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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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8331 |
1m2c ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 3H GLY 1 16.149 14.188 14.188 2 2H GLY 1 1H GLY 1 15.549 13.935 13.935 3 3H GLY 1 2H GLY 1 14.695 14.893 14.893 4 1HA GLY 1 1HA GLY 1 15.844 16.270 16.270 5 2HA GLY 1 2HA GLY 1 17.384 15.550 15.550 6 H CYS 2 H CYS 2 17.281 18.712 18.712 7 HA CYS 2 HA CYS 2 17.745 17.875 17.875 8 1HB CYS 2 1HB CYS 2 19.143 19.397 19.397 9 2HB CYS 2 2HB CYS 2 17.996 20.698 20.698 10 H CYS 3 H CYS 3 15.586 20.503 20.503 11 HA CYS 3 HA CYS 3 13.961 21.072 21.072 12 1HB CYS 3 1HB CYS 3 14.209 22.336 22.336 13 2HB CYS 3 2HB CYS 3 13.317 21.074 21.074 14 H SER 4 H SER 4 13.571 18.289 18.289 15 HA SER 4 HA SER 4 10.956 17.405 17.405 16 1HB SER 4 1HB SER 4 11.311 15.686 15.686 17 2HB SER 4 2HB SER 4 11.395 17.301 17.301 18 HG SER 4 HG SER 4 13.078 16.330 16.330 19 H ASN 5 H ASN 5 14.222 16.819 16.819 20 HA ASN 5 HA ASN 5 13.348 14.497 14.497 21 1HB ASN 5 1HB ASN 5 16.100 15.832 15.832 22 2HB ASN 5 2HB ASN 5 15.814 14.978 14.978 23 1HD2 ASN 5 1HD2 ASN 5 16.367 11.911 11.911 24 2HD2 ASN 5 2HD2 ASN 5 15.707 13.088 13.088 25 HA PRO 6 HA PRO 6 12.524 18.059 18.059 26 1HB PRO 6 1HB PRO 6 11.966 16.777 16.777 27 2HB PRO 6 2HB PRO 6 10.866 16.831 16.831 28 1HG PRO 6 1HG PRO 6 12.710 14.520 14.520 29 2HG PRO 6 2HG PRO 6 11.034 14.432 14.432 30 1HD PRO 6 1HD PRO 6 13.153 13.999 13.999 31 2HD PRO 6 2HD PRO 6 11.641 14.619 14.619 32 H VAL 7 H VAL 7 15.093 15.928 15.928 33 HA VAL 7 HA VAL 7 16.567 17.703 17.703 34 HB VAL 7 HB VAL 7 17.068 14.940 14.940 35 1HG1 VAL 7 1HG2 VAL 7 19.070 16.317 16.317 36 2HG1 VAL 7 2HG2 VAL 7 19.171 14.633 14.633 37 3HG1 VAL 7 3HG2 VAL 7 19.383 15.954 15.954 38 1HG2 VAL 7 1HG1 VAL 7 15.520 14.920 14.920 39 2HG2 VAL 7 2HG1 VAL 7 17.007 14.024 14.024 40 3HG2 VAL 7 3HG1 VAL 7 16.784 15.658 15.658 41 H CYS 8 H CYS 8 17.355 16.575 16.575 42 HA CYS 8 HA CYS 8 19.259 18.670 18.670 43 1HB CYS 8 1HB CYS 8 19.325 16.510 16.510 44 2HB CYS 8 2HB CYS 8 17.940 17.112 17.112 45 H HIS 9 H HIS 9 16.122 18.799 18.799 46 HA HIS 9 HA HIS 9 15.792 21.444 21.444 47 1HB HIS 9 1HB HIS 9 13.964 19.804 19.804 48 2HB HIS 9 2HB HIS 9 14.310 19.747 19.747 49 HD1 HIS 9 HD1 HIS 9 11.556 20.209 20.209 50 HD2 HIS 9 HD2 HIS 9 13.833 22.948 22.948 51 HE1 HIS 9 HE1 HIS 9 10.350 22.380 22.380 52 HE2 HIS 9 HE2 HIS 9 11.288 23.837 23.837 53 H LEU 10 H LEU 10 16.639 20.446 20.446 54 HA LEU 10 HA LEU 10 16.061 23.277 23.277 55 1HB LEU 10 1HB LEU 10 16.160 20.668 20.668 56 2HB LEU 10 2HB LEU 10 16.085 22.244 22.244 57 HG LEU 10 HG LEU 10 13.977 21.199 21.199 58 1HD1 LEU 10 1HD2 LEU 10 14.009 19.855 19.855 59 2HD1 LEU 10 2HD2 LEU 10 13.853 21.334 21.334 60 3HD1 LEU 10 3HD2 LEU 10 12.532 20.826 20.826 61 1HD2 LEU 10 1HD1 LEU 10 13.884 23.667 23.667 62 2HD2 LEU 10 2HD1 LEU 10 13.976 23.750 23.750 63 3HD2 LEU 10 3HD1 LEU 10 12.530 23.089 23.089 64 H GLU 11 H GLU 11 18.737 20.866 20.866 65 HA GLU 11 HA GLU 11 20.934 22.422 22.422 66 1HB GLU 11 1HB GLU 11 20.142 20.545 20.545 67 2HB GLU 11 2HB GLU 11 21.713 21.169 21.169 68 1HG GLU 11 1HG GLU 11 22.118 20.050 20.050 69 2HG GLU 11 2HG GLU 11 20.433 19.538 19.538 70 HE2 GLU 11 HE2 GLU 11 22.110 16.618 16.618 71 H HIS 12 H HIS 12 18.960 23.046 23.046 72 HA HIS 12 HA HIS 12 20.270 25.707 25.707 73 1HB HIS 12 1HB HIS 12 20.164 23.686 23.686 74 2HB HIS 12 2HB HIS 12 20.351 25.426 25.426 75 HD1 HIS 12 HD1 HIS 12 22.391 22.375 22.375 76 HD2 HIS 12 HD2 HIS 12 22.639 26.626 26.626 77 HE1 HIS 12 HE1 HIS 12 24.768 23.040 23.040 78 HE2 HIS 12 HE2 HIS 12 25.090 25.620 25.620 79 H SER 13 H SER 13 18.036 25.446 25.446 80 HA SER 13 HA SER 13 15.796 25.412 25.412 81 1HB SER 13 1HB SER 13 16.191 25.599 25.599 82 2HB SER 13 2HB SER 13 16.082 27.346 27.346 83 HG SER 13 HG SER 13 14.016 26.867 26.867 84 H ASN 14 H ASN 14 17.588 27.967 27.967 85 HA ASN 14 HA ASN 14 16.101 29.953 29.953 86 1HB ASN 14 1HB ASN 14 18.219 30.728 30.728 87 2HB ASN 14 2HB ASN 14 18.332 30.463 30.463 88 1HD2 ASN 14 1HD2 ASN 14 21.324 29.044 29.044 89 2HD2 ASN 14 2HD2 ASN 14 20.214 30.432 30.432 90 H LEU 15 H LEU 15 17.588 26.893 26.893 91 HA LEU 15 HA LEU 15 16.999 27.101 27.101 92 1HB LEU 15 1HB LEU 15 18.533 24.872 24.872 93 2HB LEU 15 2HB LEU 15 18.284 25.024 25.024 94 HG LEU 15 HG LEU 15 19.943 26.970 26.970 95 1HD1 LEU 15 1HD1 LEU 15 20.978 24.671 24.671 96 2HD1 LEU 15 2HD1 LEU 15 20.824 24.921 24.921 97 3HD1 LEU 15 3HD1 LEU 15 21.890 25.977 25.977 98 1HD2 LEU 15 1HD2 LEU 15 19.502 26.978 26.978 99 2HD2 LEU 15 2HD2 LEU 15 18.970 28.229 28.229 100 3HD2 LEU 15 3HD2 LEU 15 20.696 27.971 27.971 101 H CYS 16 H CYS 16 15.380 25.854 25.854 102 HA CYS 16 HA CYS 16 13.461 24.447 24.447 103 1HB CYS 16 1HB CYS 16 14.020 23.224 23.224 104 2HB CYS 16 2HB CYS 16 13.215 24.552 24.552 105 1HN NH2 17 1H NH2 17 13.333 27.130 27.130 106 2HN NH2 17 2H NH2 17 11.896 27.874 27.874 Start of MODEL 2 1 1H GLY 1 3H GLY 1 13.780 17.978 17.978 2 2H GLY 1 1H GLY 1 14.176 17.146 17.146 3 3H GLY 1 2H GLY 1 13.846 16.297 16.297 4 1HA GLY 1 1HA GLY 1 16.245 16.323 16.323 5 2HA GLY 1 2HA GLY 1 16.206 18.082 18.082 6 H CYS 2 H CYS 2 17.697 18.283 18.283 7 HA CYS 2 HA CYS 2 17.217 16.863 16.863 8 1HB CYS 2 1HB CYS 2 19.444 17.562 17.562 9 2HB CYS 2 2HB CYS 2 18.928 19.245 19.245 10 H CYS 3 H CYS 3 16.327 20.233 20.233 11 HA CYS 3 HA CYS 3 14.740 21.021 21.021 12 1HB CYS 3 1HB CYS 3 15.285 22.556 22.556 13 2HB CYS 3 2HB CYS 3 14.477 21.547 21.547 14 H SER 4 H SER 4 13.953 18.411 18.411 15 HA SER 4 HA SER 4 11.170 18.126 18.126 16 1HB SER 4 1HB SER 4 10.731 16.655 16.655 17 2HB SER 4 2HB SER 4 11.478 18.024 18.024 18 HG SER 4 HG SER 4 12.671 15.500 15.500 19 H ASN 5 H ASN 5 14.288 17.138 17.138 20 HA ASN 5 HA ASN 5 13.260 14.728 14.728 21 1HB ASN 5 1HB ASN 5 15.763 16.040 16.040 22 2HB ASN 5 2HB ASN 5 15.710 15.930 15.930 23 1HD2 ASN 5 1HD2 ASN 5 17.365 13.107 13.107 24 2HD2 ASN 5 2HD2 ASN 5 17.030 14.217 14.217 25 HA PRO 6 HA PRO 6 12.197 17.119 17.119 26 1HB PRO 6 1HB PRO 6 12.850 15.433 15.433 27 2HB PRO 6 2HB PRO 6 11.557 15.056 15.056 28 1HG PRO 6 1HG PRO 6 14.474 14.066 14.066 29 2HG PRO 6 2HG PRO 6 13.061 13.093 13.093 30 1HD PRO 6 1HD PRO 6 14.278 13.884 13.884 31 2HD PRO 6 2HD PRO 6 12.540 13.796 13.796 32 H VAL 7 H VAL 7 15.273 15.661 15.661 33 HA VAL 7 HA VAL 7 16.319 17.791 17.791 34 HB VAL 7 HB VAL 7 17.399 15.124 15.124 35 1HG1 VAL 7 1HG1 VAL 7 18.703 16.661 16.661 36 2HG1 VAL 7 2HG1 VAL 7 19.150 15.022 15.022 37 3HG1 VAL 7 3HG1 VAL 7 19.416 16.412 16.412 38 1HG2 VAL 7 1HG2 VAL 7 15.476 14.815 14.815 39 2HG2 VAL 7 2HG2 VAL 7 16.976 14.076 14.076 40 3HG2 VAL 7 3HG2 VAL 7 16.415 15.634 15.634 41 H CYS 8 H CYS 8 17.652 16.545 16.545 42 HA CYS 8 HA CYS 8 19.478 18.741 18.741 43 1HB CYS 8 1HB CYS 8 20.579 17.844 17.844 44 2HB CYS 8 2HB CYS 8 19.785 16.400 16.400 45 H HIS 9 H HIS 9 16.502 18.717 18.717 46 HA HIS 9 HA HIS 9 16.215 21.262 21.262 47 1HB HIS 9 1HB HIS 9 14.396 19.611 19.611 48 2HB HIS 9 2HB HIS 9 14.586 19.572 19.572 49 HD1 HIS 9 HD1 HIS 9 11.832 19.638 19.638 50 HD2 HIS 9 HD2 HIS 9 13.978 22.826 22.826 51 HE1 HIS 9 HE1 HIS 9 10.181 21.570 21.570 52 HE2 HIS 9 HE2 HIS 9 11.353 23.443 23.443 53 H LEU 10 H LEU 10 16.686 20.422 20.422 54 HA LEU 10 HA LEU 10 16.057 23.307 23.307 55 1HB LEU 10 1HB LEU 10 16.122 20.751 20.751 56 2HB LEU 10 2HB LEU 10 15.929 22.343 22.343 57 HG LEU 10 HG LEU 10 13.986 21.158 21.158 58 1HD1 LEU 10 1HD1 LEU 10 13.933 19.852 19.852 59 2HD1 LEU 10 2HD1 LEU 10 13.681 21.334 21.334 60 3HD1 LEU 10 3HD1 LEU 10 12.441 20.783 20.783 61 1HD2 LEU 10 1HD2 LEU 10 13.703 23.671 23.671 62 2HD2 LEU 10 2HD2 LEU 10 13.910 23.708 23.708 63 3HD2 LEU 10 3HD2 LEU 10 12.438 23.019 23.019 64 H GLU 11 H GLU 11 18.838 21.024 21.024 65 HA GLU 11 HA GLU 11 20.916 22.823 22.823 66 1HB GLU 11 1HB GLU 11 20.300 20.674 20.674 67 2HB GLU 11 2HB GLU 11 21.806 21.427 21.427 68 1HG GLU 11 1HG GLU 11 22.204 20.543 20.543 69 2HG GLU 11 2HG GLU 11 20.611 19.803 19.803 70 HE2 GLU 11 HE2 GLU 11 22.820 17.169 17.169 71 H HIS 12 H HIS 12 18.854 23.028 23.028 72 HA HIS 12 HA HIS 12 20.356 25.393 25.393 73 1HB HIS 12 1HB HIS 12 19.305 23.072 23.072 74 2HB HIS 12 2HB HIS 12 19.922 24.566 24.566 75 HD1 HIS 12 HD1 HIS 12 21.013 21.211 21.211 76 HD2 HIS 12 HD2 HIS 12 22.761 25.064 25.064 77 HE1 HIS 12 HE1 HIS 12 23.605 21.006 21.006 78 HE2 HIS 12 HE2 HIS 12 24.759 23.292 23.292 79 H SER 13 H SER 13 18.337 25.569 25.569 80 HA SER 13 HA SER 13 15.859 25.510 25.510 81 1HB SER 13 1HB SER 13 15.182 26.797 26.797 82 2HB SER 13 2HB SER 13 16.425 25.600 25.600 83 HG SER 13 HG SER 13 16.898 27.680 27.680 84 H ASN 14 H ASN 14 17.533 28.211 28.211 85 HA ASN 14 HA ASN 14 15.958 30.222 30.222 86 1HB ASN 14 1HB ASN 14 18.169 30.739 30.739 87 2HB ASN 14 2HB ASN 14 18.940 29.408 29.408 88 1HD2 ASN 14 2HD2 ASN 14 19.438 31.380 31.380 89 2HD2 ASN 14 1HD2 ASN 14 19.395 29.682 29.682 90 H LEU 15 H LEU 15 17.505 27.222 27.222 91 HA LEU 15 HA LEU 15 16.537 27.672 27.672 92 1HB LEU 15 1HB LEU 15 18.333 25.449 25.449 93 2HB LEU 15 2HB LEU 15 17.954 25.747 25.747 94 HG LEU 15 HG LEU 15 18.858 28.275 28.275 95 1HD1 LEU 15 1HD2 LEU 15 19.680 27.495 27.495 96 2HD1 LEU 15 2HD2 LEU 15 20.851 26.426 26.426 97 3HD1 LEU 15 3HD2 LEU 15 20.936 28.183 28.183 98 1HD2 LEU 15 1HD1 LEU 15 19.510 27.042 27.042 99 2HD2 LEU 15 2HD1 LEU 15 20.941 27.736 27.736 100 3HD2 LEU 15 3HD1 LEU 15 20.599 25.985 25.985 101 H CYS 16 H CYS 16 15.221 26.270 26.270 102 HA CYS 16 HA CYS 16 13.008 25.068 25.068 103 1HB CYS 16 1HB CYS 16 13.838 24.189 24.189 104 2HB CYS 16 2HB CYS 16 12.139 24.641 24.641 105 1HN NH2 17 1H NH2 17 11.921 28.368 28.368 106 2HN NH2 17 2H NH2 17 13.302 27.373 27.373 Start of MODEL 3 1 1H GLY 1 2H GLY 1 14.514 13.846 13.846 2 2H GLY 1 3H GLY 1 13.482 15.173 15.173 3 3H GLY 1 1H GLY 1 14.223 14.645 14.645 4 1HA GLY 1 1HA GLY 1 16.418 15.264 15.264 5 2HA GLY 1 2HA GLY 1 15.328 16.651 16.651 6 H CYS 2 H CYS 2 17.487 16.987 16.987 7 HA CYS 2 HA CYS 2 17.172 16.036 16.036 8 1HB CYS 2 1HB CYS 2 19.337 16.682 16.682 9 2HB CYS 2 2HB CYS 2 18.758 18.253 18.253 10 H CYS 3 H CYS 3 16.193 19.251 19.251 11 HA CYS 3 HA CYS 3 14.710 20.428 20.428 12 1HB CYS 3 1HB CYS 3 14.297 20.289 20.289 13 2HB CYS 3 2HB CYS 3 13.196 21.138 21.138 14 H SER 4 H SER 4 13.623 17.767 17.767 15 HA SER 4 HA SER 4 10.925 17.528 17.528 16 1HB SER 4 1HB SER 4 10.520 15.823 15.823 17 2HB SER 4 2HB SER 4 11.325 17.075 17.075 18 HG SER 4 HG SER 4 12.587 14.760 14.760 19 H ASN 5 H ASN 5 14.052 16.431 16.431 20 HA ASN 5 HA ASN 5 12.876 14.376 14.376 21 1HB ASN 5 1HB ASN 5 15.673 15.813 15.813 22 2HB ASN 5 2HB ASN 5 15.157 14.500 14.500 23 1HD2 ASN 5 2HD2 ASN 5 16.916 12.434 12.434 24 2HD2 ASN 5 1HD2 ASN 5 16.959 13.603 13.603 25 HA PRO 6 HA PRO 6 12.198 17.787 17.787 26 1HB PRO 6 1HB PRO 6 12.237 16.397 16.397 27 2HB PRO 6 2HB PRO 6 10.906 16.346 16.346 28 1HG PRO 6 1HG PRO 6 12.949 14.294 14.294 29 2HG PRO 6 2HG PRO 6 11.258 14.055 14.055 30 1HD PRO 6 1HD PRO 6 13.254 13.829 13.829 31 2HD PRO 6 2HD PRO 6 11.608 14.236 14.236 32 H VAL 7 H VAL 7 15.101 16.079 16.079 33 HA VAL 7 HA VAL 7 16.306 17.787 17.787 34 HB VAL 7 HB VAL 7 16.958 15.048 15.048 35 1HG1 VAL 7 1HG2 VAL 7 18.532 16.285 16.285 36 2HG1 VAL 7 2HG2 VAL 7 18.699 14.615 14.615 37 3HG1 VAL 7 3HG2 VAL 7 19.193 15.960 15.960 38 1HG2 VAL 7 1HG1 VAL 7 15.013 15.025 15.025 39 2HG2 VAL 7 2HG1 VAL 7 16.366 14.057 14.057 40 3HG2 VAL 7 3HG1 VAL 7 16.063 15.676 15.676 41 H CYS 8 H CYS 8 17.562 16.755 16.755 42 HA CYS 8 HA CYS 8 19.520 18.894 18.894 43 1HB CYS 8 1HB CYS 8 20.710 18.063 18.063 44 2HB CYS 8 2HB CYS 8 20.183 16.631 16.631 45 H HIS 9 H HIS 9 16.703 18.728 18.728 46 HA HIS 9 HA HIS 9 16.114 21.253 21.253 47 1HB HIS 9 1HB HIS 9 14.624 19.560 19.560 48 2HB HIS 9 2HB HIS 9 14.899 19.593 19.593 49 HD1 HIS 9 HD1 HIS 9 12.170 19.386 19.386 50 HD2 HIS 9 HD2 HIS 9 14.088 22.797 22.797 51 HE1 HIS 9 HE1 HIS 9 10.657 21.358 21.358 52 HE2 HIS 9 HE2 HIS 9 11.478 23.514 23.514 53 H LEU 10 H LEU 10 16.467 20.363 20.363 54 HA LEU 10 HA LEU 10 16.207 23.258 23.258 55 1HB LEU 10 1HB LEU 10 15.773 20.698 20.698 56 2HB LEU 10 2HB LEU 10 15.731 22.300 22.300 57 HG LEU 10 HG LEU 10 13.860 21.281 21.281 58 1HD1 LEU 10 1HD2 LEU 10 13.400 20.312 20.312 59 2HD1 LEU 10 2HD2 LEU 10 13.255 21.943 21.943 60 3HD1 LEU 10 3HD2 LEU 10 12.092 21.384 21.384 61 1HD2 LEU 10 1HD1 LEU 10 13.811 24.049 24.049 62 2HD2 LEU 10 2HD1 LEU 10 14.133 23.792 23.792 63 3HD2 LEU 10 3HD1 LEU 10 12.537 23.430 23.430 64 H GLU 11 H GLU 11 18.899 20.884 20.884 65 HA GLU 11 HA GLU 11 20.867 22.751 22.751 66 1HB GLU 11 1HB GLU 11 20.482 20.839 20.839 67 2HB GLU 11 2HB GLU 11 21.935 21.634 21.634 68 1HG GLU 11 1HG GLU 11 22.256 20.449 20.449 69 2HG GLU 11 2HG GLU 11 20.713 19.633 19.633 70 HE2 GLU 11 HE2 GLU 11 23.106 17.244 17.244 71 H HIS 12 H HIS 12 18.898 22.991 22.991 72 HA HIS 12 HA HIS 12 20.366 25.499 25.499 73 1HB HIS 12 1HB HIS 12 19.390 23.298 23.298 74 2HB HIS 12 2HB HIS 12 20.103 24.812 24.812 75 HD1 HIS 12 HD1 HIS 12 20.950 21.320 21.320 76 HD2 HIS 12 HD2 HIS 12 22.921 25.104 25.104 77 HE1 HIS 12 HE1 HIS 12 23.498 20.961 20.961 78 HE2 HIS 12 HE2 HIS 12 24.798 23.206 23.206 79 H SER 13 H SER 13 18.343 25.629 25.629 80 HA SER 13 HA SER 13 15.909 25.433 25.433 81 1HB SER 13 1HB SER 13 15.108 26.478 26.478 82 2HB SER 13 2HB SER 13 16.516 25.458 25.458 83 HG SER 13 HG SER 13 16.656 27.563 27.563 84 H ASN 14 H ASN 14 17.359 28.256 28.256 85 HA ASN 14 HA ASN 14 15.350 29.999 29.999 86 1HB ASN 14 1HB ASN 14 17.269 31.099 31.099 87 2HB ASN 14 2HB ASN 14 18.427 30.117 30.117 88 1HD2 ASN 14 2HD2 ASN 14 18.192 32.224 32.224 89 2HD2 ASN 14 1HD2 ASN 14 18.688 30.575 30.575 90 H LEU 15 H LEU 15 17.547 27.387 27.387 91 HA LEU 15 HA LEU 15 16.807 27.999 27.999 92 1HB LEU 15 1HB LEU 15 18.335 25.661 25.661 93 2HB LEU 15 2HB LEU 15 18.393 26.174 26.174 94 HG LEU 15 HG LEU 15 20.330 26.619 26.619 95 1HD1 LEU 15 1HD2 LEU 15 19.819 28.049 28.049 96 2HD1 LEU 15 2HD2 LEU 15 19.082 29.271 29.271 97 3HD1 LEU 15 3HD2 LEU 15 20.828 28.970 28.970 98 1HD2 LEU 15 1HD1 LEU 15 19.668 27.333 27.333 99 2HD2 LEU 15 2HD1 LEU 15 20.941 28.329 28.329 100 3HD2 LEU 15 3HD1 LEU 15 19.291 28.937 28.937 101 H CYS 16 H CYS 16 15.599 25.875 25.875 102 HA CYS 16 HA CYS 16 13.717 24.466 24.466 103 1HB CYS 16 1HB CYS 16 14.829 23.538 23.538 104 2HB CYS 16 2HB CYS 16 13.759 22.619 22.619 105 1HN NH2 17 1H NH2 17 11.572 26.337 26.337 106 2HN NH2 17 2H NH2 17 13.382 26.635 26.635 Start of MODEL 4 1 1H GLY 1 3H GLY 1 15.438 13.528 13.528 2 2H GLY 1 1H GLY 1 14.811 13.347 13.347 3 3H GLY 1 2H GLY 1 14.217 14.552 14.552 4 1HA GLY 1 1HA GLY 1 15.688 15.490 15.490 5 2HA GLY 1 2HA GLY 1 16.985 14.427 14.427 6 H CYS 2 H CYS 2 17.952 17.439 17.439 7 HA CYS 2 HA CYS 2 17.739 16.520 16.520 8 1HB CYS 2 1HB CYS 2 19.835 17.233 17.233 9 2HB CYS 2 2HB CYS 2 19.192 18.713 18.713 10 H CYS 3 H CYS 3 16.653 19.656 19.656 11 HA CYS 3 HA CYS 3 14.900 20.786 20.786 12 1HB CYS 3 1HB CYS 3 14.874 20.648 20.648 13 2HB CYS 3 2HB CYS 3 13.652 21.479 21.479 14 H SER 4 H SER 4 14.140 18.118 18.118 15 HA SER 4 HA SER 4 11.376 17.710 17.710 16 1HB SER 4 1HB SER 4 11.392 16.022 16.022 17 2HB SER 4 2HB SER 4 11.793 17.598 17.598 18 HG SER 4 HG SER 4 13.280 16.362 16.362 19 H ASN 5 H ASN 5 14.351 16.885 16.885 20 HA ASN 5 HA ASN 5 13.279 14.509 14.509 21 1HB ASN 5 1HB ASN 5 15.839 15.643 15.643 22 2HB ASN 5 2HB ASN 5 15.718 15.760 15.760 23 1HD2 ASN 5 1HD2 ASN 5 17.292 12.729 12.729 24 2HD2 ASN 5 2HD2 ASN 5 16.770 13.982 13.982 25 HA PRO 6 HA PRO 6 12.111 17.331 17.331 26 1HB PRO 6 1HB PRO 6 12.706 15.819 15.819 27 2HB PRO 6 2HB PRO 6 11.358 15.424 15.424 28 1HG PRO 6 1HG PRO 6 14.207 14.219 14.219 29 2HG PRO 6 2HG PRO 6 12.724 13.350 13.350 30 1HD PRO 6 1HD PRO 6 13.686 13.735 13.735 31 2HD PRO 6 2HD PRO 6 11.963 13.945 13.945 32 H VAL 7 H VAL 7 15.073 15.735 15.735 33 HA VAL 7 HA VAL 7 16.163 17.974 17.974 34 HB VAL 7 HB VAL 7 17.084 15.114 15.114 35 1HG1 VAL 7 1HG2 VAL 7 18.477 16.921 16.921 36 2HG1 VAL 7 2HG2 VAL 7 18.791 15.188 15.188 37 3HG1 VAL 7 3HG2 VAL 7 19.215 16.339 16.339 38 1HG2 VAL 7 1HG1 VAL 7 15.092 15.246 15.246 39 2HG2 VAL 7 2HG1 VAL 7 16.496 14.537 14.537 40 3HG2 VAL 7 3HG1 VAL 7 16.043 16.224 16.224 41 H CYS 8 H CYS 8 17.471 16.494 16.494 42 HA CYS 8 HA CYS 8 19.446 18.554 18.554 43 1HB CYS 8 1HB CYS 8 19.796 16.318 16.318 44 2HB CYS 8 2HB CYS 8 18.456 16.672 16.672 45 H HIS 9 H HIS 9 16.398 18.684 18.684 46 HA HIS 9 HA HIS 9 16.314 21.166 21.166 47 1HB HIS 9 1HB HIS 9 14.400 19.630 19.630 48 2HB HIS 9 2HB HIS 9 14.521 19.702 19.702 49 HD1 HIS 9 HD1 HIS 9 11.953 20.120 20.120 50 HD2 HIS 9 HD2 HIS 9 14.140 22.947 22.947 51 HE1 HIS 9 HE1 HIS 9 10.553 22.263 22.263 52 HE2 HIS 9 HE2 HIS 9 11.653 23.964 23.964 53 H LEU 10 H LEU 10 16.738 20.438 20.438 54 HA LEU 10 HA LEU 10 16.171 23.354 23.354 55 1HB LEU 10 1HB LEU 10 16.096 20.843 20.843 56 2HB LEU 10 2HB LEU 10 15.908 22.460 22.460 57 HG LEU 10 HG LEU 10 14.032 21.269 21.269 58 1HD1 LEU 10 1HD1 LEU 10 13.852 20.005 20.005 59 2HD1 LEU 10 2HD1 LEU 10 13.592 21.515 21.515 60 3HD1 LEU 10 3HD1 LEU 10 12.394 20.969 20.969 61 1HD2 LEU 10 1HD2 LEU 10 13.717 23.821 23.821 62 2HD2 LEU 10 2HD2 LEU 10 14.019 23.816 23.816 63 3HD2 LEU 10 3HD2 LEU 10 12.498 23.174 23.174 64 H GLU 11 H GLU 11 18.903 21.059 21.059 65 HA GLU 11 HA GLU 11 20.992 22.636 22.636 66 1HB GLU 11 1HB GLU 11 20.136 20.298 20.298 67 2HB GLU 11 2HB GLU 11 21.058 21.108 21.108 68 1HG GLU 11 1HG GLU 11 21.626 20.358 20.358 69 2HG GLU 11 2HG GLU 11 22.187 19.361 19.361 70 HE2 GLU 11 HE2 GLU 11 24.707 21.898 21.898 71 H HIS 12 H HIS 12 18.833 23.143 23.143 72 HA HIS 12 HA HIS 12 20.351 25.575 25.575 73 1HB HIS 12 1HB HIS 12 19.212 23.457 23.457 74 2HB HIS 12 2HB HIS 12 19.957 24.955 24.955 75 HD1 HIS 12 HD1 HIS 12 20.664 21.458 21.458 76 HD2 HIS 12 HD2 HIS 12 22.804 25.108 25.108 77 HE1 HIS 12 HE1 HIS 12 23.070 21.065 21.065 78 HE2 HIS 12 HE2 HIS 12 24.575 23.149 23.149 79 H SER 13 H SER 13 18.257 25.574 25.574 80 HA SER 13 HA SER 13 15.839 25.519 25.519 81 1HB SER 13 1HB SER 13 16.566 25.711 25.711 82 2HB SER 13 2HB SER 13 16.469 27.457 27.457 83 HG SER 13 HG SER 13 14.469 26.944 26.944 84 H ASN 14 H ASN 14 17.368 28.309 28.309 85 HA ASN 14 HA ASN 14 15.465 30.229 30.229 86 1HB ASN 14 1HB ASN 14 18.516 30.175 30.175 87 2HB ASN 14 2HB ASN 14 17.428 31.499 31.499 88 1HD2 ASN 14 2HD2 ASN 14 19.174 31.992 31.992 89 2HD2 ASN 14 1HD2 ASN 14 19.807 31.146 31.146 90 H LEU 15 H LEU 15 17.481 27.598 27.598 91 HA LEU 15 HA LEU 15 16.835 28.284 28.284 92 1HB LEU 15 1HB LEU 15 18.654 26.053 26.053 93 2HB LEU 15 2HB LEU 15 18.524 26.675 26.675 94 HG LEU 15 HG LEU 15 19.177 29.022 29.022 95 1HD1 LEU 15 1HD2 LEU 15 19.549 27.930 27.930 96 2HD1 LEU 15 2HD2 LEU 15 20.900 26.999 26.999 97 3HD1 LEU 15 3HD2 LEU 15 20.961 28.769 28.769 98 1HD2 LEU 15 1HD1 LEU 15 20.316 28.106 28.106 99 2HD2 LEU 15 2HD1 LEU 15 21.512 28.692 28.692 100 3HD2 LEU 15 3HD1 LEU 15 21.219 26.935 26.935 101 H CYS 16 H CYS 16 15.494 26.285 26.285 102 HA CYS 16 HA CYS 16 13.918 24.662 24.662 103 1HB CYS 16 1HB CYS 16 14.895 23.907 23.907 104 2HB CYS 16 2HB CYS 16 13.942 22.890 22.890 105 1HN NH2 17 1H NH2 17 11.516 26.453 26.453 106 2HN NH2 17 2H NH2 17 13.319 26.738 26.738 Start of MODEL 5 1 1H GLY 1 3H GLY 1 15.364 13.403 13.403 2 2H GLY 1 1H GLY 1 14.963 13.191 13.191 3 3H GLY 1 2H GLY 1 14.191 14.377 14.377 4 1HA GLY 1 1HA GLY 1 15.848 15.354 15.354 5 2HA GLY 1 2HA GLY 1 17.093 14.354 14.354 6 H CYS 2 H CYS 2 17.652 17.467 17.467 7 HA CYS 2 HA CYS 2 17.826 16.545 16.545 8 1HB CYS 2 1HB CYS 2 19.716 17.521 17.521 9 2HB CYS 2 2HB CYS 2 18.840 18.911 18.911 10 H CYS 3 H CYS 3 16.273 19.567 19.567 11 HA CYS 3 HA CYS 3 14.634 20.513 20.513 12 1HB CYS 3 1HB CYS 3 14.186 20.273 20.273 13 2HB CYS 3 2HB CYS 3 13.093 21.095 21.095 14 H SER 4 H SER 4 13.887 17.821 17.821 15 HA SER 4 HA SER 4 11.267 17.167 17.167 16 1HB SER 4 1HB SER 4 11.103 15.516 15.516 17 2HB SER 4 2HB SER 4 11.421 17.115 17.115 18 HG SER 4 HG SER 4 12.782 15.844 15.844 19 H ASN 5 H ASN 5 14.376 16.423 16.423 20 HA ASN 5 HA ASN 5 13.363 14.128 14.128 21 1HB ASN 5 1HB ASN 5 16.122 15.583 15.583 22 2HB ASN 5 2HB ASN 5 15.637 14.439 14.439 23 1HD2 ASN 5 2HD2 ASN 5 17.397 12.149 12.149 24 2HD2 ASN 5 1HD2 ASN 5 17.466 13.612 13.612 25 HA PRO 6 HA PRO 6 12.288 17.810 17.810 26 1HB PRO 6 1HB PRO 6 12.099 16.499 16.499 27 2HB PRO 6 2HB PRO 6 10.819 16.634 16.634 28 1HG PRO 6 1HG PRO 6 12.502 14.277 14.277 29 2HG PRO 6 2HG PRO 6 10.832 14.329 14.329 30 1HD PRO 6 1HD PRO 6 12.945 13.756 13.756 31 2HD PRO 6 2HD PRO 6 11.407 14.435 14.435 32 H VAL 7 H VAL 7 15.060 15.928 15.928 33 HA VAL 7 HA VAL 7 16.276 17.884 17.884 34 HB VAL 7 HB VAL 7 17.128 15.187 15.187 35 1HG1 VAL 7 3HG1 VAL 7 19.221 16.381 16.381 36 2HG1 VAL 7 1HG1 VAL 7 18.602 16.587 16.587 37 3HG1 VAL 7 2HG1 VAL 7 18.968 14.958 14.958 38 1HG2 VAL 7 1HG2 VAL 7 15.296 14.824 14.824 39 2HG2 VAL 7 2HG2 VAL 7 16.804 14.074 14.074 40 3HG2 VAL 7 3HG2 VAL 7 16.261 15.618 15.618 41 H CYS 8 H CYS 8 17.500 16.540 16.540 42 HA CYS 8 HA CYS 8 19.241 18.738 18.738 43 1HB CYS 8 1HB CYS 8 19.705 16.550 16.550 44 2HB CYS 8 2HB CYS 8 18.354 16.836 16.836 45 H HIS 9 H HIS 9 16.214 18.808 18.808 46 HA HIS 9 HA HIS 9 15.878 21.364 21.364 47 1HB HIS 9 1HB HIS 9 14.231 19.530 19.530 48 2HB HIS 9 2HB HIS 9 14.526 20.220 20.220 49 HD1 HIS 9 HD1 HIS 9 11.746 20.133 20.133 50 HD2 HIS 9 HD2 HIS 9 13.974 22.917 22.917 51 HE1 HIS 9 HE1 HIS 9 10.344 22.294 22.294 52 HE2 HIS 9 HE2 HIS 9 11.459 24.056 24.056 53 H LEU 10 H LEU 10 16.417 20.498 20.498 54 HA LEU 10 HA LEU 10 16.166 23.398 23.398 55 1HB LEU 10 1HB LEU 10 16.031 20.818 20.818 56 2HB LEU 10 2HB LEU 10 15.958 22.412 22.412 57 HG LEU 10 HG LEU 10 13.932 21.363 21.363 58 1HD1 LEU 10 1HD2 LEU 10 13.784 20.131 20.131 59 2HD1 LEU 10 2HD2 LEU 10 13.631 21.663 21.663 60 3HD1 LEU 10 3HD2 LEU 10 12.362 21.159 21.159 61 1HD2 LEU 10 1HD1 LEU 10 13.845 23.949 23.949 62 2HD2 LEU 10 2HD1 LEU 10 14.035 23.899 23.899 63 3HD2 LEU 10 3HD1 LEU 10 12.524 23.352 23.352 64 H GLU 11 H GLU 11 18.786 20.936 20.936 65 HA GLU 11 HA GLU 11 20.986 22.488 22.488 66 1HB GLU 11 1HB GLU 11 20.180 20.682 20.682 67 2HB GLU 11 2HB GLU 11 21.768 21.165 21.165 68 1HG GLU 11 1HG GLU 11 21.249 20.053 20.053 69 2HG GLU 11 2HG GLU 11 20.033 19.222 19.222 70 HE2 GLU 11 HE2 GLU 11 23.611 17.799 17.799 71 H HIS 12 H HIS 12 18.959 23.015 23.015 72 HA HIS 12 HA HIS 12 20.385 25.630 25.630 73 1HB HIS 12 1HB HIS 12 19.796 23.564 23.564 74 2HB HIS 12 2HB HIS 12 20.086 25.263 25.263 75 HD1 HIS 12 HD1 HIS 12 21.987 22.116 22.116 76 HD2 HIS 12 HD2 HIS 12 22.637 26.312 26.312 77 HE1 HIS 12 HE1 HIS 12 24.520 22.618 22.618 78 HE2 HIS 12 HE2 HIS 12 25.031 25.128 25.128 79 H SER 13 H SER 13 18.324 25.522 25.522 80 HA SER 13 HA SER 13 15.916 25.446 25.446 81 1HB SER 13 1HB SER 13 16.665 25.719 25.719 82 2HB SER 13 2HB SER 13 16.600 27.462 27.462 83 HG SER 13 HG SER 13 14.622 26.889 26.889 84 H ASN 14 H ASN 14 17.433 28.239 28.239 85 HA ASN 14 HA ASN 14 15.535 30.150 30.150 86 1HB ASN 14 1HB ASN 14 17.677 30.902 30.902 87 2HB ASN 14 2HB ASN 14 18.633 30.021 30.021 88 1HD2 ASN 14 2HD2 ASN 14 18.158 32.675 32.675 89 2HD2 ASN 14 1HD2 ASN 14 18.587 30.907 30.907 90 H LEU 15 H LEU 15 17.367 27.407 27.407 91 HA LEU 15 HA LEU 15 16.678 28.125 28.125 92 1HB LEU 15 1HB LEU 15 18.487 25.848 25.848 93 2HB LEU 15 2HB LEU 15 18.210 26.404 26.404 94 HG LEU 15 HG LEU 15 19.683 27.998 27.998 95 1HD1 LEU 15 1HD1 LEU 15 20.963 26.030 26.030 96 2HD1 LEU 15 2HD1 LEU 15 20.732 26.688 26.688 97 3HD1 LEU 15 3HD1 LEU 15 21.698 27.589 27.589 98 1HD2 LEU 15 1HD2 LEU 15 19.217 28.790 28.790 99 2HD2 LEU 15 2HD2 LEU 15 18.518 29.601 29.601 100 3HD2 LEU 15 3HD2 LEU 15 20.265 29.650 29.650 101 H CYS 16 H CYS 16 15.385 26.161 26.161 102 HA CYS 16 HA CYS 16 13.612 24.709 24.709 103 1HB CYS 16 1HB CYS 16 14.721 23.789 23.789 104 2HB CYS 16 2HB CYS 16 13.622 22.870 22.870 105 1HN NH2 17 1H NH2 17 11.480 26.549 26.549 106 2HN NH2 17 2H NH2 17 13.304 26.706 26.706 Start of MODEL 6 1 1H GLY 1 2H GLY 1 15.101 14.075 14.075 2 2H GLY 1 3H GLY 1 13.832 15.176 15.176 3 3H GLY 1 1H GLY 1 14.551 14.804 14.804 4 1HA GLY 1 1HA GLY 1 16.644 15.832 15.832 5 2HA GLY 1 2HA GLY 1 15.308 16.981 16.981 6 H CYS 2 H CYS 2 17.228 17.934 17.934 7 HA CYS 2 HA CYS 2 17.328 16.923 16.923 8 1HB CYS 2 1HB CYS 2 19.269 17.860 17.860 9 2HB CYS 2 2HB CYS 2 18.418 19.280 19.280 10 H CYS 3 H CYS 3 15.808 19.952 19.952 11 HA CYS 3 HA CYS 3 14.244 20.856 20.856 12 1HB CYS 3 1HB CYS 3 14.636 22.079 22.079 13 2HB CYS 3 2HB CYS 3 13.701 20.882 20.882 14 H SER 4 H SER 4 13.538 18.017 18.017 15 HA SER 4 HA SER 4 10.793 17.588 17.588 16 1HB SER 4 1HB SER 4 10.928 15.693 15.693 17 2HB SER 4 2HB SER 4 11.618 17.006 17.006 18 HG SER 4 HG SER 4 13.114 15.057 15.057 19 H ASN 5 H ASN 5 13.962 16.717 16.717 20 HA ASN 5 HA ASN 5 12.892 14.522 14.522 21 1HB ASN 5 1HB ASN 5 15.692 15.944 15.944 22 2HB ASN 5 2HB ASN 5 15.264 14.591 14.591 23 1HD2 ASN 5 2HD2 ASN 5 16.762 12.586 12.586 24 2HD2 ASN 5 1HD2 ASN 5 17.036 13.716 13.716 25 HA PRO 6 HA PRO 6 12.390 17.619 17.619 26 1HB PRO 6 1HB PRO 6 12.583 16.027 16.027 27 2HB PRO 6 2HB PRO 6 11.188 16.056 16.056 28 1HG PRO 6 1HG PRO 6 13.268 14.005 14.005 29 2HG PRO 6 2HG PRO 6 11.564 13.776 13.776 30 1HD PRO 6 1HD PRO 6 13.446 13.752 13.752 31 2HD PRO 6 2HD PRO 6 11.772 14.172 14.172 32 H VAL 7 H VAL 7 15.332 15.947 15.947 33 HA VAL 7 HA VAL 7 16.717 17.631 17.631 34 HB VAL 7 HB VAL 7 17.397 15.090 15.090 35 1HG1 VAL 7 1HG1 VAL 7 19.557 16.139 16.139 36 2HG1 VAL 7 2HG1 VAL 7 18.997 16.154 16.154 37 3HG1 VAL 7 3HG1 VAL 7 19.288 14.608 14.608 38 1HG2 VAL 7 1HG2 VAL 7 15.610 14.597 14.597 39 2HG2 VAL 7 2HG2 VAL 7 17.106 13.740 13.740 40 3HG2 VAL 7 3HG2 VAL 7 16.638 15.205 15.205 41 H CYS 8 H CYS 8 17.686 16.619 16.619 42 HA CYS 8 HA CYS 8 19.498 18.819 18.819 43 1HB CYS 8 1HB CYS 8 19.970 16.807 16.807 44 2HB CYS 8 2HB CYS 8 18.469 17.053 17.053 45 H HIS 9 H HIS 9 16.424 18.832 18.832 46 HA HIS 9 HA HIS 9 16.040 21.472 21.472 47 1HB HIS 9 1HB HIS 9 14.287 19.728 19.728 48 2HB HIS 9 2HB HIS 9 14.539 19.668 19.668 49 HD1 HIS 9 HD1 HIS 9 11.849 19.859 19.859 50 HD2 HIS 9 HD2 HIS 9 13.902 22.910 22.910 51 HE1 HIS 9 HE1 HIS 9 10.573 21.978 21.978 52 HE2 HIS 9 HE2 HIS 9 11.304 23.665 23.665 53 H LEU 10 H LEU 10 16.718 20.427 20.427 54 HA LEU 10 HA LEU 10 16.006 23.226 23.226 55 1HB LEU 10 1HB LEU 10 15.896 20.589 20.589 56 2HB LEU 10 2HB LEU 10 15.743 22.157 22.157 57 HG LEU 10 HG LEU 10 13.881 21.067 21.067 58 1HD1 LEU 10 1HD1 LEU 10 13.649 19.910 19.910 59 2HD1 LEU 10 2HD1 LEU 10 13.346 21.472 21.472 60 3HD1 LEU 10 3HD1 LEU 10 12.196 20.833 20.833 61 1HD2 LEU 10 1HD2 LEU 10 13.592 23.663 23.663 62 2HD2 LEU 10 2HD2 LEU 10 13.887 23.643 23.643 63 3HD2 LEU 10 3HD2 LEU 10 12.354 23.035 23.035 64 H GLU 11 H GLU 11 18.702 20.866 20.866 65 HA GLU 11 HA GLU 11 20.786 22.441 22.441 66 1HB GLU 11 1HB GLU 11 20.036 20.569 20.569 67 2HB GLU 11 2HB GLU 11 21.465 21.324 21.324 68 1HG GLU 11 1HG GLU 11 22.246 20.392 20.392 69 2HG GLU 11 2HG GLU 11 20.692 19.573 19.573 70 HE2 GLU 11 HE2 GLU 11 22.616 16.958 16.958 71 H HIS 12 H HIS 12 19.001 23.031 23.031 72 HA HIS 12 HA HIS 12 20.477 25.537 25.537 73 1HB HIS 12 1HB HIS 12 19.564 23.416 23.416 74 2HB HIS 12 2HB HIS 12 20.513 24.720 24.720 75 HD1 HIS 12 HD1 HIS 12 20.876 21.151 21.151 76 HD2 HIS 12 HD2 HIS 12 23.163 24.601 24.601 77 HE1 HIS 12 HE1 HIS 12 23.276 20.421 20.421 78 HE2 HIS 12 HE2 HIS 12 24.800 22.470 22.470 79 H SER 13 H SER 13 18.132 25.566 25.566 80 HA SER 13 HA SER 13 15.872 25.484 25.484 81 1HB SER 13 1HB SER 13 14.735 26.724 26.724 82 2HB SER 13 2HB SER 13 16.011 25.676 25.676 83 HG SER 13 HG SER 13 16.095 28.512 28.512 84 H ASN 14 H ASN 14 17.724 27.985 27.985 85 HA ASN 14 HA ASN 14 16.470 29.917 29.917 86 1HB ASN 14 1HB ASN 14 18.681 30.384 30.384 87 2HB ASN 14 2HB ASN 14 18.752 30.292 30.292 88 1HD2 ASN 14 1HD2 ASN 14 21.409 28.123 28.123 89 2HD2 ASN 14 2HD2 ASN 14 20.018 28.676 28.676 90 H LEU 15 H LEU 15 17.907 26.626 26.626 91 HA LEU 15 HA LEU 15 17.444 26.993 26.993 92 1HB LEU 15 1HB LEU 15 19.670 26.615 26.615 93 2HB LEU 15 2HB LEU 15 19.045 25.327 25.327 94 HG LEU 15 HG LEU 15 18.495 24.107 24.107 95 1HD1 LEU 15 1HD2 LEU 15 20.218 26.273 26.273 96 2HD1 LEU 15 2HD2 LEU 15 19.835 24.737 24.737 97 3HD1 LEU 15 3HD2 LEU 15 18.538 25.874 25.874 98 1HD2 LEU 15 1HD1 LEU 15 21.520 24.740 24.740 99 2HD2 LEU 15 2HD1 LEU 15 20.588 23.472 23.472 100 3HD2 LEU 15 3HD1 LEU 15 20.947 23.302 23.302 101 H CYS 16 H CYS 16 15.717 25.614 25.614 102 HA CYS 16 HA CYS 16 13.901 24.193 24.193 103 1HB CYS 16 1HB CYS 16 14.291 23.004 23.004 104 2HB CYS 16 2HB CYS 16 13.513 24.383 24.383 105 1HN NH2 17 1H NH2 17 12.396 27.730 27.730 106 2HN NH2 17 2H NH2 17 13.772 26.998 26.998 Start of MODEL 7 1 1H GLY 1 3H GLY 1 15.295 24.827 24.827 2 2H GLY 1 1H GLY 1 15.566 25.253 25.253 3 3H GLY 1 2H GLY 1 14.146 24.462 24.462 4 1HA GLY 1 1HA GLY 1 15.658 22.889 22.889 5 2HA GLY 1 2HA GLY 1 16.912 23.301 23.301 6 H CYS 2 H CYS 2 16.824 20.853 20.853 7 HA CYS 2 HA CYS 2 14.997 19.697 19.697 8 1HB CYS 2 1HB CYS 2 16.137 18.416 18.416 9 2HB CYS 2 2HB CYS 2 17.428 19.169 19.169 10 H CYS 3 H CYS 3 13.660 20.271 20.271 11 HA CYS 3 HA CYS 3 12.642 21.191 21.191 12 1HB CYS 3 1HB CYS 3 11.177 21.011 21.011 13 2HB CYS 3 2HB CYS 3 10.295 21.142 21.142 14 H SER 4 H SER 4 12.257 18.450 18.450 15 HA SER 4 HA SER 4 10.171 16.982 16.982 16 1HB SER 4 1HB SER 4 12.112 16.058 16.058 17 2HB SER 4 2HB SER 4 10.676 15.192 15.192 18 HG SER 4 HG SER 4 9.989 16.329 16.329 19 H ASN 5 H ASN 5 13.581 17.005 17.005 20 HA ASN 5 HA ASN 5 13.509 14.617 14.617 21 1HB ASN 5 1HB ASN 5 15.586 16.928 16.928 22 2HB ASN 5 2HB ASN 5 15.776 15.600 15.600 23 1HD2 ASN 5 1HD2 ASN 5 17.207 13.570 13.570 24 2HD2 ASN 5 2HD2 ASN 5 16.566 13.873 13.873 25 HA PRO 6 HA PRO 6 12.514 17.299 17.299 26 1HB PRO 6 1HB PRO 6 13.454 15.627 15.627 27 2HB PRO 6 2HB PRO 6 11.937 15.311 15.311 28 1HG PRO 6 1HG PRO 6 14.716 14.152 14.152 29 2HG PRO 6 2HG PRO 6 13.289 13.257 13.257 30 1HD PRO 6 1HD PRO 6 13.915 13.793 13.793 31 2HD PRO 6 2HD PRO 6 12.222 13.946 13.946 32 H VAL 7 H VAL 7 15.531 15.687 15.687 33 HA VAL 7 HA VAL 7 17.024 17.649 17.649 34 HB VAL 7 HB VAL 7 17.713 15.129 15.129 35 1HG1 VAL 7 1HG1 VAL 7 19.659 16.478 16.478 36 2HG1 VAL 7 2HG1 VAL 7 19.905 14.895 14.895 37 3HG1 VAL 7 3HG1 VAL 7 19.867 16.371 16.371 38 1HG2 VAL 7 1HG2 VAL 7 16.339 14.674 14.674 39 2HG2 VAL 7 2HG2 VAL 7 17.926 13.887 13.887 40 3HG2 VAL 7 3HG2 VAL 7 17.631 15.375 15.375 41 H CYS 8 H CYS 8 17.543 16.742 16.742 42 HA CYS 8 HA CYS 8 19.291 18.993 18.993 43 1HB CYS 8 1HB CYS 8 19.906 18.359 18.359 44 2HB CYS 8 2HB CYS 8 19.346 16.820 16.820 45 H HIS 9 H HIS 9 16.155 19.012 19.012 46 HA HIS 9 HA HIS 9 15.802 21.717 21.717 47 1HB HIS 9 1HB HIS 9 13.998 20.013 20.013 48 2HB HIS 9 2HB HIS 9 14.275 19.844 19.844 49 HD1 HIS 9 HD1 HIS 9 11.523 19.983 19.983 50 HD2 HIS 9 HD2 HIS 9 13.710 23.124 23.124 51 HE1 HIS 9 HE1 HIS 9 10.240 22.154 22.154 52 HE2 HIS 9 HE2 HIS 9 11.149 23.979 23.979 53 H LEU 10 H LEU 10 16.565 20.437 20.437 54 HA LEU 10 HA LEU 10 15.853 23.177 23.177 55 1HB LEU 10 1HB LEU 10 15.789 20.470 20.470 56 2HB LEU 10 2HB LEU 10 15.614 21.988 21.988 57 HG LEU 10 HG LEU 10 13.776 21.078 21.078 58 1HD1 LEU 10 1HD1 LEU 10 13.514 19.631 19.631 59 2HD1 LEU 10 2HD1 LEU 10 13.219 21.053 21.053 60 3HD1 LEU 10 3HD1 LEU 10 12.070 20.622 20.622 61 1HD2 LEU 10 1HD2 LEU 10 13.431 23.469 23.469 62 2HD2 LEU 10 2HD2 LEU 10 13.750 23.615 23.615 63 3HD2 LEU 10 3HD2 LEU 10 12.221 22.930 22.930 64 H GLU 11 H GLU 11 18.586 20.872 20.872 65 HA GLU 11 HA GLU 11 20.610 22.632 22.632 66 1HB GLU 11 1HB GLU 11 20.226 20.477 20.477 67 2HB GLU 11 2HB GLU 11 21.686 21.315 21.315 68 1HG GLU 11 1HG GLU 11 20.504 19.866 19.866 69 2HG GLU 11 2HG GLU 11 21.522 19.037 19.037 70 HE2 GLU 11 HE2 GLU 11 23.298 20.695 20.695 71 H HIS 12 H HIS 12 18.881 22.984 22.984 72 HA HIS 12 HA HIS 12 20.503 25.381 25.381 73 1HB HIS 12 1HB HIS 12 20.193 22.896 22.896 74 2HB HIS 12 2HB HIS 12 20.761 24.433 24.433 75 HD1 HIS 12 HD1 HIS 12 22.161 21.270 21.270 76 HD2 HIS 12 HD2 HIS 12 23.080 25.414 25.414 77 HE1 HIS 12 HE1 HIS 12 24.546 21.507 21.507 78 HE2 HIS 12 HE2 HIS 12 25.247 23.986 23.986 79 H SER 13 H SER 13 18.213 25.528 25.528 80 HA SER 13 HA SER 13 15.984 25.406 25.406 81 1HB SER 13 1HB SER 13 14.918 26.716 26.716 82 2HB SER 13 2HB SER 13 16.189 25.669 25.669 83 HG SER 13 HG SER 13 16.292 27.883 27.883 84 H ASN 14 H ASN 14 17.682 28.043 28.043 85 HA ASN 14 HA ASN 14 15.996 29.614 29.614 86 1HB ASN 14 1HB ASN 14 19.077 29.480 29.480 87 2HB ASN 14 2HB ASN 14 18.117 30.598 30.598 88 1HD2 ASN 14 1HD2 ASN 14 19.181 32.098 32.098 89 2HD2 ASN 14 2HD2 ASN 14 20.070 30.813 30.813 90 H LEU 15 H LEU 15 18.075 26.786 26.786 91 HA LEU 15 HA LEU 15 17.817 26.655 26.655 92 1HB LEU 15 1HB LEU 15 19.441 24.839 24.839 93 2HB LEU 15 2HB LEU 15 19.501 24.930 24.930 94 HG LEU 15 HG LEU 15 19.973 27.590 27.590 95 1HD1 LEU 15 1HD2 LEU 15 20.114 27.186 27.186 96 2HD1 LEU 15 2HD2 LEU 15 21.652 26.334 26.334 97 3HD1 LEU 15 3HD2 LEU 15 21.466 28.028 28.028 98 1HD2 LEU 15 1HD1 LEU 15 21.352 26.151 26.151 99 2HD2 LEU 15 2HD1 LEU 15 22.393 27.132 27.132 100 3HD2 LEU 15 3HD1 LEU 15 22.152 25.399 25.399 101 H CYS 16 H CYS 16 16.215 25.198 25.198 102 HA CYS 16 HA CYS 16 14.354 23.684 23.684 103 1HB CYS 16 1HB CYS 16 13.919 22.928 22.928 104 2HB CYS 16 2HB CYS 16 13.846 24.608 24.608 105 1HN NH2 17 1H NH2 17 13.331 27.672 27.672 106 2HN NH2 17 2H NH2 17 14.065 26.808 26.808 Start of MODEL 8 1 1H GLY 1 2H GLY 1 15.514 12.330 12.330 2 2H GLY 1 3H GLY 1 14.160 13.325 13.325 3 3H GLY 1 1H GLY 1 14.892 12.806 12.806 4 1HA GLY 1 1HA GLY 1 16.900 14.089 14.089 5 2HA GLY 1 2HA GLY 1 15.485 15.135 15.135 6 H CYS 2 H CYS 2 17.770 15.985 15.985 7 HA CYS 2 HA CYS 2 17.823 15.346 15.346 8 1HB CYS 2 1HB CYS 2 19.820 15.480 15.480 9 2HB CYS 2 2HB CYS 2 19.337 17.030 17.030 10 H CYS 3 H CYS 3 17.037 18.582 18.582 11 HA CYS 3 HA CYS 3 15.467 19.806 19.806 12 1HB CYS 3 1HB CYS 3 16.043 20.132 20.132 13 2HB CYS 3 2HB CYS 3 14.777 20.947 20.947 14 H SER 4 H SER 4 14.830 17.182 17.182 15 HA SER 4 HA SER 4 11.864 17.140 17.140 16 1HB SER 4 1HB SER 4 12.092 16.532 16.532 17 2HB SER 4 2HB SER 4 13.537 15.611 15.611 18 HG SER 4 HG SER 4 11.077 14.794 14.794 19 H ASN 5 H ASN 5 14.730 15.832 15.832 20 HA ASN 5 HA ASN 5 13.009 14.339 14.339 21 1HB ASN 5 1HB ASN 5 16.026 15.166 15.166 22 2HB ASN 5 2HB ASN 5 15.262 14.397 14.397 23 1HD2 ASN 5 2HD2 ASN 5 16.559 11.520 11.520 24 2HD2 ASN 5 1HD2 ASN 5 16.775 13.053 13.053 25 HA PRO 6 HA PRO 6 12.543 18.273 18.273 26 1HB PRO 6 1HB PRO 6 12.289 17.264 17.264 27 2HB PRO 6 2HB PRO 6 11.000 17.378 17.378 28 1HG PRO 6 1HG PRO 6 12.454 14.982 14.982 29 2HG PRO 6 2HG PRO 6 10.806 15.099 15.099 30 1HD PRO 6 1HD PRO 6 12.903 14.170 14.170 31 2HD PRO 6 2HD PRO 6 11.442 14.834 14.834 32 H VAL 7 H VAL 7 14.934 16.119 16.119 33 HA VAL 7 HA VAL 7 16.393 18.231 18.231 34 HB VAL 7 HB VAL 7 16.901 15.227 15.227 35 1HG1 VAL 7 1HG2 VAL 7 19.160 16.214 16.214 36 2HG1 VAL 7 2HG2 VAL 7 18.453 16.795 16.795 37 3HG1 VAL 7 3HG2 VAL 7 18.584 15.052 15.052 38 1HG2 VAL 7 1HG1 VAL 7 14.920 15.564 15.564 39 2HG2 VAL 7 2HG1 VAL 7 16.225 14.716 14.716 40 3HG2 VAL 7 3HG1 VAL 7 15.944 16.442 16.442 41 H CYS 8 H CYS 8 17.159 16.662 16.662 42 HA CYS 8 HA CYS 8 17.492 17.708 17.708 43 1HB CYS 8 1HB CYS 8 20.468 17.938 17.938 44 2HB CYS 8 2HB CYS 8 19.569 16.571 16.571 45 H HIS 9 H HIS 9 16.006 18.837 18.837 46 HA HIS 9 HA HIS 9 16.027 21.422 21.422 47 1HB HIS 9 1HB HIS 9 14.187 19.622 19.622 48 2HB HIS 9 2HB HIS 9 14.266 20.336 20.336 49 HD1 HIS 9 HD1 HIS 9 11.954 20.579 20.579 50 HD2 HIS 9 HD2 HIS 9 13.914 22.898 22.898 51 HE1 HIS 9 HE1 HIS 9 10.845 22.914 22.914 52 HE2 HIS 9 HE2 HIS 9 11.596 24.338 24.338 53 H LEU 10 H LEU 10 16.128 20.478 20.478 54 HA LEU 10 HA LEU 10 16.224 23.291 23.291 55 1HB LEU 10 1HB LEU 10 15.550 20.715 20.715 56 2HB LEU 10 2HB LEU 10 15.625 22.301 22.301 57 HG LEU 10 HG LEU 10 13.613 21.483 21.483 58 1HD1 LEU 10 1HD2 LEU 10 13.181 21.885 21.885 59 2HD1 LEU 10 2HD2 LEU 10 11.909 21.579 21.579 60 3HD1 LEU 10 3HD2 LEU 10 13.138 20.340 20.340 61 1HD2 LEU 10 1HD1 LEU 10 13.834 24.128 24.128 62 2HD2 LEU 10 2HD1 LEU 10 14.034 23.922 23.922 63 3HD2 LEU 10 3HD1 LEU 10 12.448 23.672 23.672 64 H GLU 11 H GLU 11 18.511 20.743 20.743 65 HA GLU 11 HA GLU 11 20.630 22.007 22.007 66 1HB GLU 11 1HB GLU 11 20.102 20.092 20.092 67 2HB GLU 11 2HB GLU 11 21.315 21.050 21.050 68 1HG GLU 11 1HG GLU 11 20.944 19.574 19.574 69 2HG GLU 11 2HG GLU 11 21.853 18.865 18.865 70 HE2 GLU 11 HE2 GLU 11 23.835 20.878 20.878 71 H HIS 12 H HIS 12 18.865 23.079 23.079 72 HA HIS 12 HA HIS 12 20.170 25.744 25.744 73 1HB HIS 12 1HB HIS 12 20.830 25.893 25.893 74 2HB HIS 12 2HB HIS 12 21.556 24.631 24.631 75 HD1 HIS 12 HD1 HIS 12 22.610 23.123 23.123 76 HD2 HIS 12 HD2 HIS 12 18.550 23.512 23.512 77 HE1 HIS 12 HE1 HIS 12 21.501 20.859 20.859 78 HE2 HIS 12 HE2 HIS 12 18.947 21.045 21.045 79 H SER 13 H SER 13 18.082 25.458 25.458 80 HA SER 13 HA SER 13 15.801 25.510 25.510 81 1HB SER 13 1HB SER 13 16.258 25.440 25.440 82 2HB SER 13 2HB SER 13 16.375 27.194 27.194 83 HG SER 13 HG SER 13 14.303 27.039 27.039 84 H ASN 14 H ASN 14 17.304 28.297 28.297 85 HA ASN 14 HA ASN 14 15.519 30.344 30.344 86 1HB ASN 14 1HB ASN 14 18.599 30.315 30.315 87 2HB ASN 14 2HB ASN 14 17.565 31.654 31.654 88 1HD2 ASN 14 2HD2 ASN 14 18.877 32.254 32.254 89 2HD2 ASN 14 1HD2 ASN 14 19.690 31.583 31.583 90 H LEU 15 H LEU 15 17.716 27.853 27.853 91 HA LEU 15 HA LEU 15 17.308 28.751 28.751 92 1HB LEU 15 1HB LEU 15 19.167 26.614 26.614 93 2HB LEU 15 2HB LEU 15 19.115 27.121 27.121 94 HG LEU 15 HG LEU 15 19.368 29.595 29.595 95 1HD1 LEU 15 1HD2 LEU 15 19.900 28.429 28.429 96 2HD1 LEU 15 2HD2 LEU 15 21.443 27.898 27.898 97 3HD1 LEU 15 3HD2 LEU 15 21.074 29.613 29.613 98 1HD2 LEU 15 1HD1 LEU 15 20.590 28.889 28.889 99 2HD2 LEU 15 2HD1 LEU 15 21.697 29.628 29.628 100 3HD2 LEU 15 3HD1 LEU 15 21.670 27.849 27.849 101 H CYS 16 H CYS 16 15.787 26.528 26.528 102 HA CYS 16 HA CYS 16 14.308 25.329 25.329 103 1HB CYS 16 1HB CYS 16 15.396 23.966 23.966 104 2HB CYS 16 2HB CYS 16 14.203 23.225 23.225 105 1HN NH2 17 1H NH2 17 11.781 26.742 26.742 106 2HN NH2 17 2H NH2 17 13.561 27.023 27.023 Start of MODEL 9 1 1H GLY 1 3H GLY 1 13.778 17.454 17.454 2 2H GLY 1 1H GLY 1 14.460 17.190 17.190 3 3H GLY 1 2H GLY 1 14.557 16.000 16.000 4 1HA GLY 1 1HA GLY 1 16.706 17.160 17.160 5 2HA GLY 1 2HA GLY 1 15.885 18.685 18.685 6 H CYS 2 H CYS 2 17.863 18.469 18.469 7 HA CYS 2 HA CYS 2 17.364 16.850 16.850 8 1HB CYS 2 1HB CYS 2 19.599 17.573 17.573 9 2HB CYS 2 2HB CYS 2 19.096 19.273 19.273 10 H CYS 3 H CYS 3 16.530 20.353 20.353 11 HA CYS 3 HA CYS 3 14.839 21.061 21.061 12 1HB CYS 3 1HB CYS 3 14.936 21.357 21.357 13 2HB CYS 3 2HB CYS 3 13.940 22.263 22.263 14 H SER 4 H SER 4 14.301 18.380 18.380 15 HA SER 4 HA SER 4 11.365 18.182 18.182 16 1HB SER 4 1HB SER 4 13.091 16.258 16.258 17 2HB SER 4 2HB SER 4 11.370 16.320 16.320 18 HG SER 4 HG SER 4 11.461 18.347 18.347 19 H ASN 5 H ASN 5 14.271 17.096 17.096 20 HA ASN 5 HA ASN 5 12.969 14.872 14.872 21 1HB ASN 5 1HB ASN 5 15.578 15.875 15.875 22 2HB ASN 5 2HB ASN 5 15.518 15.883 15.883 23 1HD2 ASN 5 1HD2 ASN 5 16.865 12.822 12.822 24 2HD2 ASN 5 2HD2 ASN 5 16.570 14.001 14.001 25 HA PRO 6 HA PRO 6 12.147 17.406 17.406 26 1HB PRO 6 1HB PRO 6 12.851 15.717 15.717 27 2HB PRO 6 2HB PRO 6 11.413 15.445 15.445 28 1HG PRO 6 1HG PRO 6 14.194 14.179 14.179 29 2HG PRO 6 2HG PRO 6 12.703 13.341 13.341 30 1HD PRO 6 1HD PRO 6 13.463 13.896 13.896 31 2HD PRO 6 2HD PRO 6 11.777 14.144 14.144 32 H VAL 7 H VAL 7 15.090 15.693 15.693 33 HA VAL 7 HA VAL 7 16.248 17.751 17.751 34 HB VAL 7 HB VAL 7 17.072 14.926 14.926 35 1HG1 VAL 7 1HG2 VAL 7 18.533 16.500 16.500 36 2HG1 VAL 7 2HG2 VAL 7 18.779 14.781 14.781 37 3HG1 VAL 7 3HG2 VAL 7 19.247 16.014 16.014 38 1HG2 VAL 7 1HG1 VAL 7 15.088 15.000 15.000 39 2HG2 VAL 7 2HG1 VAL 7 16.466 14.183 14.183 40 3HG2 VAL 7 3HG1 VAL 7 16.071 15.852 15.852 41 H CYS 8 H CYS 8 17.529 16.484 16.484 42 HA CYS 8 HA CYS 8 19.543 18.563 18.563 43 1HB CYS 8 1HB CYS 8 20.672 17.625 17.625 44 2HB CYS 8 2HB CYS 8 19.821 16.197 16.197 45 H HIS 9 H HIS 9 16.544 18.625 18.625 46 HA HIS 9 HA HIS 9 16.472 21.160 21.160 47 1HB HIS 9 1HB HIS 9 14.536 19.651 19.651 48 2HB HIS 9 2HB HIS 9 14.624 19.629 19.629 49 HD1 HIS 9 HD1 HIS 9 12.279 20.746 20.746 50 HD2 HIS 9 HD2 HIS 9 14.311 22.656 22.656 51 HE1 HIS 9 HE1 HIS 9 11.435 23.142 23.142 52 HE2 HIS 9 HE2 HIS 9 12.068 24.070 24.070 53 H LEU 10 H LEU 10 16.792 20.326 20.326 54 HA LEU 10 HA LEU 10 16.075 23.150 23.150 55 1HB LEU 10 1HB LEU 10 16.351 20.578 20.578 56 2HB LEU 10 2HB LEU 10 16.162 22.134 22.134 57 HG LEU 10 HG LEU 10 14.108 21.029 21.029 58 1HD1 LEU 10 1HD2 LEU 10 14.248 19.563 19.563 59 2HD1 LEU 10 2HD2 LEU 10 14.032 20.969 20.969 60 3HD1 LEU 10 3HD2 LEU 10 12.723 20.461 20.461 61 1HD2 LEU 10 1HD1 LEU 10 13.901 23.380 23.380 62 2HD2 LEU 10 2HD1 LEU 10 13.974 23.546 23.546 63 3HD2 LEU 10 3HD1 LEU 10 12.577 22.767 22.767 64 H GLU 11 H GLU 11 18.982 21.086 21.086 65 HA GLU 11 HA GLU 11 20.989 22.752 22.752 66 1HB GLU 11 1HB GLU 11 20.244 20.358 20.358 67 2HB GLU 11 2HB GLU 11 21.171 21.189 21.189 68 1HG GLU 11 1HG GLU 11 21.703 20.512 20.512 69 2HG GLU 11 2HG GLU 11 22.312 19.494 19.494 70 HE2 GLU 11 HE2 GLU 11 24.818 22.073 22.073 71 H HIS 12 H HIS 12 18.841 23.129 23.129 72 HA HIS 12 HA HIS 12 20.266 25.652 25.652 73 1HB HIS 12 1HB HIS 12 19.349 23.509 23.509 74 2HB HIS 12 2HB HIS 12 20.071 25.045 25.045 75 HD1 HIS 12 HD1 HIS 12 20.829 21.530 21.530 76 HD2 HIS 12 HD2 HIS 12 22.856 25.248 25.248 77 HE1 HIS 12 HE1 HIS 12 23.193 21.175 21.175 78 HE2 HIS 12 HE2 HIS 12 24.657 23.315 23.315 79 H SER 13 H SER 13 18.030 25.452 25.452 80 HA SER 13 HA SER 13 15.700 25.314 25.314 81 1HB SER 13 1HB SER 13 16.186 25.394 25.394 82 2HB SER 13 2HB SER 13 15.949 27.130 27.130 83 HG SER 13 HG SER 13 13.942 26.453 26.453 84 H ASN 14 H ASN 14 17.186 28.126 28.126 85 HA ASN 14 HA ASN 14 15.222 29.984 29.984 86 1HB ASN 14 1HB ASN 14 17.154 30.804 30.804 87 2HB ASN 14 2HB ASN 14 18.273 30.439 30.439 88 1HD2 ASN 14 2HD2 ASN 14 17.172 33.448 33.448 89 2HD2 ASN 14 1HD2 ASN 14 17.957 31.818 31.818 90 H LEU 15 H LEU 15 17.459 27.540 27.540 91 HA LEU 15 HA LEU 15 16.970 28.389 28.389 92 1HB LEU 15 1HB LEU 15 18.760 26.122 26.122 93 2HB LEU 15 2HB LEU 15 18.558 26.636 26.636 94 HG LEU 15 HG LEU 15 19.848 28.381 28.381 95 1HD1 LEU 15 1HD1 LEU 15 21.252 26.381 26.381 96 2HD1 LEU 15 2HD1 LEU 15 21.143 26.801 26.801 97 3HD1 LEU 15 3HD1 LEU 15 21.989 27.881 27.881 98 1HD2 LEU 15 1HD2 LEU 15 19.640 28.855 28.855 99 2HD2 LEU 15 2HD2 LEU 15 18.824 29.802 29.802 100 3HD2 LEU 15 3HD2 LEU 15 20.587 29.841 29.841 101 H CYS 16 H CYS 16 15.548 26.241 26.241 102 HA CYS 16 HA CYS 16 14.267 24.522 24.522 103 1HB CYS 16 1HB CYS 16 15.050 24.770 24.770 104 2HB CYS 16 2HB CYS 16 14.187 23.538 23.538 105 1HN NH2 17 1H NH2 17 11.364 26.516 26.516 106 2HN NH2 17 2H NH2 17 13.117 26.763 26.763 Start of MODEL 10 1 1H GLY 1 2H GLY 1 13.609 13.821 13.821 2 2H GLY 1 3H GLY 1 14.766 12.717 12.717 3 3H GLY 1 1H GLY 1 14.174 12.637 12.637 4 1HA GLY 1 1HA GLY 1 15.167 14.765 14.765 5 2HA GLY 1 2HA GLY 1 16.397 13.615 13.615 6 H CYS 2 H CYS 2 17.482 16.490 16.490 7 HA CYS 2 HA CYS 2 17.423 15.555 15.555 8 1HB CYS 2 1HB CYS 2 19.488 16.286 16.286 9 2HB CYS 2 2HB CYS 2 18.802 17.823 17.823 10 H CYS 3 H CYS 3 16.269 18.871 18.871 11 HA CYS 3 HA CYS 3 14.975 19.778 19.778 12 1HB CYS 3 1HB CYS 3 15.096 20.369 20.369 13 2HB CYS 3 2HB CYS 3 13.973 21.134 21.134 14 H SER 4 H SER 4 13.821 17.372 17.372 15 HA SER 4 HA SER 4 11.119 17.198 17.198 16 1HB SER 4 1HB SER 4 10.925 15.399 15.399 17 2HB SER 4 2HB SER 4 11.240 16.960 16.960 18 HG SER 4 HG SER 4 12.656 15.783 15.783 19 H ASN 5 H ASN 5 14.126 16.304 16.304 20 HA ASN 5 HA ASN 5 12.847 14.208 14.208 21 1HB ASN 5 1HB ASN 5 15.664 15.624 15.624 22 2HB ASN 5 2HB ASN 5 15.103 14.503 14.503 23 1HD2 ASN 5 2HD2 ASN 5 16.997 12.194 12.194 24 2HD2 ASN 5 1HD2 ASN 5 16.926 13.620 13.620 25 HA PRO 6 HA PRO 6 12.094 17.664 17.664 26 1HB PRO 6 1HB PRO 6 12.483 16.408 16.408 27 2HB PRO 6 2HB PRO 6 11.119 16.003 16.003 28 1HG PRO 6 1HG PRO 6 13.849 14.562 14.562 29 2HG PRO 6 2HG PRO 6 12.323 13.818 13.818 30 1HD PRO 6 1HD PRO 6 13.461 13.753 13.753 31 2HD PRO 6 2HD PRO 6 11.756 14.056 14.056 32 H VAL 7 H VAL 7 14.924 15.867 15.867 33 HA VAL 7 HA VAL 7 16.172 18.010 18.010 34 HB VAL 7 HB VAL 7 16.913 15.105 15.105 35 1HG1 VAL 7 1HG2 VAL 7 18.553 16.771 16.771 36 2HG1 VAL 7 2HG2 VAL 7 18.711 15.021 15.021 37 3HG1 VAL 7 3HG2 VAL 7 19.153 16.144 16.144 38 1HG2 VAL 7 1HG1 VAL 7 15.015 15.435 15.435 39 2HG2 VAL 7 2HG1 VAL 7 16.386 14.528 14.528 40 3HG2 VAL 7 3HG1 VAL 7 16.165 16.240 16.240 41 H CYS 8 H CYS 8 17.375 16.592 16.592 42 HA CYS 8 HA CYS 8 19.470 18.622 18.622 43 1HB CYS 8 1HB CYS 8 20.640 17.616 17.616 44 2HB CYS 8 2HB CYS 8 19.952 16.254 16.254 45 H HIS 9 H HIS 9 16.613 18.615 18.615 46 HA HIS 9 HA HIS 9 16.271 21.075 21.075 47 1HB HIS 9 1HB HIS 9 14.649 19.276 19.276 48 2HB HIS 9 2HB HIS 9 14.896 19.917 19.917 49 HD1 HIS 9 HD1 HIS 9 12.130 19.621 19.621 50 HD2 HIS 9 HD2 HIS 9 14.281 22.747 22.747 51 HE1 HIS 9 HE1 HIS 9 10.736 21.735 21.735 52 HE2 HIS 9 HE2 HIS 9 11.703 23.707 23.707 53 H LEU 10 H LEU 10 16.593 20.389 20.389 54 HA LEU 10 HA LEU 10 16.278 23.327 23.327 55 1HB LEU 10 1HB LEU 10 15.876 20.820 20.820 56 2HB LEU 10 2HB LEU 10 15.790 22.441 22.441 57 HG LEU 10 HG LEU 10 13.954 21.370 21.370 58 1HD1 LEU 10 1HD1 LEU 10 13.528 20.283 20.283 59 2HD1 LEU 10 2HD1 LEU 10 13.350 21.873 21.873 60 3HD1 LEU 10 3HD1 LEU 10 12.187 21.348 21.348 61 1HD2 LEU 10 1HD2 LEU 10 13.817 24.068 24.068 62 2HD2 LEU 10 2HD2 LEU 10 14.162 23.892 23.892 63 3HD2 LEU 10 3HD2 LEU 10 12.570 23.456 23.456 64 H GLU 11 H GLU 11 18.933 20.923 20.923 65 HA GLU 11 HA GLU 11 20.982 22.550 22.550 66 1HB GLU 11 1HB GLU 11 20.163 20.573 20.573 67 2HB GLU 11 2HB GLU 11 21.427 21.465 21.465 68 1HG GLU 11 1HG GLU 11 22.603 20.766 20.766 69 2HG GLU 11 2HG GLU 11 21.193 19.725 19.725 70 HE2 GLU 11 HE2 GLU 11 23.556 17.508 17.508 71 H HIS 12 H HIS 12 18.949 23.151 23.151 72 HA HIS 12 HA HIS 12 20.338 25.733 25.733 73 1HB HIS 12 1HB HIS 12 19.070 23.909 23.909 74 2HB HIS 12 2HB HIS 12 20.015 25.190 25.190 75 HD1 HIS 12 HD1 HIS 12 20.431 21.483 21.483 76 HD2 HIS 12 HD2 HIS 12 22.868 24.979 24.979 77 HE1 HIS 12 HE1 HIS 12 22.890 20.787 20.787 78 HE2 HIS 12 HE2 HIS 12 24.487 22.836 22.836 79 H SER 13 H SER 13 18.202 25.605 25.605 80 HA SER 13 HA SER 13 15.806 25.516 25.516 81 1HB SER 13 1HB SER 13 14.822 26.491 26.491 82 2HB SER 13 2HB SER 13 16.190 25.446 25.446 83 HG SER 13 HG SER 13 16.050 28.266 28.266 84 H ASN 14 H ASN 14 17.469 28.208 28.208 85 HA ASN 14 HA ASN 14 15.652 30.205 30.205 86 1HB ASN 14 1HB ASN 14 17.858 30.795 30.795 87 2HB ASN 14 2HB ASN 14 18.744 30.273 30.273 88 1HD2 ASN 14 2HD2 ASN 14 17.766 33.363 33.363 89 2HD2 ASN 14 1HD2 ASN 14 18.212 31.626 31.626 90 H LEU 15 H LEU 15 17.494 27.415 27.415 91 HA LEU 15 HA LEU 15 16.936 28.332 28.332 92 1HB LEU 15 1HB LEU 15 18.214 25.707 25.707 93 2HB LEU 15 2HB LEU 15 18.013 26.276 26.276 94 HG LEU 15 HG LEU 15 19.853 27.570 27.570 95 1HD1 LEU 15 1HD1 LEU 15 20.644 25.332 25.332 96 2HD1 LEU 15 2HD1 LEU 15 20.522 26.023 26.023 97 3HD1 LEU 15 3HD1 LEU 15 21.688 26.693 26.693 98 1HD2 LEU 15 1HD2 LEU 15 19.439 28.358 28.358 99 2HD2 LEU 15 2HD2 LEU 15 19.030 29.350 29.350 100 3HD2 LEU 15 3HD2 LEU 15 20.722 28.987 28.987 101 H CYS 16 H CYS 16 15.438 26.334 26.334 102 HA CYS 16 HA CYS 16 13.387 25.317 25.317 103 1HB CYS 16 1HB CYS 16 14.926 23.857 23.857 104 2HB CYS 16 2HB CYS 16 13.649 23.138 23.138 105 1HN NH2 17 1H NH2 17 11.463 26.609 26.609 106 2HN NH2 17 2H NH2 17 13.230 27.059 27.059 Start of MODEL 11 1 1H GLY 1 2H GLY 1 14.704 14.592 14.592 2 2H GLY 1 3H GLY 1 15.944 13.486 13.486 3 3H GLY 1 1H GLY 1 15.162 13.538 13.538 4 1HA GLY 1 1HA GLY 1 16.031 15.750 15.750 5 2HA GLY 1 2HA GLY 1 17.354 14.606 14.606 6 H CYS 2 H CYS 2 18.267 17.524 17.524 7 HA CYS 2 HA CYS 2 18.243 16.888 16.888 8 1HB CYS 2 1HB CYS 2 20.064 17.944 17.944 9 2HB CYS 2 2HB CYS 2 19.208 19.482 19.482 10 H CYS 3 H CYS 3 16.844 19.837 19.837 11 HA CYS 3 HA CYS 3 15.045 20.819 20.819 12 1HB CYS 3 1HB CYS 3 15.804 22.027 22.027 13 2HB CYS 3 2HB CYS 3 14.913 20.901 20.901 14 H SER 4 H SER 4 14.490 18.046 18.046 15 HA SER 4 HA SER 4 11.608 17.735 17.735 16 1HB SER 4 1HB SER 4 11.634 15.947 15.947 17 2HB SER 4 2HB SER 4 12.141 17.476 17.476 18 HG SER 4 HG SER 4 13.568 16.053 16.053 19 H ASN 5 H ASN 5 14.434 16.894 16.894 20 HA ASN 5 HA ASN 5 13.105 14.549 14.549 21 1HB ASN 5 1HB ASN 5 15.834 16.032 16.032 22 2HB ASN 5 2HB ASN 5 15.211 14.889 14.889 23 1HD2 ASN 5 2HD2 ASN 5 17.101 12.554 12.554 24 2HD2 ASN 5 1HD2 ASN 5 17.118 14.008 14.008 25 HA PRO 6 HA PRO 6 12.022 17.599 17.599 26 1HB PRO 6 1HB PRO 6 12.422 16.065 16.065 27 2HB PRO 6 2HB PRO 6 10.983 16.006 16.006 28 1HG PRO 6 1HG PRO 6 13.320 14.028 14.028 29 2HG PRO 6 2HG PRO 6 11.618 13.687 13.687 30 1HD PRO 6 1HD PRO 6 13.176 13.802 13.802 31 2HD PRO 6 2HD PRO 6 11.488 14.212 14.212 32 H VAL 7 H VAL 7 14.914 15.780 15.780 33 HA VAL 7 HA VAL 7 16.143 17.969 17.969 34 HB VAL 7 HB VAL 7 16.978 15.094 15.094 35 1HG1 VAL 7 1HG1 VAL 7 19.036 16.293 16.293 36 2HG1 VAL 7 2HG1 VAL 7 18.211 16.729 16.729 37 3HG1 VAL 7 3HG1 VAL 7 18.574 15.022 15.022 38 1HG2 VAL 7 1HG2 VAL 7 14.935 15.012 15.012 39 2HG2 VAL 7 2HG2 VAL 7 16.320 14.297 14.297 40 3HG2 VAL 7 3HG2 VAL 7 15.763 15.940 15.940 41 H CYS 8 H CYS 8 17.357 16.233 16.233 42 HA CYS 8 HA CYS 8 19.428 18.095 18.095 43 1HB CYS 8 1HB CYS 8 19.221 15.705 15.705 44 2HB CYS 8 2HB CYS 8 18.075 16.381 16.381 45 H HIS 9 H HIS 9 16.385 18.565 18.565 46 HA HIS 9 HA HIS 9 16.478 21.009 21.009 47 1HB HIS 9 1HB HIS 9 14.473 19.599 19.599 48 2HB HIS 9 2HB HIS 9 14.658 19.678 19.678 49 HD1 HIS 9 HD1 HIS 9 12.013 20.122 20.122 50 HD2 HIS 9 HD2 HIS 9 14.410 22.916 22.916 51 HE1 HIS 9 HE1 HIS 9 10.669 22.285 22.285 52 HE2 HIS 9 HE2 HIS 9 11.900 23.935 23.935 53 H LEU 10 H LEU 10 17.004 20.358 20.358 54 HA LEU 10 HA LEU 10 16.375 23.241 23.241 55 1HB LEU 10 1HB LEU 10 16.334 20.719 20.719 56 2HB LEU 10 2HB LEU 10 16.166 22.324 22.324 57 HG LEU 10 HG LEU 10 14.237 21.178 21.178 58 1HD1 LEU 10 1HD2 LEU 10 14.143 19.886 19.886 59 2HD1 LEU 10 2HD2 LEU 10 13.886 21.390 21.390 60 3HD1 LEU 10 3HD2 LEU 10 12.662 20.825 20.825 61 1HD2 LEU 10 1HD1 LEU 10 13.975 23.687 23.687 62 2HD2 LEU 10 2HD1 LEU 10 14.194 23.716 23.716 63 3HD2 LEU 10 3HD1 LEU 10 12.705 23.056 23.056 64 H GLU 11 H GLU 11 19.197 20.963 20.963 65 HA GLU 11 HA GLU 11 21.292 22.346 22.346 66 1HB GLU 11 1HB GLU 11 20.189 20.416 20.416 67 2HB GLU 11 2HB GLU 11 20.641 21.586 21.586 68 1HG GLU 11 1HG GLU 11 22.201 20.404 20.404 69 2HG GLU 11 2HG GLU 11 22.236 19.643 19.643 70 HE2 GLU 11 HE2 GLU 11 25.057 22.220 22.220 71 H HIS 12 H HIS 12 19.058 23.385 23.385 72 HA HIS 12 HA HIS 12 20.067 26.174 26.174 73 1HB HIS 12 1HB HIS 12 20.781 26.228 26.228 74 2HB HIS 12 2HB HIS 12 21.585 25.087 25.087 75 HD1 HIS 12 HD1 HIS 12 22.705 23.477 23.477 76 HD2 HIS 12 HD2 HIS 12 18.642 23.717 23.717 77 HE1 HIS 12 HE1 HIS 12 21.732 21.209 21.209 78 HE2 HIS 12 HE2 HIS 12 19.191 21.255 21.255 79 H SER 13 H SER 13 17.917 25.664 25.664 80 HA SER 13 HA SER 13 15.710 25.459 25.459 81 1HB SER 13 1HB SER 13 15.848 27.426 27.426 82 2HB SER 13 2HB SER 13 14.441 26.450 26.450 83 HG SER 13 HG SER 13 16.085 25.742 25.742 84 H ASN 14 H ASN 14 16.935 28.369 28.369 85 HA ASN 14 HA ASN 14 14.964 30.108 30.108 86 1HB ASN 14 1HB ASN 14 18.025 30.447 30.447 87 2HB ASN 14 2HB ASN 14 16.854 31.625 31.625 88 1HD2 ASN 14 2HD2 ASN 14 17.952 32.539 32.539 89 2HD2 ASN 14 1HD2 ASN 14 18.893 31.941 31.941 90 H LEU 15 H LEU 15 17.521 27.858 27.858 91 HA LEU 15 HA LEU 15 17.106 28.398 28.398 92 1HB LEU 15 1HB LEU 15 19.197 26.636 26.636 93 2HB LEU 15 2HB LEU 15 19.127 27.049 27.049 94 HG LEU 15 HG LEU 15 19.035 29.599 29.599 95 1HD1 LEU 15 1HD2 LEU 15 19.566 28.646 28.646 96 2HD1 LEU 15 2HD2 LEU 15 21.206 28.285 28.285 97 3HD1 LEU 15 3HD2 LEU 15 20.605 29.941 29.941 98 1HD2 LEU 15 1HD1 LEU 15 20.469 28.910 28.910 99 2HD2 LEU 15 2HD1 LEU 15 21.407 29.846 29.846 100 3HD2 LEU 15 3HD1 LEU 15 21.589 28.067 28.067 101 H CYS 16 H CYS 16 15.878 26.220 26.220 102 HA CYS 16 HA CYS 16 14.494 24.599 24.599 103 1HB CYS 16 1HB CYS 16 15.012 23.693 23.693 104 2HB CYS 16 2HB CYS 16 13.559 24.594 24.594 105 1HN NH2 17 1H NH2 17 12.218 27.733 27.733 106 2HN NH2 17 2H NH2 17 13.533 27.077 27.077 Start of MODEL 12 1 1H GLY 1 2H GLY 1 13.437 13.694 13.694 2 2H GLY 1 3H GLY 1 12.600 15.147 15.147 3 3H GLY 1 1H GLY 1 13.135 14.358 14.358 4 1HA GLY 1 1HA GLY 1 15.460 14.728 14.728 5 2HA GLY 1 2HA GLY 1 14.578 16.248 16.248 6 H CYS 2 H CYS 2 16.711 16.753 16.753 7 HA CYS 2 HA CYS 2 16.838 15.983 15.983 8 1HB CYS 2 1HB CYS 2 18.812 16.724 16.724 9 2HB CYS 2 2HB CYS 2 18.010 18.197 18.197 10 H CYS 3 H CYS 3 15.438 19.131 19.131 11 HA CYS 3 HA CYS 3 14.106 20.251 20.251 12 1HB CYS 3 1HB CYS 3 13.585 19.784 19.784 13 2HB CYS 3 2HB CYS 3 12.718 20.874 20.874 14 H SER 4 H SER 4 13.295 17.164 17.164 15 HA SER 4 HA SER 4 10.580 16.864 16.864 16 1HB SER 4 1HB SER 4 12.183 14.721 14.721 17 2HB SER 4 2HB SER 4 10.471 14.809 14.809 18 HG SER 4 HG SER 4 10.444 16.572 16.572 19 H ASN 5 H ASN 5 13.833 16.147 16.147 20 HA ASN 5 HA ASN 5 12.962 14.274 14.274 21 1HB ASN 5 1HB ASN 5 15.569 15.900 15.900 22 2HB ASN 5 2HB ASN 5 15.409 14.806 14.806 23 1HD2 ASN 5 1HD2 ASN 5 16.707 12.280 12.280 24 2HD2 ASN 5 2HD2 ASN 5 16.358 13.135 13.135 25 HA PRO 6 HA PRO 6 12.497 17.544 17.544 26 1HB PRO 6 1HB PRO 6 13.205 16.154 16.154 27 2HB PRO 6 2HB PRO 6 11.719 15.790 15.790 28 1HG PRO 6 1HG PRO 6 14.439 14.365 14.365 29 2HG PRO 6 2HG PRO 6 12.926 13.603 13.603 30 1HD PRO 6 1HD PRO 6 13.907 13.762 13.762 31 2HD PRO 6 2HD PRO 6 12.179 13.944 13.944 32 H VAL 7 H VAL 7 15.398 15.726 15.726 33 HA VAL 7 HA VAL 7 17.061 17.912 17.912 34 HB VAL 7 HB VAL 7 17.558 15.055 15.055 35 1HG1 VAL 7 1HG1 VAL 7 19.627 16.676 16.676 36 2HG1 VAL 7 2HG1 VAL 7 19.782 14.959 14.959 37 3HG1 VAL 7 3HG1 VAL 7 19.764 16.217 16.217 38 1HG2 VAL 7 1HG2 VAL 7 16.249 15.031 15.031 39 2HG2 VAL 7 2HG2 VAL 7 17.828 14.251 14.251 40 3HG2 VAL 7 3HG2 VAL 7 17.564 15.904 15.904 41 H CYS 8 H CYS 8 17.410 16.284 16.284 42 HA CYS 8 HA CYS 8 19.166 18.324 18.324 43 1HB CYS 8 1HB CYS 8 19.243 15.955 15.955 44 2HB CYS 8 2HB CYS 8 17.791 16.330 16.330 45 H HIS 9 H HIS 9 16.024 18.603 18.603 46 HA HIS 9 HA HIS 9 15.955 21.034 21.034 47 1HB HIS 9 1HB HIS 9 14.005 19.522 19.522 48 2HB HIS 9 2HB HIS 9 14.256 19.741 19.741 49 HD1 HIS 9 HD1 HIS 9 11.531 19.975 19.975 50 HD2 HIS 9 HD2 HIS 9 14.030 23.009 23.009 51 HE1 HIS 9 HE1 HIS 9 10.220 22.192 22.192 52 HE2 HIS 9 HE2 HIS 9 11.548 24.088 24.088 53 H LEU 10 H LEU 10 16.722 20.341 20.341 54 HA LEU 10 HA LEU 10 16.040 23.155 23.155 55 1HB LEU 10 1HB LEU 10 15.630 20.602 20.602 56 2HB LEU 10 2HB LEU 10 15.460 22.214 22.214 57 HG LEU 10 HG LEU 10 13.796 21.140 21.140 58 1HD1 LEU 10 1HD2 LEU 10 13.290 19.894 19.894 59 2HD1 LEU 10 2HD2 LEU 10 12.969 21.420 21.420 60 3HD1 LEU 10 3HD2 LEU 10 11.919 20.907 20.907 61 1HD2 LEU 10 1HD1 LEU 10 13.416 23.712 23.712 62 2HD2 LEU 10 2HD1 LEU 10 13.857 23.672 23.672 63 3HD2 LEU 10 3HD1 LEU 10 12.258 23.127 23.127 64 H GLU 11 H GLU 11 18.664 20.718 20.718 65 HA GLU 11 HA GLU 11 20.702 22.154 22.154 66 1HB GLU 11 1HB GLU 11 21.906 21.464 21.464 67 2HB GLU 11 2HB GLU 11 20.744 20.261 20.261 68 1HG GLU 11 1HG GLU 11 19.428 20.512 20.512 69 2HG GLU 11 2HG GLU 11 20.124 22.058 22.058 70 HE1 GLU 11 HE2 GLU 11 22.291 18.796 18.796 71 H HIS 12 H HIS 12 19.186 23.263 23.263 72 HA HIS 12 HA HIS 12 20.646 25.870 25.870 73 1HB HIS 12 1HB HIS 12 19.871 24.005 24.005 74 2HB HIS 12 2HB HIS 12 19.701 25.532 25.532 75 HD1 HIS 12 HD1 HIS 12 22.195 22.809 22.809 76 HD2 HIS 12 HD2 HIS 12 22.355 27.074 27.074 77 HE1 HIS 12 HE1 HIS 12 24.554 23.506 23.506 78 HE2 HIS 12 HE2 HIS 12 24.864 26.105 26.105 79 H SER 13 H SER 13 17.824 25.106 25.106 80 HA SER 13 HA SER 13 16.259 25.417 25.417 81 1HB SER 13 1HB SER 13 15.275 25.276 25.276 82 2HB SER 13 2HB SER 13 14.934 26.990 26.990 83 HG SER 13 HG SER 13 13.655 26.591 26.591 84 H ASN 14 H ASN 14 17.839 27.949 27.949 85 HA ASN 14 HA ASN 14 16.538 29.780 29.780 86 1HB ASN 14 1HB ASN 14 18.691 30.416 30.416 87 2HB ASN 14 2HB ASN 14 18.947 29.985 29.985 88 1HD2 ASN 14 1HD2 ASN 14 20.827 27.815 27.815 89 2HD2 ASN 14 2HD2 ASN 14 19.856 29.331 29.331 90 H LEU 15 H LEU 15 17.818 26.478 26.478 91 HA LEU 15 HA LEU 15 17.789 26.452 26.452 92 1HB LEU 15 1HB LEU 15 19.574 25.759 25.759 93 2HB LEU 15 2HB LEU 15 18.371 24.803 24.803 94 HG LEU 15 HG LEU 15 18.016 23.473 23.473 95 1HD1 LEU 15 1HD2 LEU 15 18.960 24.783 24.783 96 2HD1 LEU 15 2HD2 LEU 15 20.568 24.802 24.802 97 3HD1 LEU 15 3HD2 LEU 15 19.909 23.284 23.284 98 1HD2 LEU 15 1HD1 LEU 15 19.521 22.672 22.672 99 2HD2 LEU 15 2HD1 LEU 15 20.167 22.028 22.028 100 3HD2 LEU 15 3HD1 LEU 15 20.939 23.443 23.443 101 H CYS 16 H CYS 16 15.573 25.599 25.599 102 HA CYS 16 HA CYS 16 13.634 24.165 24.165 103 1HB CYS 16 1HB CYS 16 14.651 23.335 23.335 104 2HB CYS 16 2HB CYS 16 13.446 22.487 22.487 105 1HN NH2 17 1H NH2 17 11.793 26.617 26.617 106 2HN NH2 17 2H NH2 17 13.621 26.710 26.710 Start of MODEL 13 1 1H GLY 1 3H GLY 1 14.412 15.111 15.111 2 2H GLY 1 1H GLY 1 13.728 14.382 14.382 3 3H GLY 1 2H GLY 1 13.075 15.808 15.808 4 1HA GLY 1 1HA GLY 1 14.399 16.227 16.227 5 2HA GLY 1 2HA GLY 1 15.801 15.525 15.525 6 H CYS 2 H CYS 2 16.588 18.881 18.881 7 HA CYS 2 HA CYS 2 16.515 17.136 17.136 8 1HB CYS 2 1HB CYS 2 18.566 18.201 18.201 9 2HB CYS 2 2HB CYS 2 17.801 19.797 19.797 10 H CYS 3 H CYS 3 15.119 20.408 20.408 11 HA CYS 3 HA CYS 3 13.640 21.077 21.077 12 1HB CYS 3 1HB CYS 3 13.659 21.902 21.902 13 2HB CYS 3 2HB CYS 3 12.370 20.804 20.804 14 H SER 4 H SER 4 12.844 18.506 18.506 15 HA SER 4 HA SER 4 10.341 17.587 17.587 16 1HB SER 4 1HB SER 4 9.909 16.340 16.340 17 2HB SER 4 2HB SER 4 11.020 17.351 17.351 18 HG SER 4 HG SER 4 11.445 14.769 14.769 19 H ASN 5 H ASN 5 13.633 17.096 17.096 20 HA ASN 5 HA ASN 5 13.123 14.590 14.590 21 1HB ASN 5 1HB ASN 5 15.504 16.628 16.628 22 2HB ASN 5 2HB ASN 5 15.369 15.080 15.080 23 1HD2 ASN 5 2HD2 ASN 5 17.285 13.705 13.705 24 2HD2 ASN 5 1HD2 ASN 5 17.140 14.472 14.472 25 HA PRO 6 HA PRO 6 12.350 17.088 17.088 26 1HB PRO 6 1HB PRO 6 13.421 15.474 15.474 27 2HB PRO 6 2HB PRO 6 11.901 15.077 15.077 28 1HG PRO 6 1HG PRO 6 14.694 14.052 14.052 29 2HG PRO 6 2HG PRO 6 13.327 13.089 13.089 30 1HD PRO 6 1HD PRO 6 13.758 13.689 13.689 31 2HD PRO 6 2HD PRO 6 12.101 13.788 13.788 32 H VAL 7 H VAL 7 15.443 15.638 15.638 33 HA VAL 7 HA VAL 7 16.711 17.662 17.662 34 HB VAL 7 HB VAL 7 17.623 15.102 15.102 35 1HG1 VAL 7 1HG1 VAL 7 19.287 16.497 16.497 36 2HG1 VAL 7 2HG1 VAL 7 19.627 14.889 14.889 37 3HG1 VAL 7 3HG1 VAL 7 19.732 16.330 16.330 38 1HG2 VAL 7 1HG2 VAL 7 15.968 14.707 14.707 39 2HG2 VAL 7 2HG2 VAL 7 17.528 13.906 13.906 40 3HG2 VAL 7 3HG2 VAL 7 17.135 15.416 15.416 41 H CYS 8 H CYS 8 17.640 16.671 16.671 42 HA CYS 8 HA CYS 8 19.500 18.850 18.850 43 1HB CYS 8 1HB CYS 8 20.240 18.150 18.150 44 2HB CYS 8 2HB CYS 8 19.633 16.645 16.645 45 H HIS 9 H HIS 9 16.445 18.835 18.835 46 HA HIS 9 HA HIS 9 15.935 21.445 21.445 47 1HB HIS 9 1HB HIS 9 14.201 19.700 19.700 48 2HB HIS 9 2HB HIS 9 14.548 19.601 19.601 49 HD1 HIS 9 HD1 HIS 9 11.741 19.710 19.710 50 HD2 HIS 9 HD2 HIS 9 13.875 22.867 22.867 51 HE1 HIS 9 HE1 HIS 9 10.364 21.792 21.792 52 HE2 HIS 9 HE2 HIS 9 11.268 23.547 23.547 53 H LEU 10 H LEU 10 16.743 20.448 20.448 54 HA LEU 10 HA LEU 10 15.947 23.239 23.239 55 1HB LEU 10 1HB LEU 10 16.090 20.622 20.622 56 2HB LEU 10 2HB LEU 10 15.871 22.184 22.184 57 HG LEU 10 HG LEU 10 13.964 21.041 21.041 58 1HD1 LEU 10 1HD1 LEU 10 13.924 19.666 19.666 59 2HD1 LEU 10 2HD1 LEU 10 13.620 21.114 21.114 60 3HD1 LEU 10 3HD1 LEU 10 12.408 20.563 20.563 61 1HD2 LEU 10 3HD2 LEU 10 13.604 23.478 23.478 62 2HD2 LEU 10 1HD2 LEU 10 13.825 23.598 23.598 63 3HD2 LEU 10 2HD2 LEU 10 12.363 22.846 22.846 64 H GLU 11 H GLU 11 18.691 20.959 20.959 65 HA GLU 11 HA GLU 11 20.777 22.604 22.604 66 1HB GLU 11 1HB GLU 11 20.272 20.635 20.635 67 2HB GLU 11 2HB GLU 11 21.796 21.325 21.325 68 1HG GLU 11 1HG GLU 11 22.029 20.301 20.301 69 2HG GLU 11 2HG GLU 11 20.375 19.703 19.703 70 HE2 GLU 11 HE2 GLU 11 22.501 16.929 16.929 71 H HIS 12 H HIS 12 19.054 23.097 23.097 72 HA HIS 12 HA HIS 12 20.322 25.783 25.783 73 1HB HIS 12 1HB HIS 12 20.425 23.706 23.706 74 2HB HIS 12 2HB HIS 12 20.622 25.440 25.440 75 HD1 HIS 12 HD1 HIS 12 22.608 22.411 22.411 76 HD2 HIS 12 HD2 HIS 12 22.808 26.663 26.663 77 HE1 HIS 12 HE1 HIS 12 24.934 23.081 23.081 78 HE2 HIS 12 HE2 HIS 12 25.227 25.661 25.661 79 H SER 13 H SER 13 17.982 25.485 25.485 80 HA SER 13 HA SER 13 15.889 25.354 25.354 81 1HB SER 13 1HB SER 13 15.976 25.553 25.553 82 2HB SER 13 2HB SER 13 15.892 27.301 27.301 83 HG SER 13 HG SER 13 13.867 27.089 27.089 84 H ASN 14 H ASN 14 17.661 27.885 27.885 85 HA ASN 14 HA ASN 14 16.155 29.670 29.670 86 1HB ASN 14 1HB ASN 14 18.278 30.433 30.433 87 2HB ASN 14 2HB ASN 14 18.318 30.390 30.390 88 1HD2 ASN 14 1HD2 ASN 14 21.462 28.865 28.865 89 2HD2 ASN 14 2HD2 ASN 14 20.335 30.145 30.145 90 H LEU 15 H LEU 15 17.778 26.621 26.621 91 HA LEU 15 HA LEU 15 17.311 26.467 26.467 92 1HB LEU 15 1HB LEU 15 18.887 24.492 24.492 93 2HB LEU 15 2HB LEU 15 18.708 24.437 24.437 94 HG LEU 15 HG LEU 15 20.192 26.647 26.647 95 1HD1 LEU 15 1HD1 LEU 15 21.357 24.386 24.386 96 2HD1 LEU 15 2HD1 LEU 15 21.270 24.409 24.409 97 3HD1 LEU 15 3HD1 LEU 15 22.239 25.631 25.631 98 1HD2 LEU 15 1HD2 LEU 15 19.902 26.281 26.281 99 2HD2 LEU 15 2HD2 LEU 15 19.253 27.624 27.624 100 3HD2 LEU 15 3HD2 LEU 15 21.001 27.430 27.430 101 H CYS 16 H CYS 16 15.632 25.474 25.474 102 HA CYS 16 HA CYS 16 13.806 23.901 23.901 103 1HB CYS 16 1HB CYS 16 13.961 22.968 22.968 104 2HB CYS 16 2HB CYS 16 13.297 24.504 24.504 105 1HN NH2 17 1H NH2 17 12.498 27.685 27.685 106 2HN NH2 17 2H NH2 17 13.720 26.943 26.943 Start of MODEL 14 1 1H GLY 1 2H GLY 1 15.358 13.347 13.347 2 2H GLY 1 3H GLY 1 14.275 14.633 14.633 3 3H GLY 1 1H GLY 1 14.959 14.117 14.117 4 1HA GLY 1 1HA GLY 1 17.172 14.824 14.824 5 2HA GLY 1 2HA GLY 1 16.030 16.169 16.169 6 H CYS 2 H CYS 2 17.935 16.982 16.982 7 HA CYS 2 HA CYS 2 17.938 15.913 15.913 8 1HB CYS 2 1HB CYS 2 19.820 16.671 16.671 9 2HB CYS 2 2HB CYS 2 19.553 18.280 18.280 10 H CYS 3 H CYS 3 17.054 19.141 19.141 11 HA CYS 3 HA CYS 3 15.526 20.430 20.430 12 1HB CYS 3 1HB CYS 3 15.363 20.240 20.240 13 2HB CYS 3 2HB CYS 3 14.207 21.139 21.139 14 H SER 4 H SER 4 14.431 17.722 17.722 15 HA SER 4 HA SER 4 11.605 17.769 17.769 16 1HB SER 4 1HB SER 4 11.475 15.857 15.857 17 2HB SER 4 2HB SER 4 12.437 17.000 17.000 18 HG SER 4 HG SER 4 13.499 14.884 14.884 19 H ASN 5 H ASN 5 14.410 16.700 16.700 20 HA ASN 5 HA ASN 5 13.050 14.605 14.605 21 1HB ASN 5 1HB ASN 5 15.738 16.180 16.180 22 2HB ASN 5 2HB ASN 5 15.235 14.989 14.989 23 1HD2 ASN 5 2HD2 ASN 5 17.047 12.689 12.689 24 2HD2 ASN 5 1HD2 ASN 5 16.995 13.945 13.945 25 HA PRO 6 HA PRO 6 12.154 17.618 17.618 26 1HB PRO 6 1HB PRO 6 12.838 16.146 16.146 27 2HB PRO 6 2HB PRO 6 11.372 15.810 15.810 28 1HG PRO 6 1HG PRO 6 14.098 14.393 14.393 29 2HG PRO 6 2HG PRO 6 12.580 13.643 13.643 30 1HD PRO 6 1HD PRO 6 13.351 13.863 13.863 31 2HD PRO 6 2HD PRO 6 11.674 14.207 14.207 32 H VAL 7 H VAL 7 15.040 15.829 15.829 33 HA VAL 7 HA VAL 7 16.414 18.073 18.073 34 HB VAL 7 HB VAL 7 17.128 15.141 15.141 35 1HG1 VAL 7 1HG2 VAL 7 18.791 16.937 16.937 36 2HG1 VAL 7 2HG2 VAL 7 19.010 15.186 15.186 37 3HG1 VAL 7 3HG2 VAL 7 19.354 16.285 16.285 38 1HG2 VAL 7 1HG1 VAL 7 15.305 15.394 15.394 39 2HG2 VAL 7 2HG1 VAL 7 16.753 14.650 14.650 40 3HG2 VAL 7 3HG1 VAL 7 16.399 16.361 16.361 41 H CYS 8 H CYS 8 17.324 16.401 16.401 42 HA CYS 8 HA CYS 8 19.363 18.371 18.371 43 1HB CYS 8 1HB CYS 8 19.656 16.030 16.030 44 2HB CYS 8 2HB CYS 8 18.325 16.358 16.358 45 H HIS 9 H HIS 9 16.322 18.669 18.669 46 HA HIS 9 HA HIS 9 16.306 21.078 21.078 47 1HB HIS 9 1HB HIS 9 14.482 19.479 19.479 48 2HB HIS 9 2HB HIS 9 14.682 20.128 20.128 49 HD1 HIS 9 HD1 HIS 9 12.050 20.042 20.042 50 HD2 HIS 9 HD2 HIS 9 14.407 22.959 22.959 51 HE1 HIS 9 HE1 HIS 9 10.850 22.277 22.277 52 HE2 HIS 9 HE2 HIS 9 12.010 24.218 24.218 53 H LEU 10 H LEU 10 16.631 20.375 20.375 54 HA LEU 10 HA LEU 10 16.240 23.300 23.300 55 1HB LEU 10 1HB LEU 10 15.729 20.785 20.785 56 2HB LEU 10 2HB LEU 10 15.626 22.396 22.396 57 HG LEU 10 HG LEU 10 13.923 21.398 21.398 58 1HD1 LEU 10 1HD1 LEU 10 13.338 20.273 20.273 59 2HD1 LEU 10 2HD1 LEU 10 13.111 21.850 21.850 60 3HD1 LEU 10 3HD1 LEU 10 12.043 21.354 21.354 61 1HD2 LEU 10 1HD2 LEU 10 13.707 24.062 24.062 62 2HD2 LEU 10 2HD2 LEU 10 14.164 23.918 23.918 63 3HD2 LEU 10 3HD2 LEU 10 12.533 23.487 23.487 64 H GLU 11 H GLU 11 18.920 20.995 20.995 65 HA GLU 11 HA GLU 11 20.843 22.762 22.762 66 1HB GLU 11 1HB GLU 11 22.164 21.666 21.666 67 2HB GLU 11 2HB GLU 11 20.986 20.540 20.540 68 1HG GLU 11 1HG GLU 11 19.866 20.388 20.388 69 2HG GLU 11 2HG GLU 11 20.728 21.778 21.778 70 HE1 GLU 11 HE2 GLU 11 22.592 18.220 18.220 71 H HIS 12 H HIS 12 19.252 23.067 23.067 72 HA HIS 12 HA HIS 12 20.325 25.928 25.928 73 1HB HIS 12 1HB HIS 12 20.089 23.792 23.792 74 2HB HIS 12 2HB HIS 12 20.333 25.497 25.497 75 HD1 HIS 12 HD1 HIS 12 22.327 22.376 22.376 76 HD2 HIS 12 HD2 HIS 12 22.738 26.571 26.571 77 HE1 HIS 12 HE1 HIS 12 24.703 22.866 22.866 78 HE2 HIS 12 HE2 HIS 12 25.132 25.406 25.406 79 H SER 13 H SER 13 18.232 25.724 25.724 80 HA SER 13 HA SER 13 15.954 25.236 25.236 81 1HB SER 13 1HB SER 13 14.812 26.255 26.255 82 2HB SER 13 2HB SER 13 16.266 25.364 25.364 83 HG SER 13 HG SER 13 16.109 27.500 27.500 84 H ASN 14 H ASN 14 16.864 28.291 28.291 85 HA ASN 14 HA ASN 14 14.792 29.826 29.826 86 1HB ASN 14 1HB ASN 14 17.809 30.464 30.464 87 2HB ASN 14 2HB ASN 14 16.511 31.538 31.538 88 1HD2 ASN 14 2HD2 ASN 14 17.614 32.011 32.011 89 2HD2 ASN 14 1HD2 ASN 14 18.633 31.290 31.290 90 H LEU 15 H LEU 15 17.437 27.739 27.739 91 HA LEU 15 HA LEU 15 17.143 28.606 28.606 92 1HB LEU 15 1HB LEU 15 19.060 26.519 26.519 93 2HB LEU 15 2HB LEU 15 19.101 27.255 27.255 94 HG LEU 15 HG LEU 15 19.192 29.555 29.555 95 1HD1 LEU 15 1HD2 LEU 15 19.299 28.404 28.404 96 2HD1 LEU 15 2HD2 LEU 15 20.850 27.666 27.666 97 3HD1 LEU 15 3HD2 LEU 15 20.691 29.426 29.426 98 1HD2 LEU 15 1HD1 LEU 15 20.803 28.926 28.926 99 2HD2 LEU 15 2HD1 LEU 15 21.671 29.586 29.586 100 3HD2 LEU 15 3HD1 LEU 15 21.663 27.823 27.823 101 H CYS 16 H CYS 16 16.165 25.920 25.920 102 HA CYS 16 HA CYS 16 14.860 24.509 24.509 103 1HB CYS 16 1HB CYS 16 15.302 23.693 23.693 104 2HB CYS 16 2HB CYS 16 14.391 22.736 22.736 105 1HN NH2 17 1H NH2 17 12.082 26.370 26.370 106 2HN NH2 17 2H NH2 17 13.785 26.359 26.359
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