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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 | cing | stage | position | program | type |
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5966 |
1i93 ![]() ![]() |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 1 HA1 ACE 1 15.932 31.712 -13.176 2 2H ACE 1 HA2 ACE 1 16.463 31.156 -11.588 3 3H ACE 1 HA3 ACE 1 16.569 32.865 -12.003 4 H CYS 2 HN CYS 2 14.764 34.159 -11.687 5 HA CYS 2 HA CYS 2 12.558 33.019 -10.116 6 1HB CYS 2 HB2 CYS 2 13.855 35.295 -9.925 7 2HB CYS 2 HB1 CYS 2 12.731 35.832 -11.174 8 H HIS 3 HN HIS 3 12.637 32.026 -12.841 9 HA HIS 3 HA HIS 3 10.065 33.174 -13.876 10 1HB HIS 3 HB2 HIS 3 11.020 32.852 -16.148 11 2HB HIS 3 HB1 HIS 3 11.986 33.971 -15.192 12 HD1 HIS 3 HD1 HIS 3 12.150 30.753 -16.985 13 HD2 HIS 3 HD2 HIS 3 14.451 32.766 -14.150 14 HE1 HIS 3 HE1 HIS 3 14.407 29.607 -16.950 15 H TRP 4 HN TRP 4 9.396 31.188 -12.458 16 HA TRP 4 HA TRP 4 9.506 28.689 -14.144 17 1HB TRP 4 HB2 TRP 4 10.799 28.578 -12.018 18 2HB TRP 4 HB1 TRP 4 9.350 29.026 -11.121 19 HD1 TRP 4 HD1 TRP 4 8.345 26.978 -10.016 20 HE1 TRP 4 HE1 TRP 4 7.963 24.515 -10.673 21 HE3 TRP 4 HE3 TRP 4 10.534 26.947 -14.620 22 HZ2 TRP 4 HZ2 TRP 4 8.523 22.759 -12.862 23 HZ3 TRP 4 HZ3 TRP 4 10.604 24.870 -15.969 24 HH2 TRP 4 HH2 TRP 4 9.599 22.777 -15.098 25 H LEU 5 HN LEU 5 7.531 30.482 -14.730 26 HA LEU 5 HA LEU 5 5.114 29.372 -13.352 27 1HB LEU 5 HB2 LEU 5 5.608 32.070 -14.656 28 2HB LEU 5 HB1 LEU 5 4.084 31.568 -13.923 29 HG LEU 5 HG LEU 5 6.710 31.615 -12.415 30 1HD1 LEU 5 HD11 LEU 5 4.492 33.661 -12.218 31 2HD1 LEU 5 HD12 LEU 5 5.880 33.887 -13.282 32 3HD1 LEU 5 HD13 LEU 5 6.118 33.751 -11.540 33 1HD2 LEU 5 HD21 LEU 5 3.794 31.335 -11.633 34 2HD2 LEU 5 HD22 LEU 5 5.080 31.645 -10.467 35 3HD2 LEU 5 HD23 LEU 5 5.082 30.152 -11.405 36 H ARG 6 HN ARG 6 6.052 27.845 -15.414 37 HA ARG 6 HA ARG 6 5.495 26.959 -17.531 38 1HB ARG 6 HB2 ARG 6 3.119 28.036 -16.189 39 2HB ARG 6 HB1 ARG 6 2.919 27.894 -17.935 40 1HG ARG 6 HG2 ARG 6 2.254 25.781 -17.101 41 2HG ARG 6 HG1 ARG 6 3.904 25.524 -17.670 42 1HD ARG 6 HD2 ARG 6 4.788 25.650 -15.433 43 2HD ARG 6 HD1 ARG 6 3.232 26.214 -14.791 44 HE ARG 6 HE ARG 6 2.285 23.993 -15.388 45 1HH1 ARG 6 HH11 ARG 6 5.288 24.169 -14.026 46 2HH1 ARG 6 HH12 ARG 6 5.822 22.594 -14.507 47 1HH2 ARG 6 HH21 ARG 6 3.141 22.049 -16.640 48 2HH2 ARG 6 HH22 ARG 6 4.605 21.392 -15.989 49 H GLY 7 HN GLY 7 6.578 29.853 -17.385 50 1HA GLY 7 HA2 GLY 7 7.263 31.258 -19.184 51 2HA GLY 7 HA1 GLY 7 6.100 30.443 -20.227 52 H ASP 8 HN ASP 8 5.088 31.652 -17.118 53 HA ASP 8 HA ASP 8 3.163 33.476 -18.415 54 1HB ASP 8 HB2 ASP 8 3.748 32.517 -15.609 55 2HB ASP 8 HB1 ASP 8 2.497 33.711 -15.946 56 H MET 9 HN MET 9 3.190 35.327 -16.143 57 HA MET 9 HA MET 9 5.106 37.252 -17.180 58 1HB MET 9 HB2 MET 9 3.182 37.157 -14.839 59 2HB MET 9 HB1 MET 9 4.153 38.582 -15.214 60 1HG MET 9 HG2 MET 9 3.154 38.747 -17.422 61 2HG MET 9 HG1 MET 9 2.279 37.235 -17.179 62 1HE MET 9 HE1 MET 9 2.774 39.953 -14.252 63 2HE MET 9 HE2 MET 9 1.704 41.177 -14.930 64 3HE MET 9 HE3 MET 9 3.098 40.625 -15.856 65 H ARG 10 HN ARG 10 7.105 36.074 -16.786 66 HA ARG 10 HA ARG 10 7.944 35.529 -14.021 67 1HB ARG 10 HB2 ARG 10 9.988 34.726 -15.195 68 2HB ARG 10 HB1 ARG 10 8.523 34.023 -15.875 69 1HG ARG 10 HG2 ARG 10 8.602 35.411 -17.787 70 2HG ARG 10 HG1 ARG 10 9.719 36.545 -17.026 71 1HD ARG 10 HD2 ARG 10 11.495 34.820 -17.054 72 2HD ARG 10 HD1 ARG 10 10.371 33.688 -17.832 73 HE ARG 10 HE ARG 10 11.458 36.159 -19.079 74 1HH1 ARG 10 HH21 ARG 10 8.605 35.717 -19.866 75 2HH1 ARG 10 HH22 ARG 10 8.764 34.714 -21.269 76 1HH2 ARG 10 HH11 ARG 10 12.050 33.837 -20.594 77 2HH2 ARG 10 HH12 ARG 10 10.715 33.649 -21.681 78 H ARG 11 HN ARG 11 7.397 38.184 -14.114 79 HA ARG 11 HA ARG 11 9.709 39.792 -14.892 80 1HB ARG 11 HB2 ARG 11 7.138 40.231 -13.363 81 2HB ARG 11 HB1 ARG 11 8.336 41.515 -13.528 82 1HG ARG 11 HG2 ARG 11 8.248 41.162 -16.026 83 2HG ARG 11 HG1 ARG 11 6.886 40.071 -15.761 84 1HD ARG 11 HD2 ARG 11 5.525 41.831 -14.865 85 2HD ARG 11 HD1 ARG 11 6.915 42.928 -14.741 86 HE ARG 11 HE ARG 11 5.629 42.073 -17.289 87 1HH1 ARG 11 HH11 ARG 11 8.532 42.405 -17.717 88 2HH1 ARG 11 HH12 ARG 11 8.679 44.093 -18.078 89 1HH2 ARG 11 HH21 ARG 11 5.557 44.908 -16.810 90 2HH2 ARG 11 HH22 ARG 11 6.995 45.510 -17.564 91 H CYS 12 HN CYS 12 8.235 38.991 -11.715 92 HA CYS 12 HA CYS 12 9.220 38.852 -9.572 93 1HB CYS 12 HB2 CYS 12 10.454 37.135 -11.067 94 2HB CYS 12 HB1 CYS 12 11.772 38.306 -11.095 95 1HN NH2 13 H1 CYS 12 9.014 41.289 -9.331 96 2HN NH2 13 H2 CYS 12 10.418 42.242 -9.338 Start of MODEL 2 1 1H ACE 1 HA1 ACE 1 9.865 17.575 3.277 2 2H ACE 1 HA2 ACE 1 8.595 18.775 3.519 3 3H ACE 1 HA3 ACE 1 10.161 19.269 2.879 4 H CYS 2 HN CYS 2 7.037 18.597 1.992 5 HA CYS 2 HA CYS 2 5.998 18.203 -0.089 6 1HB CYS 2 HB2 CYS 2 8.151 19.977 -0.349 7 2HB CYS 2 HB1 CYS 2 8.365 18.840 -1.679 8 H HIS 3 HN HIS 3 6.507 15.815 0.794 9 HA HIS 3 HA HIS 3 8.107 14.383 -1.314 10 1HB HIS 3 HB2 HIS 3 8.490 12.698 0.484 11 2HB HIS 3 HB1 HIS 3 9.101 14.292 0.925 12 HD1 HIS 3 HD1 HIS 3 6.415 11.816 1.758 13 HD2 HIS 3 HD2 HIS 3 7.628 15.609 2.989 14 HE1 HIS 3 HE1 HIS 3 5.145 12.320 3.889 15 H TRP 4 HN TRP 4 7.280 12.099 -1.675 16 HA TRP 4 HA TRP 4 4.272 12.059 -1.617 17 1HB TRP 4 HB2 TRP 4 5.525 12.238 -3.799 18 2HB TRP 4 HB1 TRP 4 6.237 10.659 -3.467 19 HD1 TRP 4 HD1 TRP 4 5.019 8.958 -4.919 20 HE1 TRP 4 HE1 TRP 4 2.551 8.420 -5.434 21 HE3 TRP 4 HE3 TRP 4 2.742 12.812 -2.464 22 HZ2 TRP 4 HZ2 TRP 4 -0.034 9.478 -4.872 23 HZ3 TRP 4 HZ3 TRP 4 0.278 13.016 -2.470 24 HH2 TRP 4 HH2 TRP 4 -1.110 11.356 -3.669 25 H LEU 5 HN LEU 5 4.252 10.994 0.541 26 HA LEU 5 HA LEU 5 5.208 8.151 0.454 27 1HB LEU 5 HB2 LEU 5 4.965 10.237 2.609 28 2HB LEU 5 HB1 LEU 5 4.988 8.526 3.038 29 HG LEU 5 HG LEU 5 7.095 9.861 1.315 30 1HD1 LEU 5 HD11 LEU 5 7.350 10.829 3.472 31 2HD1 LEU 5 HD12 LEU 5 8.495 9.487 3.445 32 3HD1 LEU 5 HD13 LEU 5 6.953 9.315 4.284 33 1HD2 LEU 5 HD21 LEU 5 6.718 7.121 2.524 34 2HD2 LEU 5 HD22 LEU 5 8.328 7.718 2.121 35 3HD2 LEU 5 HD23 LEU 5 7.110 7.541 0.857 36 H ARG 6 HN ARG 6 3.465 6.880 -0.055 37 HA ARG 6 HA ARG 6 1.315 5.917 0.031 38 1HB ARG 6 HB2 ARG 6 2.464 6.150 2.516 39 2HB ARG 6 HB1 ARG 6 0.874 6.864 2.777 40 1HG ARG 6 HG2 ARG 6 1.143 4.254 1.305 41 2HG ARG 6 HG1 ARG 6 1.146 4.285 3.068 42 1HD ARG 6 HD2 ARG 6 -1.132 4.165 2.822 43 2HD ARG 6 HD1 ARG 6 -1.005 5.905 2.498 44 HE ARG 6 HE ARG 6 -1.179 5.451 0.148 45 1HH1 ARG 6 HH21 ARG 6 -2.903 3.210 1.590 46 2HH1 ARG 6 HH22 ARG 6 -2.540 1.879 0.544 47 1HH2 ARG 6 HH11 ARG 6 0.124 3.474 -1.000 48 2HH2 ARG 6 HH12 ARG 6 -0.826 2.028 -0.922 49 H GLY 7 HN GLY 7 1.452 8.984 -0.569 50 1HA GLY 7 HA2 GLY 7 -0.202 10.600 -1.063 51 2HA GLY 7 HA1 GLY 7 -1.400 9.355 -0.736 52 H ASP 8 HN ASP 8 1.051 10.658 1.483 53 HA ASP 8 HA ASP 8 -1.086 11.204 3.464 54 1HB ASP 8 HB2 ASP 8 0.860 11.493 4.970 55 2HB ASP 8 HB1 ASP 8 0.946 9.972 4.089 56 H MET 9 HN MET 9 0.446 13.301 4.765 57 HA MET 9 HA MET 9 -0.664 15.605 3.339 58 1HB MET 9 HB2 MET 9 0.986 15.241 5.862 59 2HB MET 9 HB1 MET 9 0.298 16.786 5.357 60 1HG MET 9 HG2 MET 9 -1.489 14.383 5.534 61 2HG MET 9 HG1 MET 9 -1.039 15.226 7.015 62 1HE MET 9 HE1 MET 9 -2.750 18.411 7.121 63 2HE MET 9 HE2 MET 9 -1.325 17.470 7.555 64 3HE MET 9 HE3 MET 9 -2.930 16.840 7.914 65 H ARG 10 HN ARG 10 0.712 15.438 1.369 66 HA ARG 10 HA ARG 10 3.599 15.919 1.651 67 1HB ARG 10 HB2 ARG 10 3.495 15.779 -0.835 68 2HB ARG 10 HB1 ARG 10 2.694 14.413 -0.058 69 1HG ARG 10 HG2 ARG 10 0.598 15.089 -0.720 70 2HG ARG 10 HG1 ARG 10 1.007 16.802 -0.630 71 1HD ARG 10 HD2 ARG 10 2.578 16.250 -2.675 72 2HD ARG 10 HD1 ARG 10 1.489 14.863 -2.876 73 HE ARG 10 HE ARG 10 -0.329 16.816 -2.562 74 1HH1 ARG 10 HH11 ARG 10 2.444 18.285 -3.345 75 2HH1 ARG 10 HH12 ARG 10 2.013 18.767 -4.952 76 1HH2 ARG 10 HH21 ARG 10 -0.827 16.779 -5.067 77 2HH2 ARG 10 HH22 ARG 10 0.159 17.914 -5.928 78 H ARG 11 HN ARG 11 2.048 18.084 2.721 79 HA ARG 11 HA ARG 11 2.101 20.240 0.692 80 1HB ARG 11 HB2 ARG 11 1.070 19.779 3.439 81 2HB ARG 11 HB1 ARG 11 1.515 21.443 3.053 82 1HG ARG 11 HG2 ARG 11 -0.753 21.284 2.389 83 2HG ARG 11 HG1 ARG 11 0.152 21.107 0.886 84 1HD ARG 11 HD2 ARG 11 0.042 18.507 1.623 85 2HD ARG 11 HD1 ARG 11 -1.464 19.088 2.358 86 HE ARG 11 HE ARG 11 -0.803 19.229 -0.541 87 1HH1 ARG 11 HH21 ARG 11 -2.579 21.092 1.535 88 2HH1 ARG 11 HH22 ARG 11 -4.122 20.783 0.812 89 1HH2 ARG 11 HH11 ARG 11 -2.948 18.247 -1.242 90 2HH2 ARG 11 HH12 ARG 11 -4.331 19.172 -0.762 91 H CYS 12 HN CYS 12 3.691 21.853 0.602 92 HA CYS 12 HA CYS 12 5.767 21.913 2.754 93 1HB CYS 12 HB2 CYS 12 7.504 21.889 0.978 94 2HB CYS 12 HB1 CYS 12 6.533 20.418 0.945 95 1HN NH2 13 H1 CYS 12 6.369 24.074 3.227 96 2HN NH2 13 H2 CYS 12 5.940 25.418 2.283 Start of MODEL 3 1 1H ACE 1 HA1 ACE 1 -16.936 13.072 12.969 2 2H ACE 1 HA2 ACE 1 -15.616 12.479 11.960 3 3H ACE 1 HA3 ACE 1 -15.354 12.755 13.682 4 H CYS 2 HN CYS 2 -14.835 10.643 14.277 5 HA CYS 2 HA CYS 2 -15.231 8.389 14.861 6 1HB CYS 2 HB2 CYS 2 -17.197 9.688 15.865 7 2HB CYS 2 HB1 CYS 2 -18.138 9.149 14.475 8 H HIS 3 HN HIS 3 -14.317 7.817 12.686 9 HA HIS 3 HA HIS 3 -16.411 6.766 10.794 10 1HB HIS 3 HB2 HIS 3 -14.583 7.027 9.098 11 2HB HIS 3 HB1 HIS 3 -15.031 8.552 9.859 12 HD1 HIS 3 HD1 HIS 3 -12.219 6.150 9.493 13 HD2 HIS 3 HD2 HIS 3 -13.089 9.527 11.778 14 HE1 HIS 3 HE1 HIS 3 -10.031 6.905 10.520 15 H TRP 4 HN TRP 4 -15.732 4.709 9.674 16 HA TRP 4 HA TRP 4 -14.579 2.815 11.616 17 1HB TRP 4 HB2 TRP 4 -16.620 2.511 10.073 18 2HB TRP 4 HB1 TRP 4 -15.455 2.293 8.764 19 HD1 TRP 4 HD1 TRP 4 -15.214 -0.214 8.337 20 HE1 TRP 4 HE1 TRP 4 -14.888 -2.305 9.814 21 HE3 TRP 4 HE3 TRP 4 -15.600 1.907 12.948 22 HZ2 TRP 4 HZ2 TRP 4 -14.813 -2.982 12.593 23 HZ3 TRP 4 HZ3 TRP 4 -15.407 0.524 14.997 24 HH2 TRP 4 HH2 TRP 4 -15.010 -1.917 14.824 25 H LEU 5 HN LEU 5 -12.408 2.467 11.689 26 HA LEU 5 HA LEU 5 -10.754 3.119 9.333 27 1HB LEU 5 HB2 LEU 5 -10.422 2.793 12.267 28 2HB LEU 5 HB1 LEU 5 -9.005 2.462 11.267 29 HG LEU 5 HG LEU 5 -10.674 4.984 11.083 30 1HD1 LEU 5 HD11 LEU 5 -9.309 4.565 13.246 31 2HD1 LEU 5 HD12 LEU 5 -9.062 6.092 12.397 32 3HD1 LEU 5 HD13 LEU 5 -7.891 4.785 12.221 33 1HD2 LEU 5 HD21 LEU 5 -8.414 5.683 9.933 34 2HD2 LEU 5 HD22 LEU 5 -9.601 4.756 9.017 35 3HD2 LEU 5 HD23 LEU 5 -8.203 3.945 9.721 36 H ARG 6 HN ARG 6 -11.565 1.170 8.125 37 HA ARG 6 HA ARG 6 -11.406 -1.090 7.429 38 1HB ARG 6 HB2 ARG 6 -9.083 0.185 7.343 39 2HB ARG 6 HB1 ARG 6 -8.636 -1.013 8.558 40 1HG ARG 6 HG2 ARG 6 -9.733 -2.709 6.864 41 2HG ARG 6 HG1 ARG 6 -9.420 -1.429 5.691 42 1HD ARG 6 HD2 ARG 6 -7.148 -1.734 5.776 43 2HD ARG 6 HD1 ARG 6 -7.162 -2.081 7.516 44 HE ARG 6 HE ARG 6 -8.037 -4.054 5.435 45 1HH1 ARG 6 HH11 ARG 6 -5.321 -4.401 6.595 46 2HH1 ARG 6 HH12 ARG 6 -5.609 -5.492 7.909 47 1HH2 ARG 6 HH21 ARG 6 -9.033 -4.951 7.956 48 2HH2 ARG 6 HH22 ARG 6 -7.710 -5.803 8.679 49 H GLY 7 HN GLY 7 -12.196 -0.717 10.375 50 1HA GLY 7 HA2 GLY 7 -12.904 -2.620 11.741 51 2HA GLY 7 HA1 GLY 7 -11.490 -3.499 11.176 52 H ASP 8 HN ASP 8 -11.119 -0.169 12.174 53 HA ASP 8 HA ASP 8 -9.325 -1.049 14.344 54 1HB ASP 8 HB2 ASP 8 -9.215 0.940 12.529 55 2HB ASP 8 HB1 ASP 8 -9.964 1.821 13.855 56 H MET 9 HN MET 9 -9.574 0.598 16.390 57 HA MET 9 HA MET 9 -12.209 -0.065 17.541 58 1HB MET 9 HB2 MET 9 -11.094 0.728 19.622 59 2HB MET 9 HB1 MET 9 -10.122 -0.468 18.765 60 1HG MET 9 HG2 MET 9 -8.603 1.155 17.974 61 2HG MET 9 HG1 MET 9 -9.726 2.482 18.275 62 1HE MET 9 HE1 MET 9 -7.312 0.041 21.293 63 2HE MET 9 HE2 MET 9 -6.660 0.537 19.734 64 3HE MET 9 HE3 MET 9 -8.075 -0.511 19.796 65 H ARG 10 HN ARG 10 -12.370 1.986 15.496 66 HA ARG 10 HA ARG 10 -12.752 4.494 17.048 67 1HB ARG 10 HB2 ARG 10 -12.262 3.706 14.223 68 2HB ARG 10 HB1 ARG 10 -13.262 5.139 14.466 69 1HG ARG 10 HG2 ARG 10 -10.566 4.725 15.786 70 2HG ARG 10 HG1 ARG 10 -10.798 5.638 14.295 71 1HD ARG 10 HD2 ARG 10 -12.622 6.923 15.727 72 2HD ARG 10 HD1 ARG 10 -11.647 6.335 17.088 73 HE ARG 10 HE ARG 10 -10.303 7.707 14.803 74 1HH1 ARG 10 HH11 ARG 10 -11.823 8.648 17.586 75 2HH1 ARG 10 HH12 ARG 10 -10.429 9.335 18.352 76 1HH2 ARG 10 HH21 ARG 10 -8.196 8.075 16.017 77 2HH2 ARG 10 HH22 ARG 10 -8.376 9.011 17.464 78 H ARG 11 HN ARG 11 -14.581 2.363 17.526 79 HA ARG 11 HA ARG 11 -17.032 2.948 15.985 80 1HB ARG 11 HB2 ARG 11 -17.950 1.122 17.351 81 2HB ARG 11 HB1 ARG 11 -16.384 0.656 16.692 82 1HG ARG 11 HG2 ARG 11 -15.286 1.009 18.778 83 2HG ARG 11 HG1 ARG 11 -16.673 1.871 19.446 84 1HD ARG 11 HD2 ARG 11 -17.053 -0.961 18.509 85 2HD ARG 11 HD1 ARG 11 -16.300 -0.664 20.089 86 HE ARG 11 HE ARG 11 -18.339 0.833 20.541 87 1HH1 ARG 11 HH21 ARG 11 -18.937 -2.136 20.713 88 2HH1 ARG 11 HH22 ARG 11 -20.387 -2.248 19.771 89 1HH2 ARG 11 HH11 ARG 11 -19.976 0.852 18.274 90 2HH2 ARG 11 HH12 ARG 11 -20.974 -0.559 18.392 91 H CYS 12 HN CYS 12 -15.982 5.194 17.505 92 HA CYS 12 HA CYS 12 -16.716 6.835 19.033 93 1HB CYS 12 HB2 CYS 12 -19.058 5.432 17.888 94 2HB CYS 12 HB1 CYS 12 -19.392 6.356 19.353 95 1HN NH2 13 H1 CYS 12 -15.614 4.428 20.279 96 2HN NH2 13 H2 CYS 12 -16.412 4.207 21.761 Start of MODEL 4 1 1H ACE 1 HA1 ACE 1 5.376 22.651 -4.186 2 2H ACE 1 HA2 ACE 1 5.607 22.636 -2.440 3 3H ACE 1 HA3 ACE 1 4.507 21.481 -3.192 4 H CYS 2 HN CYS 2 6.863 21.593 -5.355 5 HA CYS 2 HA CYS 2 8.354 19.858 -5.994 6 1HB CYS 2 HB2 CYS 2 10.467 20.245 -4.820 7 2HB CYS 2 HB1 CYS 2 9.634 21.774 -5.085 8 H HIS 3 HN HIS 3 6.513 18.249 -5.076 9 HA HIS 3 HA HIS 3 7.058 16.840 -2.599 10 1HB HIS 3 HB2 HIS 3 5.473 15.196 -3.636 11 2HB HIS 3 HB1 HIS 3 4.880 16.852 -3.740 12 HD1 HIS 3 HD1 HIS 3 4.644 17.882 -6.080 13 HD2 HIS 3 HD2 HIS 3 6.397 14.099 -6.156 14 HE1 HIS 3 HE1 HIS 3 4.732 17.180 -8.513 15 H TRP 4 HN TRP 4 8.538 15.235 -2.231 16 HA TRP 4 HA TRP 4 10.335 14.432 -4.404 17 1HB TRP 4 HB2 TRP 4 11.819 13.876 -2.658 18 2HB TRP 4 HB1 TRP 4 10.905 15.225 -1.997 19 HD1 TRP 4 HD1 TRP 4 12.329 13.025 -0.247 20 HE1 TRP 4 HE1 TRP 4 10.973 11.706 1.488 21 HE3 TRP 4 HE3 TRP 4 7.672 13.577 -2.219 22 HZ2 TRP 4 HZ2 TRP 4 8.276 10.964 1.993 23 HZ3 TRP 4 HZ3 TRP 4 5.698 12.530 -1.068 24 HH2 TRP 4 HH2 TRP 4 6.009 11.229 1.028 25 H LEU 5 HN LEU 5 7.791 13.316 -4.766 26 HA LEU 5 HA LEU 5 7.863 10.572 -3.743 27 1HB LEU 5 HB2 LEU 5 6.122 12.180 -5.627 28 2HB LEU 5 HB1 LEU 5 5.826 10.468 -5.327 29 HG LEU 5 HG LEU 5 6.097 12.433 -3.054 30 1HD1 LEU 5 HD11 LEU 5 3.541 12.395 -3.066 31 2HD1 LEU 5 HD12 LEU 5 3.652 11.764 -4.709 32 3HD1 LEU 5 HD13 LEU 5 4.300 13.360 -4.332 33 1HD2 LEU 5 HD21 LEU 5 5.017 9.647 -3.459 34 2HD2 LEU 5 HD22 LEU 5 4.494 10.624 -2.087 35 3HD2 LEU 5 HD23 LEU 5 6.198 10.210 -2.277 36 H ARG 6 HN ARG 6 8.273 8.718 -5.005 37 HA ARG 6 HA ARG 6 9.378 7.452 -6.660 38 1HB ARG 6 HB2 ARG 6 7.364 9.013 -7.767 39 2HB ARG 6 HB1 ARG 6 8.745 9.330 -8.817 40 1HG ARG 6 HG2 ARG 6 7.956 6.520 -8.017 41 2HG ARG 6 HG1 ARG 6 7.279 7.313 -9.439 42 1HD ARG 6 HD2 ARG 6 9.458 7.539 -10.453 43 2HD ARG 6 HD1 ARG 6 10.263 7.008 -8.962 44 HE ARG 6 HE ARG 6 9.183 4.785 -9.286 45 1HH1 ARG 6 HH21 ARG 6 7.125 5.783 -11.298 46 2HH1 ARG 6 HH22 ARG 6 7.761 5.141 -12.776 47 1HH2 ARG 6 HH11 ARG 6 10.899 4.488 -11.452 48 2HH2 ARG 6 HH12 ARG 6 9.898 4.408 -12.863 49 H GLY 7 HN GLY 7 10.789 9.880 -5.390 50 1HA GLY 7 HA2 GLY 7 12.872 10.939 -5.611 51 2HA GLY 7 HA1 GLY 7 13.279 9.635 -6.726 52 H ASP 8 HN ASP 8 10.733 12.098 -7.077 53 HA ASP 8 HA ASP 8 11.637 12.681 -9.808 54 1HB ASP 8 HB2 ASP 8 9.640 14.133 -9.786 55 2HB ASP 8 HB1 ASP 8 9.258 12.542 -9.131 56 H MET 9 HN MET 9 11.187 15.417 -10.015 57 HA MET 9 HA MET 9 13.721 16.511 -9.257 58 1HB MET 9 HB2 MET 9 11.069 17.792 -10.024 59 2HB MET 9 HB1 MET 9 12.616 18.636 -10.031 60 1HG MET 9 HG2 MET 9 12.337 16.070 -11.565 61 2HG MET 9 HG1 MET 9 11.696 17.562 -12.253 62 1HE MET 9 HE1 MET 9 13.108 19.825 -12.041 63 2HE MET 9 HE2 MET 9 13.029 19.099 -13.645 64 3HE MET 9 HE3 MET 9 14.552 19.765 -13.062 65 H ARG 10 HN ARG 10 13.890 16.146 -6.960 66 HA ARG 10 HA ARG 10 11.972 17.470 -5.161 67 1HB ARG 10 HB2 ARG 10 13.372 16.366 -3.423 68 2HB ARG 10 HB1 ARG 10 12.843 15.227 -4.659 69 1HG ARG 10 HG2 ARG 10 14.959 15.004 -5.560 70 2HG ARG 10 HG1 ARG 10 15.454 16.624 -5.069 71 1HD ARG 10 HD2 ARG 10 16.621 15.445 -3.458 72 2HD ARG 10 HD1 ARG 10 15.056 15.485 -2.622 73 HE ARG 10 HE ARG 10 15.451 13.272 -4.542 74 1HH1 ARG 10 HH11 ARG 10 13.834 13.959 -1.807 75 2HH1 ARG 10 HH12 ARG 10 14.376 12.604 -0.874 76 1HH2 ARG 10 HH21 ARG 10 16.860 11.710 -3.123 77 2HH2 ARG 10 HH22 ARG 10 16.089 11.331 -1.619 78 H ARG 11 HN ARG 11 13.167 19.384 -6.719 79 HA ARG 11 HA ARG 11 15.491 20.517 -5.291 80 1HB ARG 11 HB2 ARG 11 13.926 20.994 -7.788 81 2HB ARG 11 HB1 ARG 11 14.809 22.366 -7.118 82 1HG ARG 11 HG2 ARG 11 16.807 20.692 -6.953 83 2HG ARG 11 HG1 ARG 11 15.889 19.740 -8.121 84 1HD ARG 11 HD2 ARG 11 15.710 21.985 -9.456 85 2HD ARG 11 HD1 ARG 11 17.092 22.484 -8.461 86 HE ARG 11 HE ARG 11 17.534 19.836 -9.493 87 1HH1 ARG 11 HH21 ARG 11 16.545 22.165 -11.529 88 2HH1 ARG 11 HH22 ARG 11 18.062 22.441 -12.319 89 1HH2 ARG 11 HH11 ARG 11 19.899 20.615 -10.015 90 2HH2 ARG 11 HH12 ARG 11 19.959 21.565 -11.462 91 H CYS 12 HN CYS 12 14.002 20.627 -3.249 92 HA CYS 12 HA CYS 12 11.980 22.756 -3.247 93 1HB CYS 12 HB2 CYS 12 13.271 21.054 -1.090 94 2HB CYS 12 HB1 CYS 12 11.886 22.112 -0.823 95 1HN NH2 13 H1 CYS 12 15.187 22.296 -1.633 96 2HN NH2 13 H2 CYS 12 15.484 23.953 -1.415 Start of MODEL 5 1 1H ACE 1 HA1 ACE 1 1.869 12.985 -17.541 2 2H ACE 1 HA2 ACE 1 0.851 14.345 -18.014 3 3H ACE 1 HA3 ACE 1 0.202 12.707 -18.046 4 H CYS 2 HN CYS 2 0.898 15.462 -16.066 5 HA CYS 2 HA CYS 2 0.258 16.025 -13.875 6 1HB CYS 2 HB2 CYS 2 -1.590 13.706 -14.503 7 2HB CYS 2 HB1 CYS 2 -1.739 14.684 -13.044 8 H HIS 3 HN HIS 3 1.349 15.649 -12.005 9 HA HIS 3 HA HIS 3 2.667 13.025 -11.584 10 1HB HIS 3 HB2 HIS 3 3.865 14.310 -9.829 11 2HB HIS 3 HB1 HIS 3 3.923 15.128 -11.386 12 HD1 HIS 3 HD1 HIS 3 4.382 17.235 -9.670 13 HD2 HIS 3 HD2 HIS 3 0.498 15.726 -9.801 14 HE1 HIS 3 HE1 HIS 3 2.887 19.014 -8.667 15 H TRP 4 HN TRP 4 2.790 13.120 -8.761 16 HA TRP 4 HA TRP 4 0.201 11.910 -8.098 17 1HB TRP 4 HB2 TRP 4 2.446 11.070 -7.369 18 2HB TRP 4 HB1 TRP 4 2.632 12.518 -6.379 19 HD1 TRP 4 HD1 TRP 4 2.063 12.030 -3.950 20 HE1 TRP 4 HE1 TRP 4 0.308 10.601 -2.714 21 HE3 TRP 4 HE3 TRP 4 -0.305 9.916 -7.935 22 HZ2 TRP 4 HZ2 TRP 4 -1.820 8.793 -3.339 23 HZ3 TRP 4 HZ3 TRP 4 -2.188 8.342 -7.595 24 HH2 TRP 4 HH2 TRP 4 -2.951 7.780 -5.304 25 H LEU 5 HN LEU 5 -1.443 12.873 -6.985 26 HA LEU 5 HA LEU 5 -1.074 15.680 -6.112 27 1HB LEU 5 HB2 LEU 5 -3.576 15.650 -6.123 28 2HB LEU 5 HB1 LEU 5 -2.871 15.202 -7.674 29 HG LEU 5 HG LEU 5 -3.280 12.919 -5.858 30 1HD1 LEU 5 HD11 LEU 5 -5.727 14.223 -7.069 31 2HD1 LEU 5 HD12 LEU 5 -5.260 14.474 -5.387 32 3HD1 LEU 5 HD13 LEU 5 -5.667 12.855 -5.957 33 1HD2 LEU 5 HD21 LEU 5 -3.634 11.815 -7.847 34 2HD2 LEU 5 HD22 LEU 5 -2.780 13.219 -8.488 35 3HD2 LEU 5 HD23 LEU 5 -4.542 13.155 -8.548 36 H ARG 6 HN ARG 6 -0.942 12.660 -4.695 37 HA ARG 6 HA ARG 6 -1.132 11.913 -2.456 38 1HB ARG 6 HB2 ARG 6 0.245 14.235 -2.572 39 2HB ARG 6 HB1 ARG 6 -1.085 14.745 -1.533 40 1HG ARG 6 HG2 ARG 6 -0.024 12.123 -0.779 41 2HG ARG 6 HG1 ARG 6 1.197 13.392 -0.701 42 1HD ARG 6 HD2 ARG 6 -1.485 14.046 0.438 43 2HD ARG 6 HD1 ARG 6 -0.461 12.927 1.359 44 HE ARG 6 HE ARG 6 1.247 14.652 1.486 45 1HH1 ARG 6 HH21 ARG 6 -1.272 16.142 2.293 46 2HH1 ARG 6 HH22 ARG 6 -1.134 17.585 1.344 47 1HH2 ARG 6 HH11 ARG 6 1.269 16.276 -0.784 48 2HH2 ARG 6 HH12 ARG 6 0.303 17.661 -0.396 49 H GLY 7 HN GLY 7 -3.657 13.027 -3.956 50 1HA GLY 7 HA2 GLY 7 -5.946 13.024 -3.367 51 2HA GLY 7 HA1 GLY 7 -5.470 12.704 -1.698 52 H ASP 8 HN ASP 8 -3.966 15.365 -3.319 53 HA ASP 8 HA ASP 8 -5.499 17.264 -1.589 54 1HB ASP 8 HB2 ASP 8 -2.844 16.703 -1.731 55 2HB ASP 8 HB1 ASP 8 -2.955 18.038 -2.879 56 H MET 9 HN MET 9 -4.357 19.501 -3.042 57 HA MET 9 HA MET 9 -6.462 19.925 -4.987 58 1HB MET 9 HB2 MET 9 -5.175 22.063 -5.346 59 2HB MET 9 HB1 MET 9 -5.536 21.745 -3.651 60 1HG MET 9 HG2 MET 9 -3.338 21.845 -3.181 61 2HG MET 9 HG1 MET 9 -3.064 20.453 -4.228 62 1HE MET 9 HE1 MET 9 -0.770 22.011 -3.914 63 2HE MET 9 HE2 MET 9 -0.219 22.608 -5.478 64 3HE MET 9 HE3 MET 9 -0.797 20.951 -5.330 65 H ARG 10 HN ARG 10 -6.118 18.226 -6.522 66 HA ARG 10 HA ARG 10 -3.602 18.042 -8.014 67 1HB ARG 10 HB2 ARG 10 -4.881 16.265 -9.216 68 2HB ARG 10 HB1 ARG 10 -4.946 16.060 -7.467 69 1HG ARG 10 HG2 ARG 10 -7.168 16.735 -7.328 70 2HG ARG 10 HG1 ARG 10 -7.092 17.651 -8.834 71 1HD ARG 10 HD2 ARG 10 -6.584 15.212 -9.838 72 2HD ARG 10 HD1 ARG 10 -7.538 14.729 -8.421 73 HE ARG 10 HE ARG 10 -8.613 16.933 -10.090 74 1HH1 ARG 10 HH21 ARG 10 -10.121 15.272 -8.008 75 2HH1 ARG 10 HH22 ARG 10 -11.084 14.260 -9.031 76 1HH2 ARG 10 HH11 ARG 10 -9.225 14.916 -11.883 77 2HH2 ARG 10 HH12 ARG 10 -10.578 14.058 -11.224 78 H ARG 11 HN ARG 11 -4.344 20.582 -8.325 79 HA ARG 11 HA ARG 11 -6.173 21.091 -10.520 80 1HB ARG 11 HB2 ARG 11 -4.880 22.515 -8.526 81 2HB ARG 11 HB1 ARG 11 -4.040 23.050 -9.980 82 1HG ARG 11 HG2 ARG 11 -5.990 23.920 -10.944 83 2HG ARG 11 HG1 ARG 11 -7.046 22.933 -9.932 84 1HD ARG 11 HD2 ARG 11 -7.263 24.881 -8.728 85 2HD ARG 11 HD1 ARG 11 -5.710 24.384 -8.027 86 HE ARG 11 HE ARG 11 -5.601 25.917 -10.561 87 1HH1 ARG 11 HH21 ARG 11 -3.176 25.652 -8.927 88 2HH1 ARG 11 HH22 ARG 11 -3.136 27.134 -8.031 89 1HH2 ARG 11 HH11 ARG 11 -6.463 27.898 -8.629 90 2HH2 ARG 11 HH12 ARG 11 -4.994 28.404 -7.863 91 H CYS 12 HN CYS 12 -5.249 19.465 -12.056 92 HA CYS 12 HA CYS 12 -2.596 20.093 -13.209 93 1HB CYS 12 HB2 CYS 12 -4.056 17.798 -12.737 94 2HB CYS 12 HB1 CYS 12 -4.310 18.048 -14.464 95 1HN NH2 13 H1 CYS 12 -2.453 21.501 -14.980 96 2HN NH2 13 H2 CYS 12 -3.705 21.823 -16.080 Start of MODEL 6 1 1H ACE 1 HA1 ACE 1 8.398 11.662 -6.680 2 2H ACE 1 HA2 ACE 1 7.397 12.449 -7.900 3 3H ACE 1 HA3 ACE 1 8.636 11.294 -8.389 4 H CYS 2 HN CYS 2 7.444 9.625 -9.277 5 HA CYS 2 HA CYS 2 4.906 8.740 -8.093 6 1HB CYS 2 HB2 CYS 2 5.683 8.798 -10.573 7 2HB CYS 2 HB1 CYS 2 6.537 7.303 -10.189 8 H HIS 3 HN HIS 3 4.599 6.892 -6.835 9 HA HIS 3 HA HIS 3 7.015 5.699 -5.616 10 1HB HIS 3 HB2 HIS 3 5.367 4.756 -4.051 11 2HB HIS 3 HB1 HIS 3 5.080 6.479 -4.282 12 HD1 HIS 3 HD1 HIS 3 2.681 5.112 -3.308 13 HD2 HIS 3 HD2 HIS 3 3.591 5.112 -7.376 14 HE1 HIS 3 HE1 HIS 3 0.517 4.621 -4.526 15 H TRP 4 HN TRP 4 6.854 3.230 -5.210 16 HA TRP 4 HA TRP 4 6.680 1.885 -7.817 17 1HB TRP 4 HB2 TRP 4 8.435 1.621 -5.943 18 2HB TRP 4 HB1 TRP 4 7.213 0.699 -5.070 19 HD1 TRP 4 HD1 TRP 4 7.832 -1.764 -5.314 20 HE1 TRP 4 HE1 TRP 4 8.461 -3.323 -7.269 21 HE3 TRP 4 HE3 TRP 4 8.120 1.643 -9.105 22 HZ2 TRP 4 HZ2 TRP 4 9.007 -3.147 -10.071 23 HZ3 TRP 4 HZ3 TRP 4 8.689 0.923 -11.401 24 HH2 TRP 4 HH2 TRP 4 9.134 -1.465 -11.891 25 H LEU 5 HN LEU 5 5.699 -0.506 -7.534 26 HA LEU 5 HA LEU 5 2.856 -0.190 -7.192 27 1HB LEU 5 HB2 LEU 5 4.712 -2.531 -7.674 28 2HB LEU 5 HB1 LEU 5 2.959 -2.669 -7.727 29 HG LEU 5 HG LEU 5 3.309 -0.554 -9.383 30 1HD1 LEU 5 HD11 LEU 5 5.876 -2.062 -9.274 31 2HD1 LEU 5 HD12 LEU 5 5.584 -0.369 -9.676 32 3HD1 LEU 5 HD13 LEU 5 5.282 -1.625 -10.876 33 1HD2 LEU 5 HD21 LEU 5 2.531 -1.997 -10.994 34 2HD2 LEU 5 HD22 LEU 5 2.341 -3.067 -9.606 35 3HD2 LEU 5 HD23 LEU 5 3.760 -3.213 -10.642 36 H ARG 6 HN ARG 6 5.255 -2.228 -5.606 37 HA ARG 6 HA ARG 6 5.128 -3.442 -3.558 38 1HB ARG 6 HB2 ARG 6 5.049 -1.823 -1.705 39 2HB ARG 6 HB1 ARG 6 5.981 -1.172 -3.051 40 1HG ARG 6 HG2 ARG 6 4.212 0.268 -3.718 41 2HG ARG 6 HG1 ARG 6 3.034 -0.587 -2.723 42 1HD ARG 6 HD2 ARG 6 3.584 0.607 -0.865 43 2HD ARG 6 HD1 ARG 6 5.323 0.468 -1.192 44 HE ARG 6 HE ARG 6 3.580 2.368 -2.715 45 1HH1 ARG 6 HH11 ARG 6 6.605 1.633 -3.161 46 2HH1 ARG 6 HH12 ARG 6 7.340 3.067 -2.526 47 1HH2 ARG 6 HH21 ARG 6 4.447 4.169 -0.955 48 2HH2 ARG 6 HH22 ARG 6 6.115 4.506 -1.275 49 H GLY 7 HN GLY 7 2.733 -3.865 -4.981 50 1HA GLY 7 HA2 GLY 7 0.928 -5.155 -3.685 51 2HA GLY 7 HA1 GLY 7 0.640 -3.619 -2.861 52 H ASP 8 HN ASP 8 0.606 -1.747 -4.747 53 HA ASP 8 HA ASP 8 -1.800 -2.394 -6.328 54 1HB ASP 8 HB2 ASP 8 -0.237 0.012 -5.478 55 2HB ASP 8 HB1 ASP 8 -1.273 0.165 -6.897 56 H MET 9 HN MET 9 -1.694 -1.141 -8.614 57 HA MET 9 HA MET 9 0.586 -2.363 -10.097 58 1HB MET 9 HB2 MET 9 -0.927 -2.109 -12.029 59 2HB MET 9 HB1 MET 9 -1.748 -2.934 -10.704 60 1HG MET 9 HG2 MET 9 -2.675 -0.674 -10.011 61 2HG MET 9 HG1 MET 9 -2.030 -0.029 -11.518 62 1HE MET 9 HE1 MET 9 -3.958 -1.343 -14.294 63 2HE MET 9 HE2 MET 9 -2.653 -2.407 -13.777 64 3HE MET 9 HE3 MET 9 -2.459 -0.661 -13.647 65 H ARG 10 HN ARG 10 1.350 -0.050 -8.744 66 HA ARG 10 HA ARG 10 1.120 2.222 -10.597 67 1HB ARG 10 HB2 ARG 10 2.409 1.849 -7.886 68 2HB ARG 10 HB1 ARG 10 2.314 3.392 -8.739 69 1HG ARG 10 HG2 ARG 10 -0.118 1.708 -8.085 70 2HG ARG 10 HG1 ARG 10 0.462 3.009 -7.046 71 1HD ARG 10 HD2 ARG 10 0.372 4.445 -9.257 72 2HD ARG 10 HD1 ARG 10 -0.760 3.187 -9.790 73 HE ARG 10 HE ARG 10 -1.137 4.630 -7.192 74 1HH1 ARG 10 HH11 ARG 10 -2.743 2.237 -8.524 75 2HH1 ARG 10 HH12 ARG 10 -4.185 3.092 -8.962 76 1HH2 ARG 10 HH21 ARG 10 -2.795 6.229 -8.471 77 2HH2 ARG 10 HH22 ARG 10 -4.214 5.349 -8.932 78 H ARG 11 HN ARG 11 2.377 0.495 -12.057 79 HA ARG 11 HA ARG 11 5.253 0.351 -11.639 80 1HB ARG 11 HB2 ARG 11 5.178 -0.630 -13.941 81 2HB ARG 11 HB1 ARG 11 4.000 -1.365 -12.854 82 1HG ARG 11 HG2 ARG 11 2.254 -0.634 -14.085 83 2HG ARG 11 HG1 ARG 11 2.933 0.985 -14.236 84 1HD ARG 11 HD2 ARG 11 2.775 -0.064 -16.464 85 2HD ARG 11 HD1 ARG 11 4.484 0.115 -16.017 86 HE ARG 11 HE ARG 11 4.301 -2.304 -15.170 87 1HH1 ARG 11 HH21 ARG 11 3.936 -1.555 -18.276 88 2HH1 ARG 11 HH22 ARG 11 2.853 -2.834 -18.712 89 1HH2 ARG 11 HH11 ARG 11 2.166 -3.730 -15.435 90 2HH2 ARG 11 HH12 ARG 11 1.852 -4.065 -17.105 91 H CYS 12 HN CYS 12 5.649 2.692 -11.337 92 HA CYS 12 HA CYS 12 5.355 4.441 -13.702 93 1HB CYS 12 HB2 CYS 12 5.959 4.651 -10.801 94 2HB CYS 12 HB1 CYS 12 6.709 5.873 -11.828 95 1HN NH2 13 H1 CYS 12 7.150 2.248 -14.216 96 2HN NH2 13 H2 CYS 12 8.729 2.858 -14.340 Start of MODEL 7 1 1H ACE 1 HA1 ACE 1 9.397 22.987 -10.435 2 2H ACE 1 HA2 ACE 1 10.247 21.519 -9.951 3 3H ACE 1 HA3 ACE 1 10.921 23.101 -9.557 4 H CYS 2 HN CYS 2 7.591 21.858 -9.212 5 HA CYS 2 HA CYS 2 7.826 21.839 -6.271 6 1HB CYS 2 HB2 CYS 2 6.089 23.604 -6.034 7 2HB CYS 2 HB1 CYS 2 7.537 24.215 -6.833 8 H HIS 3 HN HIS 3 7.236 19.598 -7.561 9 HA HIS 3 HA HIS 3 4.302 19.357 -7.960 10 1HB HIS 3 HB2 HIS 3 4.951 17.086 -8.745 11 2HB HIS 3 HB1 HIS 3 5.883 18.342 -9.556 12 HD1 HIS 3 HD1 HIS 3 6.194 15.689 -6.886 13 HD2 HIS 3 HD2 HIS 3 8.653 18.302 -9.008 14 HE1 HIS 3 HE1 HIS 3 8.577 15.005 -6.373 15 H TRP 4 HN TRP 4 4.819 19.971 -5.324 16 HA TRP 4 HA TRP 4 4.424 17.348 -3.888 17 1HB TRP 4 HB2 TRP 4 6.614 18.527 -3.484 18 2HB TRP 4 HB1 TRP 4 5.713 19.912 -2.872 19 HD1 TRP 4 HD1 TRP 4 5.828 19.900 -0.332 20 HE1 TRP 4 HE1 TRP 4 5.569 18.128 1.524 21 HE3 TRP 4 HE3 TRP 4 5.308 15.704 -3.186 22 HZ2 TRP 4 HZ2 TRP 4 5.193 15.299 1.764 23 HZ3 TRP 4 HZ3 TRP 4 5.005 13.488 -2.123 24 HH2 TRP 4 HH2 TRP 4 4.945 13.279 0.345 25 H LEU 5 HN LEU 5 2.086 17.786 -4.349 26 HA LEU 5 HA LEU 5 0.985 19.867 -2.523 27 1HB LEU 5 HB2 LEU 5 -1.055 19.525 -4.154 28 2HB LEU 5 HB1 LEU 5 0.305 20.526 -4.652 29 HG LEU 5 HG LEU 5 0.412 17.591 -5.248 30 1HD1 LEU 5 HD11 LEU 5 -1.860 18.273 -5.945 31 2HD1 LEU 5 HD12 LEU 5 -0.835 17.949 -7.343 32 3HD1 LEU 5 HD13 LEU 5 -1.171 19.612 -6.864 33 1HD2 LEU 5 HD21 LEU 5 1.129 19.787 -7.146 34 2HD2 LEU 5 HD22 LEU 5 1.943 18.251 -6.854 35 3HD2 LEU 5 HD23 LEU 5 2.141 19.584 -5.717 36 H ARG 6 HN ARG 6 -1.083 17.504 -3.973 37 HA ARG 6 HA ARG 6 -2.451 15.851 -2.998 38 1HB ARG 6 HB2 ARG 6 0.356 15.472 -2.240 39 2HB ARG 6 HB1 ARG 6 -0.762 14.706 -1.112 40 1HG ARG 6 HG2 ARG 6 -1.084 14.368 -4.091 41 2HG ARG 6 HG1 ARG 6 0.001 13.328 -3.167 42 1HD ARG 6 HD2 ARG 6 -1.823 12.559 -1.762 43 2HD ARG 6 HD1 ARG 6 -2.936 13.730 -2.496 44 HE ARG 6 HE ARG 6 -2.614 12.512 -4.660 45 1HH1 ARG 6 HH21 ARG 6 -4.065 10.577 -3.021 46 2HH1 ARG 6 HH22 ARG 6 -3.062 9.165 -3.078 47 1HH2 ARG 6 HH11 ARG 6 -0.257 10.875 -4.184 48 2HH2 ARG 6 HH12 ARG 6 -0.909 9.334 -3.735 49 H GLY 7 HN GLY 7 -2.199 18.613 -1.578 50 1HA GLY 7 HA2 GLY 7 -4.058 18.593 0.319 51 2HA GLY 7 HA1 GLY 7 -2.796 17.742 1.198 52 H ASP 8 HN ASP 8 -0.573 19.312 0.170 53 HA ASP 8 HA ASP 8 -0.843 21.607 1.980 54 1HB ASP 8 HB2 ASP 8 1.553 21.869 1.456 55 2HB ASP 8 HB1 ASP 8 1.171 20.196 1.853 56 H MET 9 HN MET 9 0.919 23.321 0.433 57 HA MET 9 HA MET 9 -1.083 24.884 -0.943 58 1HB MET 9 HB2 MET 9 0.939 26.265 -1.530 59 2HB MET 9 HB1 MET 9 0.817 25.893 0.189 60 1HG MET 9 HG2 MET 9 2.848 24.927 0.117 61 2HG MET 9 HG1 MET 9 2.235 23.745 -1.039 62 1HE MET 9 HE1 MET 9 4.778 23.736 -1.465 63 2HE MET 9 HE2 MET 9 5.305 25.263 -0.763 64 3HE MET 9 HE3 MET 9 5.654 24.914 -2.454 65 H ARG 10 HN ARG 10 -1.893 23.494 -2.579 66 HA ARG 10 HA ARG 10 -0.121 22.453 -4.679 67 1HB ARG 10 HB2 ARG 10 -2.253 21.524 -5.513 68 2HB ARG 10 HB1 ARG 10 -2.074 21.211 -3.787 69 1HG ARG 10 HG2 ARG 10 -3.914 22.417 -3.289 70 2HG ARG 10 HG1 ARG 10 -3.372 23.778 -4.272 71 1HD ARG 10 HD2 ARG 10 -4.243 22.724 -6.299 72 2HD ARG 10 HD1 ARG 10 -4.686 21.270 -5.384 73 HE ARG 10 HE ARG 10 -6.063 23.038 -3.962 74 1HH1 ARG 10 HH11 ARG 10 -7.405 21.706 -6.330 75 2HH1 ARG 10 HH12 ARG 10 -8.044 23.073 -7.180 76 1HH2 ARG 10 HH21 ARG 10 -6.069 25.377 -5.503 77 2HH2 ARG 10 HH22 ARG 10 -7.288 25.150 -6.712 78 H ARG 11 HN ARG 11 0.268 25.132 -4.704 79 HA ARG 11 HA ARG 11 -1.628 26.541 -6.434 80 1HB ARG 11 HB2 ARG 11 1.137 27.067 -5.325 81 2HB ARG 11 HB1 ARG 11 0.358 28.197 -6.432 82 1HG ARG 11 HG2 ARG 11 -1.547 28.418 -4.901 83 2HG ARG 11 HG1 ARG 11 -0.809 27.253 -3.799 84 1HD ARG 11 HD2 ARG 11 -0.250 29.442 -2.947 85 2HD ARG 11 HD1 ARG 11 1.221 28.828 -3.727 86 HE ARG 11 HE ARG 11 0.496 30.130 -5.776 87 1HH1 ARG 11 HH11 ARG 11 1.101 31.779 -3.155 88 2HH1 ARG 11 HH12 ARG 11 -0.100 33.016 -3.322 89 1HH2 ARG 11 HH21 ARG 11 -1.863 31.341 -5.793 90 2HH2 ARG 11 HH22 ARG 11 -1.778 32.768 -4.815 91 H CYS 12 HN CYS 12 1.333 24.689 -6.848 92 HA CYS 12 HA CYS 12 1.073 25.045 -9.812 93 1HB CYS 12 HB2 CYS 12 3.559 25.085 -9.879 94 2HB CYS 12 HB1 CYS 12 2.922 26.411 -8.909 95 1HN NH2 13 H1 CYS 12 2.898 23.188 -10.691 96 2HN NH2 13 H2 CYS 12 2.562 21.643 -10.072 Start of MODEL 8 1 1H ACE 1 HA1 ACE 1 -23.756 29.727 -20.033 2 2H ACE 1 HA2 ACE 1 -22.429 30.886 -19.952 3 3H ACE 1 HA3 ACE 1 -22.252 29.292 -19.220 4 H CYS 2 HN CYS 2 -22.618 27.438 -20.878 5 HA CYS 2 HA CYS 2 -21.777 26.344 -22.792 6 1HB CYS 2 HB2 CYS 2 -23.628 27.878 -23.635 7 2HB CYS 2 HB1 CYS 2 -22.356 29.008 -24.103 8 H HIS 3 HN HIS 3 -19.923 28.155 -21.135 9 HA HIS 3 HA HIS 3 -17.771 28.368 -23.218 10 1HB HIS 3 HB2 HIS 3 -17.041 30.436 -22.018 11 2HB HIS 3 HB1 HIS 3 -18.669 30.601 -22.674 12 HD1 HIS 3 HD1 HIS 3 -20.446 31.276 -21.042 13 HD2 HIS 3 HD2 HIS 3 -17.110 29.686 -19.113 14 HE1 HIS 3 HE1 HIS 3 -20.860 31.540 -18.557 15 H TRP 4 HN TRP 4 -18.281 26.161 -21.456 16 HA TRP 4 HA TRP 4 -16.306 26.469 -19.276 17 1HB TRP 4 HB2 TRP 4 -17.259 24.550 -18.360 18 2HB TRP 4 HB1 TRP 4 -18.617 25.331 -19.154 19 HD1 TRP 4 HD1 TRP 4 -18.405 22.211 -18.522 20 HE1 TRP 4 HE1 TRP 4 -18.714 20.536 -20.447 21 HE3 TRP 4 HE3 TRP 4 -17.243 25.220 -22.454 22 HZ2 TRP 4 HZ2 TRP 4 -18.494 20.488 -23.288 23 HZ3 TRP 4 HZ3 TRP 4 -17.305 24.330 -24.769 24 HH2 TRP 4 HH2 TRP 4 -17.920 21.976 -25.188 25 H LEU 5 HN LEU 5 -15.063 26.685 -21.735 26 HA LEU 5 HA LEU 5 -13.774 24.055 -22.181 27 1HB LEU 5 HB2 LEU 5 -14.219 26.578 -23.695 28 2HB LEU 5 HB1 LEU 5 -12.708 25.730 -24.037 29 HG LEU 5 HG LEU 5 -15.176 24.083 -23.891 30 1HD1 LEU 5 HD11 LEU 5 -15.517 24.640 -26.390 31 2HD1 LEU 5 HD12 LEU 5 -14.581 26.099 -26.062 32 3HD1 LEU 5 HD13 LEU 5 -16.103 25.820 -25.217 33 1HD2 LEU 5 HD21 LEU 5 -12.996 23.066 -24.345 34 2HD2 LEU 5 HD22 LEU 5 -12.734 24.172 -25.693 35 3HD2 LEU 5 HD23 LEU 5 -14.003 22.950 -25.787 36 H ARG 6 HN ARG 6 -13.131 25.340 -19.715 37 HA ARG 6 HA ARG 6 -11.266 26.048 -18.449 38 1HB ARG 6 HB2 ARG 6 -10.565 24.011 -20.114 39 2HB ARG 6 HB1 ARG 6 -9.410 25.248 -20.613 40 1HG ARG 6 HG2 ARG 6 -8.937 25.585 -18.112 41 2HG ARG 6 HG1 ARG 6 -9.804 24.070 -17.860 42 1HD ARG 6 HD2 ARG 6 -7.471 23.493 -18.049 43 2HD ARG 6 HD1 ARG 6 -8.210 23.043 -19.599 44 HE ARG 6 HE ARG 6 -7.491 25.626 -20.080 45 1HH1 ARG 6 HH21 ARG 6 -5.617 24.383 -17.716 46 2HH1 ARG 6 HH22 ARG 6 -4.147 24.281 -18.627 47 1HH2 ARG 6 HH11 ARG 6 -5.682 24.893 -21.675 48 2HH2 ARG 6 HH12 ARG 6 -4.184 24.570 -20.868 49 H GLY 7 HN GLY 7 -12.404 27.871 -20.691 50 1HA GLY 7 HA2 GLY 7 -11.892 30.173 -21.082 51 2HA GLY 7 HA1 GLY 7 -10.267 29.884 -20.461 52 H ASP 8 HN ASP 8 -11.805 27.959 -23.008 53 HA ASP 8 HA ASP 8 -9.646 28.906 -24.852 54 1HB ASP 8 HB2 ASP 8 -10.116 26.437 -23.933 55 2HB ASP 8 HB1 ASP 8 -11.195 26.405 -25.330 56 H MET 9 HN MET 9 -10.911 27.699 -27.140 57 HA MET 9 HA MET 9 -12.439 29.962 -28.079 58 1HB MET 9 HB2 MET 9 -11.913 27.138 -29.058 59 2HB MET 9 HB1 MET 9 -12.873 28.281 -29.992 60 1HG MET 9 HG2 MET 9 -10.909 29.886 -29.854 61 2HG MET 9 HG1 MET 9 -9.968 28.552 -29.183 62 1HE MET 9 HE1 MET 9 -10.744 25.829 -31.016 63 2HE MET 9 HE2 MET 9 -9.480 26.566 -30.034 64 3HE MET 9 HE3 MET 9 -9.168 26.202 -31.729 65 H ARG 10 HN ARG 10 -14.217 30.173 -26.632 66 HA ARG 10 HA ARG 10 -16.090 27.948 -26.218 67 1HB ARG 10 HB2 ARG 10 -17.230 29.653 -24.811 68 2HB ARG 10 HB1 ARG 10 -15.511 29.540 -24.437 69 1HG ARG 10 HG2 ARG 10 -15.020 31.593 -25.403 70 2HG ARG 10 HG1 ARG 10 -16.393 31.520 -26.509 71 1HD ARG 10 HD2 ARG 10 -16.849 31.711 -23.530 72 2HD ARG 10 HD1 ARG 10 -16.555 33.169 -24.497 73 HE ARG 10 HE ARG 10 -18.663 31.229 -25.343 74 1HH1 ARG 10 HH11 ARG 10 -18.303 33.708 -26.913 75 2HH1 ARG 10 HH12 ARG 10 -19.476 34.778 -26.221 76 1HH2 ARG 10 HH21 ARG 10 -19.890 32.891 -23.342 77 2HH2 ARG 10 HH22 ARG 10 -20.374 34.316 -24.200 78 H ARG 11 HN ARG 11 -15.975 28.455 -28.936 79 HA ARG 11 HA ARG 11 -18.114 30.306 -29.733 80 1HB ARG 11 HB2 ARG 11 -16.339 28.272 -31.105 81 2HB ARG 11 HB1 ARG 11 -17.594 29.152 -31.980 82 1HG ARG 11 HG2 ARG 11 -16.582 31.297 -31.209 83 2HG ARG 11 HG1 ARG 11 -15.285 30.379 -30.444 84 1HD ARG 11 HD2 ARG 11 -14.479 29.572 -32.554 85 2HD ARG 11 HD1 ARG 11 -15.933 30.142 -33.399 86 HE ARG 11 HE ARG 11 -15.184 32.486 -32.603 87 1HH1 ARG 11 HH21 ARG 11 -12.755 30.463 -31.708 88 2HH1 ARG 11 HH22 ARG 11 -11.513 31.180 -32.680 89 1HH2 ARG 11 HH11 ARG 11 -13.708 33.162 -34.492 90 2HH2 ARG 11 HH12 ARG 11 -12.053 32.708 -34.256 91 H CYS 12 HN CYS 12 -20.153 29.606 -29.026 92 HA CYS 12 HA CYS 12 -20.870 26.750 -29.099 93 1HB CYS 12 HB2 CYS 12 -22.431 29.273 -28.434 94 2HB CYS 12 HB1 CYS 12 -22.986 27.628 -28.129 95 1HN NH2 13 H1 CYS 12 -22.805 26.003 -30.389 96 2HN NH2 13 H2 CYS 12 -23.182 26.769 -31.856 Start of MODEL 9 1 1H ACE 1 HA1 ACE 1 17.967 14.340 5.836 2 2H ACE 1 HA2 ACE 1 18.157 14.169 4.090 3 3H ACE 1 HA3 ACE 1 19.481 14.810 5.064 4 H CYS 2 HN CYS 2 18.450 12.613 7.076 5 HA CYS 2 HA CYS 2 19.609 10.201 5.762 6 1HB CYS 2 HB2 CYS 2 21.136 9.916 7.680 7 2HB CYS 2 HB1 CYS 2 21.440 11.462 6.890 8 H HIS 3 HN HIS 3 16.997 10.399 6.158 9 HA HIS 3 HA HIS 3 16.138 9.563 8.833 10 1HB HIS 3 HB2 HIS 3 13.946 9.334 7.643 11 2HB HIS 3 HB1 HIS 3 14.702 10.899 7.339 12 HD1 HIS 3 HD1 HIS 3 13.930 7.606 5.694 13 HD2 HIS 3 HD2 HIS 3 15.662 11.257 4.679 14 HE1 HIS 3 HE1 HIS 3 14.192 7.598 3.175 15 H TRP 4 HN TRP 4 14.835 7.431 8.960 16 HA TRP 4 HA TRP 4 16.428 5.309 7.567 17 1HB TRP 4 HB2 TRP 4 16.333 5.761 10.130 18 2HB TRP 4 HB1 TRP 4 14.748 4.990 10.052 19 HD1 TRP 4 HD1 TRP 4 15.067 2.613 10.875 20 HE1 TRP 4 HE1 TRP 4 16.688 0.682 10.346 21 HE3 TRP 4 HE3 TRP 4 18.324 5.027 7.777 22 HZ2 TRP 4 HZ2 TRP 4 19.055 0.222 8.808 23 HZ3 TRP 4 HZ3 TRP 4 20.258 3.824 6.802 24 HH2 TRP 4 HH2 TRP 4 20.627 1.427 7.312 25 H LEU 5 HN LEU 5 14.975 3.131 7.685 26 HA LEU 5 HA LEU 5 12.738 3.636 5.856 27 1HB LEU 5 HB2 LEU 5 12.753 1.147 5.744 28 2HB LEU 5 HB1 LEU 5 14.361 1.826 5.494 29 HG LEU 5 HG LEU 5 13.967 1.443 8.312 30 1HD1 LEU 5 HD11 LEU 5 13.406 -0.985 6.586 31 2HD1 LEU 5 HD12 LEU 5 12.283 -0.223 7.712 32 3HD1 LEU 5 HD13 LEU 5 13.729 -1.030 8.321 33 1HD2 LEU 5 HD21 LEU 5 15.689 -0.281 6.541 34 2HD2 LEU 5 HD22 LEU 5 16.043 0.360 8.146 35 3HD2 LEU 5 HD23 LEU 5 16.059 1.431 6.744 36 H ARG 6 HN ARG 6 10.558 3.101 6.298 37 HA ARG 6 HA ARG 6 8.631 2.950 7.643 38 1HB ARG 6 HB2 ARG 6 10.467 0.851 8.237 39 2HB ARG 6 HB1 ARG 6 9.717 1.345 9.756 40 1HG ARG 6 HG2 ARG 6 7.552 0.874 8.985 41 2HG ARG 6 HG1 ARG 6 8.045 0.927 7.292 42 1HD ARG 6 HD2 ARG 6 8.104 -1.350 7.447 43 2HD ARG 6 HD1 ARG 6 9.631 -1.105 8.320 44 HE ARG 6 HE ARG 6 6.987 -1.186 9.730 45 1HH1 ARG 6 HH11 ARG 6 9.881 -0.470 10.804 46 2HH1 ARG 6 HH12 ARG 6 10.198 -1.911 11.712 47 1HH2 ARG 6 HH21 ARG 6 7.576 -3.691 10.304 48 2HH2 ARG 6 HH22 ARG 6 8.893 -3.734 11.428 49 H GLY 7 HN GLY 7 10.843 5.003 8.332 50 1HA GLY 7 HA2 GLY 7 11.224 6.598 10.020 51 2HA GLY 7 HA1 GLY 7 9.544 6.295 10.464 52 H ASP 8 HN ASP 8 12.191 3.938 10.570 53 HA ASP 8 HA ASP 8 11.485 3.206 13.308 54 1HB ASP 8 HB2 ASP 8 13.110 2.252 11.061 55 2HB ASP 8 HB1 ASP 8 13.890 1.977 12.618 56 H MET 9 HN MET 9 14.126 2.705 14.271 57 HA MET 9 HA MET 9 14.672 5.237 15.545 58 1HB MET 9 HB2 MET 9 16.174 2.607 15.339 59 2HB MET 9 HB1 MET 9 16.685 3.934 16.379 60 1HG MET 9 HG2 MET 9 14.091 3.762 17.125 61 2HG MET 9 HG1 MET 9 14.384 2.079 16.682 62 1HE MET 9 HE1 MET 9 17.006 1.509 16.925 63 2HE MET 9 HE2 MET 9 16.306 0.452 18.148 64 3HE MET 9 HE3 MET 9 17.731 1.412 18.536 65 H ARG 10 HN ARG 10 15.081 6.683 13.793 66 HA ARG 10 HA ARG 10 17.357 6.211 11.994 67 1HB ARG 10 HB2 ARG 10 16.587 8.353 11.024 68 2HB ARG 10 HB1 ARG 10 15.243 7.228 11.216 69 1HG ARG 10 HG2 ARG 10 14.358 8.395 13.054 70 2HG ARG 10 HG1 ARG 10 15.887 9.195 13.407 71 1HD ARG 10 HD2 ARG 10 14.933 9.822 10.713 72 2HD ARG 10 HD1 ARG 10 13.787 10.322 11.973 73 HE ARG 10 HE ARG 10 16.544 10.963 12.663 74 1HH1 ARG 10 HH21 ARG 10 15.942 12.189 9.926 75 2HH1 ARG 10 HH22 ARG 10 15.375 13.759 10.388 76 1HH2 ARG 10 HH11 ARG 10 14.860 12.891 13.703 77 2HH2 ARG 10 HH12 ARG 10 14.762 14.156 12.524 78 H ARG 11 HN ARG 11 18.461 6.160 14.391 79 HA ARG 11 HA ARG 11 19.125 8.734 15.551 80 1HB ARG 11 HB2 ARG 11 19.251 6.215 16.407 81 2HB ARG 11 HB1 ARG 11 20.884 6.301 15.746 82 1HG ARG 11 HG2 ARG 11 21.264 8.375 17.119 83 2HG ARG 11 HG1 ARG 11 19.687 8.110 17.868 84 1HD ARG 11 HD2 ARG 11 21.653 5.838 17.823 85 2HD ARG 11 HD1 ARG 11 21.858 7.125 19.026 86 HE ARG 11 HE ARG 11 19.378 5.473 18.736 87 1HH1 ARG 11 HH11 ARG 11 21.638 5.616 20.975 88 2HH1 ARG 11 HH12 ARG 11 20.708 6.346 22.241 89 1HH2 ARG 11 HH21 ARG 11 18.093 7.260 20.157 90 2HH2 ARG 11 HH22 ARG 11 18.702 7.276 21.778 91 H CYS 12 HN CYS 12 19.915 10.087 13.883 92 HA CYS 12 HA CYS 12 22.096 9.193 12.121 93 1HB CYS 12 HB2 CYS 12 20.024 10.836 11.788 94 2HB CYS 12 HB1 CYS 12 21.171 12.031 12.398 95 1HN NH2 13 H1 CYS 12 21.718 11.140 15.066 96 2HN NH2 13 H2 CYS 12 23.366 11.495 15.268 Start of MODEL 10 1 1H ACE 1 HA1 ACE 1 3.835 13.559 -21.219 2 2H ACE 1 HA2 ACE 1 4.791 14.703 -22.163 3 3H ACE 1 HA3 ACE 1 5.397 14.112 -20.617 4 H CYS 2 HN CYS 2 7.151 12.858 -21.086 5 HA CYS 2 HA CYS 2 6.772 10.430 -22.712 6 1HB CYS 2 HB2 CYS 2 7.447 12.690 -24.041 7 2HB CYS 2 HB1 CYS 2 9.054 12.140 -23.570 8 H HIS 3 HN HIS 3 7.342 9.526 -20.553 9 HA HIS 3 HA HIS 3 10.308 9.610 -20.062 10 1HB HIS 3 HB2 HIS 3 9.749 9.568 -17.640 11 2HB HIS 3 HB1 HIS 3 9.085 10.996 -18.434 12 HD1 HIS 3 HD1 HIS 3 8.110 7.944 -16.587 13 HD2 HIS 3 HD2 HIS 3 6.212 10.821 -18.930 14 HE1 HIS 3 HE1 HIS 3 5.626 7.663 -16.191 15 H TRP 4 HN TRP 4 10.711 7.710 -18.310 16 HA TRP 4 HA TRP 4 9.923 5.214 -19.677 17 1HB TRP 4 HB2 TRP 4 11.898 4.481 -18.800 18 2HB TRP 4 HB1 TRP 4 12.198 6.198 -18.608 19 HD1 TRP 4 HD1 TRP 4 12.584 7.065 -16.216 20 HE1 TRP 4 HE1 TRP 4 12.523 5.986 -13.873 21 HE3 TRP 4 HE3 TRP 4 10.541 2.585 -17.416 22 HZ2 TRP 4 HZ2 TRP 4 11.709 3.514 -12.670 23 HZ3 TRP 4 HZ3 TRP 4 10.138 0.862 -15.660 24 HH2 TRP 4 HH2 TRP 4 10.715 1.326 -13.295 25 H LEU 5 HN LEU 5 7.865 4.560 -19.147 26 HA LEU 5 HA LEU 5 7.149 4.430 -16.240 27 1HB LEU 5 HB2 LEU 5 4.796 4.609 -17.103 28 2HB LEU 5 HB1 LEU 5 5.791 6.010 -17.498 29 HG LEU 5 HG LEU 5 5.853 3.816 -19.487 30 1HD1 LEU 5 HD11 LEU 5 3.685 4.089 -20.329 31 2HD1 LEU 5 HD12 LEU 5 3.438 5.609 -19.471 32 3HD1 LEU 5 HD13 LEU 5 3.412 4.083 -18.587 33 1HD2 LEU 5 HD21 LEU 5 6.074 6.757 -19.326 34 2HD2 LEU 5 HD22 LEU 5 5.241 6.168 -20.763 35 3HD2 LEU 5 HD23 LEU 5 6.880 5.627 -20.411 36 H ARG 6 HN ARG 6 6.290 2.494 -15.457 37 HA ARG 6 HA ARG 6 5.976 0.164 -15.345 38 1HB ARG 6 HB2 ARG 6 4.559 1.311 -17.627 39 2HB ARG 6 HB1 ARG 6 4.906 -0.401 -17.865 40 1HG ARG 6 HG2 ARG 6 3.620 -1.058 -16.053 41 2HG ARG 6 HG1 ARG 6 3.848 0.471 -15.203 42 1HD ARG 6 HD2 ARG 6 2.287 1.604 -16.659 43 2HD ARG 6 HD1 ARG 6 2.195 0.198 -17.739 44 HE ARG 6 HE ARG 6 1.496 -0.892 -15.325 45 1HH1 ARG 6 HH11 ARG 6 -0.260 0.291 -17.738 46 2HH1 ARG 6 HH12 ARG 6 -1.533 0.995 -16.798 47 1HH2 ARG 6 HH21 ARG 6 0.170 0.719 -13.792 48 2HH2 ARG 6 HH22 ARG 6 -1.290 1.237 -14.566 49 H GLY 7 HN GLY 7 8.534 1.277 -16.728 50 1HA GLY 7 HA2 GLY 7 10.419 0.386 -17.809 51 2HA GLY 7 HA1 GLY 7 9.861 -1.161 -17.173 52 H ASP 8 HN ASP 8 7.715 0.529 -19.312 53 HA ASP 8 HA ASP 8 8.107 -1.599 -21.342 54 1HB ASP 8 HB2 ASP 8 5.884 -0.876 -20.306 55 2HB ASP 8 HB1 ASP 8 6.043 0.614 -21.237 56 H MET 9 HN MET 9 8.182 -0.944 -23.661 57 HA MET 9 HA MET 9 10.082 1.257 -24.090 58 1HB MET 9 HB2 MET 9 9.905 0.437 -26.462 59 2HB MET 9 HB1 MET 9 10.301 -0.839 -25.314 60 1HG MET 9 HG2 MET 9 8.455 -1.986 -25.898 61 2HG MET 9 HG1 MET 9 7.438 -0.603 -25.498 62 1HE MET 9 HE1 MET 9 6.887 -2.788 -27.702 63 2HE MET 9 HE2 MET 9 8.607 -2.959 -28.045 64 3HE MET 9 HE3 MET 9 7.505 -2.468 -29.328 65 H ARG 10 HN ARG 10 8.670 3.003 -23.400 66 HA ARG 10 HA ARG 10 6.204 3.577 -24.860 67 1HB ARG 10 HB2 ARG 10 6.662 4.017 -22.424 68 2HB ARG 10 HB1 ARG 10 7.811 5.260 -22.918 69 1HG ARG 10 HG2 ARG 10 5.890 6.536 -22.631 70 2HG ARG 10 HG1 ARG 10 5.769 6.140 -24.345 71 1HD ARG 10 HD2 ARG 10 4.530 3.966 -23.263 72 2HD ARG 10 HD1 ARG 10 4.089 5.218 -22.085 73 HE ARG 10 HE ARG 10 3.392 6.605 -24.130 74 1HH1 ARG 10 HH11 ARG 10 4.193 4.748 -26.270 75 2HH1 ARG 10 HH12 ARG 10 2.734 3.873 -26.596 76 1HH2 ARG 10 HH21 ARG 10 1.202 4.795 -23.626 77 2HH2 ARG 10 HH22 ARG 10 1.041 3.900 -25.100 78 H ARG 11 HN ARG 11 8.145 3.428 -26.765 79 HA ARG 11 HA ARG 11 8.988 4.631 -28.611 80 1HB ARG 11 HB2 ARG 11 7.426 6.877 -27.291 81 2HB ARG 11 HB1 ARG 11 7.999 6.867 -28.955 82 1HG ARG 11 HG2 ARG 11 6.174 4.724 -27.845 83 2HG ARG 11 HG1 ARG 11 5.567 6.184 -28.627 84 1HD ARG 11 HD2 ARG 11 6.375 5.559 -30.726 85 2HD ARG 11 HD1 ARG 11 7.648 4.530 -30.039 86 HE ARG 11 HE ARG 11 5.880 2.911 -29.401 87 1HH1 ARG 11 HH21 ARG 11 5.715 3.076 -32.371 88 2HH1 ARG 11 HH22 ARG 11 4.024 3.343 -32.636 89 1HH2 ARG 11 HH11 ARG 11 3.393 4.297 -29.363 90 2HH2 ARG 11 HH12 ARG 11 2.710 4.035 -30.933 91 H CYS 12 HN CYS 12 8.974 7.313 -26.244 92 HA CYS 12 HA CYS 12 11.838 7.769 -26.781 93 1HB CYS 12 HB2 CYS 12 11.418 9.801 -25.439 94 2HB CYS 12 HB1 CYS 12 10.172 9.600 -26.669 95 1HN NH2 13 H1 CYS 12 11.699 5.301 -25.521 96 2HN NH2 13 H2 CYS 12 12.203 5.421 -23.904 Start of MODEL 11 1 1H ACE 1 HA1 ACE 1 43.026 25.569 26.641 2 2H ACE 1 HA2 ACE 1 43.812 26.741 27.699 3 3H ACE 1 HA3 ACE 1 44.115 26.777 25.961 4 H CYS 2 HN CYS 2 42.863 28.139 24.764 5 HA CYS 2 HA CYS 2 40.747 29.686 26.104 6 1HB CYS 2 HB2 CYS 2 42.480 30.667 24.601 7 2HB CYS 2 HB1 CYS 2 41.826 29.722 23.261 8 H HIS 3 HN HIS 3 38.708 28.832 26.172 9 HA HIS 3 HA HIS 3 37.830 26.848 24.132 10 1HB HIS 3 HB2 HIS 3 35.995 26.509 25.771 11 2HB HIS 3 HB1 HIS 3 37.579 26.389 26.532 12 HD1 HIS 3 HD1 HIS 3 34.532 28.575 26.356 13 HD2 HIS 3 HD2 HIS 3 38.204 28.521 28.328 14 HE1 HIS 3 HE1 HIS 3 34.405 30.352 28.155 15 H TRP 4 HN TRP 4 36.827 27.696 22.336 16 HA TRP 4 HA TRP 4 35.225 30.219 22.580 17 1HB TRP 4 HB2 TRP 4 37.077 30.053 20.925 18 2HB TRP 4 HB1 TRP 4 36.300 28.648 20.203 19 HD1 TRP 4 HD1 TRP 4 35.464 29.462 17.944 20 HE1 TRP 4 HE1 TRP 4 33.974 31.396 17.120 21 HE3 TRP 4 HE3 TRP 4 34.934 32.085 22.289 22 HZ2 TRP 4 HZ2 TRP 4 32.722 33.746 18.163 23 HZ3 TRP 4 HZ3 TRP 4 33.586 34.156 22.348 24 HH2 TRP 4 HH2 TRP 4 32.480 34.992 20.295 25 H LEU 5 HN LEU 5 33.972 27.989 23.698 26 HA LEU 5 HA LEU 5 32.190 26.803 21.652 27 1HB LEU 5 HB2 LEU 5 31.475 25.395 23.516 28 2HB LEU 5 HB1 LEU 5 33.234 25.480 23.476 29 HG LEU 5 HG LEU 5 32.578 27.632 25.084 30 1HD1 LEU 5 HD11 LEU 5 31.065 26.256 26.791 31 2HD1 LEU 5 HD12 LEU 5 30.501 25.485 25.309 32 3HD1 LEU 5 HD13 LEU 5 30.335 27.228 25.514 33 1HD2 LEU 5 HD21 LEU 5 33.000 24.844 26.173 34 2HD2 LEU 5 HD22 LEU 5 33.613 26.371 26.808 35 3HD2 LEU 5 HD23 LEU 5 34.285 25.702 25.321 36 H ARG 6 HN ARG 6 30.110 27.410 21.313 37 HA ARG 6 HA ARG 6 28.165 28.746 21.398 38 1HB ARG 6 HB2 ARG 6 28.746 27.411 23.920 39 2HB ARG 6 HB1 ARG 6 27.714 28.822 24.148 40 1HG ARG 6 HG2 ARG 6 26.242 27.957 22.303 41 2HG ARG 6 HG1 ARG 6 27.216 26.486 22.288 42 1HD ARG 6 HD2 ARG 6 26.094 27.437 24.908 43 2HD ARG 6 HD1 ARG 6 25.034 26.573 23.776 44 HE ARG 6 HE ARG 6 27.605 25.468 24.841 45 1HH1 ARG 6 HH11 ARG 6 24.502 24.774 25.255 46 2HH1 ARG 6 HH12 ARG 6 24.485 23.227 24.477 47 1HH2 ARG 6 HH21 ARG 6 27.603 23.634 23.016 48 2HH2 ARG 6 HH22 ARG 6 26.241 22.581 23.209 49 H GLY 7 HN GLY 7 30.802 30.316 21.755 50 1HA GLY 7 HA2 GLY 7 31.323 32.570 22.182 51 2HA GLY 7 HA1 GLY 7 29.590 32.859 22.273 52 H ASP 8 HN ASP 8 31.796 30.901 24.281 53 HA ASP 8 HA ASP 8 30.507 31.934 26.719 54 1HB ASP 8 HB2 ASP 8 31.581 29.565 25.983 55 2HB ASP 8 HB1 ASP 8 32.982 30.284 26.779 56 H MET 9 HN MET 9 32.684 32.049 28.445 57 HA MET 9 HA MET 9 33.772 34.695 27.785 58 1HB MET 9 HB2 MET 9 34.699 34.501 30.080 59 2HB MET 9 HB1 MET 9 32.985 34.104 30.036 60 1HG MET 9 HG2 MET 9 34.033 31.637 29.613 61 2HG MET 9 HG1 MET 9 35.319 32.351 30.582 62 1HE MET 9 HE1 MET 9 33.563 30.191 33.134 63 2HE MET 9 HE2 MET 9 34.611 30.190 31.718 64 3HE MET 9 HE3 MET 9 32.897 29.830 31.535 65 H ARG 10 HN ARG 10 35.049 34.030 25.903 66 HA ARG 10 HA ARG 10 37.323 32.212 26.287 67 1HB ARG 10 HB2 ARG 10 37.718 32.762 23.896 68 2HB ARG 10 HB1 ARG 10 36.042 32.291 24.181 69 1HG ARG 10 HG2 ARG 10 35.239 34.390 23.751 70 2HG ARG 10 HG1 ARG 10 36.646 35.187 24.454 71 1HD ARG 10 HD2 ARG 10 37.262 33.648 22.012 72 2HD ARG 10 HD1 ARG 10 36.166 35.020 21.750 73 HE ARG 10 HE ARG 10 38.813 35.276 23.135 74 1HH1 ARG 10 HH11 ARG 10 38.336 36.035 20.191 75 2HH1 ARG 10 HH12 ARG 10 38.144 37.751 20.330 76 1HH2 ARG 10 HH21 ARG 10 37.655 37.685 23.762 77 2HH2 ARG 10 HH22 ARG 10 37.759 38.684 22.351 78 H ARG 11 HN ARG 11 37.682 34.129 28.133 79 HA ARG 11 HA ARG 11 39.143 36.454 27.182 80 1HB ARG 11 HB2 ARG 11 38.620 35.053 29.795 81 2HB ARG 11 HB1 ARG 11 39.847 36.317 29.735 82 1HG ARG 11 HG2 ARG 11 37.598 37.323 28.332 83 2HG ARG 11 HG1 ARG 11 36.979 36.597 29.814 84 1HD ARG 11 HD2 ARG 11 39.259 38.607 29.700 85 2HD ARG 11 HD1 ARG 11 37.590 38.982 30.172 86 HE ARG 11 HE ARG 11 38.743 36.733 31.649 87 1HH1 ARG 11 HH11 ARG 11 40.073 39.679 31.696 88 2HH1 ARG 11 HH12 ARG 11 39.527 40.162 33.267 89 1HH2 ARG 11 HH21 ARG 11 37.272 37.548 33.583 90 2HH2 ARG 11 HH22 ARG 11 37.943 38.957 34.335 91 H CYS 12 HN CYS 12 40.704 35.428 25.735 92 HA CYS 12 HA CYS 12 43.073 34.335 27.190 93 1HB CYS 12 HB2 CYS 12 43.221 32.563 25.454 94 2HB CYS 12 HB1 CYS 12 41.702 32.462 26.341 95 1HN NH2 13 H1 CYS 12 45.020 35.208 26.334 96 2HN NH2 13 H2 CYS 12 45.112 36.128 24.910 Start of MODEL 12 1 1H ACE 1 HA1 ACE 1 13.089 16.154 -34.129 2 2H ACE 1 HA2 ACE 1 14.023 16.980 -32.882 3 3H ACE 1 HA3 ACE 1 13.233 17.912 -34.154 4 H CYS 2 HN CYS 2 11.956 19.143 -32.699 5 HA CYS 2 HA CYS 2 10.106 19.579 -31.287 6 1HB CYS 2 HB2 CYS 2 9.467 17.293 -33.084 7 2HB CYS 2 HB1 CYS 2 8.349 17.565 -31.749 8 H HIS 3 HN HIS 3 12.202 18.443 -29.892 9 HA HIS 3 HA HIS 3 11.218 16.109 -28.351 10 1HB HIS 3 HB2 HIS 3 13.468 16.340 -27.291 11 2HB HIS 3 HB1 HIS 3 13.565 16.277 -29.048 12 HD1 HIS 3 HD1 HIS 3 13.362 18.941 -26.319 13 HD2 HIS 3 HD2 HIS 3 15.007 18.388 -30.107 14 HE1 HIS 3 HE1 HIS 3 14.733 21.009 -26.811 15 H TRP 4 HN TRP 4 10.379 16.271 -26.260 16 HA TRP 4 HA TRP 4 9.705 18.981 -25.272 17 1HB TRP 4 HB2 TRP 4 8.084 17.076 -25.416 18 2HB TRP 4 HB1 TRP 4 9.032 16.219 -24.198 19 HD1 TRP 4 HD1 TRP 4 7.891 16.445 -21.932 20 HE1 TRP 4 HE1 TRP 4 6.766 18.357 -20.618 21 HE3 TRP 4 HE3 TRP 4 8.098 20.161 -25.427 22 HZ2 TRP 4 HZ2 TRP 4 6.048 21.097 -21.001 23 HZ3 TRP 4 HZ3 TRP 4 7.187 22.409 -24.926 24 HH2 TRP 4 HH2 TRP 4 6.164 22.881 -22.719 25 H LEU 5 HN LEU 5 11.089 20.003 -23.881 26 HA LEU 5 HA LEU 5 12.676 18.336 -21.952 27 1HB LEU 5 HB2 LEU 5 13.280 20.858 -23.502 28 2HB LEU 5 HB1 LEU 5 14.208 20.427 -22.066 29 HG LEU 5 HG LEU 5 13.815 18.541 -24.400 30 1HD1 LEU 5 HD11 LEU 5 16.356 20.056 -23.845 31 2HD1 LEU 5 HD12 LEU 5 15.086 20.794 -24.821 32 3HD1 LEU 5 HD13 LEU 5 15.831 19.283 -25.340 33 1HD2 LEU 5 HD21 LEU 5 16.053 17.716 -23.248 34 2HD2 LEU 5 HD22 LEU 5 14.489 17.241 -22.586 35 3HD2 LEU 5 HD23 LEU 5 15.397 18.561 -21.847 36 H ARG 6 HN ARG 6 10.263 18.840 -20.980 37 HA ARG 6 HA ARG 6 9.034 19.938 -19.294 38 1HB ARG 6 HB2 ARG 6 11.656 19.534 -18.529 39 2HB ARG 6 HB1 ARG 6 11.422 21.248 -18.183 40 1HG ARG 6 HG2 ARG 6 9.204 19.447 -17.369 41 2HG ARG 6 HG1 ARG 6 10.705 19.286 -16.457 42 1HD ARG 6 HD2 ARG 6 9.916 22.089 -16.928 43 2HD ARG 6 HD1 ARG 6 8.775 21.174 -15.923 44 HE ARG 6 HE ARG 6 11.117 20.402 -14.818 45 1HH1 ARG 6 HH11 ARG 6 9.237 23.052 -14.431 46 2HH1 ARG 6 HH12 ARG 6 10.483 24.126 -13.888 47 1HH2 ARG 6 HH21 ARG 6 13.070 21.974 -14.725 48 2HH2 ARG 6 HH22 ARG 6 12.653 23.516 -14.055 49 H GLY 7 HN GLY 7 9.912 21.552 -21.854 50 1HA GLY 7 HA2 GLY 7 8.882 23.691 -22.416 51 2HA GLY 7 HA1 GLY 7 9.042 24.168 -20.729 52 H ASP 8 HN ASP 8 11.669 22.643 -22.480 53 HA ASP 8 HA ASP 8 13.388 24.977 -21.964 54 1HB ASP 8 HB2 ASP 8 13.751 22.311 -21.924 55 2HB ASP 8 HB1 ASP 8 14.270 22.640 -23.578 56 H MET 9 HN MET 9 14.996 24.442 -24.349 57 HA MET 9 HA MET 9 13.718 26.343 -26.156 58 1HB MET 9 HB2 MET 9 16.270 24.713 -26.137 59 2HB MET 9 HB1 MET 9 15.863 25.793 -27.471 60 1HG MET 9 HG2 MET 9 15.593 27.645 -25.770 61 2HG MET 9 HG1 MET 9 16.255 26.542 -24.563 62 1HE MET 9 HE1 MET 9 19.758 25.730 -25.721 63 2HE MET 9 HE2 MET 9 18.441 24.896 -26.540 64 3HE MET 9 HE3 MET 9 18.313 25.253 -24.819 65 H ARG 10 HN ARG 10 11.796 25.063 -26.711 66 HA ARG 10 HA ARG 10 12.135 22.567 -28.229 67 1HB ARG 10 HB2 ARG 10 9.662 22.647 -28.227 68 2HB ARG 10 HB1 ARG 10 10.300 22.911 -26.606 69 1HG ARG 10 HG2 ARG 10 10.158 25.457 -27.875 70 2HG ARG 10 HG1 ARG 10 8.621 24.645 -28.165 71 1HD ARG 10 HD2 ARG 10 8.153 24.434 -25.861 72 2HD ARG 10 HD1 ARG 10 9.851 24.676 -25.405 73 HE ARG 10 HE ARG 10 9.558 27.044 -26.342 74 1HH1 ARG 10 HH21 ARG 10 6.587 25.754 -26.754 75 2HH1 ARG 10 HH22 ARG 10 5.730 26.833 -25.704 76 1HH2 ARG 10 HH11 ARG 10 8.600 28.187 -24.311 77 2HH2 ARG 10 HH12 ARG 10 6.868 28.209 -24.322 78 H ARG 11 HN ARG 11 13.505 24.397 -29.641 79 HA ARG 11 HA ARG 11 11.912 25.922 -31.536 80 1HB ARG 11 HB2 ARG 11 14.439 26.052 -30.742 81 2HB ARG 11 HB1 ARG 11 14.701 24.930 -32.078 82 1HG ARG 11 HG2 ARG 11 13.228 26.683 -33.414 83 2HG ARG 11 HG1 ARG 11 13.781 27.783 -32.150 84 1HD ARG 11 HD2 ARG 11 15.797 26.027 -33.526 85 2HD ARG 11 HD1 ARG 11 15.239 27.508 -34.330 86 HE ARG 11 HE ARG 11 16.193 28.800 -32.546 87 1HH1 ARG 11 HH21 ARG 11 18.097 26.304 -32.858 88 2HH1 ARG 11 HH22 ARG 11 18.453 26.016 -31.187 89 1HH2 ARG 11 HH11 ARG 11 15.900 28.051 -30.018 90 2HH2 ARG 11 HH12 ARG 11 17.209 27.005 -29.580 91 H CYS 12 HN CYS 12 10.485 24.711 -32.753 92 HA CYS 12 HA CYS 12 11.631 22.523 -34.449 93 1HB CYS 12 HB2 CYS 12 10.344 21.880 -32.254 94 2HB CYS 12 HB1 CYS 12 8.909 22.352 -33.162 95 1HN NH2 13 H1 CYS 12 10.415 22.271 -36.494 96 2HN NH2 13 H2 CYS 12 9.360 23.483 -37.044 Start of MODEL 13 1 1H ACE 1 HA1 ACE 1 6.799 17.849 -2.877 2 2H ACE 1 HA2 ACE 1 8.081 18.119 -1.696 3 3H ACE 1 HA3 ACE 1 7.243 19.493 -2.417 4 H CYS 2 HN CYS 2 4.589 18.402 -2.223 5 HA CYS 2 HA CYS 2 4.099 17.769 0.613 6 1HB CYS 2 HB2 CYS 2 2.814 19.883 0.952 7 2HB CYS 2 HB1 CYS 2 4.522 20.187 0.638 8 H HIS 3 HN HIS 3 3.437 16.746 -2.179 9 HA HIS 3 HA HIS 3 0.450 16.643 -1.823 10 1HB HIS 3 HB2 HIS 3 0.373 16.640 -4.345 11 2HB HIS 3 HB1 HIS 3 1.003 18.140 -3.666 12 HD1 HIS 3 HD1 HIS 3 1.967 15.192 -5.726 13 HD2 HIS 3 HD2 HIS 3 3.857 18.470 -3.979 14 HE1 HIS 3 HE1 HIS 3 4.283 15.312 -6.747 15 H TRP 4 HN TRP 4 1.996 14.672 -0.695 16 HA TRP 4 HA TRP 4 2.332 12.431 -2.600 17 1HB TRP 4 HB2 TRP 4 3.941 12.867 -0.778 18 2HB TRP 4 HB1 TRP 4 2.654 12.700 0.414 19 HD1 TRP 4 HD1 TRP 4 2.896 10.465 1.578 20 HE1 TRP 4 HE1 TRP 4 3.398 8.044 0.851 21 HE3 TRP 4 HE3 TRP 4 3.723 11.196 -3.402 22 HZ2 TRP 4 HZ2 TRP 4 4.065 6.608 -1.528 23 HZ3 TRP 4 HZ3 TRP 4 4.293 9.287 -4.877 24 HH2 TRP 4 HH2 TRP 4 4.462 6.995 -3.947 25 H LEU 5 HN LEU 5 -0.337 13.209 -2.590 26 HA LEU 5 HA LEU 5 -1.741 11.350 -0.753 27 1HB LEU 5 HB2 LEU 5 -2.550 13.644 -2.544 28 2HB LEU 5 HB1 LEU 5 -3.740 12.622 -1.737 29 HG LEU 5 HG LEU 5 -2.005 13.193 0.317 30 1HD1 LEU 5 HD11 LEU 5 -2.116 15.878 -0.071 31 2HD1 LEU 5 HD12 LEU 5 -1.841 15.333 -1.724 32 3HD1 LEU 5 HD13 LEU 5 -0.700 14.899 -0.453 33 1HD2 LEU 5 HD21 LEU 5 -3.844 15.136 0.666 34 2HD2 LEU 5 HD22 LEU 5 -4.220 13.427 0.890 35 3HD2 LEU 5 HD23 LEU 5 -4.635 14.229 -0.624 36 H ARG 6 HN ARG 6 -0.244 10.836 -3.535 37 HA ARG 6 HA ARG 6 -0.499 9.264 -5.269 38 1HB ARG 6 HB2 ARG 6 -1.459 8.180 -3.000 39 2HB ARG 6 HB1 ARG 6 -2.933 8.152 -3.969 40 1HG ARG 6 HG2 ARG 6 -1.496 7.105 -5.826 41 2HG ARG 6 HG1 ARG 6 -0.280 6.842 -4.576 42 1HD ARG 6 HD2 ARG 6 -2.085 5.657 -3.220 43 2HD ARG 6 HD1 ARG 6 -3.092 5.712 -4.681 44 HE ARG 6 HE ARG 6 -0.440 4.336 -4.516 45 1HH1 ARG 6 HH11 ARG 6 -3.223 3.000 -4.745 46 2HH1 ARG 6 HH12 ARG 6 -3.218 2.561 -6.421 47 1HH2 ARG 6 HH21 ARG 6 -0.539 4.611 -7.224 48 2HH2 ARG 6 HH22 ARG 6 -1.698 3.473 -7.824 49 H GLY 7 HN GLY 7 -2.433 11.808 -5.016 50 1HA GLY 7 HA2 GLY 7 -3.537 12.550 -7.121 51 2HA GLY 7 HA1 GLY 7 -4.172 10.915 -7.283 52 H ASP 8 HN ASP 8 -4.229 11.982 -4.056 53 HA ASP 8 HA ASP 8 -7.172 12.193 -4.105 54 1HB ASP 8 HB2 ASP 8 -5.243 11.212 -2.385 55 2HB ASP 8 HB1 ASP 8 -5.702 12.733 -1.620 56 H MET 9 HN MET 9 -7.169 14.023 -1.817 57 HA MET 9 HA MET 9 -7.340 16.543 -3.276 58 1HB MET 9 HB2 MET 9 -7.581 15.738 -0.358 59 2HB MET 9 HB1 MET 9 -7.931 17.362 -0.950 60 1HG MET 9 HG2 MET 9 -9.522 16.184 -2.624 61 2HG MET 9 HG1 MET 9 -9.381 14.788 -1.555 62 1HE MET 9 HE1 MET 9 -11.344 18.449 -1.783 63 2HE MET 9 HE2 MET 9 -9.583 18.401 -1.759 64 3HE MET 9 HE3 MET 9 -10.460 18.993 -0.350 65 H ARG 10 HN ARG 10 -4.926 16.311 -3.886 66 HA ARG 10 HA ARG 10 -2.980 16.970 -1.783 67 1HB ARG 10 HB2 ARG 10 -1.403 16.810 -3.696 68 2HB ARG 10 HB1 ARG 10 -2.464 15.406 -3.617 69 1HG ARG 10 HG2 ARG 10 -3.791 16.165 -5.428 70 2HG ARG 10 HG1 ARG 10 -3.152 17.805 -5.318 71 1HD ARG 10 HD2 ARG 10 -1.022 17.137 -6.197 72 2HD ARG 10 HD1 ARG 10 -1.418 15.415 -6.017 73 HE ARG 10 HE ARG 10 -3.457 16.284 -7.612 74 1HH1 ARG 10 HH21 ARG 10 -0.802 14.838 -8.460 75 2HH1 ARG 10 HH22 ARG 10 -0.386 15.793 -9.844 76 1HH2 ARG 10 HH11 ARG 10 -2.603 18.348 -9.080 77 2HH2 ARG 10 HH12 ARG 10 -1.405 17.780 -10.195 78 H ARG 11 HN ARG 11 -4.840 18.983 -1.843 79 HA ARG 11 HA ARG 11 -4.020 21.159 -3.628 80 1HB ARG 11 HB2 ARG 11 -5.921 20.801 -1.307 81 2HB ARG 11 HB1 ARG 11 -5.660 22.383 -2.044 82 1HG ARG 11 HG2 ARG 11 -6.127 21.169 -4.293 83 2HG ARG 11 HG1 ARG 11 -6.830 19.901 -3.287 84 1HD ARG 11 HD2 ARG 11 -8.509 21.346 -2.434 85 2HD ARG 11 HD1 ARG 11 -7.645 22.800 -2.974 86 HE ARG 11 HE ARG 11 -8.697 20.801 -4.940 87 1HH1 ARG 11 HH11 ARG 11 -10.393 23.177 -3.885 88 2HH1 ARG 11 HH12 ARG 11 -10.185 24.301 -5.187 89 1HH2 ARG 11 HH21 ARG 11 -7.496 22.605 -6.573 90 2HH2 ARG 11 HH22 ARG 11 -8.544 23.977 -6.709 91 H CYS 12 HN CYS 12 -1.777 21.511 -3.080 92 HA CYS 12 HA CYS 12 -1.072 22.153 -0.284 93 1HB CYS 12 HB2 CYS 12 0.263 20.859 -2.139 94 2HB CYS 12 HB1 CYS 12 0.696 22.475 -2.698 95 1HN NH2 13 H1 CYS 12 -0.006 24.304 0.203 96 2HN NH2 13 H2 CYS 12 -0.492 25.685 -0.656 Start of MODEL 14 1 1H ACE 1 HA1 ACE 1 13.999 18.625 -13.513 2 2H ACE 1 HA2 ACE 1 15.652 18.987 -13.017 3 3H ACE 1 HA3 ACE 1 14.353 20.124 -12.654 4 H CYS 2 HN CYS 2 13.436 19.957 -10.654 5 HA CYS 2 HA CYS 2 14.309 17.816 -8.844 6 1HB CYS 2 HB2 CYS 2 12.436 20.185 -8.529 7 2HB CYS 2 HB1 CYS 2 13.046 19.191 -7.205 8 H HIS 3 HN HIS 3 13.040 16.129 -8.108 9 HA HIS 3 HA HIS 3 10.329 15.805 -9.354 10 1HB HIS 3 HB2 HIS 3 10.816 13.388 -9.026 11 2HB HIS 3 HB1 HIS 3 12.037 14.190 -10.008 12 HD1 HIS 3 HD1 HIS 3 14.412 14.289 -9.111 13 HD2 HIS 3 HD2 HIS 3 11.702 12.811 -6.310 14 HE1 HIS 3 HE1 HIS 3 15.791 13.407 -7.178 15 H TRP 4 HN TRP 4 9.589 13.674 -7.655 16 HA TRP 4 HA TRP 4 8.465 15.145 -5.394 17 1HB TRP 4 HB2 TRP 4 7.152 13.514 -6.570 18 2HB TRP 4 HB1 TRP 4 8.414 12.294 -6.433 19 HD1 TRP 4 HD1 TRP 4 7.973 10.575 -4.639 20 HE1 TRP 4 HE1 TRP 4 6.708 10.521 -2.393 21 HE3 TRP 4 HE3 TRP 4 6.344 15.411 -4.425 22 HZ2 TRP 4 HZ2 TRP 4 5.215 12.292 -0.729 23 HZ3 TRP 4 HZ3 TRP 4 5.008 16.196 -2.495 24 HH2 TRP 4 HH2 TRP 4 4.443 14.646 -0.650 25 H LEU 5 HN LEU 5 10.581 15.673 -4.287 26 HA LEU 5 HA LEU 5 11.749 13.309 -2.860 27 1HB LEU 5 HB2 LEU 5 13.768 14.678 -2.706 28 2HB LEU 5 HB1 LEU 5 13.209 14.631 -4.378 29 HG LEU 5 HG LEU 5 11.848 16.805 -3.396 30 1HD1 LEU 5 HD11 LEU 5 13.078 18.001 -1.860 31 2HD1 LEU 5 HD12 LEU 5 14.607 17.293 -2.380 32 3HD1 LEU 5 HD13 LEU 5 13.514 16.370 -1.349 33 1HD2 LEU 5 HD21 LEU 5 14.633 17.141 -4.473 34 2HD2 LEU 5 HD22 LEU 5 13.170 18.036 -4.885 35 3HD2 LEU 5 HD23 LEU 5 13.394 16.390 -5.478 36 H ARG 6 HN ARG 6 11.497 13.185 -0.705 37 HA ARG 6 HA ARG 6 10.704 13.697 1.465 38 1HB ARG 6 HB2 ARG 6 12.908 15.279 0.537 39 2HB ARG 6 HB1 ARG 6 11.956 16.250 1.658 40 1HG ARG 6 HG2 ARG 6 12.668 13.406 2.337 41 2HG ARG 6 HG1 ARG 6 13.819 14.711 2.630 42 1HD ARG 6 HD2 ARG 6 12.727 15.071 4.588 43 2HD ARG 6 HD1 ARG 6 11.373 15.688 3.620 44 HE ARG 6 HE ARG 6 11.440 12.772 3.753 45 1HH1 ARG 6 HH21 ARG 6 9.052 14.742 3.677 46 2HH1 ARG 6 HH22 ARG 6 8.352 14.437 5.231 47 1HH2 ARG 6 HH11 ARG 6 11.140 12.781 6.456 48 2HH2 ARG 6 HH12 ARG 6 9.534 13.326 6.804 49 H GLY 7 HN GLY 7 8.544 14.397 -0.209 50 1HA GLY 7 HA2 GLY 7 6.543 15.633 0.138 51 2HA GLY 7 HA1 GLY 7 7.385 16.564 1.369 52 H ASP 8 HN ASP 8 9.544 17.559 -0.178 53 HA ASP 8 HA ASP 8 8.165 19.711 -1.621 54 1HB ASP 8 HB2 ASP 8 10.977 18.984 -0.813 55 2HB ASP 8 HB1 ASP 8 10.702 20.316 -1.936 56 H MET 9 HN MET 9 7.432 19.098 -3.688 57 HA MET 9 HA MET 9 8.975 17.191 -5.290 58 1HB MET 9 HB2 MET 9 7.114 17.508 -6.878 59 2HB MET 9 HB1 MET 9 6.507 17.241 -5.246 60 1HG MET 9 HG2 MET 9 6.229 19.683 -4.952 61 2HG MET 9 HG1 MET 9 6.830 19.941 -6.589 62 1HE MET 9 HE1 MET 9 4.562 18.619 -8.962 63 2HE MET 9 HE2 MET 9 6.044 19.439 -8.480 64 3HE MET 9 HE3 MET 9 4.535 20.344 -8.572 65 H ARG 10 HN ARG 10 9.024 20.557 -4.816 66 HA ARG 10 HA ARG 10 10.577 20.908 -7.347 67 1HB ARG 10 HB2 ARG 10 9.756 23.300 -7.218 68 2HB ARG 10 HB1 ARG 10 8.468 22.120 -7.460 69 1HG ARG 10 HG2 ARG 10 7.610 22.414 -5.347 70 2HG ARG 10 HG1 ARG 10 9.187 22.773 -4.644 71 1HD ARG 10 HD2 ARG 10 9.092 24.979 -5.995 72 2HD ARG 10 HD1 ARG 10 7.363 24.625 -6.186 73 HE ARG 10 HE ARG 10 7.108 24.738 -3.775 74 1HH1 ARG 10 HH11 ARG 10 9.263 26.905 -4.832 75 2HH1 ARG 10 HH12 ARG 10 10.257 26.959 -3.414 76 1HH2 ARG 10 HH21 ARG 10 8.835 24.135 -1.988 77 2HH2 ARG 10 HH22 ARG 10 10.014 25.390 -1.803 78 H ARG 11 HN ARG 11 11.767 20.022 -4.962 79 HA ARG 11 HA ARG 11 12.908 22.318 -3.532 80 1HB ARG 11 HB2 ARG 11 12.390 19.658 -3.009 81 2HB ARG 11 HB1 ARG 11 14.142 19.668 -3.215 82 1HG ARG 11 HG2 ARG 11 12.884 21.809 -1.538 83 2HG ARG 11 HG1 ARG 11 13.063 20.193 -0.852 84 1HD ARG 11 HD2 ARG 11 15.343 20.366 -0.720 85 2HD ARG 11 HD1 ARG 11 15.459 21.251 -2.255 86 HE ARG 11 HE ARG 11 14.688 23.279 -1.044 87 1HH1 ARG 11 HH21 ARG 11 13.485 22.012 1.358 88 2HH1 ARG 11 HH22 ARG 11 14.708 22.249 2.562 89 1HH2 ARG 11 HH11 ARG 11 17.207 22.953 0.265 90 2HH2 ARG 11 HH12 ARG 11 16.815 22.783 1.943 91 H CYS 12 HN CYS 12 13.881 23.307 -5.539 92 HA CYS 12 HA CYS 12 16.299 21.900 -6.556 93 1HB CYS 12 HB2 CYS 12 14.916 24.467 -7.397 94 2HB CYS 12 HB1 CYS 12 16.211 23.661 -8.279 95 1HN NH2 13 H1 CYS 12 18.221 23.633 -6.943 96 2HN NH2 13 H2 CYS 12 18.588 24.597 -5.595 Start of MODEL 15 1 1H ACE 1 HA1 ACE 1 27.576 19.644 17.425 2 2H ACE 1 HA2 ACE 1 28.662 20.095 18.739 3 3H ACE 1 HA3 ACE 1 27.033 20.765 18.675 4 H CYS 2 HN CYS 2 28.947 17.968 19.524 5 HA CYS 2 HA CYS 2 28.426 16.053 20.778 6 1HB CYS 2 HB2 CYS 2 27.311 16.674 22.657 7 2HB CYS 2 HB1 CYS 2 27.192 18.256 21.913 8 H HIS 3 HN HIS 3 27.177 14.136 20.509 9 HA HIS 3 HA HIS 3 25.692 14.031 17.977 10 1HB HIS 3 HB2 HIS 3 25.696 11.592 18.518 11 2HB HIS 3 HB1 HIS 3 27.304 12.306 18.613 12 HD1 HIS 3 HD1 HIS 3 27.351 9.940 20.221 13 HD2 HIS 3 HD2 HIS 3 25.615 13.396 21.778 14 HE1 HIS 3 HE1 HIS 3 27.347 9.669 22.740 15 H TRP 4 HN TRP 4 23.786 12.093 18.459 16 HA TRP 4 HA TRP 4 21.664 13.678 19.698 17 1HB TRP 4 HB2 TRP 4 21.524 12.178 17.640 18 2HB TRP 4 HB1 TRP 4 21.592 10.801 18.742 19 HD1 TRP 4 HD1 TRP 4 19.238 9.906 19.098 20 HE1 TRP 4 HE1 TRP 4 16.910 10.938 19.504 21 HE3 TRP 4 HE3 TRP 4 20.396 14.856 18.733 22 HZ2 TRP 4 HZ2 TRP 4 15.700 13.525 19.654 23 HZ3 TRP 4 HZ3 TRP 4 18.642 16.586 19.008 24 HH2 TRP 4 HH2 TRP 4 16.297 15.927 19.471 25 H LEU 5 HN LEU 5 20.242 12.752 21.385 26 HA LEU 5 HA LEU 5 21.811 11.203 23.395 27 1HB LEU 5 HB2 LEU 5 20.132 12.462 24.965 28 2HB LEU 5 HB1 LEU 5 21.476 13.354 24.258 29 HG LEU 5 HG LEU 5 18.926 13.237 22.703 30 1HD1 LEU 5 HD11 LEU 5 17.809 14.855 23.986 31 2HD1 LEU 5 HD12 LEU 5 19.270 15.300 24.869 32 3HD1 LEU 5 HD13 LEU 5 18.465 13.769 25.211 33 1HD2 LEU 5 HD21 LEU 5 19.748 15.181 21.740 34 2HD2 LEU 5 HD22 LEU 5 21.269 14.423 22.212 35 3HD2 LEU 5 HD23 LEU 5 20.565 15.692 23.214 36 H ARG 6 HN ARG 6 18.497 11.795 24.045 37 HA ARG 6 HA ARG 6 16.685 10.305 24.330 38 1HB ARG 6 HB2 ARG 6 17.854 10.053 21.661 39 2HB ARG 6 HB1 ARG 6 17.003 8.588 22.151 40 1HG ARG 6 HG2 ARG 6 15.373 9.994 21.100 41 2HG ARG 6 HG1 ARG 6 15.061 10.087 22.834 42 1HD ARG 6 HD2 ARG 6 17.011 12.091 21.925 43 2HD ARG 6 HD1 ARG 6 15.411 12.279 21.179 44 HE ARG 6 HE ARG 6 15.356 11.751 24.069 45 1HH1 ARG 6 HH11 ARG 6 13.705 13.433 21.872 46 2HH1 ARG 6 HH12 ARG 6 13.769 14.979 22.651 47 1HH2 ARG 6 HH21 ARG 6 16.195 14.021 24.937 48 2HH2 ARG 6 HH22 ARG 6 15.180 15.312 24.387 49 H GLY 7 HN GLY 7 19.133 9.562 25.739 50 1HA GLY 7 HA2 GLY 7 18.877 7.385 27.088 51 2HA GLY 7 HA1 GLY 7 19.014 6.581 25.524 52 H ASP 8 HN ASP 8 21.065 8.576 24.591 53 HA ASP 8 HA ASP 8 23.398 7.206 25.752 54 1HB ASP 8 HB2 ASP 8 22.756 8.129 23.288 55 2HB ASP 8 HB1 ASP 8 23.682 9.503 23.896 56 H MET 9 HN MET 9 25.218 9.381 25.511 57 HA MET 9 HA MET 9 24.892 10.579 28.150 58 1HB MET 9 HB2 MET 9 27.054 11.667 27.546 59 2HB MET 9 HB1 MET 9 27.082 9.928 27.265 60 1HG MET 9 HG2 MET 9 26.254 10.700 24.833 61 2HG MET 9 HG1 MET 9 27.107 12.172 25.297 62 1HE MET 9 HE1 MET 9 29.518 11.070 27.203 63 2HE MET 9 HE2 MET 9 29.284 12.400 26.071 64 3HE MET 9 HE3 MET 9 30.650 11.307 25.864 65 H ARG 10 HN ARG 10 22.934 11.800 27.890 66 HA ARG 10 HA ARG 10 22.726 13.880 25.855 67 1HB ARG 10 HB2 ARG 10 20.566 14.281 26.976 68 2HB ARG 10 HB1 ARG 10 20.823 12.552 26.748 69 1HG ARG 10 HG2 ARG 10 21.991 12.917 29.187 70 2HG ARG 10 HG1 ARG 10 20.707 14.124 29.253 71 1HD ARG 10 HD2 ARG 10 19.255 12.090 28.274 72 2HD ARG 10 HD1 ARG 10 20.493 11.145 29.125 73 HE ARG 10 HE ARG 10 19.777 12.121 31.196 74 1HH1 ARG 10 HH11 ARG 10 17.130 11.886 29.539 75 2HH1 ARG 10 HH12 ARG 10 16.389 13.393 29.960 76 1HH2 ARG 10 HH21 ARG 10 19.290 14.757 31.281 77 2HH2 ARG 10 HH22 ARG 10 17.611 15.018 30.945 78 H ARG 11 HN ARG 11 25.045 14.301 27.432 79 HA ARG 11 HA ARG 11 24.389 16.535 29.285 80 1HB ARG 11 HB2 ARG 11 26.007 14.744 29.902 81 2HB ARG 11 HB1 ARG 11 27.013 15.206 28.528 82 1HG ARG 11 HG2 ARG 11 28.045 16.615 29.973 83 2HG ARG 11 HG1 ARG 11 26.608 17.622 29.805 84 1HD ARG 11 HD2 ARG 11 25.858 15.706 31.701 85 2HD ARG 11 HD1 ARG 11 27.528 16.128 32.133 86 HE ARG 11 HE ARG 11 25.299 18.099 31.853 87 1HH1 ARG 11 HH11 ARG 11 28.159 19.044 31.289 88 2HH1 ARG 11 HH12 ARG 11 28.603 19.685 32.836 89 1HH2 ARG 11 HH21 ARG 11 26.000 18.137 34.524 90 2HH2 ARG 11 HH22 ARG 11 27.382 19.172 34.666 91 H CYS 12 HN CYS 12 23.741 17.250 26.644 92 HA CYS 12 HA CYS 12 26.082 18.644 25.485 93 1HB CYS 12 HB2 CYS 12 23.161 18.464 24.664 94 2HB CYS 12 HB1 CYS 12 24.442 19.188 23.693 95 1HN NH2 13 H1 CYS 12 23.098 19.475 27.276 96 2HN NH2 13 H2 CYS 12 23.450 21.128 27.431
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