4.909 105 HA3 GLY 17 HA1 GLY 17 8.999 -4.661 5.466 106 H LEU 18 HN LEU 18 11.880 -4.054 5.499 107 HA LEU 18 HA LEU 18 12.310 -1.891 7.342 108 HB2 LEU 18 HB2 LEU 18 13.229 -3.660 9.082 109 HB3 LEU 18 HB1 LEU 18 11.536 -3.170 9.107 110 HG LEU 18 HG LEU 18 12.241 -5.432 7.309 111 HD11 LEU 18 HD11 LEU 18 13.308 -6.557 8.966 112 HD12 LEU 18 HD12 LEU 18 11.705 -6.725 9.685 113 HD13 LEU 18 HD13 LEU 18 12.772 -5.419 10.202 114 HD21 LEU 18 HD21 LEU 18 9.988 -5.485 7.321 115 HD22 LEU 18 HD22 LEU 18 9.936 -4.250 8.578 116 HD23 LEU 18 HD23 LEU 18 10.046 -5.953 9.021 117 H CYS 19 HN CYS 19 13.794 -1.477 5.611 118 HA CYS 19 HA CYS 19 15.683 -2.084 4.263 119 HB2 CYS 19 HB2 CYS 19 16.097 -0.278 6.005 120 HB3 CYS 19 HB1 CYS 19 16.856 -1.530 6.987 121 H VAL 20 HN VAL 20 15.001 -4.476 4.295 122 HA VAL 20 HA VAL 20 16.300 -6.304 6.023 123 HB VAL 20 HB VAL 20 15.218 -6.631 3.217 124 HG11 VAL 20 HG11 VAL 20 15.702 -8.881 3.291 125 HG12 VAL 20 HG12 VAL 20 15.628 -8.946 5.052 126 HG13 VAL 20 HG13 VAL 20 17.057 -8.289 4.253 127 HG21 VAL 20 HG21 VAL 20 13.388 -6.213 4.620 128 HG22 VAL 20 HG22 VAL 20 14.149 -6.995 6.006 129 HG23 VAL 20 HG23 VAL 20 13.506 -7.972 4.687 130 H ARG 21 HN ARG 21 17.144 -5.022 2.822 131 HA ARG 21 HA ARG 21 19.473 -6.536 2.405 132 HB2 ARG 21 HB2 ARG 21 18.356 -5.177 0.654 133 HB3 ARG 21 HB1 ARG 21 18.913 -3.710 1.462 134 HG2 ARG 21 HG2 ARG 21 21.263 -4.506 1.209 135 HG3 ARG 21 HG1 ARG 21 20.667 -5.904 0.312 136 HD2 ARG 21 HD2 ARG 21 20.184 -3.021 -0.484 137 HD3 ARG 21 HD1 ARG 21 21.431 -4.051 -1.178 138 HE ARG 21 HE ARG 21 18.635 -4.105 -1.812 139 HH11 ARG 21 HH11 ARG 21 21.501 -6.015 -1.470 140 HH12 ARG 21 HH12 ARG 21 20.993 -7.227 -2.597 141 HH21 ARG 21 HH21 ARG 21 17.964 -5.690 -3.293 142 HH22 ARG 21 HH22 ARG 21 18.990 -7.044 -3.630 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 12.476 -2.725 -7.834 2 H2 ALA 1 HT2 ALA 1 11.069 -1.806 -8.096 3 H3 ALA 1 HT3 ALA 1 11.972 -1.597 -6.672 4 HA ALA 1 HA ALA 1 13.889 -0.928 -8.177 5 HB1 ALA 1 HB1 ALA 1 13.430 -0.380 -10.392 6 HB2 ALA 1 HB2 ALA 1 11.705 -0.177 -10.091 7 HB3 ALA 1 HB3 ALA 1 12.400 -1.795 -10.178 8 H GLY 2 HN GLY 2 13.796 0.417 -6.315 9 HA2 GLY 2 HA2 GLY 2 11.792 2.529 -6.198 10 HA3 GLY 2 HA1 GLY 2 13.068 2.229 -5.020 11 H GLY 3 HN GLY 3 12.329 4.773 -6.164 12 HA2 GLY 3 HA2 GLY 3 14.398 5.472 -8.082 13 HA3 GLY 3 HA1 GLY 3 13.202 6.562 -7.386 14 H DBU 4 HN DHB 4 14.347 4.959 -4.801 15 HB DBU 4 HB DHB 4 17.759 6.231 -3.003 16 HG1 DBU 4 HG1 DHB 4 18.947 5.720 -5.161 17 HG2 DBU 4 HG2 DHB 4 17.534 4.830 -5.728 18 HG3 DBU 4 HG3 DHB 4 18.500 4.195 -4.397 19 H ILE 5 HN ILE 5 14.763 5.152 -1.911 20 HA ILE 5 HA ILE 5 14.679 6.983 -0.019 21 HB ILE 5 HB ILE 5 13.101 8.025 -2.290 22 HG12 ILE 5 HG12 ILE 5 15.293 8.916 -1.138 23 HG13 ILE 5 HG11 ILE 5 14.043 10.061 -1.616 24 HG21 ILE 5 HG21 ILE 5 11.685 9.322 -0.585 25 HG22 ILE 5 HG22 ILE 5 12.182 8.105 0.593 26 HG23 ILE 5 HG23 ILE 5 11.250 7.629 -0.829 27 HD11 ILE 5 HD11 ILE 5 13.533 10.590 0.544 28 HD12 ILE 5 HD12 ILE 5 15.132 9.933 0.892 29 HD13 ILE 5 HD13 ILE 5 13.701 8.921 1.089 30 HA PRO 6 HA PRO 6 10.280 4.834 -0.114 31 HB2 PRO 6 HB2 PRO 6 10.925 2.724 -2.100 32 HB3 PRO 6 HB1 PRO 6 9.431 3.657 -1.890 33 HG2 PRO 6 HG2 PRO 6 11.083 4.140 -3.927 34 HG3 PRO 6 HG1 PRO 6 10.190 5.438 -3.117 35 HD2 PRO 6 HD2 PRO 6 13.085 4.728 -2.882 36 HD3 PRO 6 HD1 PRO 6 12.300 6.316 -2.829 37 H DAL 7 HN DAL 7 13.297 3.170 -0.785 38 HA DAL 7 HA DAL 7 12.937 0.786 0.470 39 HB1 DAL 7 HB2 DAL 7 13.074 3.013 2.352 40 HB2 DAL 7 HB3 DAL 7 14.125 1.653 2.732 41 H LEU 8 HN LEU 8 14.814 2.816 -1.145 42 HA LEU 8 HA LEU 8 17.071 1.078 -1.118 43 HB2 LEU 8 HB2 LEU 8 17.068 3.920 -2.139 44 HB3 LEU 8 HB1 LEU 8 18.000 2.544 -2.732 45 HG LEU 8 HG LEU 8 15.065 3.117 -3.071 46 HD11 LEU 8 HD11 LEU 8 17.462 2.705 -4.802 47 HD12 LEU 8 HD12 LEU 8 16.138 3.856 -4.972 48 HD13 LEU 8 HD13 LEU 8 15.901 2.168 -5.425 49 HD21 LEU 8 HD21 LEU 8 14.738 0.907 -2.536 50 HD22 LEU 8 HD22 LEU 8 16.423 0.479 -2.839 51 HD23 LEU 8 HD23 LEU 8 15.304 0.661 -4.189 52 H MET 9 HN MET 9 16.098 3.813 0.693 53 HA MET 9 HA MET 9 18.565 4.848 1.551 54 HB2 MET 9 HB2 MET 9 15.962 4.735 3.093 55 HB3 MET 9 HB1 MET 9 17.275 5.888 3.323 56 HG2 MET 9 HG2 MET 9 16.951 6.627 0.941 57 HG3 MET 9 HG1 MET 9 15.523 5.598 0.880 58 HE1 MET 9 HE1 MET 9 16.551 9.430 2.607 59 HE2 MET 9 HE2 MET 9 17.493 7.944 2.726 60 HE3 MET 9 HE3 MET 9 16.481 8.449 4.076 61 H DBB 10 HN DBB 10 16.522 2.240 2.816 62 HA DBB 10 HA DBB 10 18.828 1.333 4.412 63 HB2 DBB 10 HB2 DBB 10 17.921 -0.196 2.693 64 HG1 DBB 10 HG1 DBB 10 15.478 -0.456 4.415 65 HG2 DBB 10 HG2 DBB 10 15.741 -1.054 2.777 66 HG3 DBB 10 HG3 DBB 10 15.569 0.673 3.069 67 H GLY 11 HN GLY 11 15.241 1.441 4.632 68 HA2 GLY 11 HA2 GLY 11 14.945 0.753 7.267 69 HA3 GLY 11 HA1 GLY 11 15.415 2.443 7.302 70 H CYS 12 HN CYS 12 13.196 0.457 5.322 71 HA CYS 12 HA CYS 12 10.963 2.210 6.101 72 HB2 CYS 12 HB2 CYS 12 10.297 2.547 3.797 73 HB3 CYS 12 HB1 CYS 12 11.973 3.064 3.964 74 H GLY 13 HN GLY 13 9.350 1.120 3.951 75 HA2 GLY 13 HA2 GLY 13 9.090 -1.710 4.747 76 HA3 GLY 13 HA1 GLY 13 7.689 -0.645 4.651 77 H TRP 14 HN TRP 14 9.678 0.457 2.349 78 HA TRP 14 HA TRP 14 8.450 0.305 0.105 79 HB2 TRP 14 HB2 TRP 14 10.522 -0.196 -1.145 80 HB3 TRP 14 HB1 TRP 14 10.811 0.910 0.183 81 HD1 TRP 14 HD1 TRP 14 10.522 -1.779 2.210 82 HE1 TRP 14 HE1 TRP 14 12.682 -3.145 2.568 83 HE3 TRP 14 HE3 TRP 14 13.200 -0.214 -1.824 84 HZ2 TRP 14 HZ2 TRP 14 15.219 -3.518 1.288 85 HZ3 TRP 14 HZ3 TRP 14 15.481 -1.084 -2.242 86 HH2 TRP 14 HH2 TRP 14 16.494 -2.732 -0.692 87 H LEU 15 HN LEU 15 10.507 -2.349 -0.513 88 HA LEU 15 HA LEU 15 8.173 -4.114 -0.815 89 HB2 LEU 15 HB2 LEU 15 9.825 -5.220 -2.514 90 HB3 LEU 15 HB1 LEU 15 8.981 -3.739 -2.975 91 HG LEU 15 HG LEU 15 11.663 -3.624 -1.607 92 HD11 LEU 15 HD11 LEU 15 11.911 -3.201 -4.424 93 HD12 LEU 15 HD12 LEU 15 11.161 -4.776 -4.159 94 HD13 LEU 15 HD13 LEU 15 12.718 -4.405 -3.419 95 HD21 LEU 15 HD21 LEU 15 9.830 -1.680 -2.323 96 HD22 LEU 15 HD22 LEU 15 10.940 -1.673 -3.692 97 HD23 LEU 15 HD23 LEU 15 11.550 -1.399 -2.062 98 H DBU 16 HN DHB 16 11.338 -3.691 0.552 99 HB DBU 16 HB DHB 16 13.422 -6.689 2.060 100 HG1 DBU 16 HG1 DHB 16 14.645 -6.640 0.067 101 HG2 DBU 16 HG2 DHB 16 13.925 -5.082 -0.337 102 HG3 DBU 16 HG3 DHB 16 13.111 -6.575 -0.801 103 H GLY 17 HN GLY 17 11.194 -3.506 3.119 104 HA2 GLY 17 HA2 GLY 17 9.677 -3.458 4.939 105 HA3 GLY 17 HA1 GLY 17 9.674 -5.218 4.959 106 H LEU 18 HN LEU 18 11.343 -2.334 5.968 107 HA LEU 18 HA LEU 18 12.699 -1.972 7.803 108 HB2 LEU 18 HB2 LEU 18 12.531 -4.964 8.245 109 HB3 LEU 18 HB1 LEU 18 13.137 -3.768 9.388 110 HG LEU 18 HG LEU 18 10.311 -3.853 8.292 111 HD11 LEU 18 HD11 LEU 18 10.251 -4.172 11.052 112 HD12 LEU 18 HD12 LEU 18 11.623 -5.163 10.556 113 HD13 LEU 18 HD13 LEU 18 10.028 -5.455 9.863 114 HD21 LEU 18 HD21 LEU 18 11.867 -1.806 9.610 115 HD22 LEU 18 HD22 LEU 18 10.533 -2.303 10.650 116 HD23 LEU 18 HD23 LEU 18 10.208 -1.719 9.018 117 H CYS 19 HN CYS 19 13.967 -1.728 5.612 118 HA CYS 19 HA CYS 19 15.785 -2.440 4.247 119 HB2 CYS 19 HB2 CYS 19 16.341 -0.642 6.035 120 HB3 CYS 19 HB1 CYS 19 17.224 -1.941 6.836 121 H VAL 20 HN VAL 20 15.520 -4.665 3.871 122 HA VAL 20 HA VAL 20 16.899 -6.477 5.741 123 HB VAL 20 HB VAL 20 14.990 -7.053 3.463 124 HG11 VAL 20 HG11 VAL 20 16.304 -8.975 3.518 125 HG12 VAL 20 HG12 VAL 20 15.091 -9.369 4.737 126 HG13 VAL 20 HG13 VAL 20 16.683 -8.790 5.231 127 HG21 VAL 20 HG21 VAL 20 14.562 -7.639 6.386 128 HG22 VAL 20 HG22 VAL 20 13.361 -7.440 5.109 129 HG23 VAL 20 HG23 VAL 20 14.213 -6.032 5.746 130 H ARG 21 HN ARG 21 17.245 -4.895 2.740 131 HA ARG 21 HA ARG 21 18.981 -6.845 1.512 132 HB2 ARG 21 HB2 ARG 21 17.620 -5.267 0.168 133 HB3 ARG 21 HB1 ARG 21 18.567 -3.924 0.817 134 HG2 ARG 21 HG2 ARG 21 20.621 -4.916 -0.120 135 HG3 ARG 21 HG1 ARG 21 19.681 -6.260 -0.768 136 HD2 ARG 21 HD2 ARG 21 18.318 -4.588 -2.061 137 HD3 ARG 21 HD1 ARG 21 19.439 -3.338 -1.527 138 HE ARG 21 HE ARG 21 20.940 -5.411 -2.687 139 HH11 ARG 21 HH11 ARG 21 18.579 -3.023 -3.521 140 HH12 ARG 21 HH12 ARG 21 19.128 -2.850 -5.155 141 HH21 ARG 21 HH21 ARG 21 21.664 -5.194 -4.828 142 HH22 ARG 21 HH22 ARG 21 20.876 -4.080 -5.895 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 8.702 2.902 -8.791 2 H2 ALA 1 HT2 ALA 1 8.158 4.360 -8.110 3 H3 ALA 1 HT3 ALA 1 9.559 3.611 -7.509 4 HA ALA 1 HA ALA 1 9.394 4.473 -10.326 5 HB1 ALA 1 HB1 ALA 1 9.157 6.205 -8.124 6 HB2 ALA 1 HB2 ALA 1 9.560 6.652 -9.781 7 HB3 ALA 1 HB3 ALA 1 10.845 6.315 -8.622 8 H GLY 2 HN GLY 2 11.261 3.910 -7.354 9 HA2 GLY 2 HA2 GLY 2 13.222 2.668 -7.118 10 HA3 GLY 2 HA1 GLY 2 13.308 2.516 -8.871 11 H GLY 3 HN GLY 3 12.740 5.706 -8.000 12 HA2 GLY 3 HA2 GLY 3 15.231 6.638 -8.975 13 HA3 GLY 3 HA1 GLY 3 14.024 7.611 -8.139 14 H DBU 4 HN DHB 4 13.977 6.092 -5.705 15 HB DBU 4 HB DHB 4 17.294 6.042 -3.217 16 HG1 DBU 4 HG1 DHB 4 17.379 5.107 -6.115 17 HG2 DBU 4 HG2 DHB 4 18.582 4.804 -4.858 18 HG3 DBU 4 HG3 DHB 4 18.490 6.390 -5.628 19 H ILE 5 HN ILE 5 15.539 5.573 -2.088 20 HA ILE 5 HA ILE 5 14.632 6.746 -0.207 21 HB ILE 5 HB ILE 5 12.487 7.651 -2.118 22 HG12 ILE 5 HG12 ILE 5 14.823 8.725 -2.264 23 HG13 ILE 5 HG11 ILE 5 13.479 9.823 -1.962 24 HG21 ILE 5 HG21 ILE 5 12.899 7.907 0.855 25 HG22 ILE 5 HG22 ILE 5 11.437 7.447 -0.020 26 HG23 ILE 5 HG23 ILE 5 11.982 9.126 -0.031 27 HD11 ILE 5 HD11 ILE 5 15.742 9.738 -0.446 28 HD12 ILE 5 HD12 ILE 5 14.692 8.647 0.458 29 HD13 ILE 5 HD13 ILE 5 14.180 10.306 0.144 30 HA PRO 6 HA PRO 6 10.877 3.832 -0.697 31 HB2 PRO 6 HB2 PRO 6 11.094 2.054 -2.796 32 HB3 PRO 6 HB1 PRO 6 10.141 3.547 -2.826 33 HG2 PRO 6 HG2 PRO 6 12.693 2.940 -4.121 34 HG3 PRO 6 HG1 PRO 6 11.495 4.175 -4.503 35 HD2 PRO 6 HD2 PRO 6 13.951 4.593 -3.213 36 HD3 PRO 6 HD1 PRO 6 12.630 5.759 -3.376 37 H DAL 7 HN DAL 7 13.017 3.492 0.821 38 HA DAL 7 HA DAL 7 13.290 0.609 0.957 39 HB1 DAL 7 HB2 DAL 7 14.826 1.825 2.970 40 HB2 DAL 7 HB3 DAL 7 13.269 1.036 3.145 41 H LEU 8 HN LEU 8 14.835 2.760 -0.871 42 HA LEU 8 HA LEU 8 17.128 1.121 -1.224 43 HB2 LEU 8 HB2 LEU 8 16.920 4.036 -2.017 44 HB3 LEU 8 HB1 LEU 8 17.898 2.775 -2.771 45 HG LEU 8 HG LEU 8 14.901 3.087 -2.818 46 HD11 LEU 8 HD11 LEU 8 17.116 3.429 -4.700 47 HD12 LEU 8 HD12 LEU 8 15.458 4.016 -4.802 48 HD13 LEU 8 HD13 LEU 8 15.846 2.382 -5.330 49 HD21 LEU 8 HD21 LEU 8 16.590 0.636 -3.273 50 HD22 LEU 8 HD22 LEU 8 15.061 0.844 -4.129 51 HD23 LEU 8 HD23 LEU 8 15.084 0.790 -2.367 52 H MET 9 HN MET 9 16.346 3.864 0.740 53 HA MET 9 HA MET 9 18.975 4.565 1.566 54 HB2 MET 9 HB2 MET 9 16.387 4.934 3.091 55 HB3 MET 9 HB1 MET 9 17.871 5.871 3.269 56 HG2 MET 9 HG2 MET 9 17.604 6.474 0.788 57 HG3 MET 9 HG1 MET 9 15.973 5.816 0.918 58 HE1 MET 9 HE1 MET 9 14.937 7.254 4.145 59 HE2 MET 9 HE2 MET 9 14.668 6.106 2.836 60 HE3 MET 9 HE3 MET 9 13.890 7.686 2.788 61 H DBB 10 HN DBB 10 16.490 2.370 2.786 62 HA DBB 10 HA DBB 10 18.501 1.129 4.565 63 HB2 DBB 10 HB2 DBB 10 17.365 -0.134 2.596 64 HG1 DBB 10 HG1 DBB 10 15.125 -0.058 2.676 65 HG2 DBB 10 HG2 DBB 10 15.091 0.361 4.377 66 HG3 DBB 10 HG3 DBB 10 15.273 -1.313 3.887 67 H GLY 11 HN GLY 11 15.364 2.566 4.398 68 HA2 GLY 11 HA2 GLY 11 14.494 1.605 6.962 69 HA3 GLY 11 HA1 GLY 11 15.075 3.260 6.978 70 H CYS 12 HN CYS 12 12.819 1.104 5.282 71 HA CYS 12 HA CYS 12 10.791 3.199 5.290 72 HB2 CYS 12 HB2 CYS 12 11.198 1.939 2.637 73 HB3 CYS 12 HB1 CYS 12 10.655 3.564 3.037 74 H GLY 13 HN GLY 13 9.181 1.975 3.316 75 HA2 GLY 13 HA2 GLY 13 8.496 -0.607 4.606 76 HA3 GLY 13 HA1 GLY 13 7.282 0.556 4.087 77 H TRP 14 HN TRP 14 9.784 0.677 1.964 78 HA TRP 14 HA TRP 14 8.450 -0.109 -0.286 79 HB2 TRP 14 HB2 TRP 14 10.558 -0.165 -1.366 80 HB3 TRP 14 HB1 TRP 14 10.758 0.974 -0.041 81 HD1 TRP 14 HD1 TRP 14 10.875 -1.396 2.199 82 HE1 TRP 14 HE1 TRP 14 13.104 -2.666 2.481 83 HE3 TRP 14 HE3 TRP 14 13.045 -0.360 -2.296 84 HZ2 TRP 14 HZ2 TRP 14 15.492 -3.172 0.986 85 HZ3 TRP 14 HZ3 TRP 14 15.292 -1.243 -2.845 86 HH2 TRP 14 HH2 TRP 14 16.518 -2.646 -1.211 87 H LEU 15 HN LEU 15 9.382 -2.080 -1.683 88 HA LEU 15 HA LEU 15 8.161 -4.366 -1.172 89 HB2 LEU 15 HB2 LEU 15 10.109 -5.608 -2.209 90 HB3 LEU 15 HB1 LEU 15 9.529 -4.218 -3.128 91 HG LEU 15 HG LEU 15 11.759 -3.935 -1.121 92 HD11 LEU 15 HD11 LEU 15 13.344 -4.699 -2.572 93 HD12 LEU 15 HD12 LEU 15 12.455 -4.148 -3.993 94 HD13 LEU 15 HD13 LEU 15 12.007 -5.660 -3.201 95 HD21 LEU 15 HD21 LEU 15 11.123 -1.814 -1.738 96 HD22 LEU 15 HD22 LEU 15 10.510 -2.328 -3.303 97 HD23 LEU 15 HD23 LEU 15 12.243 -2.142 -3.054 98 H DBU 16 HN DHB 16 11.087 -3.345 0.545 99 HB DBU 16 HB DHB 16 12.633 -5.926 3.194 100 HG1 DBU 16 HG1 DHB 16 13.943 -6.788 1.438 101 HG2 DBU 16 HG2 DHB 16 13.593 -5.331 0.507 102 HG3 DBU 16 HG3 DHB 16 12.518 -6.726 0.401 103 H GLY 17 HN GLY 17 11.900 -2.823 3.553 104 HA2 GLY 17 HA2 GLY 17 10.074 -1.589 4.788 105 HA3 GLY 17 HA1 GLY 17 9.568 -3.181 5.338 106 H LEU 18 HN LEU 18 11.962 -4.384 5.948 107 HA LEU 18 HA LEU 18 12.831 -2.774 8.258 108 HB2 LEU 18 HB2 LEU 18 13.111 -5.742 7.723 109 HB3 LEU 18 HB1 LEU 18 13.633 -4.914 9.189 110 HG LEU 18 HG LEU 18 10.786 -5.009 8.145 111 HD11 LEU 18 HD11 LEU 18 11.576 -6.169 10.770 112 HD12 LEU 18 HD12 LEU 18 12.068 -7.062 9.332 113 HD13 LEU 18 HD13 LEU 18 10.363 -6.720 9.616 114 HD21 LEU 18 HD21 LEU 18 12.173 -3.421 10.214 115 HD22 LEU 18 HD22 LEU 18 10.692 -4.205 10.765 116 HD23 LEU 18 HD23 LEU 18 10.648 -3.105 9.388 117 H CYS 19 HN CYS 19 13.793 -3.334 5.195 118 HA CYS 19 HA CYS 19 15.764 -3.071 4.057 119 HB2 CYS 19 HB2 CYS 19 15.927 -1.125 5.756 120 HB3 CYS 19 HB1 CYS 19 17.067 -2.156 6.610 121 H VAL 20 HN VAL 20 16.159 -5.192 3.631 122 HA VAL 20 HA VAL 20 17.936 -6.624 5.509 123 HB VAL 20 HB VAL 20 17.134 -8.645 4.095 124 HG11 VAL 20 HG11 VAL 20 15.151 -7.175 5.861 125 HG12 VAL 20 HG12 VAL 20 16.497 -8.140 6.464 126 HG13 VAL 20 HG13 VAL 20 15.196 -8.912 5.558 127 HG21 VAL 20 HG21 VAL 20 15.025 -6.553 3.459 128 HG22 VAL 20 HG22 VAL 20 14.850 -8.280 3.150 129 HG23 VAL 20 HG23 VAL 20 16.084 -7.353 2.296 130 H ARG 21 HN ARG 21 18.022 -4.830 2.765 131 HA ARG 21 HA ARG 21 19.229 -5.784 0.670 132 HB2 ARG 21 HB2 ARG 21 20.903 -3.984 0.677 133 HB3 ARG 21 HB1 ARG 21 19.339 -3.387 1.241 134 HG2 ARG 21 HG2 ARG 21 20.058 -3.584 3.564 135 HG3 ARG 21 HG1 ARG 21 21.587 -4.302 3.061 136 HD2 ARG 21 HD2 ARG 21 21.935 -1.939 3.541 137 HD3 ARG 21 HD1 ARG 21 22.117 -2.214 1.811 138 HE ARG 21 HE ARG 21 19.432 -1.507 2.389 139 HH11 ARG 21 HH11 ARG 21 22.647 -0.232 2.280 140 HH12 ARG 21 HH12 ARG 21 22.143 1.381 1.904 141 HH21 ARG 21 HH21 ARG 21 18.764 0.605 1.893 142 HH22 ARG 21 HH22 ARG 21 19.945 1.854 1.685 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 4.200 4.258 -6.709 2 H2 ALA 1 HT2 ALA 1 5.368 4.121 -5.483 3 H3 ALA 1 HT3 ALA 1 5.847 4.413 -7.087 4 HA ALA 1 HA ALA 1 4.193 6.479 -6.664 5 HB1 ALA 1 HB1 ALA 1 5.721 5.962 -4.095 6 HB2 ALA 1 HB2 ALA 1 3.972 5.821 -4.281 7 HB3 ALA 1 HB3 ALA 1 4.754 7.392 -4.457 8 H GLY 2 HN GLY 2 7.277 6.224 -4.944 9 HA2 GLY 2 HA2 GLY 2 8.600 7.604 -7.202 10 HA3 GLY 2 HA1 GLY 2 8.816 8.147 -5.541 11 H GLY 3 HN GLY 3 10.712 7.016 -7.610 12 HA2 GLY 3 HA2 GLY 3 11.599 4.524 -6.363 13 HA3 GLY 3 HA1 GLY 3 12.266 5.254 -7.817 14 H DBU 4 HN DHB 4 12.613 4.868 -4.444 15 HB DBU 4 HB DHB 4 16.193 6.437 -3.201 16 HG1 DBU 4 HG1 DHB 4 17.077 4.673 -4.750 17 HG2 DBU 4 HG2 DHB 4 16.816 6.125 -5.715 18 HG3 DBU 4 HG3 DHB 4 15.639 4.812 -5.760 19 H ILE 5 HN ILE 5 14.473 5.517 -1.443 20 HA ILE 5 HA ILE 5 14.020 6.916 0.429 21 HB ILE 5 HB ILE 5 11.771 8.049 -1.217 22 HG12 ILE 5 HG12 ILE 5 14.170 8.651 -1.894 23 HG13 ILE 5 HG11 ILE 5 13.150 10.011 -1.443 24 HG21 ILE 5 HG21 ILE 5 11.125 8.211 1.043 25 HG22 ILE 5 HG22 ILE 5 11.917 9.757 0.732 26 HG23 ILE 5 HG23 ILE 5 12.781 8.479 1.587 27 HD11 ILE 5 HD11 ILE 5 15.599 9.639 -0.400 28 HD12 ILE 5 HD12 ILE 5 14.656 8.682 0.744 29 HD13 ILE 5 HD13 ILE 5 14.289 10.392 0.511 30 HA PRO 6 HA PRO 6 9.823 4.606 0.667 31 HB2 PRO 6 HB2 PRO 6 9.794 2.434 -1.108 32 HB3 PRO 6 HB1 PRO 6 8.847 3.916 -1.257 33 HG2 PRO 6 HG2 PRO 6 11.128 3.043 -2.798 34 HG3 PRO 6 HG1 PRO 6 10.028 4.388 -3.094 35 HD2 PRO 6 HD2 PRO 6 12.704 4.539 -2.151 36 HD3 PRO 6 HD1 PRO 6 11.552 5.863 -2.377 37 H DAL 7 HN DAL 7 12.993 3.700 0.388 38 HA DAL 7 HA DAL 7 12.683 1.109 1.722 39 HB1 DAL 7 HB2 DAL 7 14.673 2.891 2.973 40 HB2 DAL 7 HB3 DAL 7 13.601 1.704 3.703 41 H LEU 8 HN LEU 8 14.341 3.127 -0.453 42 HA LEU 8 HA LEU 8 16.272 1.040 -0.988 43 HB2 LEU 8 HB2 LEU 8 16.240 3.840 -2.140 44 HB3 LEU 8 HB1 LEU 8 17.014 2.409 -2.818 45 HG LEU 8 HG LEU 8 14.042 2.924 -2.539 46 HD11 LEU 8 HD11 LEU 8 14.435 3.817 -4.585 47 HD12 LEU 8 HD12 LEU 8 14.584 2.144 -5.119 48 HD13 LEU 8 HD13 LEU 8 16.026 3.069 -4.707 49 HD21 LEU 8 HD21 LEU 8 15.390 0.432 -2.388 50 HD22 LEU 8 HD22 LEU 8 14.694 0.531 -4.003 51 HD23 LEU 8 HD23 LEU 8 13.661 0.710 -2.585 52 H MET 9 HN MET 9 16.062 3.937 0.823 53 HA MET 9 HA MET 9 18.857 4.469 1.122 54 HB2 MET 9 HB2 MET 9 16.862 5.265 3.203 55 HB3 MET 9 HB1 MET 9 18.204 6.190 2.530 56 HG2 MET 9 HG2 MET 9 15.604 5.529 1.105 57 HG3 MET 9 HG1 MET 9 16.078 7.099 1.734 58 HE1 MET 9 HE1 MET 9 18.862 8.367 -0.409 59 HE2 MET 9 HE2 MET 9 19.118 7.445 1.070 60 HE3 MET 9 HE3 MET 9 17.766 8.569 0.965 61 H DBB 10 HN DBB 10 16.396 2.923 3.162 62 HA DBB 10 HA DBB 10 18.555 1.652 4.730 63 HB2 DBB 10 HB2 DBB 10 17.551 -0.446 4.539 64 HG1 DBB 10 HG1 DBB 10 17.078 1.144 2.039 65 HG2 DBB 10 HG2 DBB 10 16.649 -0.562 2.115 66 HG3 DBB 10 HG3 DBB 10 18.322 -0.060 2.367 67 H GLY 11 HN GLY 11 15.082 2.470 4.693 68 HA2 GLY 11 HA2 GLY 11 14.640 2.086 7.461 69 HA3 GLY 11 HA1 GLY 11 15.049 3.773 7.164 70 H CYS 12 HN CYS 12 12.998 1.258 5.652 71 HA CYS 12 HA CYS 12 10.663 2.990 5.888 72 HB2 CYS 12 HB2 CYS 12 11.234 1.880 3.190 73 HB3 CYS 12 HB1 CYS 12 10.228 3.254 3.618 74 H GLY 13 HN GLY 13 9.383 1.503 3.725 75 HA2 GLY 13 HA2 GLY 13 9.179 -1.222 4.816 76 HA3 GLY 13 HA1 GLY 13 7.725 -0.251 4.574 77 H TRP 14 HN TRP 14 10.347 0.266 2.439 78 HA TRP 14 HA TRP 14 9.074 0.009 0.053 79 HB2 TRP 14 HB2 TRP 14 11.273 -0.402 -0.965 80 HB3 TRP 14 HB1 TRP 14 11.430 0.780 0.324 81 HD1 TRP 14 HD1 TRP 14 10.926 -1.975 2.314 82 HE1 TRP 14 HE1 TRP 14 13.084 -3.224 2.992 83 HE3 TRP 14 HE3 TRP 14 14.130 -0.138 -1.178 84 HZ2 TRP 14 HZ2 TRP 14 15.809 -3.413 2.142 85 HZ3 TRP 14 HZ3 TRP 14 16.494 -0.862 -1.244 86 HH2 TRP 14 HH2 TRP 14 17.341 -2.494 0.415 87 H LEU 15 HN LEU 15 9.751 -1.812 -1.642 88 HA LEU 15 HA LEU 15 8.228 -3.969 -1.524 89 HB2 LEU 15 HB2 LEU 15 9.933 -5.254 -2.798 90 HB3 LEU 15 HB1 LEU 15 9.760 -3.600 -3.387 91 HG LEU 15 HG LEU 15 11.850 -4.432 -1.363 92 HD11 LEU 15 HD11 LEU 15 12.048 -4.154 -4.370 93 HD12 LEU 15 HD12 LEU 15 12.312 -5.617 -3.422 94 HD13 LEU 15 HD13 LEU 15 13.437 -4.266 -3.291 95 HD21 LEU 15 HD21 LEU 15 11.705 -2.144 -1.172 96 HD22 LEU 15 HD22 LEU 15 11.115 -1.920 -2.813 97 HD23 LEU 15 HD23 LEU 15 12.829 -2.231 -2.523 98 H DBU 16 HN DHB 16 11.241 -3.642 0.314 99 HB DBU 16 HB DHB 16 12.671 -6.459 2.606 100 HG1 DBU 16 HG1 DHB 16 14.048 -5.217 0.508 101 HG2 DBU 16 HG2 DHB 16 12.900 -6.228 -0.370 102 HG3 DBU 16 HG3 DHB 16 14.042 -6.963 0.755 103 H GLY 17 HN GLY 17 11.011 -3.286 3.238 104 HA2 GLY 17 HA2 GLY 17 8.794 -3.029 4.452 105 HA3 GLY 17 HA1 GLY 17 9.069 -4.694 4.957 106 H LEU 18 HN LEU 18 11.565 -4.886 5.728 107 HA LEU 18 HA LEU 18 11.783 -2.951 7.939 108 HB2 LEU 18 HB2 LEU 18 12.958 -5.714 7.563 109 HB3 LEU 18 HB1 LEU 18 13.297 -4.672 8.945 110 HG LEU 18 HG LEU 18 10.493 -5.470 8.126 111 HD11 LEU 18 HD11 LEU 18 10.585 -7.102 9.964 112 HD12 LEU 18 HD12 LEU 18 12.271 -6.682 10.264 113 HD13 LEU 18 HD13 LEU 18 11.815 -7.469 8.754 114 HD21 LEU 18 HD21 LEU 18 11.746 -4.072 10.490 115 HD22 LEU 18 HD22 LEU 18 10.171 -4.854 10.622 116 HD23 LEU 18 HD23 LEU 18 10.403 -3.532 9.479 117 H CYS 19 HN CYS 19 12.965 -3.343 4.917 118 HA CYS 19 HA CYS 19 14.686 -2.277 3.813 119 HB2 CYS 19 HB2 CYS 19 14.705 -1.005 6.380 120 HB3 CYS 19 HB1 CYS 19 16.369 -1.310 5.881 121 H VAL 20 HN VAL 20 15.319 -4.424 3.268 122 HA VAL 20 HA VAL 20 17.041 -6.031 4.813 123 HB VAL 20 HB VAL 20 16.677 -5.871 1.812 124 HG11 VAL 20 HG11 VAL 20 17.716 -8.065 1.732 125 HG12 VAL 20 HG12 VAL 20 17.875 -8.097 3.487 126 HG13 VAL 20 HG13 VAL 20 18.821 -6.952 2.536 127 HG21 VAL 20 HG21 VAL 20 14.636 -6.418 3.125 128 HG22 VAL 20 HG22 VAL 20 15.507 -7.745 3.896 129 HG23 VAL 20 HG23 VAL 20 15.184 -7.790 2.162 130 H ARG 21 HN ARG 21 17.709 -3.645 2.265 131 HA ARG 21 HA ARG 21 20.549 -3.978 2.371 132 HB2 ARG 21 HB2 ARG 21 18.782 -1.810 1.222 133 HB3 ARG 21 HB1 ARG 21 20.539 -1.809 1.070 134 HG2 ARG 21 HG2 ARG 21 20.460 -3.996 -0.049 135 HG3 ARG 21 HG1 ARG 21 18.706 -4.036 0.131 136 HD2 ARG 21 HD2 ARG 21 18.523 -1.984 -1.234 137 HD3 ARG 21 HD1 ARG 21 20.275 -1.962 -1.426 138 HE ARG 21 HE ARG 21 19.345 -4.469 -2.284 139 HH11 ARG 21 HH11 ARG 21 19.142 -1.115 -3.110 140 HH12 ARG 21 HH12 ARG 21 18.925 -1.404 -4.804 141 HH21 ARG 21 HH21 ARG 21 19.051 -4.855 -4.501 142 HH22 ARG 21 HH22 ARG 21 18.874 -3.522 -5.592 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 7.600 4.214 -4.981 2 H2 ALA 1 HT2 ALA 1 7.987 3.616 -6.524 3 H3 ALA 1 HT3 ALA 1 9.043 4.686 -5.733 4 HA ALA 1 HA ALA 1 9.415 3.026 -3.991 5 HB1 ALA 1 HB1 ALA 1 8.251 1.071 -3.920 6 HB2 ALA 1 HB2 ALA 1 8.303 0.866 -5.671 7 HB3 ALA 1 HB3 ALA 1 7.093 1.923 -4.941 8 H GLY 2 HN GLY 2 11.462 2.342 -4.223 9 HA2 GLY 2 HA2 GLY 2 13.344 1.394 -5.209 10 HA3 GLY 2 HA1 GLY 2 12.410 1.134 -6.678 11 H GLY 3 HN GLY 3 12.150 4.295 -5.452 12 HA2 GLY 3 HA2 GLY 3 13.925 5.280 -7.591 13 HA3 GLY 3 HA1 GLY 3 12.597 6.182 -6.870 14 H DBU 4 HN DHB 4 14.049 4.708 -4.325 15 HB DBU 4 HB DHB 4 17.299 6.433 -2.602 16 HG1 DBU 4 HG1 DHB 4 17.144 4.916 -5.264 17 HG2 DBU 4 HG2 DHB 4 18.153 4.390 -3.916 18 HG3 DBU 4 HG3 DHB 4 18.492 5.920 -4.728 19 H ILE 5 HN ILE 5 15.187 5.543 -1.081 20 HA ILE 5 HA ILE 5 14.554 7.095 0.645 21 HB ILE 5 HB ILE 5 12.619 8.141 -1.414 22 HG12 ILE 5 HG12 ILE 5 15.100 8.782 -1.581 23 HG13 ILE 5 HG11 ILE 5 13.965 10.123 -1.430 24 HG21 ILE 5 HG21 ILE 5 12.210 9.868 0.420 25 HG22 ILE 5 HG22 ILE 5 13.046 8.769 1.516 26 HG23 ILE 5 HG23 ILE 5 11.554 8.261 0.722 27 HD11 ILE 5 HD11 ILE 5 16.141 9.444 0.294 28 HD12 ILE 5 HD12 ILE 5 14.643 9.266 1.203 29 HD13 ILE 5 HD13 ILE 5 15.026 10.801 0.427 30 HA PRO 6 HA PRO 6 10.354 4.878 0.503 31 HB2 PRO 6 HB2 PRO 6 10.022 3.045 -1.517 32 HB3 PRO 6 HB1 PRO 6 9.472 4.723 -1.598 33 HG2 PRO 6 HG2 PRO 6 11.715 3.435 -2.952 34 HG3 PRO 6 HG1 PRO 6 10.861 4.925 -3.349 35 HD2 PRO 6 HD2 PRO 6 13.402 4.699 -2.117 36 HD3 PRO 6 HD1 PRO 6 12.460 6.171 -2.398 37 H DAL 7 HN DAL 7 13.428 3.620 0.074 38 HA DAL 7 HA DAL 7 12.871 0.882 0.770 39 HB1 DAL 7 HB2 DAL 7 14.521 1.880 2.888 40 HB2 DAL 7 HB3 DAL 7 13.012 0.984 2.997 41 H LEU 8 HN LEU 8 14.654 2.939 -0.890 42 HA LEU 8 HA LEU 8 16.819 1.121 -1.225 43 HB2 LEU 8 HB2 LEU 8 16.826 4.041 -2.019 44 HB3 LEU 8 HB1 LEU 8 17.733 2.719 -2.751 45 HG LEU 8 HG LEU 8 14.846 3.429 -3.035 46 HD11 LEU 8 HD11 LEU 8 15.821 2.040 -5.265 47 HD12 LEU 8 HD12 LEU 8 17.191 2.996 -4.702 48 HD13 LEU 8 HD13 LEU 8 15.667 3.787 -5.105 49 HD21 LEU 8 HD21 LEU 8 14.376 1.279 -2.271 50 HD22 LEU 8 HD22 LEU 8 15.933 0.639 -2.800 51 HD23 LEU 8 HD23 LEU 8 14.660 0.956 -3.979 52 H MET 9 HN MET 9 16.256 3.970 0.704 53 HA MET 9 HA MET 9 18.910 4.480 1.533 54 HB2 MET 9 HB2 MET 9 16.386 4.976 3.123 55 HB3 MET 9 HB1 MET 9 17.915 5.848 3.238 56 HG2 MET 9 HG2 MET 9 17.600 6.490 0.796 57 HG3 MET 9 HG1 MET 9 15.968 5.836 0.926 58 HE1 MET 9 HE1 MET 9 18.018 8.409 3.695 59 HE2 MET 9 HE2 MET 9 17.891 9.541 2.352 60 HE3 MET 9 HE3 MET 9 18.604 7.951 2.091 61 H DBB 10 HN DBB 10 16.325 2.423 2.831 62 HA DBB 10 HA DBB 10 18.329 1.155 4.602 63 HB2 DBB 10 HB2 DBB 10 17.210 -0.112 2.616 64 HG1 DBB 10 HG1 DBB 10 14.962 0.204 4.527 65 HG2 DBB 10 HG2 DBB 10 15.153 -1.354 3.751 66 HG3 DBB 10 HG3 DBB 10 14.951 0.085 2.775 67 H GLY 11 HN GLY 11 15.098 2.441 4.370 68 HA2 GLY 11 HA2 GLY 11 14.286 1.552 6.973 69 HA3 GLY 11 HA1 GLY 11 14.802 3.227 6.939 70 H CYS 12 HN CYS 12 12.559 0.929 5.438 71 HA CYS 12 HA CYS 12 10.452 2.926 5.413 72 HB2 CYS 12 HB2 CYS 12 10.945 1.710 2.763 73 HB3 CYS 12 HB1 CYS 12 10.253 3.278 3.157 74 H GLY 13 HN GLY 13 8.994 1.645 3.322 75 HA2 GLY 13 HA2 GLY 13 8.466 -1.051 4.410 76 HA3 GLY 13 HA1 GLY 13 7.155 0.092 4.148 77 H TRP 14 HN TRP 14 9.716 0.348 1.941 78 HA TRP 14 HA TRP 14 8.263 0.065 -0.350 79 HB2 TRP 14 HB2 TRP 14 10.406 -0.432 -1.488 80 HB3 TRP 14 HB1 TRP 14 10.533 0.909 -0.382 81 HD1 TRP 14 HD1 TRP 14 10.590 -1.209 2.198 82 HE1 TRP 14 HE1 TRP 14 12.849 -2.324 2.724 83 HE3 TRP 14 HE3 TRP 14 12.967 -0.516 -2.264 84 HZ2 TRP 14 HZ2 TRP 14 15.338 -2.857 1.421 85 HZ3 TRP 14 HZ3 TRP 14 15.279 -1.340 -2.596 86 HH2 TRP 14 HH2 TRP 14 16.467 -2.508 -0.761 87 H LEU 15 HN LEU 15 10.561 -2.298 -0.806 88 HA LEU 15 HA LEU 15 8.510 -4.345 -1.116 89 HB2 LEU 15 HB2 LEU 15 10.824 -5.461 -2.043 90 HB3 LEU 15 HB1 LEU 15 9.725 -4.499 -3.031 91 HG LEU 15 HG LEU 15 11.930 -3.210 -1.420 92 HD11 LEU 15 HD11 LEU 15 12.060 -4.443 -4.171 93 HD12 LEU 15 HD12 LEU 15 13.140 -4.709 -2.802 94 HD13 LEU 15 HD13 LEU 15 13.165 -3.167 -3.658 95 HD21 LEU 15 HD21 LEU 15 10.841 -2.224 -4.038 96 HD22 LEU 15 HD22 LEU 15 11.481 -1.302 -2.679 97 HD23 LEU 15 HD23 LEU 15 9.868 -2.007 -2.585 98 H DBU 16 HN DHB 16 11.448 -3.662 0.713 99 HB DBU 16 HB DHB 16 12.941 -6.481 3.104 100 HG1 DBU 16 HG1 DHB 16 12.977 -6.372 0.067 101 HG2 DBU 16 HG2 DHB 16 13.941 -7.417 1.113 102 HG3 DBU 16 HG3 DHB 16 14.379 -5.719 0.915 103 H GLY 17 HN GLY 17 11.663 -3.101 3.438 104 HA2 GLY 17 HA2 GLY 17 9.692 -2.356 4.767 105 HA3 GLY 17 HA1 GLY 17 9.586 -4.014 5.342 106 H LEU 18 HN LEU 18 11.982 -4.749 6.106 107 HA LEU 18 HA LEU 18 12.702 -2.789 8.184 108 HB2 LEU 18 HB2 LEU 18 13.102 -5.784 8.036 109 HB3 LEU 18 HB1 LEU 18 13.715 -4.764 9.338 110 HG LEU 18 HG LEU 18 10.796 -4.910 8.535 111 HD11 LEU 18 HD11 LEU 18 11.718 -7.060 9.482 112 HD12 LEU 18 HD12 LEU 18 10.453 -6.322 10.466 113 HD13 LEU 18 HD13 LEU 18 12.145 -6.165 10.941 114 HD21 LEU 18 HD21 LEU 18 11.415 -2.814 9.620 115 HD22 LEU 18 HD22 LEU 18 12.257 -3.689 10.899 116 HD23 LEU 18 HD23 LEU 18 10.503 -3.801 10.761 117 H CYS 19 HN CYS 19 13.684 -3.372 5.225 118 HA CYS 19 HA CYS 19 15.636 -3.068 4.066 119 HB2 CYS 19 HB2 CYS 19 15.781 -1.126 5.762 120 HB3 CYS 19 HB1 CYS 19 16.931 -2.139 6.623 121 H VAL 20 HN VAL 20 15.831 -5.316 3.794 122 HA VAL 20 HA VAL 20 17.836 -6.615 5.530 123 HB VAL 20 HB VAL 20 16.895 -8.744 4.497 124 HG11 VAL 20 HG11 VAL 20 16.269 -8.236 6.741 125 HG12 VAL 20 HG12 VAL 20 14.752 -8.556 5.902 126 HG13 VAL 20 HG13 VAL 20 15.245 -6.894 6.231 127 HG21 VAL 20 HG21 VAL 20 14.555 -8.466 3.598 128 HG22 VAL 20 HG22 VAL 20 15.803 -7.788 2.552 129 HG23 VAL 20 HG23 VAL 20 14.830 -6.724 3.567 130 H ARG 21 HN ARG 21 17.486 -5.096 2.600 131 HA ARG 21 HA ARG 21 19.045 -6.830 0.929 132 HB2 ARG 21 HB2 ARG 21 17.464 -5.152 0.013 133 HB3 ARG 21 HB1 ARG 21 18.503 -3.862 0.624 134 HG2 ARG 21 HG2 ARG 21 20.377 -4.744 -0.740 135 HG3 ARG 21 HG1 ARG 21 19.309 -5.991 -1.380 136 HD2 ARG 21 HD2 ARG 21 17.794 -4.162 -2.212 137 HD3 ARG 21 HD1 ARG 21 19.021 -2.996 -1.724 138 HE ARG 21 HE ARG 21 20.045 -5.069 -3.453 139 HH11 ARG 21 HH11 ARG 21 18.431 -2.015 -3.243 140 HH12 ARG 21 HH12 ARG 21 18.908 -1.497 -4.826 141 HH21 ARG 21 HH21 ARG 21 20.661 -4.405 -5.536 142 HH22 ARG 21 HH22 ARG 21 20.170 -2.852 -6.124 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 8.524 3.439 -7.014 2 H2 ALA 1 HT2 ALA 1 9.241 4.960 -7.257 3 H3 ALA 1 HT3 ALA 1 10.083 3.743 -6.424 4 HA ALA 1 HA ALA 1 10.331 2.436 -8.369 5 HB1 ALA 1 HB1 ALA 1 8.476 2.549 -9.698 6 HB2 ALA 1 HB2 ALA 1 9.384 3.826 -10.508 7 HB3 ALA 1 HB3 ALA 1 8.170 4.240 -9.296 8 H GLY 2 HN GLY 2 12.415 3.207 -7.761 9 HA2 GLY 2 HA2 GLY 2 14.431 4.127 -8.473 10 HA3 GLY 2 HA1 GLY 2 13.547 5.071 -9.669 11 H GLY 3 HN GLY 3 15.442 6.461 -8.530 12 HA2 GLY 3 HA2 GLY 3 15.484 8.667 -7.678 13 HA3 GLY 3 HA1 GLY 3 14.003 8.326 -6.784 14 H DBU 4 HN DHB 4 15.700 5.651 -6.198 15 HB DBU 4 HB DHB 4 18.328 4.869 -3.435 16 HG1 DBU 4 HG1 DHB 4 19.328 4.850 -5.924 17 HG2 DBU 4 HG2 DHB 4 17.716 4.288 -6.368 18 HG3 DBU 4 HG3 DHB 4 18.717 3.326 -5.281 19 H ILE 5 HN ILE 5 15.008 5.112 -2.911 20 HA ILE 5 HA ILE 5 15.485 6.679 -0.642 21 HB ILE 5 HB ILE 5 13.565 7.829 -2.611 22 HG12 ILE 5 HG12 ILE 5 15.946 8.593 -1.085 23 HG13 ILE 5 HG11 ILE 5 15.267 9.331 -2.531 24 HG21 ILE 5 HG21 ILE 5 13.330 8.109 0.405 25 HG22 ILE 5 HG22 ILE 5 12.203 7.216 -0.617 26 HG23 ILE 5 HG23 ILE 5 12.356 8.964 -0.794 27 HD11 ILE 5 HD11 ILE 5 14.563 9.886 0.356 28 HD12 ILE 5 HD12 ILE 5 13.507 10.376 -0.969 29 HD13 ILE 5 HD13 ILE 5 15.146 11.020 -0.863 30 HA PRO 6 HA PRO 6 11.230 4.379 -0.347 31 HB2 PRO 6 HB2 PRO 6 11.336 2.491 -2.584 32 HB3 PRO 6 HB1 PRO 6 10.027 3.581 -2.087 33 HG2 PRO 6 HG2 PRO 6 11.491 3.975 -4.327 34 HG3 PRO 6 HG1 PRO 6 10.752 5.288 -3.399 35 HD2 PRO 6 HD2 PRO 6 13.607 4.431 -3.488 36 HD3 PRO 6 HD1 PRO 6 12.923 6.057 -3.299 37 H DAL 7 HN DAL 7 12.776 3.602 1.318 38 HA DAL 7 HA DAL 7 12.919 0.822 1.520 39 HB1 DAL 7 HB2 DAL 7 15.000 2.326 2.963 40 HB2 DAL 7 HB3 DAL 7 13.786 1.218 3.579 41 H LEU 8 HN LEU 8 14.826 2.972 -0.307 42 HA LEU 8 HA LEU 8 16.652 0.796 -1.005 43 HB2 LEU 8 HB2 LEU 8 16.632 3.613 -2.118 44 HB3 LEU 8 HB1 LEU 8 17.326 2.165 -2.849 45 HG LEU 8 HG LEU 8 14.377 2.642 -2.345 46 HD11 LEU 8 HD11 LEU 8 15.606 3.920 -4.236 47 HD12 LEU 8 HD12 LEU 8 14.148 3.024 -4.661 48 HD13 LEU 8 HD13 LEU 8 15.738 2.347 -5.019 49 HD21 LEU 8 HD21 LEU 8 13.968 0.500 -3.094 50 HD22 LEU 8 HD22 LEU 8 15.539 0.233 -2.346 51 HD23 LEU 8 HD23 LEU 8 15.424 0.456 -4.089 52 H MET 9 HN MET 9 16.438 3.743 0.748 53 HA MET 9 HA MET 9 19.226 4.281 1.056 54 HB2 MET 9 HB2 MET 9 16.963 5.144 2.868 55 HB3 MET 9 HB1 MET 9 18.513 5.948 2.622 56 HG2 MET 9 HG2 MET 9 17.861 6.199 0.176 57 HG3 MET 9 HG1 MET 9 16.247 5.678 0.654 58 HE1 MET 9 HE1 MET 9 15.172 6.386 2.585 59 HE2 MET 9 HE2 MET 9 14.659 8.070 2.665 60 HE3 MET 9 HE3 MET 9 15.913 7.484 3.755 61 H DBB 10 HN DBB 10 16.775 2.566 2.963 62 HA DBB 10 HA DBB 10 18.933 1.588 4.740 63 HB2 DBB 10 HB2 DBB 10 18.221 -0.284 3.503 64 HG1 DBB 10 HG1 DBB 10 16.187 1.006 2.696 65 HG2 DBB 10 HG2 DBB 10 15.339 0.244 4.034 66 HG3 DBB 10 HG3 DBB 10 16.082 -0.743 2.785 67 H GLY 11 HN GLY 11 15.364 1.760 4.658 68 HA2 GLY 11 HA2 GLY 11 14.827 1.658 7.326 69 HA3 GLY 11 HA1 GLY 11 15.293 3.328 7.051 70 H CYS 12 HN CYS 12 13.193 0.860 5.521 71 HA CYS 12 HA CYS 12 10.880 2.593 5.733 72 HB2 CYS 12 HB2 CYS 12 11.394 1.769 2.933 73 HB3 CYS 12 HB1 CYS 12 10.603 3.215 3.550 74 H GLY 13 HN GLY 13 9.418 1.436 3.675 75 HA2 GLY 13 HA2 GLY 13 9.265 -1.417 4.447 76 HA3 GLY 13 HA1 GLY 13 7.827 -0.405 4.326 77 H TRP 14 HN TRP 14 10.020 0.617 2.102 78 HA TRP 14 HA TRP 14 8.909 0.564 -0.208 79 HB2 TRP 14 HB2 TRP 14 11.017 -0.166 -1.307 80 HB3 TRP 14 HB1 TRP 14 11.283 0.959 0.015 81 HD1 TRP 14 HD1 TRP 14 10.507 -1.774 1.945 82 HE1 TRP 14 HE1 TRP 14 12.504 -3.271 2.573 83 HE3 TRP 14 HE3 TRP 14 13.894 -0.192 -1.514 84 HZ2 TRP 14 HZ2 TRP 14 15.190 -3.734 1.711 85 HZ3 TRP 14 HZ3 TRP 14 16.164 -1.179 -1.593 86 HH2 TRP 14 HH2 TRP 14 16.817 -2.941 0.013 87 H LEU 15 HN LEU 15 10.763 -2.262 -0.697 88 HA LEU 15 HA LEU 15 8.320 -3.760 -1.317 89 HB2 LEU 15 HB2 LEU 15 10.230 -5.237 -2.454 90 HB3 LEU 15 HB1 LEU 15 9.560 -3.817 -3.257 91 HG LEU 15 HG LEU 15 11.949 -3.605 -1.425 92 HD11 LEU 15 HD11 LEU 15 12.081 -5.227 -3.552 93 HD12 LEU 15 HD12 LEU 15 13.425 -4.184 -3.090 94 HD13 LEU 15 HD13 LEU 15 12.328 -3.690 -4.380 95 HD21 LEU 15 HD21 LEU 15 12.058 -1.446 -2.147 96 HD22 LEU 15 HD22 LEU 15 10.369 -1.689 -2.589 97 HD23 LEU 15 HD23 LEU 15 11.633 -1.877 -3.804 98 H DBU 16 HN DHB 16 11.236 -3.785 0.619 99 HB DBU 16 HB DHB 16 12.329 -6.926 2.742 100 HG1 DBU 16 HG1 DHB 16 13.663 -5.726 0.458 101 HG2 DBU 16 HG2 DHB 16 12.571 -6.967 -0.161 102 HG3 DBU 16 HG3 DHB 16 13.826 -7.397 1.001 103 H GLY 17 HN GLY 17 10.753 -3.341 3.168 104 HA2 GLY 17 HA2 GLY 17 8.558 -3.146 4.439 105 HA3 GLY 17 HA1 GLY 17 9.009 -4.702 5.132 106 H LEU 18 HN LEU 18 11.643 -4.443 5.708 107 HA LEU 18 HA LEU 18 11.595 -2.396 7.809 108 HB2 LEU 18 HB2 LEU 18 13.291 -4.856 7.386 109 HB3 LEU 18 HB1 LEU 18 13.616 -3.670 8.652 110 HG LEU 18 HG LEU 18 10.932 -5.027 8.307 111 HD11 LEU 18 HD11 LEU 18 13.253 -6.311 9.056 112 HD12 LEU 18 HD12 LEU 18 11.630 -6.801 9.540 113 HD13 LEU 18 HD13 LEU 18 12.600 -5.787 10.608 114 HD21 LEU 18 HD21 LEU 18 10.959 -2.868 9.523 115 HD22 LEU 18 HD22 LEU 18 12.197 -3.503 10.608 116 HD23 LEU 18 HD23 LEU 18 10.581 -4.208 10.606 117 H CYS 19 HN CYS 19 13.975 -3.696 5.468 118 HA CYS 19 HA CYS 19 14.788 -1.534 4.145 119 HB2 CYS 19 HB2 CYS 19 15.259 -0.035 5.814 120 HB3 CYS 19 HB1 CYS 19 15.575 -1.300 6.994 121 H VAL 20 HN VAL 20 16.128 -2.411 2.697 122 HA VAL 20 HA VAL 20 18.200 -4.290 3.628 123 HB VAL 20 HB VAL 20 16.553 -4.620 1.110 124 HG11 VAL 20 HG11 VAL 20 19.075 -5.663 1.962 125 HG12 VAL 20 HG12 VAL 20 18.165 -6.069 0.508 126 HG13 VAL 20 HG13 VAL 20 17.904 -6.980 1.996 127 HG21 VAL 20 HG21 VAL 20 15.012 -5.628 2.411 128 HG22 VAL 20 HG22 VAL 20 15.983 -5.308 3.847 129 HG23 VAL 20 HG23 VAL 20 16.240 -6.787 2.923 130 H ARG 21 HN ARG 21 19.336 -2.126 3.504 131 HA ARG 21 HA ARG 21 21.084 -1.011 2.480 132 HB2 ARG 21 HB2 ARG 21 21.007 -3.298 1.024 133 HB3 ARG 21 HB1 ARG 21 20.597 -2.114 -0.220 134 HG2 ARG 21 HG2 ARG 21 23.010 -2.339 -0.168 135 HG3 ARG 21 HG1 ARG 21 22.593 -0.764 0.510 136 HD2 ARG 21 HD2 ARG 21 22.773 -1.682 2.786 137 HD3 ARG 21 HD1 ARG 21 23.161 -3.267 2.123 138 HE ARG 21 HE ARG 21 25.097 -1.777 1.030 139 HH11 ARG 21 HH11 ARG 21 23.783 -1.862 4.230 140 HH12 ARG 21 HH12 ARG 21 25.263 -1.397 4.999 141 HH21 ARG 21 HH21 ARG 21 27.042 -1.166 2.033 142 HH22 ARG 21 HH22 ARG 21 27.109 -1.003 3.755 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 9.226 0.238 -7.802 2 H2 ALA 1 HT2 ALA 1 10.472 0.740 -6.761 3 H3 ALA 1 HT3 ALA 1 10.778 0.531 -8.419 4 HA ALA 1 HA ALA 1 8.969 2.305 -8.751 5 HB1 ALA 1 HB1 ALA 1 9.809 3.598 -6.289 6 HB2 ALA 1 HB2 ALA 1 8.980 2.079 -5.950 7 HB3 ALA 1 HB3 ALA 1 8.178 3.329 -6.902 8 H GLY 2 HN GLY 2 11.978 2.309 -6.828 9 HA2 GLY 2 HA2 GLY 2 14.088 3.074 -7.426 10 HA3 GLY 2 HA1 GLY 2 13.438 3.561 -8.989 11 H GLY 3 HN GLY 3 11.610 4.644 -6.324 12 HA2 GLY 3 HA2 GLY 3 12.007 7.382 -6.915 13 HA3 GLY 3 HA1 GLY 3 11.206 6.749 -5.481 14 H DBU 4 HN DHB 4 13.451 5.213 -4.521 15 HB DBU 4 HB DHB 4 17.012 6.388 -3.117 16 HG1 DBU 4 HG1 DHB 4 17.532 4.630 -4.818 17 HG2 DBU 4 HG2 DHB 4 17.545 6.201 -5.619 18 HG3 DBU 4 HG3 DHB 4 16.146 5.141 -5.781 19 H ILE 5 HN ILE 5 14.098 5.231 -1.583 20 HA ILE 5 HA ILE 5 14.518 6.793 0.523 21 HB ILE 5 HB ILE 5 12.566 8.157 -1.239 22 HG12 ILE 5 HG12 ILE 5 15.041 8.747 -0.330 23 HG13 ILE 5 HG11 ILE 5 13.855 9.978 -0.740 24 HG21 ILE 5 HG21 ILE 5 12.289 7.929 1.767 25 HG22 ILE 5 HG22 ILE 5 11.055 7.624 0.542 26 HG23 ILE 5 HG23 ILE 5 11.603 9.272 0.851 27 HD11 ILE 5 HD11 ILE 5 15.096 10.068 1.582 28 HD12 ILE 5 HD12 ILE 5 13.903 8.852 2.044 29 HD13 ILE 5 HD13 ILE 5 13.374 10.444 1.498 30 HA PRO 6 HA PRO 6 10.196 4.719 1.047 31 HB2 PRO 6 HB2 PRO 6 9.976 2.948 -1.278 32 HB3 PRO 6 HB1 PRO 6 8.806 4.116 -0.639 33 HG2 PRO 6 HG2 PRO 6 10.159 4.484 -2.957 34 HG3 PRO 6 HG1 PRO 6 9.586 5.811 -1.934 35 HD2 PRO 6 HD2 PRO 6 12.358 4.730 -2.226 36 HD3 PRO 6 HD1 PRO 6 11.816 6.388 -1.943 37 H DAL 7 HN DAL 7 13.196 3.563 0.320 38 HA DAL 7 HA DAL 7 12.730 0.795 1.129 39 HB1 DAL 7 HB2 DAL 7 14.762 2.124 2.792 40 HB2 DAL 7 HB3 DAL 7 13.552 0.926 3.239 41 H LEU 8 HN LEU 8 14.717 3.261 -0.244 42 HA LEU 8 HA LEU 8 16.621 1.221 -1.164 43 HB2 LEU 8 HB2 LEU 8 16.591 4.131 -1.984 44 HB3 LEU 8 HB1 LEU 8 17.244 2.754 -2.866 45 HG LEU 8 HG LEU 8 14.381 3.627 -2.563 46 HD11 LEU 8 HD11 LEU 8 14.767 2.520 -5.053 47 HD12 LEU 8 HD12 LEU 8 16.367 3.171 -4.692 48 HD13 LEU 8 HD13 LEU 8 14.959 4.232 -4.677 49 HD21 LEU 8 HD21 LEU 8 15.416 0.817 -2.790 50 HD22 LEU 8 HD22 LEU 8 13.944 1.258 -3.656 51 HD23 LEU 8 HD23 LEU 8 14.019 1.424 -1.902 52 H MET 9 HN MET 9 16.165 3.929 0.881 53 HA MET 9 HA MET 9 18.869 4.651 1.379 54 HB2 MET 9 HB2 MET 9 16.458 5.005 3.175 55 HB3 MET 9 HB1 MET 9 17.940 5.956 3.195 56 HG2 MET 9 HG2 MET 9 17.448 6.627 0.813 57 HG3 MET 9 HG1 MET 9 15.882 5.834 0.989 58 HE1 MET 9 HE1 MET 9 17.455 9.454 3.323 59 HE2 MET 9 HE2 MET 9 18.067 8.926 1.757 60 HE3 MET 9 HE3 MET 9 18.256 7.884 3.166 61 H DBB 10 HN DBB 10 16.571 2.427 2.895 62 HA DBB 10 HA DBB 10 18.802 1.354 4.509 63 HB2 DBB 10 HB2 DBB 10 17.994 -0.231 2.851 64 HG1 DBB 10 HG1 DBB 10 15.773 0.623 2.517 65 HG2 DBB 10 HG2 DBB 10 15.306 0.143 4.144 66 HG3 DBB 10 HG3 DBB 10 15.691 -1.081 2.942 67 H GLY 11 HN GLY 11 15.270 1.805 4.480 68 HA2 GLY 11 HA2 GLY 11 14.820 1.202 7.173 69 HA3 GLY 11 HA1 GLY 11 15.218 2.907 7.052 70 H CYS 12 HN CYS 12 13.133 0.494 5.461 71 HA CYS 12 HA CYS 12 10.798 2.195 5.811 72 HB2 CYS 12 HB2 CYS 12 11.234 1.334 3.010 73 HB3 CYS 12 HB1 CYS 12 10.364 2.735 3.625 74 H GLY 13 HN GLY 13 9.413 0.942 3.642 75 HA2 GLY 13 HA2 GLY 13 9.315 -1.892 4.419 76 HA3 GLY 13 HA1 GLY 13 7.841 -0.926 4.436 77 H TRP 14 HN TRP 14 10.140 0.009 2.134 78 HA TRP 14 HA TRP 14 8.720 0.067 -0.095 79 HB2 TRP 14 HB2 TRP 14 10.790 -0.426 -1.374 80 HB3 TRP 14 HB1 TRP 14 11.041 0.709 -0.070 81 HD1 TRP 14 HD1 TRP 14 10.797 -2.090 1.936 82 HE1 TRP 14 HE1 TRP 14 13.024 -3.315 2.338 83 HE3 TRP 14 HE3 TRP 14 13.550 -0.188 -1.913 84 HZ2 TRP 14 HZ2 TRP 14 15.635 -3.470 1.178 85 HZ3 TRP 14 HZ3 TRP 14 15.908 -0.885 -2.241 86 HH2 TRP 14 HH2 TRP 14 16.951 -2.526 -0.703 87 H LEU 15 HN LEU 15 10.818 -2.564 -0.743 88 HA LEU 15 HA LEU 15 8.492 -4.328 -1.117 89 HB2 LEU 15 HB2 LEU 15 10.030 -5.339 -2.931 90 HB3 LEU 15 HB1 LEU 15 9.262 -3.786 -3.272 91 HG LEU 15 HG LEU 15 12.001 -3.953 -2.014 92 HD11 LEU 15 HD11 LEU 15 11.190 -4.129 -4.904 93 HD12 LEU 15 HD12 LEU 15 12.386 -5.084 -4.027 94 HD13 LEU 15 HD13 LEU 15 12.731 -3.406 -4.444 95 HD21 LEU 15 HD21 LEU 15 11.456 -1.735 -3.802 96 HD22 LEU 15 HD22 LEU 15 11.896 -1.705 -2.095 97 HD23 LEU 15 HD23 LEU 15 10.203 -1.854 -2.567 98 H DBU 16 HN DHB 16 10.755 -3.925 1.048 99 HB DBU 16 HB DHB 16 13.058 -7.151 2.111 100 HG1 DBU 16 HG1 DHB 16 14.334 -6.237 0.092 101 HG2 DBU 16 HG2 DHB 16 12.787 -5.924 -0.696 102 HG3 DBU 16 HG3 DHB 16 13.297 -7.584 -0.383 103 H GLY 17 HN GLY 17 11.095 -3.774 3.135 104 HA2 GLY 17 HA2 GLY 17 9.616 -3.578 4.980 105 HA3 GLY 17 HA1 GLY 17 9.620 -5.328 5.150 106 H LEU 18 HN LEU 18 10.802 -2.479 6.411 107 HA LEU 18 HA LEU 18 12.345 -1.979 8.041 108 HB2 LEU 18 HB2 LEU 18 12.172 -4.975 8.420 109 HB3 LEU 18 HB1 LEU 18 13.075 -3.906 9.494 110 HG LEU 18 HG LEU 18 10.145 -3.503 8.850 111 HD11 LEU 18 HD11 LEU 18 11.411 -4.895 11.231 112 HD12 LEU 18 HD12 LEU 18 10.461 -5.678 9.967 113 HD13 LEU 18 HD13 LEU 18 9.696 -4.521 11.056 114 HD21 LEU 18 HD21 LEU 18 10.632 -2.405 11.298 115 HD22 LEU 18 HD22 LEU 18 10.741 -1.502 9.789 116 HD23 LEU 18 HD23 LEU 18 12.198 -2.169 10.525 117 H CYS 19 HN CYS 19 13.492 -1.700 5.751 118 HA CYS 19 HA CYS 19 15.318 -2.301 4.347 119 HB2 CYS 19 HB2 CYS 19 15.836 -0.345 5.800 120 HB3 CYS 19 HB1 CYS 19 16.566 -1.446 6.964 121 H VAL 20 HN VAL 20 15.391 -4.539 3.997 122 HA VAL 20 HA VAL 20 17.035 -6.069 5.920 123 HB VAL 20 HB VAL 20 16.006 -8.086 4.917 124 HG11 VAL 20 HG11 VAL 20 14.899 -7.392 6.869 125 HG12 VAL 20 HG12 VAL 20 13.590 -7.468 5.689 126 HG13 VAL 20 HG13 VAL 20 14.303 -5.912 6.115 127 HG21 VAL 20 HG21 VAL 20 14.746 -7.995 3.035 128 HG22 VAL 20 HG22 VAL 20 15.380 -6.362 2.832 129 HG23 VAL 20 HG23 VAL 20 13.827 -6.612 3.628 130 H ARG 21 HN ARG 21 17.168 -4.514 2.985 131 HA ARG 21 HA ARG 21 18.866 -6.426 1.609 132 HB2 ARG 21 HB2 ARG 21 17.329 -4.937 0.354 133 HB3 ARG 21 HB1 ARG 21 18.244 -3.542 0.924 134 HG2 ARG 21 HG2 ARG 21 20.283 -4.448 -0.146 135 HG3 ARG 21 HG1 ARG 21 19.353 -5.825 -0.736 136 HD2 ARG 21 HD2 ARG 21 17.844 -4.208 -1.930 137 HD3 ARG 21 HD1 ARG 21 18.938 -2.911 -1.456 138 HE ARG 21 HE ARG 21 20.430 -4.938 -2.735 139 HH11 ARG 21 HH11 ARG 21 18.018 -2.534 -3.370 140 HH12 ARG 21 HH12 ARG 21 18.488 -2.305 -5.021 141 HH21 ARG 21 HH21 ARG 21 21.041 -4.646 -4.897 142 HH22 ARG 21 HH22 ARG 21 20.199 -3.500 -5.885 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 9.305 -0.254 -9.514 2 H2 ALA 1 HT2 ALA 1 10.963 -0.357 -9.870 3 H3 ALA 1 HT3 ALA 1 10.052 0.964 -10.427 4 HA ALA 1 HA ALA 1 10.226 2.073 -8.517 5 HB1 ALA 1 HB1 ALA 1 10.170 -0.474 -6.900 6 HB2 ALA 1 HB2 ALA 1 8.690 0.220 -7.562 7 HB3 ALA 1 HB3 ALA 1 9.662 1.144 -6.417 8 H GLY 2 HN GLY 2 11.701 1.520 -6.215 9 HA2 GLY 2 HA2 GLY 2 13.845 1.148 -5.407 10 HA3 GLY 2 HA1 GLY 2 14.219 0.284 -6.896 11 H GLY 3 HN GLY 3 12.822 3.397 -7.252 12 HA2 GLY 3 HA2 GLY 3 15.021 4.423 -8.714 13 HA3 GLY 3 HA1 GLY 3 13.638 5.356 -8.147 14 H DBU 4 HN DHB 4 14.014 4.739 -5.343 15 HB DBU 4 HB DHB 4 17.280 6.296 -3.305 16 HG1 DBU 4 HG1 DHB 4 17.600 4.610 -5.850 17 HG2 DBU 4 HG2 DHB 4 18.677 4.589 -4.452 18 HG3 DBU 4 HG3 DHB 4 18.618 6.009 -5.497 19 H ILE 5 HN ILE 5 15.372 5.362 -1.959 20 HA ILE 5 HA ILE 5 14.497 6.895 -0.321 21 HB ILE 5 HB ILE 5 12.504 7.598 -2.470 22 HG12 ILE 5 HG12 ILE 5 14.933 8.481 -2.613 23 HG13 ILE 5 HG11 ILE 5 13.640 9.678 -2.658 24 HG21 ILE 5 HG21 ILE 5 11.852 9.368 -0.776 25 HG22 ILE 5 HG22 ILE 5 12.827 8.488 0.403 26 HG23 ILE 5 HG23 ILE 5 11.422 7.716 -0.331 27 HD11 ILE 5 HD11 ILE 5 14.594 8.962 0.048 28 HD12 ILE 5 HD12 ILE 5 14.199 10.544 -0.624 29 HD13 ILE 5 HD13 ILE 5 15.768 9.810 -0.958 30 HA PRO 6 HA PRO 6 10.329 4.391 -0.728 31 HB2 PRO 6 HB2 PRO 6 11.419 2.162 -2.360 32 HB3 PRO 6 HB1 PRO 6 9.821 2.930 -2.425 33 HG2 PRO 6 HG2 PRO 6 11.655 3.388 -4.316 34 HG3 PRO 6 HG1 PRO 6 10.532 4.644 -3.772 35 HD2 PRO 6 HD2 PRO 6 13.436 4.337 -3.154 36 HD3 PRO 6 HD1 PRO 6 12.468 5.815 -3.349 37 H DAL 7 HN DAL 7 13.433 2.744 -1.059 38 HA DAL 7 HA DAL 7 13.180 0.621 0.597 39 HB1 DAL 7 HB2 DAL 7 13.075 3.139 2.071 40 HB2 DAL 7 HB3 DAL 7 14.211 1.960 2.718 41 H LEU 8 HN LEU 8 15.016 2.683 -1.157 42 HA LEU 8 HA LEU 8 17.337 1.063 -0.981 43 HB2 LEU 8 HB2 LEU 8 17.248 3.882 -2.060 44 HB3 LEU 8 HB1 LEU 8 18.306 2.560 -2.555 45 HG LEU 8 HG LEU 8 15.359 2.902 -3.076 46 HD11 LEU 8 HD11 LEU 8 16.623 1.896 -5.318 47 HD12 LEU 8 HD12 LEU 8 17.858 2.932 -4.610 48 HD13 LEU 8 HD13 LEU 8 16.278 3.599 -5.024 49 HD21 LEU 8 HD21 LEU 8 15.726 0.500 -4.131 50 HD22 LEU 8 HD22 LEU 8 15.300 0.665 -2.427 51 HD23 LEU 8 HD23 LEU 8 16.977 0.379 -2.892 52 H MET 9 HN MET 9 16.274 3.959 0.605 53 HA MET 9 HA MET 9 18.722 4.914 1.596 54 HB2 MET 9 HB2 MET 9 16.033 5.051 2.976 55 HB3 MET 9 HB1 MET 9 17.389 6.166 3.163 56 HG2 MET 9 HG2 MET 9 17.183 6.710 0.708 57 HG3 MET 9 HG1 MET 9 15.720 5.730 0.670 58 HE1 MET 9 HE1 MET 9 17.601 8.052 2.775 59 HE2 MET 9 HE2 MET 9 16.471 9.209 3.474 60 HE3 MET 9 HE3 MET 9 17.066 9.452 1.834 61 H DBB 10 HN DBB 10 16.435 2.509 2.853 62 HA DBB 10 HA DBB 10 18.561 1.580 4.664 63 HB2 DBB 10 HB2 DBB 10 17.477 0.098 2.870 64 HG1 DBB 10 HG1 DBB 10 15.262 0.266 4.883 65 HG2 DBB 10 HG2 DBB 10 15.425 -1.082 3.764 66 HG3 DBB 10 HG3 DBB 10 15.200 0.547 3.147 67 H GLY 11 HN GLY 11 15.092 2.352 4.599 68 HA2 GLY 11 HA2 GLY 11 14.647 1.738 7.336 69 HA3 GLY 11 HA1 GLY 11 15.060 3.433 7.145 70 H CYS 12 HN CYS 12 13.030 1.089 5.391 71 HA CYS 12 HA CYS 12 10.705 2.874 5.719 72 HB2 CYS 12 HB2 CYS 12 10.212 2.681 3.325 73 HB3 CYS 12 HB1 CYS 12 11.810 3.385 3.550 74 H GLY 13 HN GLY 13 9.103 1.502 3.911 75 HA2 GLY 13 HA2 GLY 13 8.933 -1.235 5.006 76 HA3 GLY 13 HA1 GLY 13 7.507 -0.218 4.786 77 H TRP 14 HN TRP 14 9.905 0.313 2.504 78 HA TRP 14 HA TRP 14 8.495 -0.109 0.231 79 HB2 TRP 14 HB2 TRP 14 10.559 -0.129 -0.938 80 HB3 TRP 14 HB1 TRP 14 10.887 0.777 0.529 81 HD1 TRP 14 HD1 TRP 14 10.886 -1.951 2.335 82 HE1 TRP 14 HE1 TRP 14 13.039 -3.373 2.341 83 HE3 TRP 14 HE3 TRP 14 13.039 -0.258 -1.952 84 HZ2 TRP 14 HZ2 TRP 14 15.378 -3.732 0.722 85 HZ3 TRP 14 HZ3 TRP 14 15.224 -1.146 -2.704 86 HH2 TRP 14 HH2 TRP 14 16.397 -2.876 -1.375 87 H LEU 15 HN LEU 15 9.095 -1.882 -1.468 88 HA LEU 15 HA LEU 15 7.786 -4.158 -1.168 89 HB2 LEU 15 HB2 LEU 15 9.489 -5.305 -2.617 90 HB3 LEU 15 HB1 LEU 15 8.986 -3.721 -3.214 91 HG LEU 15 HG LEU 15 11.403 -4.051 -1.435 92 HD11 LEU 15 HD11 LEU 15 12.759 -3.988 -3.516 93 HD12 LEU 15 HD12 LEU 15 11.277 -4.132 -4.463 94 HD13 LEU 15 HD13 LEU 15 11.779 -5.449 -3.403 95 HD21 LEU 15 HD21 LEU 15 11.928 -1.920 -2.935 96 HD22 LEU 15 HD22 LEU 15 10.888 -1.797 -1.521 97 HD23 LEU 15 HD23 LEU 15 10.174 -1.902 -3.124 98 H DBU 16 HN DHB 16 10.928 -3.536 0.323 99 HB DBU 16 HB DHB 16 12.744 -6.366 2.412 100 HG1 DBU 16 HG1 DHB 16 14.210 -5.478 0.477 101 HG2 DBU 16 HG2 DHB 16 12.770 -5.523 -0.543 102 HG3 DBU 16 HG3 DHB 16 13.449 -7.023 0.094 103 H GLY 17 HN GLY 17 11.116 -3.250 3.282 104 HA2 GLY 17 HA2 GLY 17 9.031 -3.054 4.726 105 HA3 GLY 17 HA1 GLY 17 9.347 -4.740 5.131 106 H LEU 18 HN LEU 18 11.918 -4.948 5.580 107 HA LEU 18 HA LEU 18 12.646 -2.846 7.524 108 HB2 LEU 18 HB2 LEU 18 12.773 -5.849 7.910 109 HB3 LEU 18 HB1 LEU 18 13.544 -4.679 8.983 110 HG LEU 18 HG LEU 18 10.590 -4.612 8.325 111 HD11 LEU 18 HD11 LEU 18 10.169 -6.173 9.902 112 HD12 LEU 18 HD12 LEU 18 11.320 -5.450 11.026 113 HD13 LEU 18 HD13 LEU 18 11.880 -6.590 9.802 114 HD21 LEU 18 HD21 LEU 18 11.254 -2.502 9.143 115 HD22 LEU 18 HD22 LEU 18 12.423 -3.204 10.263 116 HD23 LEU 18 HD23 LEU 18 10.696 -3.338 10.593 117 H CYS 19 HN CYS 19 14.335 -1.908 6.495 118 HA CYS 19 HA CYS 19 15.978 -2.651 4.565 119 HB2 CYS 19 HB2 CYS 19 16.186 -0.625 6.199 120 HB3 CYS 19 HB1 CYS 19 17.350 -1.650 7.036 121 H VAL 20 HN VAL 20 16.218 -4.849 4.335 122 HA VAL 20 HA VAL 20 17.903 -6.224 6.329 123 HB VAL 20 HB VAL 20 17.084 -8.290 4.996 124 HG11 VAL 20 HG11 VAL 20 14.653 -7.635 6.183 125 HG12 VAL 20 HG12 VAL 20 15.821 -6.647 7.060 126 HG13 VAL 20 HG13 VAL 20 16.022 -8.397 6.993 127 HG21 VAL 20 HG21 VAL 20 14.939 -6.283 4.221 128 HG22 VAL 20 HG22 VAL 20 15.001 -7.991 3.787 129 HG23 VAL 20 HG23 VAL 20 16.181 -6.868 3.113 130 H ARG 21 HN ARG 21 18.122 -4.617 3.457 131 HA ARG 21 HA ARG 21 19.967 -6.388 2.097 132 HB2 ARG 21 HB2 ARG 21 18.478 -4.872 0.831 133 HB3 ARG 21 HB1 ARG 21 19.297 -3.483 1.551 134 HG2 ARG 21 HG2 ARG 21 21.441 -4.262 0.580 135 HG3 ARG 21 HG1 ARG 21 20.594 -5.613 -0.175 136 HD2 ARG 21 HD2 ARG 21 19.889 -2.708 -0.655 137 HD3 ARG 21 HD1 ARG 21 20.956 -3.640 -1.702 138 HE ARG 21 HE ARG 21 18.548 -5.069 -1.385 139 HH11 ARG 21 HH11 ARG 21 19.790 -2.146 -2.755 140 HH12 ARG 21 HH12 ARG 21 18.611 -2.073 -4.021 141 HH21 ARG 21 HH21 ARG 21 16.998 -4.984 -3.044 142 HH22 ARG 21 HH22 ARG 21 17.029 -3.681 -4.185 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 19.597 1.344 -6.137 2 H2 ALA 1 HT2 ALA 1 19.321 -0.331 -6.054 3 H3 ALA 1 HT3 ALA 1 18.025 0.756 -5.896 4 HA ALA 1 HA ALA 1 19.667 0.369 -8.340 5 HB1 ALA 1 HB1 ALA 1 18.194 -1.539 -7.899 6 HB2 ALA 1 HB2 ALA 1 17.568 -0.599 -9.255 7 HB3 ALA 1 HB3 ALA 1 16.826 -0.452 -7.660 8 H GLY 2 HN GLY 2 16.409 1.007 -8.804 9 HA2 GLY 2 HA2 GLY 2 16.988 3.718 -9.697 10 HA3 GLY 2 HA1 GLY 2 15.504 2.816 -9.983 11 H GLY 3 HN GLY 3 15.073 5.321 -9.301 12 HA2 GLY 3 HA2 GLY 3 13.876 6.620 -7.824 13 HA3 GLY 3 HA1 GLY 3 13.610 5.161 -6.871 14 H DBU 4 HN DHB 4 14.871 4.760 -5.081 15 HB DBU 4 HB DHB 4 18.175 6.002 -3.120 16 HG1 DBU 4 HG1 DHB 4 18.899 3.936 -4.430 17 HG2 DBU 4 HG2 DHB 4 19.402 5.424 -5.229 18 HG3 DBU 4 HG3 DHB 4 17.992 4.543 -5.814 19 H ILE 5 HN ILE 5 15.054 5.087 -2.126 20 HA ILE 5 HA ILE 5 14.991 6.930 -0.256 21 HB ILE 5 HB ILE 5 13.587 8.058 -2.601 22 HG12 ILE 5 HG12 ILE 5 15.794 8.804 -1.362 23 HG13 ILE 5 HG11 ILE 5 14.659 10.025 -1.931 24 HG21 ILE 5 HG21 ILE 5 11.670 7.785 -1.179 25 HG22 ILE 5 HG22 ILE 5 12.183 9.462 -0.999 26 HG23 ILE 5 HG23 ILE 5 12.583 8.277 0.248 27 HD11 ILE 5 HD11 ILE 5 14.070 9.009 0.773 28 HD12 ILE 5 HD12 ILE 5 14.120 10.669 0.183 29 HD13 ILE 5 HD13 ILE 5 15.614 9.851 0.644 30 HA PRO 6 HA PRO 6 10.489 5.035 -0.546 31 HB2 PRO 6 HB2 PRO 6 11.138 2.822 -2.413 32 HB3 PRO 6 HB1 PRO 6 9.683 3.835 -2.328 33 HG2 PRO 6 HG2 PRO 6 11.482 4.149 -4.279 34 HG3 PRO 6 HG1 PRO 6 10.597 5.516 -3.585 35 HD2 PRO 6 HD2 PRO 6 13.441 4.718 -3.147 36 HD3 PRO 6 HD1 PRO 6 12.709 6.332 -3.189 37 H DAL 7 HN DAL 7 13.470 3.247 -0.997 38 HA DAL 7 HA DAL 7 12.954 0.920 0.332 39 HB1 DAL 7 HB2 DAL 7 13.075 3.225 2.110 40 HB2 DAL 7 HB3 DAL 7 14.081 1.870 2.605 41 H LEU 8 HN LEU 8 14.965 2.764 -1.314 42 HA LEU 8 HA LEU 8 17.133 0.954 -1.145 43 HB2 LEU 8 HB2 LEU 8 17.319 3.782 -2.187 44 HB3 LEU 8 HB1 LEU 8 18.218 2.361 -2.719 45 HG LEU 8 HG LEU 8 15.336 3.067 -3.214 46 HD11 LEU 8 HD11 LEU 8 17.790 2.500 -4.811 47 HD12 LEU 8 HD12 LEU 8 16.522 3.694 -5.083 48 HD13 LEU 8 HD13 LEU 8 16.246 2.004 -5.499 49 HD21 LEU 8 HD21 LEU 8 16.561 0.349 -2.947 50 HD22 LEU 8 HD22 LEU 8 15.404 0.606 -4.255 51 HD23 LEU 8 HD23 LEU 8 14.918 0.878 -2.583 52 H MET 9 HN MET 9 16.246 3.785 0.577 53 HA MET 9 HA MET 9 18.752 4.609 1.578 54 HB2 MET 9 HB2 MET 9 16.052 4.827 2.929 55 HB3 MET 9 HB1 MET 9 17.456 5.860 3.193 56 HG2 MET 9 HG2 MET 9 17.358 6.538 0.792 57 HG3 MET 9 HG1 MET 9 15.883 5.593 0.629 58 HE1 MET 9 HE1 MET 9 17.817 8.123 2.319 59 HE2 MET 9 HE2 MET 9 16.895 8.179 3.819 60 HE3 MET 9 HE3 MET 9 16.744 9.491 2.651 61 H DBB 10 HN DBB 10 16.365 2.254 2.738 62 HA DBB 10 HA DBB 10 18.433 1.163 4.527 63 HB2 DBB 10 HB2 DBB 10 17.258 -0.239 2.757 64 HG1 DBB 10 HG1 DBB 10 15.029 0.414 2.942 65 HG2 DBB 10 HG2 DBB 10 15.009 0.181 4.686 66 HG3 DBB 10 HG3 DBB 10 15.072 -1.211 3.611 67 H GLY 11 HN GLY 11 15.087 2.296 4.488 68 HA2 GLY 11 HA2 GLY 11 14.637 1.670 7.248 69 HA3 GLY 11 HA1 GLY 11 15.082 3.346 6.999 70 H CYS 12 HN CYS 12 13.000 1.044 5.247 71 HA CYS 12 HA CYS 12 10.677 2.791 5.696 72 HB2 CYS 12 HB2 CYS 12 10.142 2.862 3.338 73 HB3 CYS 12 HB1 CYS 12 11.792 3.447 3.537 74 H GLY 13 HN GLY 13 9.147 1.482 3.689 75 HA2 GLY 13 HA2 GLY 13 8.986 -1.288 4.697 76 HA3 GLY 13 HA1 GLY 13 7.549 -0.293 4.474 77 H TRP 14 HN TRP 14 9.474 0.751 2.149 78 HA TRP 14 HA TRP 14 8.352 0.369 -0.101 79 HB2 TRP 14 HB2 TRP 14 10.463 -0.116 -1.271 80 HB3 TRP 14 HB1 TRP 14 10.690 1.074 -0.001 81 HD1 TRP 14 HD1 TRP 14 10.591 -1.258 2.312 82 HE1 TRP 14 HE1 TRP 14 12.743 -2.621 2.716 83 HE3 TRP 14 HE3 TRP 14 12.985 -0.411 -2.102 84 HZ2 TRP 14 HZ2 TRP 14 15.165 -3.265 1.331 85 HZ3 TRP 14 HZ3 TRP 14 15.208 -1.408 -2.543 86 HH2 TRP 14 HH2 TRP 14 16.303 -2.830 -0.833 87 H LEU 15 HN LEU 15 10.519 -2.166 -0.588 88 HA LEU 15 HA LEU 15 8.304 -4.047 -0.953 89 HB2 LEU 15 HB2 LEU 15 10.412 -5.204 -2.192 90 HB3 LEU 15 HB1 LEU 15 9.350 -4.040 -2.986 91 HG LEU 15 HG LEU 15 11.752 -3.118 -1.415 92 HD11 LEU 15 HD11 LEU 15 11.882 -4.778 -3.682 93 HD12 LEU 15 HD12 LEU 15 13.193 -3.835 -2.973 94 HD13 LEU 15 HD13 LEU 15 12.211 -3.146 -4.265 95 HD21 LEU 15 HD21 LEU 15 11.425 -1.081 -2.499 96 HD22 LEU 15 HD22 LEU 15 9.761 -1.650 -2.386 97 HD23 LEU 15 HD23 LEU 15 10.652 -1.831 -3.895 98 H DBU 16 HN DHB 16 11.360 -3.546 0.703 99 HB DBU 16 HB DHB 16 13.123 -6.386 2.794 100 HG1 DBU 16 HG1 DHB 16 13.495 -5.241 -0.017 101 HG2 DBU 16 HG2 DHB 16 13.587 -6.982 0.250 102 HG3 DBU 16 HG3 DHB 16 14.749 -5.909 1.030 103 H GLY 17 HN GLY 17 11.338 -3.202 3.490 104 HA2 GLY 17 HA2 GLY 17 9.215 -3.074 4.857 105 HA3 GLY 17 HA1 GLY 17 9.601 -4.719 5.344 106 H LEU 18 HN LEU 18 12.083 -4.834 6.065 107 HA LEU 18 HA LEU 18 12.419 -2.696 8.083 108 HB2 LEU 18 HB2 LEU 18 13.249 -5.605 8.187 109 HB3 LEU 18 HB1 LEU 18 13.616 -4.405 9.427 110 HG LEU 18 HG LEU 18 10.820 -5.136 8.511 111 HD11 LEU 18 HD11 LEU 18 12.244 -6.858 9.863 112 HD12 LEU 18 HD12 LEU 18 10.611 -6.484 10.420 113 HD13 LEU 18 HD13 LEU 18 12.004 -5.746 11.210 114 HD21 LEU 18 HD21 LEU 18 10.506 -3.922 10.888 115 HD22 LEU 18 HD22 LEU 18 10.535 -3.018 9.373 116 HD23 LEU 18 HD23 LEU 18 11.986 -3.116 10.371 117 H CYS 19 HN CYS 19 13.631 -3.698 5.208 118 HA CYS 19 HA CYS 19 15.519 -2.948 4.087 119 HB2 CYS 19 HB2 CYS 19 15.626 -1.114 5.845 120 HB3 CYS 19 HB1 CYS 19 16.684 -2.175 6.765 121 H VAL 20 HN VAL 20 15.620 -5.300 3.817 122 HA VAL 20 HA VAL 20 17.773 -6.556 5.404 123 HB VAL 20 HB VAL 20 16.823 -8.698 4.427 124 HG11 VAL 20 HG11 VAL 20 15.977 -8.696 6.520 125 HG12 VAL 20 HG12 VAL 20 14.511 -7.985 5.843 126 HG13 VAL 20 HG13 VAL 20 15.774 -6.943 6.499 127 HG21 VAL 20 HG21 VAL 20 15.622 -7.747 2.532 128 HG22 VAL 20 HG22 VAL 20 14.651 -6.742 3.608 129 HG23 VAL 20 HG23 VAL 20 14.454 -8.495 3.622 130 H ARG 21 HN ARG 21 17.043 -5.209 2.391 131 HA ARG 21 HA ARG 21 17.913 -5.716 0.225 132 HB2 ARG 21 HB2 ARG 21 20.171 -4.680 0.205 133 HB3 ARG 21 HB1 ARG 21 18.996 -3.727 1.111 134 HG2 ARG 21 HG2 ARG 21 19.811 -4.760 3.217 135 HG3 ARG 21 HG1 ARG 21 21.024 -5.648 2.293 136 HD2 ARG 21 HD2 ARG 21 20.782 -2.629 2.328 137 HD3 ARG 21 HD1 ARG 21 21.908 -3.543 3.327 138 HE ARG 21 HE ARG 21 22.115 -3.073 0.462 139 HH11 ARG 21 HH11 ARG 21 23.077 -4.922 3.223 140 HH12 ARG 21 HH12 ARG 21 24.562 -5.463 2.517 141 HH21 ARG 21 HH21 ARG 21 24.063 -3.777 -0.472 142 HH22 ARG 21 HH22 ARG 21 25.121 -4.815 0.425 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 13.711 9.672 -11.147 2 H2 ALA 1 HT2 ALA 1 13.135 11.181 -10.617 3 H3 ALA 1 HT3 ALA 1 12.046 9.996 -11.161 4 HA ALA 1 HA ALA 1 13.809 9.468 -8.860 5 HB1 ALA 1 HB1 ALA 1 12.672 10.885 -7.529 6 HB2 ALA 1 HB2 ALA 1 11.133 10.216 -8.075 7 HB3 ALA 1 HB3 ALA 1 11.887 11.539 -8.967 8 H GLY 2 HN GLY 2 11.445 8.587 -7.408 9 HA2 GLY 2 HA2 GLY 2 9.903 6.841 -7.317 10 HA3 GLY 2 HA1 GLY 2 10.176 6.543 -9.031 11 H GLY 3 HN GLY 3 13.092 6.827 -7.398 12 HA2 GLY 3 HA2 GLY 3 13.307 4.118 -6.427 13 HA3 GLY 3 HA1 GLY 3 14.144 4.379 -7.955 14 H DBU 4 HN DHB 4 14.253 4.798 -4.553 15 HB DBU 4 HB DHB 4 18.038 6.068 -3.536 16 HG1 DBU 4 HG1 DHB 4 17.346 4.309 -5.966 17 HG2 DBU 4 HG2 DHB 4 18.647 3.959 -4.826 18 HG3 DBU 4 HG3 DHB 4 18.758 5.365 -5.888 19 H ILE 5 HN ILE 5 14.899 5.052 -2.042 20 HA ILE 5 HA ILE 5 15.187 6.953 -0.210 21 HB ILE 5 HB ILE 5 13.595 8.060 -2.430 22 HG12 ILE 5 HG12 ILE 5 15.857 8.819 -1.369 23 HG13 ILE 5 HG11 ILE 5 14.666 10.048 -1.786 24 HG21 ILE 5 HG21 ILE 5 11.727 7.870 -0.982 25 HG22 ILE 5 HG22 ILE 5 12.326 9.505 -0.705 26 HG23 ILE 5 HG23 ILE 5 12.695 8.223 0.448 27 HD11 ILE 5 HD11 ILE 5 14.333 8.931 0.919 28 HD12 ILE 5 HD12 ILE 5 14.325 10.612 0.391 29 HD13 ILE 5 HD13 ILE 5 15.855 9.787 0.684 30 HA PRO 6 HA PRO 6 10.667 5.151 0.214 31 HB2 PRO 6 HB2 PRO 6 10.782 3.072 -1.892 32 HB3 PRO 6 HB1 PRO 6 9.466 4.189 -1.484 33 HG2 PRO 6 HG2 PRO 6 10.915 4.498 -3.705 34 HG3 PRO 6 HG1 PRO 6 10.298 5.882 -2.784 35 HD2 PRO 6 HD2 PRO 6 13.086 4.782 -2.876 36 HD3 PRO 6 HD1 PRO 6 12.538 6.465 -2.762 37 H DAL 7 HN DAL 7 13.495 3.382 -0.788 38 HA DAL 7 HA DAL 7 13.013 0.927 0.347 39 HB1 DAL 7 HB2 DAL 7 13.573 3.008 2.294 40 HB2 DAL 7 HB3 DAL 7 14.637 1.608 2.426 41 H LEU 8 HN LEU 8 15.134 3.171 -1.034 42 HA LEU 8 HA LEU 8 17.072 1.001 -1.339 43 HB2 LEU 8 HB2 LEU 8 17.258 3.716 -2.642 44 HB3 LEU 8 HB1 LEU 8 17.948 2.186 -3.181 45 HG LEU 8 HG LEU 8 15.094 3.126 -3.327 46 HD11 LEU 8 HD11 LEU 8 15.779 3.333 -5.464 47 HD12 LEU 8 HD12 LEU 8 15.788 1.571 -5.534 48 HD13 LEU 8 HD13 LEU 8 17.268 2.445 -5.143 49 HD21 LEU 8 HD21 LEU 8 16.079 0.345 -2.879 50 HD22 LEU 8 HD22 LEU 8 14.821 0.563 -4.095 51 HD23 LEU 8 HD23 LEU 8 14.537 1.076 -2.432 52 H MET 9 HN MET 9 16.488 3.460 0.740 53 HA MET 9 HA MET 9 19.331 4.020 1.288 54 HB2 MET 9 HB2 MET 9 18.054 5.619 3.012 55 HB3 MET 9 HB1 MET 9 18.354 6.099 1.349 56 HG2 MET 9 HG2 MET 9 16.115 5.248 0.713 57 HG3 MET 9 HG1 MET 9 15.813 4.831 2.400 58 HE1 MET 9 HE1 MET 9 16.822 7.844 4.132 59 HE2 MET 9 HE2 MET 9 16.259 6.174 4.176 60 HE3 MET 9 HE3 MET 9 15.100 7.491 4.335 61 H DBB 10 HN DBB 10 16.331 2.779 2.610 62 HA DBB 10 HA DBB 10 17.842 1.691 4.892 63 HB2 DBB 10 HB2 DBB 10 16.938 -0.388 4.537 64 HG1 DBB 10 HG1 DBB 10 16.078 -0.637 2.110 65 HG2 DBB 10 HG2 DBB 10 17.757 -0.182 2.388 66 HG3 DBB 10 HG3 DBB 10 16.573 1.044 1.948 67 H GLY 11 HN GLY 11 15.717 0.768 6.421 68 HA2 GLY 11 HA2 GLY 11 14.351 1.545 8.106 69 HA3 GLY 11 HA1 GLY 11 14.897 3.164 7.698 70 H CYS 12 HN CYS 12 13.195 0.922 5.561 71 HA CYS 12 HA CYS 12 10.795 2.621 5.671 72 HB2 CYS 12 HB2 CYS 12 10.671 2.660 3.265 73 HB3 CYS 12 HB1 CYS 12 12.286 3.206 3.717 74 H GLY 13 HN GLY 13 9.313 1.419 3.802 75 HA2 GLY 13 HA2 GLY 13 9.194 -1.433 4.567 76 HA3 GLY 13 HA1 GLY 13 7.748 -0.436 4.433 77 H TRP 14 HN TRP 14 9.920 0.634 2.234 78 HA TRP 14 HA TRP 14 8.821 0.569 -0.073 79 HB2 TRP 14 HB2 TRP 14 10.921 -0.106 -1.206 80 HB3 TRP 14 HB1 TRP 14 11.193 1.024 0.114 81 HD1 TRP 14 HD1 TRP 14 10.634 -1.636 2.176 82 HE1 TRP 14 HE1 TRP 14 12.703 -3.105 2.669 83 HE3 TRP 14 HE3 TRP 14 13.656 -0.208 -1.650 84 HZ2 TRP 14 HZ2 TRP 14 15.309 -3.594 1.548 85 HZ3 TRP 14 HZ3 TRP 14 15.903 -1.187 -1.947 86 HH2 TRP 14 HH2 TRP 14 16.741 -2.874 -0.344 87 H LEU 15 HN LEU 15 10.737 -2.153 -0.670 88 HA LEU 15 HA LEU 15 8.342 -3.728 -1.277 89 HB2 LEU 15 HB2 LEU 15 10.297 -5.096 -2.478 90 HB3 LEU 15 HB1 LEU 15 9.562 -3.679 -3.231 91 HG LEU 15 HG LEU 15 11.949 -3.406 -1.407 92 HD11 LEU 15 HD11 LEU 15 13.423 -4.035 -3.020 93 HD12 LEU 15 HD12 LEU 15 12.429 -3.380 -4.322 94 HD13 LEU 15 HD13 LEU 15 12.059 -4.965 -3.643 95 HD21 LEU 15 HD21 LEU 15 12.017 -1.238 -2.159 96 HD22 LEU 15 HD22 LEU 15 10.309 -1.525 -2.498 97 HD23 LEU 15 HD23 LEU 15 11.503 -1.678 -3.787 98 H DBU 16 HN DHB 16 11.234 -3.633 0.665 99 HB DBU 16 HB DHB 16 12.529 -6.742 2.716 100 HG1 DBU 16 HG1 DHB 16 14.315 -6.047 1.048 101 HG2 DBU 16 HG2 DHB 16 13.048 -5.722 -0.136 102 HG3 DBU 16 HG3 DHB 16 13.353 -7.375 0.399 103 H GLY 17 HN GLY 17 10.699 -3.271 3.206 104 HA2 GLY 17 HA2 GLY 17 8.514 -3.136 4.433 105 HA3 GLY 17 HA1 GLY 17 8.857 -4.773 4.982 106 H LEU 18 HN LEU 18 11.198 -4.928 5.959 107 HA LEU 18 HA LEU 18 11.309 -2.903 8.078 108 HB2 LEU 18 HB2 LEU 18 11.275 -5.285 8.730 109 HB3 LEU 18 HB1 LEU 18 12.760 -5.549 7.814 110 HG LEU 18 HG LEU 18 13.958 -3.964 9.239 111 HD11 LEU 18 HD11 LEU 18 12.726 -3.100 11.293 112 HD12 LEU 18 HD12 LEU 18 11.231 -3.609 10.506 113 HD13 LEU 18 HD13 LEU 18 12.243 -2.371 9.762 114 HD21 LEU 18 HD21 LEU 18 13.105 -5.252 11.535 115 HD22 LEU 18 HD22 LEU 18 14.291 -5.887 10.396 116 HD23 LEU 18 HD23 LEU 18 12.598 -6.358 10.259 117 H CYS 19 HN CYS 19 12.612 -3.400 5.101 118 HA CYS 19 HA CYS 19 14.314 -2.338 3.976 119 HB2 CYS 19 HB2 CYS 19 14.032 -0.793 6.361 120 HB3 CYS 19 HB1 CYS 19 15.752 -1.001 6.031 121 H VAL 20 HN VAL 20 14.899 -4.718 4.082 122 HA VAL 20 HA VAL 20 16.904 -5.669 5.824 123 HB VAL 20 HB VAL 20 16.461 -6.576 2.977 124 HG11 VAL 20 HG11 VAL 20 16.851 -8.785 4.511 125 HG12 VAL 20 HG12 VAL 20 17.814 -7.608 5.404 126 HG13 VAL 20 HG13 VAL 20 18.160 -7.920 3.704 127 HG21 VAL 20 HG21 VAL 20 14.693 -8.028 3.847 128 HG22 VAL 20 HG22 VAL 20 14.292 -6.346 4.195 129 HG23 VAL 20 HG23 VAL 20 14.930 -7.382 5.471 130 H ARG 21 HN ARG 21 17.071 -4.187 2.600 131 HA ARG 21 HA ARG 21 19.887 -4.404 2.310 132 HB2 ARG 21 HB2 ARG 21 18.338 -4.004 0.417 133 HB3 ARG 21 HB1 ARG 21 18.004 -2.392 1.053 134 HG2 ARG 21 HG2 ARG 21 20.407 -1.829 0.865 135 HG3 ARG 21 HG1 ARG 21 20.721 -3.428 0.191 136 HD2 ARG 21 HD2 ARG 21 18.798 -1.427 -1.024 137 HD3 ARG 21 HD1 ARG 21 20.468 -1.628 -1.547 138 HE ARG 21 HE ARG 21 19.217 -4.150 -1.602 139 HH11 ARG 21 HH11 ARG 21 19.088 -1.052 -3.140 140 HH12 ARG 21 HH12 ARG 21 18.526 -1.674 -4.656 141 HH21 ARG 21 HH21 ARG 21 18.478 -4.973 -3.587 142 HH22 ARG 21 HH22 ARG 21 18.179 -3.893 -4.907 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 21.331 0.747 -1.680 2 H2 ALA 1 HT2 ALA 1 21.646 0.841 -3.348 3 H3 ALA 1 HT3 ALA 1 21.178 2.230 -2.489 4 HA ALA 1 HA ALA 1 23.371 1.395 -1.127 5 HB1 ALA 1 HB1 ALA 1 23.671 -0.195 -3.127 6 HB2 ALA 1 HB2 ALA 1 25.051 0.821 -2.709 7 HB3 ALA 1 HB3 ALA 1 24.022 1.251 -4.075 8 H GLY 2 HN GLY 2 22.382 3.088 -4.095 9 HA2 GLY 2 HA2 GLY 2 24.133 5.291 -3.843 10 HA3 GLY 2 HA1 GLY 2 22.633 5.275 -4.768 11 H GLY 3 HN GLY 3 20.903 4.662 -2.567 12 HA2 GLY 3 HA2 GLY 3 20.365 5.648 -0.388 13 HA3 GLY 3 HA1 GLY 3 21.145 7.125 -0.945 14 H DBU 4 HN DHB 4 18.339 5.026 -1.359 15 HB DBU 4 HB DHB 4 15.351 6.459 -3.564 16 HG1 DBU 4 HG1 DHB 4 17.442 4.461 -4.285 17 HG2 DBU 4 HG2 DHB 4 17.878 6.039 -4.937 18 HG3 DBU 4 HG3 DHB 4 16.377 5.264 -5.439 19 H ILE 5 HN ILE 5 14.636 5.648 -1.446 20 HA ILE 5 HA ILE 5 14.602 7.266 0.918 21 HB ILE 5 HB ILE 5 12.668 8.031 -1.278 22 HG12 ILE 5 HG12 ILE 5 15.045 8.841 -1.665 23 HG13 ILE 5 HG11 ILE 5 13.859 10.125 -1.455 24 HG21 ILE 5 HG21 ILE 5 13.089 8.789 1.598 25 HG22 ILE 5 HG22 ILE 5 11.584 8.426 0.753 26 HG23 ILE 5 HG23 ILE 5 12.399 9.966 0.479 27 HD11 ILE 5 HD11 ILE 5 15.018 9.220 1.082 28 HD12 ILE 5 HD12 ILE 5 14.817 10.859 0.459 29 HD13 ILE 5 HD13 ILE 5 16.214 9.895 -0.025 30 HA PRO 6 HA PRO 6 10.460 4.886 0.404 31 HB2 PRO 6 HB2 PRO 6 10.853 3.077 -1.872 32 HB3 PRO 6 HB1 PRO 6 9.534 4.220 -1.563 33 HG2 PRO 6 HG2 PRO 6 11.357 4.602 -3.502 34 HG3 PRO 6 HG1 PRO 6 10.593 5.942 -2.624 35 HD2 PRO 6 HD2 PRO 6 13.320 4.740 -2.225 36 HD3 PRO 6 HD1 PRO 6 12.834 6.441 -2.216 37 H DAL 7 HN DAL 7 13.597 3.623 -0.019 38 HA DAL 7 HA DAL 7 13.014 0.934 0.820 39 HB1 DAL 7 HB2 DAL 7 14.731 1.976 2.860 40 HB2 DAL 7 HB3 DAL 7 13.196 1.134 3.036 41 H LEU 8 HN LEU 8 14.754 2.859 -0.994 42 HA LEU 8 HA LEU 8 16.893 1.019 -1.309 43 HB2 LEU 8 HB2 LEU 8 16.851 3.898 -2.257 44 HB3 LEU 8 HB1 LEU 8 17.740 2.547 -2.960 45 HG LEU 8 HG LEU 8 14.802 3.156 -3.083 46 HD11 LEU 8 HD11 LEU 8 15.546 3.644 -5.162 47 HD12 LEU 8 HD12 LEU 8 15.607 1.900 -5.402 48 HD13 LEU 8 HD13 LEU 8 17.059 2.773 -4.916 49 HD21 LEU 8 HD21 LEU 8 14.505 0.981 -2.328 50 HD22 LEU 8 HD22 LEU 8 16.066 0.439 -2.941 51 HD23 LEU 8 HD23 LEU 8 14.718 0.685 -4.052 52 H MET 9 HN MET 9 16.416 3.932 0.537 53 HA MET 9 HA MET 9 19.096 4.468 1.272 54 HB2 MET 9 HB2 MET 9 16.576 5.002 2.863 55 HB3 MET 9 HB1 MET 9 18.118 5.843 3.022 56 HG2 MET 9 HG2 MET 9 17.756 6.310 0.447 57 HG3 MET 9 HG1 MET 9 16.066 5.999 0.851 58 HE1 MET 9 HE1 MET 9 15.749 7.996 4.048 59 HE2 MET 9 HE2 MET 9 15.328 6.572 3.102 60 HE3 MET 9 HE3 MET 9 14.609 8.129 2.700 61 H DBB 10 HN DBB 10 16.543 2.467 2.739 62 HA DBB 10 HA DBB 10 18.606 1.238 4.470 63 HB2 DBB 10 HB2 DBB 10 17.437 -0.119 2.601 64 HG1 DBB 10 HG1 DBB 10 15.325 -1.219 3.768 65 HG2 DBB 10 HG2 DBB 10 15.178 0.204 2.756 66 HG3 DBB 10 HG3 DBB 10 15.204 0.369 4.499 67 H GLY 11 HN GLY 11 15.404 2.575 4.288 68 HA2 GLY 11 HA2 GLY 11 14.654 1.816 6.951 69 HA3 GLY 11 HA1 GLY 11 15.199 3.478 6.819 70 H CYS 12 HN CYS 12 12.882 1.156 5.474 71 HA CYS 12 HA CYS 12 10.779 3.148 5.468 72 HB2 CYS 12 HB2 CYS 12 11.151 1.919 2.821 73 HB3 CYS 12 HB1 CYS 12 10.520 3.507 3.226 74 H GLY 13 HN GLY 13 9.241 1.860 3.455 75 HA2 GLY 13 HA2 GLY 13 8.785 -0.841 4.549 76 HA3 GLY 13 HA1 GLY 13 7.457 0.292 4.362 77 H TRP 14 HN TRP 14 9.961 0.448 2.046 78 HA TRP 14 HA TRP 14 8.428 0.231 -0.200 79 HB2 TRP 14 HB2 TRP 14 10.514 -0.387 -1.386 80 HB3 TRP 14 HB1 TRP 14 10.742 0.950 -0.286 81 HD1 TRP 14 HD1 TRP 14 10.617 -1.379 2.207 82 HE1 TRP 14 HE1 TRP 14 12.854 -2.535 2.744 83 HE3 TRP 14 HE3 TRP 14 13.196 -0.337 -2.072 84 HZ2 TRP 14 HZ2 TRP 14 15.400 -2.967 1.521 85 HZ3 TRP 14 HZ3 TRP 14 15.522 -1.139 -2.362 86 HH2 TRP 14 HH2 TRP 14 16.628 -2.452 -0.573 87 H LEU 15 HN LEU 15 10.592 -2.291 -0.635 88 HA LEU 15 HA LEU 15 8.403 -4.217 -0.789 89 HB2 LEU 15 HB2 LEU 15 10.439 -5.495 -1.954 90 HB3 LEU 15 HB1 LEU 15 9.464 -4.313 -2.825 91 HG LEU 15 HG LEU 15 11.930 -3.487 -1.287 92 HD11 LEU 15 HD11 LEU 15 12.620 -3.534 -3.980 93 HD12 LEU 15 HD12 LEU 15 11.755 -5.052 -3.740 94 HD13 LEU 15 HD13 LEU 15 13.163 -4.673 -2.749 95 HD21 LEU 15 HD21 LEU 15 11.063 -2.162 -3.810 96 HD22 LEU 15 HD22 LEU 15 11.664 -1.444 -2.315 97 HD23 LEU 15 HD23 LEU 15 9.983 -1.964 -2.430 98 H DBU 16 HN DHB 16 11.384 -3.530 0.901 99 HB DBU 16 HB DHB 16 13.088 -6.309 3.181 100 HG1 DBU 16 HG1 DHB 16 14.737 -5.938 1.398 101 HG2 DBU 16 HG2 DHB 16 13.497 -5.288 0.327 102 HG3 DBU 16 HG3 DHB 16 13.556 -7.018 0.659 103 H GLY 17 HN GLY 17 11.167 -3.006 3.514 104 HA2 GLY 17 HA2 GLY 17 9.317 -2.539 4.974 105 HA3 GLY 17 HA1 GLY 17 9.202 -4.259 5.320 106 H LEU 18 HN LEU 18 12.246 -4.305 5.502 107 HA LEU 18 HA LEU 18 12.728 -2.777 7.945 108 HB2 LEU 18 HB2 LEU 18 12.601 -5.782 7.833 109 HB3 LEU 18 HB1 LEU 18 13.599 -4.950 9.027 110 HG LEU 18 HG LEU 18 11.329 -3.555 9.350 111 HD11 LEU 18 HD11 LEU 18 9.398 -4.663 8.793 112 HD12 LEU 18 HD12 LEU 18 10.126 -6.254 9.013 113 HD13 LEU 18 HD13 LEU 18 10.433 -5.340 7.535 114 HD21 LEU 18 HD21 LEU 18 11.036 -4.770 11.349 115 HD22 LEU 18 HD22 LEU 18 12.732 -5.051 10.956 116 HD23 LEU 18 HD23 LEU 18 11.529 -6.291 10.602 117 H CYS 19 HN CYS 19 13.812 -2.643 5.298 118 HA CYS 19 HA CYS 19 15.801 -2.906 4.101 119 HB2 CYS 19 HB2 CYS 19 15.969 -0.933 5.783 120 HB3 CYS 19 HB1 CYS 19 17.061 -1.989 6.674 121 H VAL 20 HN VAL 20 16.203 -5.016 3.696 122 HA VAL 20 HA VAL 20 17.761 -6.506 5.711 123 HB VAL 20 HB VAL 20 16.577 -7.882 3.349 124 HG11 VAL 20 HG11 VAL 20 17.813 -8.567 5.794 125 HG12 VAL 20 HG12 VAL 20 17.077 -9.668 4.627 126 HG13 VAL 20 HG13 VAL 20 16.119 -9.029 5.963 127 HG21 VAL 20 HG21 VAL 20 14.690 -6.520 3.977 128 HG22 VAL 20 HG22 VAL 20 15.003 -6.776 5.694 129 HG23 VAL 20 HG23 VAL 20 14.426 -8.109 4.696 130 H ARG 21 HN ARG 21 17.937 -4.891 2.740 131 HA ARG 21 HA ARG 21 19.556 -6.136 1.026 132 HB2 ARG 21 HB2 ARG 21 20.658 -4.051 0.521 133 HB3 ARG 21 HB1 ARG 21 18.991 -3.680 0.967 134 HG2 ARG 21 HG2 ARG 21 19.746 -3.183 3.283 135 HG3 ARG 21 HG1 ARG 21 21.411 -3.488 2.787 136 HD2 ARG 21 HD2 ARG 21 19.605 -1.397 1.545 137 HD3 ARG 21 HD1 ARG 21 20.829 -1.062 2.764 138 HE ARG 21 HE ARG 21 21.294 -1.659 -0.041 139 HH11 ARG 21 HH11 ARG 21 22.556 -1.531 3.178 140 HH12 ARG 21 HH12 ARG 21 24.207 -1.383 2.674 141 HH21 ARG 21 HH21 ARG 21 23.456 -1.459 -0.711 142 HH22 ARG 21 HH22 ARG 21 24.716 -1.342 0.472 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 18.635 3.367 -11.658 2 H2 ALA 1 HT2 ALA 1 18.832 1.821 -12.332 3 H3 ALA 1 HT3 ALA 1 20.175 2.659 -11.714 4 HA ALA 1 HA ALA 1 19.004 0.786 -10.333 5 HB1 ALA 1 HB1 ALA 1 19.488 2.776 -8.394 6 HB2 ALA 1 HB2 ALA 1 20.565 3.147 -9.739 7 HB3 ALA 1 HB3 ALA 1 20.625 1.559 -8.975 8 H GLY 2 HN GLY 2 18.017 1.714 -7.891 9 HA2 GLY 2 HA2 GLY 2 15.227 2.133 -8.584 10 HA3 GLY 2 HA1 GLY 2 15.869 1.800 -6.979 11 H GLY 3 HN GLY 3 14.150 3.587 -6.636 12 HA2 GLY 3 HA2 GLY 3 14.659 6.258 -7.379 13 HA3 GLY 3 HA1 GLY 3 13.681 5.751 -6.006 14 H DBU 4 HN DHB 4 15.639 4.388 -4.504 15 HB DBU 4 HB DHB 4 19.092 5.638 -2.850 16 HG1 DBU 4 HG1 DHB 4 18.258 4.317 -5.498 17 HG2 DBU 4 HG2 DHB 4 19.488 3.631 -4.432 18 HG3 DBU 4 HG3 DHB 4 19.802 5.144 -5.286 19 H ILE 5 HN ILE 5 14.769 5.369 -2.795 20 HA ILE 5 HA ILE 5 15.130 6.943 -0.399 21 HB ILE 5 HB ILE 5 13.654 7.912 -2.773 22 HG12 ILE 5 HG12 ILE 5 14.306 10.076 -1.447 23 HG13 ILE 5 HG11 ILE 5 15.373 8.994 -0.560 24 HG21 ILE 5 HG21 ILE 5 12.354 9.392 -1.053 25 HG22 ILE 5 HG22 ILE 5 12.681 8.074 0.074 26 HG23 ILE 5 HG23 ILE 5 11.749 7.770 -1.393 27 HD11 ILE 5 HD11 ILE 5 16.858 9.204 -2.233 28 HD12 ILE 5 HD12 ILE 5 15.702 10.113 -3.208 29 HD13 ILE 5 HD13 ILE 5 15.720 8.351 -3.279 30 HA PRO 6 HA PRO 6 10.652 5.001 -0.545 31 HB2 PRO 6 HB2 PRO 6 11.277 2.734 -2.370 32 HB3 PRO 6 HB1 PRO 6 9.794 3.701 -2.234 33 HG2 PRO 6 HG2 PRO 6 11.461 4.052 -4.279 34 HG3 PRO 6 HG1 PRO 6 10.610 5.415 -3.530 35 HD2 PRO 6 HD2 PRO 6 13.471 4.620 -3.253 36 HD3 PRO 6 HD1 PRO 6 12.755 6.234 -3.285 37 H DAL 7 HN DAL 7 13.596 3.140 -1.019 38 HA DAL 7 HA DAL 7 13.146 0.889 0.435 39 HB1 DAL 7 HB2 DAL 7 13.244 3.283 2.110 40 HB2 DAL 7 HB3 DAL 7 14.248 1.950 2.665 41 H LEU 8 HN LEU 8 15.113 2.720 -1.291 42 HA LEU 8 HA LEU 8 17.325 0.978 -1.049 43 HB2 LEU 8 HB2 LEU 8 17.418 3.767 -2.193 44 HB3 LEU 8 HB1 LEU 8 18.415 2.384 -2.635 45 HG LEU 8 HG LEU 8 15.560 2.970 -3.336 46 HD11 LEU 8 HD11 LEU 8 16.716 3.297 -5.261 47 HD12 LEU 8 HD12 LEU 8 16.753 1.538 -5.365 48 HD13 LEU 8 HD13 LEU 8 18.120 2.408 -4.671 49 HD21 LEU 8 HD21 LEU 8 15.616 0.424 -4.097 50 HD22 LEU 8 HD22 LEU 8 15.091 0.861 -2.471 51 HD23 LEU 8 HD23 LEU 8 16.732 0.272 -2.740 52 H MET 9 HN MET 9 16.391 3.890 0.551 53 HA MET 9 HA MET 9 18.883 4.755 1.547 54 HB2 MET 9 HB2 MET 9 16.213 4.989 2.953 55 HB3 MET 9 HB1 MET 9 17.596 6.071 3.082 56 HG2 MET 9 HG2 MET 9 17.351 6.511 0.598 57 HG3 MET 9 HG1 MET 9 15.811 5.659 0.697 58 HE1 MET 9 HE1 MET 9 14.540 5.872 2.772 59 HE2 MET 9 HE2 MET 9 13.441 7.152 2.261 60 HE3 MET 9 HE3 MET 9 14.335 7.317 3.770 61 H DBB 10 HN DBB 10 16.494 2.421 2.725 62 HA DBB 10 HA DBB 10 18.534 1.361 4.563 63 HB2 DBB 10 HB2 DBB 10 17.376 -0.020 2.703 64 HG1 DBB 10 HG1 DBB 10 15.311 -1.170 3.676 65 HG2 DBB 10 HG2 DBB 10 15.122 0.446 3.003 66 HG3 DBB 10 HG3 DBB 10 15.202 0.224 4.747 67 H GLY 11 HN GLY 11 15.149 2.380 4.421 68 HA2 GLY 11 HA2 GLY 11 14.538 1.699 7.112 69 HA3 GLY 11 HA1 GLY 11 15.088 3.361 7.005 70 H CYS 12 HN CYS 12 12.829 1.152 5.354 71 HA CYS 12 HA CYS 12 10.698 3.161 5.549 72 HB2 CYS 12 HB2 CYS 12 10.261 3.007 3.135 73 HB3 CYS 12 HB1 CYS 12 11.895 3.608 3.428 74 H GLY 13 HN GLY 13 9.028 1.948 3.685 75 HA2 GLY 13 HA2 GLY 13 8.531 -0.733 4.831 76 HA3 GLY 13 HA1 GLY 13 7.247 0.396 4.412 77 H TRP 14 HN TRP 14 9.756 0.712 2.271 78 HA TRP 14 HA TRP 14 8.438 0.092 -0.035 79 HB2 TRP 14 HB2 TRP 14 10.545 0.106 -1.110 80 HB3 TRP 14 HB1 TRP 14 10.794 1.094 0.325 81 HD1 TRP 14 HD1 TRP 14 10.871 -1.357 2.370 82 HE1 TRP 14 HE1 TRP 14 13.006 -2.796 2.517 83 HE3 TRP 14 HE3 TRP 14 12.963 -0.276 -2.152 84 HZ2 TRP 14 HZ2 TRP 14 15.298 -3.404 0.920 85 HZ3 TRP 14 HZ3 TRP 14 15.122 -1.295 -2.815 86 HH2 TRP 14 HH2 TRP 14 16.293 -2.855 -1.285 87 H LEU 15 HN LEU 15 9.305 -1.793 -1.561 88 HA LEU 15 HA LEU 15 8.058 -4.085 -1.214 89 HB2 LEU 15 HB2 LEU 15 10.045 -5.289 -2.282 90 HB3 LEU 15 HB1 LEU 15 9.416 -3.887 -3.148 91 HG LEU 15 HG LEU 15 11.660 -3.607 -1.154 92 HD11 LEU 15 HD11 LEU 15 11.848 -5.199 -3.417 93 HD12 LEU 15 HD12 LEU 15 13.201 -4.431 -2.584 94 HD13 LEU 15 HD13 LEU 15 12.454 -3.637 -3.971 95 HD21 LEU 15 HD21 LEU 15 12.042 -1.771 -3.133 96 HD22 LEU 15 HD22 LEU 15 11.080 -1.467 -1.690 97 HD23 LEU 15 HD23 LEU 15 10.288 -1.941 -3.187 98 H DBU 16 HN DHB 16 11.014 -3.255 0.559 99 HB DBU 16 HB DHB 16 12.465 -6.033 3.068 100 HG1 DBU 16 HG1 DHB 16 12.299 -6.312 0.074 101 HG2 DBU 16 HG2 DHB 16 13.381 -7.162 1.178 102 HG3 DBU 16 HG3 DHB 16 13.758 -5.517 0.668 103 H GLY 17 HN GLY 17 11.896 -2.932 3.632 104 HA2 GLY 17 HA2 GLY 17 10.104 -1.705 4.938 105 HA3 GLY 17 HA1 GLY 17 9.554 -3.311 5.401 106 H LEU 18 HN LEU 18 12.015 -4.562 5.836 107 HA LEU 18 HA LEU 18 12.948 -3.108 8.233 108 HB2 LEU 18 HB2 LEU 18 12.902 -6.065 7.594 109 HB3 LEU 18 HB1 LEU 18 13.699 -5.377 9.010 110 HG LEU 18 HG LEU 18 10.775 -4.926 8.355 111 HD11 LEU 18 HD11 LEU 18 11.985 -6.845 10.369 112 HD12 LEU 18 HD12 LEU 18 11.303 -7.333 8.817 113 HD13 LEU 18 HD13 LEU 18 10.268 -6.603 10.046 114 HD21 LEU 18 HD21 LEU 18 12.522 -3.592 10.070 115 HD22 LEU 18 HD22 LEU 18 11.678 -4.724 11.128 116 HD23 LEU 18 HD23 LEU 18 10.761 -3.567 10.164 117 H CYS 19 HN CYS 19 13.923 -2.652 5.513 118 HA CYS 19 HA CYS 19 15.878 -2.879 4.219 119 HB2 CYS 19 HB2 CYS 19 16.006 -0.926 5.930 120 HB3 CYS 19 HB1 CYS 19 17.164 -1.952 6.771 121 H VAL 20 HN VAL 20 15.963 -5.201 4.091 122 HA VAL 20 HA VAL 20 17.785 -6.536 5.971 123 HB VAL 20 HB VAL 20 17.064 -8.591 4.647 124 HG11 VAL 20 HG11 VAL 20 14.901 -8.707 5.797 125 HG12 VAL 20 HG12 VAL 20 14.894 -6.955 5.997 126 HG13 VAL 20 HG13 VAL 20 16.093 -7.934 6.843 127 HG21 VAL 20 HG21 VAL 20 16.326 -7.267 2.643 128 HG22 VAL 20 HG22 VAL 20 14.989 -6.636 3.603 129 HG23 VAL 20 HG23 VAL 20 15.082 -8.360 3.247 130 H ARG 21 HN ARG 21 17.924 -4.874 3.092 131 HA ARG 21 HA ARG 21 19.418 -6.171 1.263 132 HB2 ARG 21 HB2 ARG 21 20.407 -4.107 0.647 133 HB3 ARG 21 HB1 ARG 21 18.838 -3.689 1.339 134 HG2 ARG 21 HG2 ARG 21 19.901 -3.206 3.499 135 HG3 ARG 21 HG1 ARG 21 21.472 -3.652 2.834 136 HD2 ARG 21 HD2 ARG 21 20.710 -1.844 0.985 137 HD3 ARG 21 HD1 ARG 21 19.851 -1.204 2.386 138 HE ARG 21 HE ARG 21 22.493 -1.804 3.146 139 HH11 ARG 21 HH11 ARG 21 20.686 0.350 1.129 140 HH12 ARG 21 HH12 ARG 21 21.835 1.641 1.239 141 HH21 ARG 21 HH21 ARG 21 24.014 -0.118 3.284 142 HH22 ARG 21 HH22 ARG 21 23.720 1.376 2.459 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 12.026 7.423 -12.632 2 H2 ALA 1 HT2 ALA 1 13.435 6.549 -13.001 3 H3 ALA 1 HT3 ALA 1 13.368 7.505 -11.599 4 HA ALA 1 HA ALA 1 11.625 6.073 -10.697 5 HB1 ALA 1 HB1 ALA 1 12.199 4.513 -13.232 6 HB2 ALA 1 HB2 ALA 1 10.674 5.280 -12.791 7 HB3 ALA 1 HB3 ALA 1 11.260 3.890 -11.876 8 H GLY 2 HN GLY 2 14.292 6.721 -10.248 9 HA2 GLY 2 HA2 GLY 2 16.088 4.542 -10.290 10 HA3 GLY 2 HA1 GLY 2 16.201 5.939 -9.223 11 H GLY 3 HN GLY 3 13.707 5.612 -7.897 12 HA2 GLY 3 HA2 GLY 3 12.634 4.363 -6.258 13 HA3 GLY 3 HA1 GLY 3 13.589 2.966 -6.744 14 H DBU 4 HN DHB 4 15.357 5.849 -6.138 15 HB DBU 4 HB DHB 4 18.044 5.440 -3.183 16 HG1 DBU 4 HG1 DHB 4 17.562 3.619 -5.625 17 HG2 DBU 4 HG2 DHB 4 18.851 3.434 -4.435 18 HG3 DBU 4 HG3 DHB 4 18.950 4.708 -5.651 19 H ILE 5 HN ILE 5 15.039 4.923 -2.173 20 HA ILE 5 HA ILE 5 15.106 6.902 -0.426 21 HB ILE 5 HB ILE 5 13.712 7.886 -2.844 22 HG12 ILE 5 HG12 ILE 5 15.929 8.669 -1.676 23 HG13 ILE 5 HG11 ILE 5 14.816 9.879 -2.308 24 HG21 ILE 5 HG21 ILE 5 12.371 9.470 -1.309 25 HG22 ILE 5 HG22 ILE 5 12.673 8.295 -0.027 26 HG23 ILE 5 HG23 ILE 5 11.762 7.823 -1.463 27 HD11 ILE 5 HD11 ILE 5 15.713 10.232 0.094 28 HD12 ILE 5 HD12 ILE 5 14.628 8.918 0.550 29 HD13 ILE 5 HD13 ILE 5 13.975 10.399 -0.152 30 HA PRO 6 HA PRO 6 10.508 5.194 -0.483 31 HB2 PRO 6 HB2 PRO 6 10.927 2.963 -2.400 32 HB3 PRO 6 HB1 PRO 6 9.542 4.060 -2.224 33 HG2 PRO 6 HG2 PRO 6 11.227 4.322 -4.270 34 HG3 PRO 6 HG1 PRO 6 10.523 5.735 -3.466 35 HD2 PRO 6 HD2 PRO 6 13.293 4.622 -3.203 36 HD3 PRO 6 HD1 PRO 6 12.749 6.310 -3.235 37 H DAL 7 HN DAL 7 13.467 3.468 -0.732 38 HA DAL 7 HA DAL 7 12.928 1.024 0.410 39 HB1 DAL 7 HB2 DAL 7 12.978 3.258 2.336 40 HB2 DAL 7 HB3 DAL 7 13.859 1.811 2.795 41 H LEU 8 HN LEU 8 14.795 2.744 -1.247 42 HA LEU 8 HA LEU 8 17.110 1.233 -1.069 43 HB2 LEU 8 HB2 LEU 8 16.494 3.965 -2.150 44 HB3 LEU 8 HB1 LEU 8 18.132 3.321 -2.221 45 HG LEU 8 HG LEU 8 16.466 2.933 -4.217 46 HD11 LEU 8 HD11 LEU 8 17.593 0.355 -3.869 47 HD12 LEU 8 HD12 LEU 8 18.691 1.510 -3.108 48 HD13 LEU 8 HD13 LEU 8 18.242 1.703 -4.802 49 HD21 LEU 8 HD21 LEU 8 14.648 1.962 -2.870 50 HD22 LEU 8 HD22 LEU 8 15.732 0.691 -2.304 51 HD23 LEU 8 HD23 LEU 8 15.270 0.766 -4.005 52 H MET 9 HN MET 9 16.111 4.058 0.712 53 HA MET 9 HA MET 9 18.608 4.872 1.731 54 HB2 MET 9 HB2 MET 9 15.941 5.027 3.142 55 HB3 MET 9 HB1 MET 9 17.327 6.089 3.367 56 HG2 MET 9 HG2 MET 9 16.558 5.987 0.576 57 HG3 MET 9 HG1 MET 9 15.193 6.460 1.594 58 HE1 MET 9 HE1 MET 9 18.912 6.741 1.198 59 HE2 MET 9 HE2 MET 9 19.280 8.465 1.202 60 HE3 MET 9 HE3 MET 9 18.416 7.759 -0.161 61 H DBB 10 HN DBB 10 16.227 2.497 2.860 62 HA DBB 10 HA DBB 10 18.289 1.362 4.639 63 HB2 DBB 10 HB2 DBB 10 17.169 0.022 2.756 64 HG1 DBB 10 HG1 DBB 10 14.916 0.454 2.909 65 HG2 DBB 10 HG2 DBB 10 14.889 0.358 4.659 66 HG3 DBB 10 HG3 DBB 10 15.030 -1.096 3.694 67 H GLY 11 HN GLY 11 14.956 2.443 4.496 68 HA2 GLY 11 HA2 GLY 11 14.320 1.659 7.167 69 HA3 GLY 11 HA1 GLY 11 14.778 3.348 7.065 70 H CYS 12 HN CYS 12 12.586 0.969 5.558 71 HA CYS 12 HA CYS 12 10.347 2.795 5.741 72 HB2 CYS 12 HB2 CYS 12 9.924 2.983 3.381 73 HB3 CYS 12 HB1 CYS 12 11.584 3.499 3.662 74 H GLY 13 HN GLY 13 8.723 1.698 3.853 75 HA2 GLY 13 HA2 GLY 13 8.508 -1.152 4.611 76 HA3 GLY 13 HA1 GLY 13 7.118 -0.084 4.511 77 H TRP 14 HN TRP 14 9.620 0.371 2.221 78 HA TRP 14 HA TRP 14 8.087 0.238 -0.047 79 HB2 TRP 14 HB2 TRP 14 10.201 -0.139 -1.280 80 HB3 TRP 14 HB1 TRP 14 10.373 1.099 -0.055 81 HD1 TRP 14 HD1 TRP 14 10.455 -1.219 2.305 82 HE1 TRP 14 HE1 TRP 14 12.704 -2.401 2.706 83 HE3 TRP 14 HE3 TRP 14 12.763 -0.205 -2.116 84 HZ2 TRP 14 HZ2 TRP 14 15.167 -2.857 1.325 85 HZ3 TRP 14 HZ3 TRP 14 15.053 -1.024 -2.556 86 HH2 TRP 14 HH2 TRP 14 16.262 -2.344 -0.844 87 H LEU 15 HN LEU 15 10.392 -2.076 -0.711 88 HA LEU 15 HA LEU 15 8.357 -4.128 -1.058 89 HB2 LEU 15 HB2 LEU 15 10.662 -5.204 -2.040 90 HB3 LEU 15 HB1 LEU 15 9.549 -4.221 -2.989 91 HG LEU 15 HG LEU 15 11.796 -2.994 -1.379 92 HD11 LEU 15 HD11 LEU 15 11.886 -4.453 -3.941 93 HD12 LEU 15 HD12 LEU 15 13.184 -4.076 -2.809 94 HD13 LEU 15 HD13 LEU 15 12.647 -2.862 -3.969 95 HD21 LEU 15 HD21 LEU 15 9.663 -1.780 -2.490 96 HD22 LEU 15 HD22 LEU 15 10.710 -1.833 -3.907 97 HD23 LEU 15 HD23 LEU 15 11.253 -1.018 -2.442 98 H DBU 16 HN DHB 16 11.444 -3.610 0.644 99 HB DBU 16 HB DHB 16 12.907 -6.534 2.883 100 HG1 DBU 16 HG1 DHB 16 13.514 -7.360 0.559 101 HG2 DBU 16 HG2 DHB 16 14.511 -5.965 0.971 102 HG3 DBU 16 HG3 DHB 16 13.116 -5.769 -0.090 103 H GLY 17 HN GLY 17 11.516 -3.156 3.465 104 HA2 GLY 17 HA2 GLY 17 9.511 -2.642 4.870 105 HA3 GLY 17 HA1 GLY 17 9.563 -4.332 5.354 106 H LEU 18 HN LEU 18 11.981 -4.934 6.037 107 HA LEU 18 HA LEU 18 12.633 -3.047 8.197 108 HB2 LEU 18 HB2 LEU 18 13.334 -5.965 7.820 109 HB3 LEU 18 HB1 LEU 18 13.878 -4.974 9.174 110 HG LEU 18 HG LEU 18 10.971 -5.437 8.449 111 HD11 LEU 18 HD11 LEU 18 12.870 -6.837 10.303 112 HD12 LEU 18 HD12 LEU 18 11.604 -7.516 9.283 113 HD13 LEU 18 HD13 LEU 18 11.180 -6.678 10.775 114 HD21 LEU 18 HD21 LEU 18 11.098 -4.640 11.071 115 HD22 LEU 18 HD22 LEU 18 10.785 -3.554 9.719 116 HD23 LEU 18 HD23 LEU 18 12.419 -3.713 10.362 117 H CYS 19 HN CYS 19 13.574 -3.493 5.145 118 HA CYS 19 HA CYS 19 15.439 -2.795 3.992 119 HB2 CYS 19 HB2 CYS 19 15.562 -1.044 5.826 120 HB3 CYS 19 HB1 CYS 19 16.648 -2.129 6.676 121 H VAL 20 HN VAL 20 15.653 -5.080 3.529 122 HA VAL 20 HA VAL 20 17.255 -6.815 5.090 123 HB VAL 20 HB VAL 20 16.669 -6.873 2.121 124 HG11 VAL 20 HG11 VAL 20 17.031 -9.462 3.117 125 HG12 VAL 20 HG12 VAL 20 18.322 -8.522 3.863 126 HG13 VAL 20 HG13 VAL 20 18.165 -8.564 2.108 127 HG21 VAL 20 HG21 VAL 20 14.610 -6.942 3.380 128 HG22 VAL 20 HG22 VAL 20 15.298 -8.076 4.543 129 HG23 VAL 20 HG23 VAL 20 14.974 -8.599 2.890 130 H ARG 21 HN ARG 21 18.001 -4.734 2.300 131 HA ARG 21 HA ARG 21 20.654 -5.471 1.889 132 HB2 ARG 21 HB2 ARG 21 19.385 -3.955 0.403 133 HB3 ARG 21 HB1 ARG 21 19.469 -2.695 1.637 134 HG2 ARG 21 HG2 ARG 21 21.932 -2.747 1.533 135 HG3 ARG 21 HG1 ARG 21 21.856 -4.012 0.306 136 HD2 ARG 21 HD2 ARG 21 20.624 -2.491 -1.193 137 HD3 ARG 21 HD1 ARG 21 20.688 -1.226 0.032 138 HE ARG 21 HE ARG 21 22.918 -2.168 -1.616 139 HH11 ARG 21 HH11 ARG 21 21.736 -0.267 1.023 140 HH12 ARG 21 HH12 ARG 21 23.125 0.766 1.083 141 HH21 ARG 21 HH21 ARG 21 24.745 -0.816 -1.543 142 HH22 ARG 21 HH22 ARG 21 24.829 0.455 -0.370 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 16.228 9.795 -11.777 2 H2 ALA 1 HT2 ALA 1 16.423 10.887 -10.489 3 H3 ALA 1 HT3 ALA 1 15.818 11.428 -11.982 4 HA ALA 1 HA ALA 1 14.290 10.787 -9.879 5 HB1 ALA 1 HB1 ALA 1 12.919 10.143 -12.348 6 HB2 ALA 1 HB2 ALA 1 13.979 11.535 -12.577 7 HB3 ALA 1 HB3 ALA 1 12.743 11.566 -11.319 8 H GLY 2 HN GLY 2 13.132 9.050 -9.112 9 HA2 GLY 2 HA2 GLY 2 12.388 6.858 -8.913 10 HA3 GLY 2 HA1 GLY 2 13.057 6.520 -10.505 11 H GLY 3 HN GLY 3 15.233 8.062 -8.397 12 HA2 GLY 3 HA2 GLY 3 17.086 5.930 -8.427 13 HA3 GLY 3 HA1 GLY 3 17.194 7.368 -7.416 14 H DBU 4 HN DHB 4 14.709 6.988 -6.026 15 HB DBU 4 HB DHB 4 13.936 3.965 -3.382 16 HG1 DBU 4 HG1 DHB 4 14.195 3.761 -6.447 17 HG2 DBU 4 HG2 DHB 4 13.204 2.697 -5.447 18 HG3 DBU 4 HG3 DHB 4 14.961 2.537 -5.437 19 H ILE 5 HN ILE 5 14.299 4.919 -2.238 20 HA ILE 5 HA ILE 5 15.517 6.640 -0.642 21 HB ILE 5 HB ILE 5 13.601 8.114 -2.257 22 HG12 ILE 5 HG12 ILE 5 16.046 8.554 -0.602 23 HG13 ILE 5 HG11 ILE 5 15.706 9.063 -2.252 24 HG21 ILE 5 HG21 ILE 5 12.680 9.497 -0.456 25 HG22 ILE 5 HG22 ILE 5 13.520 8.526 0.752 26 HG23 ILE 5 HG23 ILE 5 12.217 7.815 -0.199 27 HD11 ILE 5 HD11 ILE 5 13.891 10.580 -0.962 28 HD12 ILE 5 HD12 ILE 5 15.548 11.118 -1.243 29 HD13 ILE 5 HD13 ILE 5 15.096 10.431 0.319 30 HA PRO 6 HA PRO 6 11.090 5.611 1.214 31 HB2 PRO 6 HB2 PRO 6 10.465 3.416 -0.699 32 HB3 PRO 6 HB1 PRO 6 9.380 4.601 0.050 33 HG2 PRO 6 HG2 PRO 6 10.073 4.824 -2.504 34 HG3 PRO 6 HG1 PRO 6 9.912 6.256 -1.471 35 HD2 PRO 6 HD2 PRO 6 12.403 4.904 -2.422 36 HD3 PRO 6 HD1 PRO 6 12.080 6.633 -2.176 37 H DAL 7 HN DAL 7 12.696 3.009 -0.557 38 HA DAL 7 HA DAL 7 12.831 0.792 0.359 39 HB1 DAL 7 HB2 DAL 7 13.366 2.251 2.939 40 HB2 DAL 7 HB3 DAL 7 13.552 0.512 2.721 41 H LEU 8 HN LEU 8 14.556 2.903 -0.875 42 HA LEU 8 HA LEU 8 16.942 1.398 -1.028 43 HB2 LEU 8 HB2 LEU 8 16.153 4.180 -1.841 44 HB3 LEU 8 HB1 LEU 8 17.821 3.632 -2.011 45 HG LEU 8 HG LEU 8 16.319 3.295 -4.030 46 HD11 LEU 8 HD11 LEU 8 18.245 1.562 -2.770 47 HD12 LEU 8 HD12 LEU 8 18.018 1.902 -4.485 48 HD13 LEU 8 HD13 LEU 8 17.103 0.607 -3.713 49 HD21 LEU 8 HD21 LEU 8 14.359 2.500 -2.616 50 HD22 LEU 8 HD22 LEU 8 15.253 1.004 -2.349 51 HD23 LEU 8 HD23 LEU 8 14.748 1.448 -3.978 52 H MET 9 HN MET 9 15.982 4.198 0.816 53 HA MET 9 HA MET 9 18.382 5.076 1.852 54 HB2 MET 9 HB2 MET 9 15.627 4.910 3.071 55 HB3 MET 9 HB1 MET 9 16.953 5.844 3.776 56 HG2 MET 9 HG2 MET 9 16.293 6.216 0.890 57 HG3 MET 9 HG1 MET 9 15.256 6.962 2.108 58 HE1 MET 9 HE1 MET 9 18.420 6.488 0.458 59 HE2 MET 9 HE2 MET 9 19.483 7.838 0.856 60 HE3 MET 9 HE3 MET 9 18.077 8.105 -0.173 61 H DBB 10 HN DBB 10 16.277 2.469 3.016 62 HA DBB 10 HA DBB 10 18.569 1.451 4.566 63 HB2 DBB 10 HB2 DBB 10 17.635 0.102 2.674 64 HG1 DBB 10 HG1 DBB 10 15.289 0.855 3.236 65 HG2 DBB 10 HG2 DBB 10 15.300 -0.393 4.484 66 HG3 DBB 10 HG3 DBB 10 15.494 -0.840 2.790 67 H GLY 11 HN GLY 11 14.989 1.542 4.707 68 HA2 GLY 11 HA2 GLY 11 14.675 0.639 7.299 69 HA3 GLY 11 HA1 GLY 11 14.993 2.364 7.411 70 H CYS 12 HN CYS 12 12.971 0.146 5.444 71 HA CYS 12 HA CYS 12 10.593 1.636 6.171 72 HB2 CYS 12 HB2 CYS 12 10.144 2.647 4.150 73 HB3 CYS 12 HB1 CYS 12 11.896 2.802 4.230 74 H GLY 13 HN GLY 13 8.673 0.872 4.821 75 HA2 GLY 13 HA2 GLY 13 8.754 -2.064 4.653 76 HA3 GLY 13 HA1 GLY 13 7.310 -1.080 4.818 77 H TRP 14 HN TRP 14 9.972 -0.612 2.573 78 HA TRP 14 HA TRP 14 8.287 -0.107 0.387 79 HB2 TRP 14 HB2 TRP 14 10.348 -0.227 -0.960 80 HB3 TRP 14 HB1 TRP 14 10.561 0.751 0.470 81 HD1 TRP 14 HD1 TRP 14 10.756 -1.981 2.334 82 HE1 TRP 14 HE1 TRP 14 13.039 -3.180 2.419 83 HE3 TRP 14 HE3 TRP 14 12.880 -0.090 -1.887 84 HZ2 TRP 14 HZ2 TRP 14 15.456 -3.308 0.879 85 HZ3 TRP 14 HZ3 TRP 14 15.163 -0.758 -2.563 86 HH2 TRP 14 HH2 TRP 14 16.458 -2.354 -1.188 87 H LEU 15 HN LEU 15 10.530 -2.248 -0.800 88 HA LEU 15 HA LEU 15 8.458 -4.240 -1.352 89 HB2 LEU 15 HB2 LEU 15 10.482 -4.936 -2.973 90 HB3 LEU 15 HB1 LEU 15 9.327 -3.670 -3.399 91 HG LEU 15 HG LEU 15 11.821 -3.024 -1.832 92 HD11 LEU 15 HD11 LEU 15 13.164 -3.038 -3.654 93 HD12 LEU 15 HD12 LEU 15 11.872 -2.512 -4.736 94 HD13 LEU 15 HD13 LEU 15 12.000 -4.210 -4.272 95 HD21 LEU 15 HD21 LEU 15 11.342 -0.821 -2.345 96 HD22 LEU 15 HD22 LEU 15 9.701 -1.469 -2.332 97 HD23 LEU 15 HD23 LEU 15 10.545 -1.231 -3.862 98 H DBU 16 HN DHB 16 10.834 -3.785 0.880 99 HB DBU 16 HB DHB 16 13.015 -7.106 1.893 100 HG1 DBU 16 HG1 DHB 16 12.835 -5.799 -0.882 101 HG2 DBU 16 HG2 DHB 16 13.071 -7.533 -0.658 102 HG3 DBU 16 HG3 DHB 16 14.316 -6.399 -0.134 103 H GLY 17 HN GLY 17 11.432 -3.677 3.051 104 HA2 GLY 17 HA2 GLY 17 9.894 -3.422 4.885 105 HA3 GLY 17 HA1 GLY 17 9.861 -5.172 5.055 106 H LEU 18 HN LEU 18 11.126 -2.347 6.275 107 HA LEU 18 HA LEU 18 12.739 -1.854 7.837 108 HB2 LEU 18 HB2 LEU 18 12.441 -4.821 8.358 109 HB3 LEU 18 HB1 LEU 18 13.349 -3.717 9.393 110 HG LEU 18 HG LEU 18 10.431 -3.318 8.683 111 HD11 LEU 18 HD11 LEU 18 10.890 -3.998 11.439 112 HD12 LEU 18 HD12 LEU 18 11.581 -5.256 10.414 113 HD13 LEU 18 HD13 LEU 18 9.877 -4.828 10.258 114 HD21 LEU 18 HD21 LEU 18 10.513 -1.465 10.027 115 HD22 LEU 18 HD22 LEU 18 12.226 -1.502 9.611 116 HD23 LEU 18 HD23 LEU 18 11.673 -2.198 11.135 117 H CYS 19 HN CYS 19 13.909 -1.693 5.582 118 HA CYS 19 HA CYS 19 15.696 -2.376 4.188 119 HB2 CYS 19 HB2 CYS 19 16.305 -0.656 6.068 120 HB3 CYS 19 HB1 CYS 19 17.266 -1.988 6.702 121 H VAL 20 HN VAL 20 15.506 -4.558 3.715 122 HA VAL 20 HA VAL 20 17.104 -6.353 5.436 123 HB VAL 20 HB VAL 20 15.607 -8.173 4.374 124 HG11 VAL 20 HG11 VAL 20 13.794 -7.650 6.091 125 HG12 VAL 20 HG12 VAL 20 14.652 -6.142 6.409 126 HG13 VAL 20 HG13 VAL 20 15.442 -7.689 6.719 127 HG21 VAL 20 HG21 VAL 20 13.783 -5.773 4.050 128 HG22 VAL 20 HG22 VAL 20 13.437 -7.446 3.610 129 HG23 VAL 20 HG23 VAL 20 14.638 -6.525 2.703 130 H ARG 21 HN ARG 21 17.017 -4.778 2.523 131 HA ARG 21 HA ARG 21 17.591 -6.237 0.411 132 HB2 ARG 21 HB2 ARG 21 19.451 -4.752 -0.195 133 HB3 ARG 21 HB1 ARG 21 18.121 -3.832 0.515 134 HG2 ARG 21 HG2 ARG 21 19.258 -3.759 2.664 135 HG3 ARG 21 HG1 ARG 21 20.543 -4.805 2.059 136 HD2 ARG 21 HD2 ARG 21 21.284 -2.475 2.004 137 HD3 ARG 21 HD1 ARG 21 21.114 -3.087 0.361 138 HE ARG 21 HE ARG 21 18.705 -1.828 1.238 139 HH11 ARG 21 HH11 ARG 21 21.938 -1.240 0.156 140 HH12 ARG 21 HH12 ARG 21 21.574 0.308 -0.529 141 HH21 ARG 21 HH21 ARG 21 18.217 0.192 0.329 142 HH22 ARG 21 HH22 ARG 21 19.468 1.119 -0.432 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 11.597 8.824 -2.491 2 H2 ALA 1 HT2 ALA 1 10.276 8.417 -1.503 3 H3 ALA 1 HT3 ALA 1 10.394 9.975 -2.168 4 HA ALA 1 HA ALA 1 9.774 7.432 -3.537 5 HB1 ALA 1 HB1 ALA 1 7.888 8.690 -2.619 6 HB2 ALA 1 HB2 ALA 1 7.869 8.799 -4.378 7 HB3 ALA 1 HB3 ALA 1 8.451 10.158 -3.418 8 H GLY 2 HN GLY 2 9.524 7.667 -5.906 9 HA2 GLY 2 HA2 GLY 2 10.089 8.612 -7.990 10 HA3 GLY 2 HA1 GLY 2 11.098 9.792 -7.157 11 H GLY 3 HN GLY 3 11.851 6.985 -5.706 12 HA2 GLY 3 HA2 GLY 3 13.264 5.157 -6.438 13 HA3 GLY 3 HA1 GLY 3 13.879 6.209 -7.709 14 H DBU 4 HN DHB 4 13.940 5.532 -4.252 15 HB DBU 4 HB DHB 4 17.676 6.605 -2.868 16 HG1 DBU 4 HG1 DHB 4 17.038 5.368 -5.614 17 HG2 DBU 4 HG2 DHB 4 18.269 4.746 -4.515 18 HG3 DBU 4 HG3 DHB 4 18.474 6.329 -5.265 19 H ILE 5 HN ILE 5 14.652 5.334 -1.600 20 HA ILE 5 HA ILE 5 14.730 6.925 0.514 21 HB ILE 5 HB ILE 5 13.038 8.234 -1.527 22 HG12 ILE 5 HG12 ILE 5 15.320 8.922 -0.328 23 HG13 ILE 5 HG11 ILE 5 14.122 10.130 -0.777 24 HG21 ILE 5 HG21 ILE 5 12.288 7.959 1.388 25 HG22 ILE 5 HG22 ILE 5 11.262 7.720 -0.031 26 HG23 ILE 5 HG23 ILE 5 11.769 9.346 0.428 27 HD11 ILE 5 HD11 ILE 5 15.142 10.030 1.693 28 HD12 ILE 5 HD12 ILE 5 13.856 8.844 1.907 29 HD13 ILE 5 HD13 ILE 5 13.463 10.489 1.412 30 HA PRO 6 HA PRO 6 10.335 4.814 0.394 31 HB2 PRO 6 HB2 PRO 6 10.699 3.036 -1.952 32 HB3 PRO 6 HB1 PRO 6 9.300 4.026 -1.494 33 HG2 PRO 6 HG2 PRO 6 10.857 4.702 -3.544 34 HG3 PRO 6 HG1 PRO 6 10.138 5.921 -2.476 35 HD2 PRO 6 HD2 PRO 6 12.960 4.897 -2.512 36 HD3 PRO 6 HD1 PRO 6 12.364 6.538 -2.269 37 H DAL 7 HN DAL 7 13.455 3.610 -0.035 38 HA DAL 7 HA DAL 7 12.991 0.872 0.674 39 HB1 DAL 7 HB2 DAL 7 14.491 1.861 2.886 40 HB2 DAL 7 HB3 DAL 7 12.959 0.996 2.905 41 H LEU 8 HN LEU 8 14.693 2.933 -0.958 42 HA LEU 8 HA LEU 8 16.955 1.272 -1.265 43 HB2 LEU 8 HB2 LEU 8 16.838 4.216 -1.946 44 HB3 LEU 8 HB1 LEU 8 17.786 2.957 -2.738 45 HG LEU 8 HG LEU 8 14.835 3.488 -2.893 46 HD11 LEU 8 HD11 LEU 8 17.160 3.265 -4.726 47 HD12 LEU 8 HD12 LEU 8 15.745 4.309 -4.822 48 HD13 LEU 8 HD13 LEU 8 15.632 2.628 -5.332 49 HD21 LEU 8 HD21 LEU 8 14.607 1.230 -2.401 50 HD22 LEU 8 HD22 LEU 8 16.213 0.828 -3.009 51 HD23 LEU 8 HD23 LEU 8 14.896 1.139 -4.139 52 H MET 9 HN MET 9 16.263 4.018 0.786 53 HA MET 9 HA MET 9 18.923 4.589 1.609 54 HB2 MET 9 HB2 MET 9 16.413 5.004 3.241 55 HB3 MET 9 HB1 MET 9 17.909 5.928 3.307 56 HG2 MET 9 HG2 MET 9 17.534 6.626 0.934 57 HG3 MET 9 HG1 MET 9 15.972 5.811 1.002 58 HE1 MET 9 HE1 MET 9 17.875 9.245 2.140 59 HE2 MET 9 HE2 MET 9 18.279 7.805 3.071 60 HE3 MET 9 HE3 MET 9 17.357 9.104 3.825 61 H DBB 10 HN DBB 10 16.380 2.462 2.849 62 HA DBB 10 HA DBB 10 18.376 1.187 4.624 63 HB2 DBB 10 HB2 DBB 10 17.283 -0.068 2.604 64 HG1 DBB 10 HG1 DBB 10 15.017 0.141 2.767 65 HG2 DBB 10 HG2 DBB 10 15.026 0.163 4.518 66 HG3 DBB 10 HG3 DBB 10 15.233 -1.344 3.664 67 H GLY 11 HN GLY 11 15.151 2.465 4.336 68 HA2 GLY 11 HA2 GLY 11 14.272 1.540 6.897 69 HA3 GLY 11 HA1 GLY 11 14.815 3.204 6.916 70 H CYS 12 HN CYS 12 12.534 0.975 5.402 71 HA CYS 12 HA CYS 12 10.479 3.029 5.341 72 HB2 CYS 12 HB2 CYS 12 10.938 1.718 2.728 73 HB3 CYS 12 HB1 CYS 12 10.248 3.298 3.069 74 H GLY 13 HN GLY 13 9.001 1.680 3.273 75 HA2 GLY 13 HA2 GLY 13 8.366 -0.901 4.573 76 HA3 GLY 13 HA1 GLY 13 7.116 0.224 4.063 77 H TRP 14 HN TRP 14 9.624 0.429 1.914 78 HA TRP 14 HA TRP 14 8.280 -0.388 -0.326 79 HB2 TRP 14 HB2 TRP 14 10.413 -0.526 -1.432 80 HB3 TRP 14 HB1 TRP 14 10.496 0.774 -0.274 81 HD1 TRP 14 HD1 TRP 14 10.737 -1.367 2.234 82 HE1 TRP 14 HE1 TRP 14 13.065 -2.373 2.694 83 HE3 TRP 14 HE3 TRP 14 12.961 -0.524 -2.275 84 HZ2 TRP 14 HZ2 TRP 14 15.546 -2.768 1.322 85 HZ3 TRP 14 HZ3 TRP 14 15.303 -1.223 -2.677 86 HH2 TRP 14 HH2 TRP 14 16.598 -2.344 -0.886 87 H LEU 15 HN LEU 15 9.394 -2.317 -1.737 88 HA LEU 15 HA LEU 15 8.212 -4.638 -1.318 89 HB2 LEU 15 HB2 LEU 15 10.302 -5.824 -2.177 90 HB3 LEU 15 HB1 LEU 15 9.694 -4.500 -3.172 91 HG LEU 15 HG LEU 15 11.783 -4.023 -1.052 92 HD11 LEU 15 HD11 LEU 15 12.391 -4.590 -3.957 93 HD12 LEU 15 HD12 LEU 15 12.476 -5.836 -2.712 94 HD13 LEU 15 HD13 LEU 15 13.530 -4.423 -2.621 95 HD21 LEU 15 HD21 LEU 15 12.183 -2.362 -3.258 96 HD22 LEU 15 HD22 LEU 15 11.363 -1.923 -1.769 97 HD23 LEU 15 HD23 LEU 15 10.429 -2.484 -3.144 98 H DBU 16 HN DHB 16 11.036 -3.572 0.551 99 HB DBU 16 HB DHB 16 12.390 -6.173 3.297 100 HG1 DBU 16 HG1 DHB 16 13.178 -5.780 0.433 101 HG2 DBU 16 HG2 DHB 16 12.333 -7.302 0.721 102 HG3 DBU 16 HG3 DHB 16 13.833 -6.949 1.581 103 H GLY 17 HN GLY 17 11.876 -3.020 3.547 104 HA2 GLY 17 HA2 GLY 17 10.064 -1.667 4.723 105 HA3 GLY 17 HA1 GLY 17 9.553 -3.224 5.366 106 H LEU 18 HN LEU 18 11.902 -4.443 5.994 107 HA LEU 18 HA LEU 18 12.832 -2.793 8.238 108 HB2 LEU 18 HB2 LEU 18 13.200 -5.742 7.655 109 HB3 LEU 18 HB1 LEU 18 13.774 -4.912 9.102 110 HG LEU 18 HG LEU 18 10.878 -5.044 8.215 111 HD11 LEU 18 HD11 LEU 18 11.272 -7.204 8.982 112 HD12 LEU 18 HD12 LEU 18 10.856 -6.392 10.493 113 HD13 LEU 18 HD13 LEU 18 12.547 -6.689 10.086 114 HD21 LEU 18 HD21 LEU 18 10.904 -3.147 9.520 115 HD22 LEU 18 HD22 LEU 18 12.369 -3.628 10.373 116 HD23 LEU 18 HD23 LEU 18 10.818 -4.342 10.815 117 H CYS 19 HN CYS 19 13.765 -3.482 5.125 118 HA CYS 19 HA CYS 19 15.700 -3.026 3.972 119 HB2 CYS 19 HB2 CYS 19 15.839 -1.143 5.729 120 HB3 CYS 19 HB1 CYS 19 16.978 -2.182 6.567 121 H VAL 20 HN VAL 20 16.068 -5.186 3.510 122 HA VAL 20 HA VAL 20 17.990 -6.557 5.287 123 HB VAL 20 HB VAL 20 17.203 -8.632 4.017 124 HG11 VAL 20 HG11 VAL 20 16.524 -8.031 6.342 125 HG12 VAL 20 HG12 VAL 20 15.250 -8.879 5.466 126 HG13 VAL 20 HG13 VAL 20 15.158 -7.130 5.682 127 HG21 VAL 20 HG21 VAL 20 16.135 -7.466 2.137 128 HG22 VAL 20 HG22 VAL 20 15.017 -6.668 3.246 129 HG23 VAL 20 HG23 VAL 20 14.934 -8.415 3.014 130 H ARG 21 HN ARG 21 17.836 -4.794 2.511 131 HA ARG 21 HA ARG 21 19.379 -6.294 0.676 132 HB2 ARG 21 HB2 ARG 21 18.095 -4.261 0.070 133 HB3 ARG 21 HB1 ARG 21 19.244 -3.281 0.985 134 HG2 ARG 21 HG2 ARG 21 21.079 -4.090 -0.457 135 HG3 ARG 21 HG1 ARG 21 19.926 -5.056 -1.379 136 HD2 ARG 21 HD2 ARG 21 20.300 -2.986 -2.578 137 HD3 ARG 21 HD1 ARG 21 18.673 -2.950 -1.906 138 HE ARG 21 HE ARG 21 20.479 -1.760 -0.076 139 HH11 ARG 21 HH11 ARG 21 18.975 -1.276 -3.154 140 HH12 ARG 21 HH12 ARG 21 18.995 0.452 -3.047 141 HH21 ARG 21 HH21 ARG 21 20.512 0.507 0.070 142 HH22 ARG 21 HH22 ARG 21 19.864 1.462 -1.222
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