![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
644931 |
6v1n ![]() ![]() |
30690 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 28.031 0.091 37.070 2 H2 ALA 1 HT2 ALA 1 27.758 1.281 38.251 3 H3 ALA 1 HT3 ALA 1 28.769 1.616 36.928 4 HA ALA 1 HA ALA 1 26.283 0.761 35.980 5 HB1 ALA 1 HB1 ALA 1 26.214 3.127 37.955 6 HB2 ALA 1 HB2 ALA 1 25.372 1.547 38.177 7 HB3 ALA 1 HB3 ALA 1 24.859 2.665 36.856 8 H MET 2 HN MET 2 28.588 1.336 34.649 9 HA MET 2 HA MET 2 28.138 4.088 33.657 10 HB2 MET 2 HB2 MET 2 30.639 2.319 33.724 11 HB3 MET 2 HB1 MET 2 30.462 3.673 32.555 12 HG2 MET 2 HG2 MET 2 30.286 3.958 35.618 13 HG3 MET 2 HG1 MET 2 31.765 4.252 34.652 14 HE1 MET 2 HE1 MET 2 30.623 6.172 36.703 15 HE2 MET 2 HE2 MET 2 30.703 7.776 35.894 16 HE3 MET 2 HE3 MET 2 32.049 6.600 35.693 17 H ARG 3 HN ARG 3 27.127 4.183 31.907 18 HA ARG 3 HA ARG 3 27.303 1.971 30.056 19 HB2 ARG 3 HB2 ARG 3 24.991 2.768 30.462 20 HB3 ARG 3 HB1 ARG 3 25.576 4.473 30.325 21 HG2 ARG 3 HG2 ARG 3 26.001 4.265 27.966 22 HG3 ARG 3 HG1 ARG 3 25.746 2.485 27.990 23 HD2 ARG 3 HD2 ARG 3 23.515 4.528 28.662 24 HD3 ARG 3 HD1 ARG 3 23.779 3.813 27.009 25 HE ARG 3 HE ARG 3 23.649 1.677 28.939 26 HH11 ARG 3 HH11 ARG 3 21.672 4.189 27.373 27 HH12 ARG 3 HH12 ARG 3 20.180 3.323 27.510 28 HH21 ARG 3 HH21 ARG 3 21.619 0.491 29.132 29 HH22 ARG 3 HH22 ARG 3 20.148 1.180 28.531 30 H LEU 4 HN LEU 4 27.790 5.266 30.777 31 HA LEU 4 HA LEU 4 28.265 6.458 28.528 32 HB2 LEU 4 HB2 LEU 4 29.836 6.825 31.148 33 HB3 LEU 4 HB1 LEU 4 29.827 8.032 29.810 34 HG LEU 4 HG LEU 4 27.936 7.629 32.012 35 HD11 LEU 4 HD11 LEU 4 27.379 9.934 30.244 36 HD12 LEU 4 HD12 LEU 4 29.144 9.766 30.557 37 HD13 LEU 4 HD13 LEU 4 27.991 9.899 31.939 38 HD21 LEU 4 HD21 LEU 4 26.243 6.600 30.789 39 HD22 LEU 4 HD22 LEU 4 26.782 7.278 29.204 40 HD23 LEU 4 HD23 LEU 4 25.892 8.317 30.374 41 H SER 5 HN SER 5 29.259 5.513 26.890 42 HA SER 5 HA SER 5 31.869 4.268 27.317 43 HB2 SER 5 HB2 SER 5 31.517 3.568 24.795 44 HB3 SER 5 HB1 SER 5 30.512 2.755 26.059 45 HG SER 5 HG SER 5 28.839 3.603 25.209 46 H DPP 6 HN DPP 6 30.637 5.964 24.307 47 HA DPP 6 HA DPP 6 33.235 7.133 23.946 48 HB2 DPP 6 HB2 DPP 6 31.312 6.569 22.057 49 HB3 DPP 6 HB3 DPP 6 32.451 7.940 21.813 50 H PHE 7 HN PHE 7 32.003 7.774 26.565 51 HA PHE 7 HA PHE 7 30.490 9.990 26.194 52 HB2 PHE 7 HB2 PHE 7 31.190 8.740 28.611 53 HB3 PHE 7 HB1 PHE 7 31.375 10.558 28.714 54 HD1 PHE 7 HD1 PHE 7 29.132 7.873 27.819 55 HD2 PHE 7 HD2 PHE 7 29.649 11.993 28.265 56 HE1 PHE 7 HE1 PHE 7 26.748 8.216 27.598 57 HE2 PHE 7 HE2 PHE 7 27.309 12.343 28.014 58 HZ PHE 7 HZ PHE 7 25.926 10.446 27.747 59 H PHE 8 HN PHE 8 30.337 11.688 26.540 60 HA PHE 8 HA PHE 8 30.513 13.636 26.605 61 HB2 PHE 8 HB2 PHE 8 33.325 13.100 27.634 62 HB3 PHE 8 HB1 PHE 8 32.944 14.796 27.048 63 HD1 PHE 8 HD1 PHE 8 32.067 12.163 29.390 64 HD2 PHE 8 HD2 PHE 8 31.132 15.898 27.701 65 HE1 PHE 8 HE1 PHE 8 30.076 12.245 30.755 66 HE2 PHE 8 HE2 PHE 8 29.192 16.078 29.043 67 HZ PHE 8 HZ PHE 8 28.634 14.250 30.622 68 H ARG 9 HN ARG 9 30.505 15.117 25.688 69 HA ARG 9 HA ARG 9 30.135 16.233 24.092 70 HB2 ARG 9 HB2 ARG 9 32.823 15.652 22.814 71 HB3 ARG 9 HB1 ARG 9 31.833 17.138 22.601 72 HG2 ARG 9 HG2 ARG 9 32.865 18.123 24.361 73 HG3 ARG 9 HG1 ARG 9 32.300 16.803 25.457 74 HD2 ARG 9 HD2 ARG 9 34.914 16.851 23.793 75 HD3 ARG 9 HD1 ARG 9 34.736 16.842 25.609 76 HE ARG 9 HE ARG 9 33.287 14.590 24.544 77 HH11 ARG 9 HH11 ARG 9 36.623 15.872 24.876 78 HH12 ARG 9 HH12 ARG 9 37.382 14.317 24.955 79 HH21 ARG 9 HH21 ARG 9 34.341 12.479 24.654 80 HH22 ARG 9 HH22 ARG 9 36.062 12.354 24.827 81 H GLN 10 HN GLN 10 28.801 14.114 23.965 82 HA GLN 10 HA GLN 10 28.551 13.692 21.257 83 HB2 GLN 10 HB2 GLN 10 30.536 12.415 21.384 84 HB3 GLN 10 HB1 GLN 10 30.216 12.095 23.127 85 HG2 GLN 10 HG2 GLN 10 28.540 10.366 22.519 86 HG3 GLN 10 HG1 GLN 10 28.767 10.692 20.764 87 HE21 GLN 10 HE21 GLN 10 29.601 8.282 22.891 88 H PHE 11 HN PHE 11 27.403 13.844 24.322 89 HA PHE 11 HA PHE 11 25.093 12.204 23.664 90 HB2 PHE 11 HB2 PHE 11 26.573 12.528 26.238 91 HB3 PHE 11 HB1 PHE 11 25.118 11.454 25.997 92 HD1 PHE 11 HD1 PHE 11 28.491 12.296 24.974 93 HD2 PHE 11 HD2 PHE 11 25.471 9.333 25.342 94 HE1 PHE 11 HE1 PHE 11 30.085 10.564 24.489 95 HE2 PHE 11 HE2 PHE 11 27.081 7.570 24.895 96 HZ PHE 11 HZ PHE 11 29.422 8.161 24.449 97 H ILE 12 HN ILE 12 26.802 14.422 25.467 98 HA ILE 12 HA ILE 12 24.641 15.540 26.796 99 HB ILE 12 HB ILE 12 27.459 16.467 26.697 100 HG12 ILE 12 HG12 ILE 12 27.658 14.649 28.618 101 HG13 ILE 12 HG11 ILE 12 26.521 13.853 27.529 102 HG21 ILE 12 HG21 ILE 12 27.075 17.015 29.093 103 HG22 ILE 12 HG22 ILE 12 25.487 16.159 29.074 104 HG23 ILE 12 HG23 ILE 12 25.701 17.684 28.135 105 HD11 ILE 12 HD11 ILE 12 29.295 14.765 26.925 106 HD12 ILE 12 HD12 ILE 12 28.143 14.630 25.587 107 HD13 ILE 12 HD13 ILE 12 28.545 13.175 26.586 108 H LEU 13 HN LEU 13 26.828 15.628 24.469 109 HA LEU 13 HA LEU 13 26.581 18.392 23.848 110 HB2 LEU 13 HB2 LEU 13 28.334 16.084 24.335 111 HB3 LEU 13 HB1 LEU 13 28.870 17.182 22.935 112 HG LEU 13 HG LEU 13 29.672 18.780 24.385 113 HD11 LEU 13 HD11 LEU 13 27.507 19.814 24.769 114 HD12 LEU 13 HD12 LEU 13 28.285 19.633 26.387 115 HD13 LEU 13 HD13 LEU 13 26.991 18.484 25.870 116 HD21 LEU 13 HD21 LEU 13 29.446 16.272 25.848 117 HD22 LEU 13 HD22 LEU 13 29.258 17.637 27.008 118 HD23 LEU 13 HD23 LEU 13 30.727 17.528 25.961 119 H GLN 14 HN GLN 14 25.763 15.354 22.922 120 HA GLN 14 HA GLN 14 26.377 15.025 20.309 121 HB2 GLN 14 HB2 GLN 14 23.967 13.999 20.228 122 HB3 GLN 14 HB1 GLN 14 25.163 13.292 21.408 123 HG2 GLN 14 HG2 GLN 14 24.330 14.847 23.196 124 HG3 GLN 14 HG1 GLN 14 23.100 15.501 22.043 125 HE21 GLN 14 HE21 GLN 14 21.311 14.723 23.331 126 HE22 GLN 14 HE22 GLN 14 20.877 13.048 23.366 127 H ARG 15 HN ARG 15 24.023 17.215 21.725 128 HA ARG 15 HA ARG 15 22.764 17.637 19.214 129 HB2 ARG 15 HB2 ARG 15 21.240 19.087 20.430 130 HB3 ARG 15 HB1 ARG 15 21.539 17.605 21.413 131 HG2 ARG 15 HG2 ARG 15 23.373 18.865 22.646 132 HG3 ARG 15 HG1 ARG 15 22.875 20.350 21.771 133 HD2 ARG 15 HD2 ARG 15 20.556 20.174 22.763 134 HD3 ARG 15 HD1 ARG 15 21.082 18.692 23.681 135 HE ARG 15 HE ARG 15 22.936 20.838 24.214 136 HH11 ARG 15 HH11 ARG 15 19.567 19.823 24.765 137 HH12 ARG 15 HH12 ARG 15 19.405 20.639 26.284 138 HH21 ARG 15 HH21 ARG 15 22.717 21.949 26.283 139 HH22 ARG 15 HH22 ARG 15 21.227 21.868 27.161 140 H LYS 16 HN LYS 16 25.449 18.969 20.941 141 HA LYS 16 HA LYS 16 25.129 21.543 19.568 142 HB2 LYS 16 HB2 LYS 16 27.346 20.755 21.534 143 HB3 LYS 16 HB1 LYS 16 26.862 22.420 21.039 144 HG2 LYS 16 HG2 LYS 16 24.609 22.012 22.156 145 HG3 LYS 16 HG1 LYS 16 25.256 20.442 22.748 146 HD2 LYS 16 HD2 LYS 16 25.561 21.947 24.575 147 HD3 LYS 16 HD1 LYS 16 27.187 21.811 23.822 148 HE2 LYS 16 HE2 LYS 16 26.872 23.989 22.654 149 HE3 LYS 16 HE1 LYS 16 25.184 24.113 23.304 150 HZ1 LYS 16 HZ1 LYS 16 27.048 23.621 25.387 151 HZ2 LYS 16 HZ2 LYS 16 25.972 24.916 25.167 152 HZ3 LYS 16 HZ3 LYS 16 27.520 24.974 24.476 153 H LYS 17 HN LYS 17 26.867 18.637 20.031 154 HA LYS 17 HA LYS 17 28.876 19.362 18.033 155 HB2 LYS 17 HB2 LYS 17 28.383 16.867 19.740 156 HB3 LYS 17 HB1 LYS 17 29.670 16.934 18.479 157 HG2 LYS 17 HG2 LYS 17 29.459 18.866 20.869 158 HG3 LYS 17 HG1 LYS 17 30.476 17.386 20.844 159 HD2 LYS 17 HD2 LYS 17 31.713 18.307 18.842 160 HD3 LYS 17 HD1 LYS 17 30.729 19.808 18.952 161 HE2 LYS 17 HE2 LYS 17 31.643 20.247 21.252 162 HE3 LYS 17 HE1 LYS 17 32.633 18.732 21.142 163 HZ1 LYS 17 HZ1 LYS 17 34.146 20.056 20.283 164 HZ2 LYS 17 HZ2 LYS 17 33.057 21.321 19.973 165 HZ3 LYS 17 HZ3 LYS 17 33.226 20.052 18.856 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 28.580 -0.185 36.403 2 H2 ALA 1 HT2 ALA 1 27.676 0.117 34.997 3 H3 ALA 1 HT3 ALA 1 26.926 -0.566 36.360 4 HA ALA 1 HA ALA 1 26.302 1.454 36.884 5 HB1 ALA 1 HB1 ALA 1 29.326 1.831 37.352 6 HB2 ALA 1 HB2 ALA 1 28.166 1.109 38.529 7 HB3 ALA 1 HB3 ALA 1 28.029 2.853 38.085 8 H MET 2 HN MET 2 29.285 1.716 34.834 9 HA MET 2 HA MET 2 28.125 4.191 33.718 10 HB2 MET 2 HB2 MET 2 30.928 3.007 33.340 11 HB3 MET 2 HB1 MET 2 30.331 4.569 32.684 12 HG2 MET 2 HG2 MET 2 30.654 3.873 35.670 13 HG3 MET 2 HG1 MET 2 31.788 4.867 34.699 14 HE1 MET 2 HE1 MET 2 30.477 5.569 37.464 15 HE2 MET 2 HE2 MET 2 30.126 7.319 37.255 16 HE3 MET 2 HE3 MET 2 31.651 6.625 36.605 17 H ARG 3 HN ARG 3 27.079 4.039 31.990 18 HA ARG 3 HA ARG 3 27.524 1.797 30.255 19 HB2 ARG 3 HB2 ARG 3 25.160 2.433 30.664 20 HB3 ARG 3 HB1 ARG 3 25.596 4.159 30.361 21 HG2 ARG 3 HG2 ARG 3 25.981 3.778 28.022 22 HG3 ARG 3 HG1 ARG 3 25.872 1.990 28.209 23 HD2 ARG 3 HD2 ARG 3 23.504 3.899 28.801 24 HD3 ARG 3 HD1 ARG 3 23.766 3.066 27.204 25 HE ARG 3 HE ARG 3 23.896 1.072 29.250 26 HH11 ARG 3 HH11 ARG 3 21.614 3.407 27.827 27 HH12 ARG 3 HH12 ARG 3 20.203 2.451 28.132 28 HH21 ARG 3 HH21 ARG 3 21.978 -0.232 29.665 29 HH22 ARG 3 HH22 ARG 3 20.414 0.345 29.194 30 H LEU 4 HN LEU 4 27.632 5.174 30.696 31 HA LEU 4 HA LEU 4 28.039 6.311 28.443 32 HB2 LEU 4 HB2 LEU 4 29.640 6.818 31.022 33 HB3 LEU 4 HB1 LEU 4 29.548 7.991 29.664 34 HG LEU 4 HG LEU 4 27.668 7.467 31.872 35 HD11 LEU 4 HD11 LEU 4 27.747 9.732 31.901 36 HD12 LEU 4 HD12 LEU 4 27.021 9.824 30.253 37 HD13 LEU 4 HD13 LEU 4 28.808 9.695 30.442 38 HD21 LEU 4 HD21 LEU 4 26.581 7.186 29.033 39 HD22 LEU 4 HD22 LEU 4 25.641 8.163 30.216 40 HD23 LEU 4 HD23 LEU 4 26.028 6.440 30.583 41 H SER 5 HN SER 5 29.052 5.350 26.798 42 HA SER 5 HA SER 5 31.714 4.237 27.192 43 HB2 SER 5 HB2 SER 5 29.987 2.904 25.893 44 HB3 SER 5 HB1 SER 5 29.996 4.204 24.639 45 HG SER 5 HG SER 5 32.038 2.415 25.413 46 H DPP 6 HN DPP 6 30.499 5.991 24.189 47 HA DPP 6 HA DPP 6 33.086 7.198 23.918 48 HB2 DPP 6 HB2 DPP 6 31.206 6.666 21.971 49 HB3 DPP 6 HB3 DPP 6 32.351 8.042 21.785 50 H PHE 7 HN PHE 7 31.758 7.753 26.516 51 HA PHE 7 HA PHE 7 30.251 9.977 26.162 52 HB2 PHE 7 HB2 PHE 7 30.892 8.656 28.555 53 HB3 PHE 7 HB1 PHE 7 31.061 10.470 28.720 54 HD1 PHE 7 HD1 PHE 7 28.837 7.795 27.702 55 HD2 PHE 7 HD2 PHE 7 29.350 11.912 28.253 56 HE1 PHE 7 HE1 PHE 7 26.460 8.152 27.433 57 HE2 PHE 7 HE2 PHE 7 27.015 12.267 27.951 58 HZ PHE 7 HZ PHE 7 25.641 10.377 27.611 59 H PHE 8 HN PHE 8 30.083 11.662 26.549 60 HA PHE 8 HA PHE 8 30.252 13.607 26.679 61 HB2 PHE 8 HB2 PHE 8 33.029 13.046 27.783 62 HB3 PHE 8 HB1 PHE 8 32.668 14.757 27.231 63 HD1 PHE 8 HD1 PHE 8 31.723 12.065 29.472 64 HD2 PHE 8 HD2 PHE 8 30.829 15.839 27.850 65 HE1 PHE 8 HE1 PHE 8 29.696 12.111 30.780 66 HE2 PHE 8 HE2 PHE 8 28.848 15.981 29.139 67 HZ PHE 8 HZ PHE 8 28.251 14.113 30.655 68 H ARG 9 HN ARG 9 30.268 15.114 25.807 69 HA ARG 9 HA ARG 9 29.947 16.277 24.234 70 HB2 ARG 9 HB2 ARG 9 32.682 15.741 23.039 71 HB3 ARG 9 HB1 ARG 9 31.697 17.228 22.829 72 HG2 ARG 9 HG2 ARG 9 32.658 18.166 24.654 73 HG3 ARG 9 HG1 ARG 9 32.053 16.817 25.689 74 HD2 ARG 9 HD2 ARG 9 34.733 16.913 24.135 75 HD3 ARG 9 HD1 ARG 9 34.480 16.854 25.943 76 HE ARG 9 HE ARG 9 33.085 14.629 24.742 77 HH11 ARG 9 HH11 ARG 9 36.389 15.907 25.323 78 HH12 ARG 9 HH12 ARG 9 37.148 14.353 25.393 79 HH21 ARG 9 HH21 ARG 9 34.141 12.519 24.840 80 HH22 ARG 9 HH22 ARG 9 35.847 12.391 25.114 81 H GLN 10 HN GLN 10 28.623 14.160 24.000 82 HA GLN 10 HA GLN 10 28.466 13.814 21.274 83 HB2 GLN 10 HB2 GLN 10 30.451 12.538 21.429 84 HB3 GLN 10 HB1 GLN 10 30.075 12.167 23.152 85 HG2 GLN 10 HG2 GLN 10 28.424 10.455 22.439 86 HG3 GLN 10 HG1 GLN 10 28.710 10.831 20.702 87 HE21 GLN 10 HE21 GLN 10 29.473 8.362 22.790 88 H PHE 11 HN PHE 11 27.219 13.868 24.306 89 HA PHE 11 HA PHE 11 24.941 12.235 23.524 90 HB2 PHE 11 HB2 PHE 11 26.331 12.501 26.157 91 HB3 PHE 11 HB1 PHE 11 24.891 11.426 25.841 92 HD1 PHE 11 HD1 PHE 11 28.290 12.310 24.936 93 HD2 PHE 11 HD2 PHE 11 25.282 9.320 25.171 94 HE1 PHE 11 HE1 PHE 11 29.906 10.599 24.454 95 HE2 PHE 11 HE2 PHE 11 26.915 7.578 24.730 96 HZ PHE 11 HZ PHE 11 29.260 8.192 24.349 97 H ILE 12 HN ILE 12 26.575 14.407 25.448 98 HA ILE 12 HA ILE 12 24.366 15.481 26.731 99 HB ILE 12 HB ILE 12 27.181 16.425 26.752 100 HG12 ILE 12 HG12 ILE 12 27.332 14.553 28.623 101 HG13 ILE 12 HG11 ILE 12 26.232 13.782 27.478 102 HG21 ILE 12 HG21 ILE 12 25.167 16.015 29.077 103 HG22 ILE 12 HG22 ILE 12 25.325 17.564 28.164 104 HG23 ILE 12 HG23 ILE 12 26.716 16.938 29.128 105 HD11 ILE 12 HD11 ILE 12 29.019 14.722 26.988 106 HD12 ILE 12 HD12 ILE 12 27.909 14.626 25.611 107 HD13 ILE 12 HD13 ILE 12 28.286 13.142 26.577 108 H LEU 13 HN LEU 13 26.634 15.649 24.484 109 HA LEU 13 HA LEU 13 26.391 18.431 23.942 110 HB2 LEU 13 HB2 LEU 13 28.143 16.120 24.421 111 HB3 LEU 13 HB1 LEU 13 28.720 17.262 23.076 112 HG LEU 13 HG LEU 13 29.459 18.821 24.599 113 HD11 LEU 13 HD11 LEU 13 27.275 19.829 24.944 114 HD12 LEU 13 HD12 LEU 13 27.999 19.597 26.581 115 HD13 LEU 13 HD13 LEU 13 26.731 18.460 25.982 116 HD21 LEU 13 HD21 LEU 13 29.210 16.264 25.965 117 HD22 LEU 13 HD22 LEU 13 28.962 17.585 27.166 118 HD23 LEU 13 HD23 LEU 13 30.469 17.530 26.170 119 H GLN 14 HN GLN 14 25.680 15.393 22.887 120 HA GLN 14 HA GLN 14 26.386 15.092 20.315 121 HB2 GLN 14 HB2 GLN 14 23.943 14.137 20.102 122 HB3 GLN 14 HB1 GLN 14 25.075 13.381 21.312 123 HG2 GLN 14 HG2 GLN 14 24.210 14.911 23.099 124 HG3 GLN 14 HG1 GLN 14 23.055 15.638 21.917 125 HE21 GLN 14 HE21 GLN 14 21.167 14.892 23.050 126 HE22 GLN 14 HE22 GLN 14 20.686 13.230 23.043 127 H ARG 15 HN ARG 15 23.987 17.308 21.585 128 HA ARG 15 HA ARG 15 22.746 17.727 19.108 129 HB2 ARG 15 HB2 ARG 15 21.460 19.444 20.278 130 HB3 ARG 15 HB1 ARG 15 21.632 17.988 21.328 131 HG2 ARG 15 HG2 ARG 15 23.612 19.067 22.461 132 HG3 ARG 15 HG1 ARG 15 23.338 20.547 21.480 133 HD2 ARG 15 HD2 ARG 15 21.032 20.799 22.492 134 HD3 ARG 15 HD1 ARG 15 21.344 19.328 23.517 135 HE ARG 15 HE ARG 15 23.515 21.180 23.885 136 HH11 ARG 15 HH11 ARG 15 20.027 20.800 24.492 137 HH12 ARG 15 HH12 ARG 15 20.013 21.767 25.927 138 HH21 ARG 15 HH21 ARG 15 23.498 22.498 25.840 139 HH22 ARG 15 HH22 ARG 15 22.019 22.750 26.706 140 H LYS 16 HN LYS 16 25.599 19.042 20.632 141 HA LYS 16 HA LYS 16 25.468 21.323 18.808 142 HB2 LYS 16 HB2 LYS 16 25.606 22.186 21.066 143 HB3 LYS 16 HB1 LYS 16 26.779 20.904 21.538 144 HG2 LYS 16 HG2 LYS 16 28.502 21.893 20.100 145 HG3 LYS 16 HG1 LYS 16 27.347 23.127 19.491 146 HD2 LYS 16 HD2 LYS 16 27.187 24.172 21.694 147 HD3 LYS 16 HD1 LYS 16 28.092 22.824 22.463 148 HE2 LYS 16 HE2 LYS 16 29.570 24.809 22.178 149 HE3 LYS 16 HE1 LYS 16 30.142 23.463 21.106 150 HZ1 LYS 16 HZ1 LYS 16 28.197 25.304 19.964 151 HZ2 LYS 16 HZ2 LYS 16 29.578 24.587 19.285 152 HZ3 LYS 16 HZ3 LYS 16 29.734 25.944 20.295 153 H LYS 17 HN LYS 17 27.356 18.816 20.345 154 HA LYS 17 HA LYS 17 29.473 19.179 18.356 155 HB2 LYS 17 HB2 LYS 17 29.173 17.652 20.974 156 HB3 LYS 17 HB1 LYS 17 30.477 17.193 19.818 157 HG2 LYS 17 HG2 LYS 17 30.083 20.040 20.931 158 HG3 LYS 17 HG1 LYS 17 31.172 18.818 21.669 159 HD2 LYS 17 HD2 LYS 17 32.439 18.671 19.489 160 HD3 LYS 17 HD1 LYS 17 31.375 19.952 18.809 161 HE2 LYS 17 HE2 LYS 17 32.172 21.557 20.574 162 HE3 LYS 17 HE1 LYS 17 33.244 20.264 21.256 163 HZ1 LYS 17 HZ1 LYS 17 33.798 20.324 18.576 164 HZ2 LYS 17 HZ2 LYS 17 34.730 20.982 19.834 165 HZ3 LYS 17 HZ3 LYS 17 33.621 21.959 18.998 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 27.510 1.801 38.536 2 H2 ALA 1 HT2 ALA 1 28.457 1.654 37.134 3 H3 ALA 1 HT3 ALA 1 26.914 0.945 37.196 4 HA ALA 1 HA ALA 1 25.868 2.801 36.696 5 HB1 ALA 1 HB1 ALA 1 26.423 3.777 38.962 6 HB2 ALA 1 HB2 ALA 1 26.449 5.038 37.672 7 HB3 ALA 1 HB3 ALA 1 27.998 4.354 38.296 8 H MET 2 HN MET 2 27.811 1.574 34.989 9 HA MET 2 HA MET 2 28.675 3.976 33.532 10 HB2 MET 2 HB2 MET 2 30.238 1.330 33.733 11 HB3 MET 2 HB1 MET 2 30.645 2.711 32.653 12 HG2 MET 2 HG2 MET 2 30.629 2.758 35.734 13 HG3 MET 2 HG1 MET 2 32.082 2.641 34.692 14 HE1 MET 2 HE1 MET 2 32.844 4.053 33.115 15 HE2 MET 2 HE2 MET 2 32.769 5.849 33.121 16 HE3 MET 2 HE3 MET 2 31.518 4.902 32.245 17 H ARG 3 HN ARG 3 29.057 3.519 31.263 18 HA ARG 3 HA ARG 3 28.119 1.376 29.898 19 HB2 ARG 3 HB2 ARG 3 25.813 1.763 30.717 20 HB3 ARG 3 HB1 ARG 3 26.069 3.548 30.567 21 HG2 ARG 3 HG2 ARG 3 26.088 3.464 28.179 22 HG3 ARG 3 HG1 ARG 3 26.148 1.668 28.154 23 HD2 ARG 3 HD2 ARG 3 23.770 3.268 29.333 24 HD3 ARG 3 HD1 ARG 3 23.828 2.643 27.624 25 HE ARG 3 HE ARG 3 24.441 0.460 29.371 26 HH11 ARG 3 HH11 ARG 3 21.790 2.706 28.596 27 HH12 ARG 3 HH12 ARG 3 20.523 1.596 28.997 28 HH21 ARG 3 HH21 ARG 3 22.721 -1.052 29.918 29 HH22 ARG 3 HH22 ARG 3 21.062 -0.579 29.763 30 H LEU 4 HN LEU 4 28.149 4.703 30.615 31 HA LEU 4 HA LEU 4 28.019 5.981 28.325 32 HB2 LEU 4 HB2 LEU 4 29.728 6.567 30.807 33 HB3 LEU 4 HB1 LEU 4 29.565 7.743 29.462 34 HG LEU 4 HG LEU 4 27.753 7.157 31.697 35 HD11 LEU 4 HD11 LEU 4 26.944 9.442 30.048 36 HD12 LEU 4 HD12 LEU 4 28.737 9.418 30.207 37 HD13 LEU 4 HD13 LEU 4 27.702 9.423 31.683 38 HD21 LEU 4 HD21 LEU 4 26.260 5.925 30.326 39 HD22 LEU 4 HD22 LEU 4 26.573 6.938 28.863 40 HD23 LEU 4 HD23 LEU 4 25.613 7.605 30.234 41 H SER 5 HN SER 5 28.958 5.011 26.588 42 HA SER 5 HA SER 5 31.906 4.897 26.556 43 HB2 SER 5 HB2 SER 5 31.713 3.306 24.625 44 HB3 SER 5 HB1 SER 5 30.819 2.658 26.055 45 HG SER 5 HG SER 5 29.474 4.322 24.241 46 H DPP 6 HN DPP 6 33.025 6.052 24.889 47 HA DPP 6 HA DPP 6 33.340 7.654 23.379 48 HB2 DPP 6 HB2 DPP 6 30.955 6.514 22.163 49 HB3 DPP 6 HB3 DPP 6 32.061 7.714 21.402 50 H PHE 7 HN PHE 7 31.888 7.704 26.227 51 HA PHE 7 HA PHE 7 30.259 9.857 25.990 52 HB2 PHE 7 HB2 PHE 7 30.898 8.420 28.307 53 HB3 PHE 7 HB1 PHE 7 31.034 10.224 28.593 54 HD1 PHE 7 HD1 PHE 7 28.834 7.558 27.503 55 HD2 PHE 7 HD2 PHE 7 29.308 11.682 28.114 56 HE1 PHE 7 HE1 PHE 7 26.455 7.896 27.268 57 HE2 PHE 7 HE2 PHE 7 26.967 12.015 27.840 58 HZ PHE 7 HZ PHE 7 25.614 10.110 27.489 59 H PHE 8 HN PHE 8 30.027 11.536 26.429 60 HA PHE 8 HA PHE 8 30.153 13.476 26.684 61 HB2 PHE 8 HB2 PHE 8 32.938 12.920 27.775 62 HB3 PHE 8 HB1 PHE 8 32.545 14.648 27.301 63 HD1 PHE 8 HD1 PHE 8 31.636 11.830 29.399 64 HD2 PHE 8 HD2 PHE 8 30.697 15.669 27.966 65 HE1 PHE 8 HE1 PHE 8 29.600 11.781 30.691 66 HE2 PHE 8 HE2 PHE 8 28.705 15.715 29.242 67 HZ PHE 8 HZ PHE 8 28.127 13.762 30.655 68 H ARG 9 HN ARG 9 30.140 15.018 25.864 69 HA ARG 9 HA ARG 9 29.814 16.230 24.334 70 HB2 ARG 9 HB2 ARG 9 32.564 15.785 23.134 71 HB3 ARG 9 HB1 ARG 9 31.552 17.262 22.968 72 HG2 ARG 9 HG2 ARG 9 32.479 18.154 24.833 73 HG3 ARG 9 HG1 ARG 9 31.906 16.753 25.816 74 HD2 ARG 9 HD2 ARG 9 34.579 16.957 24.261 75 HD3 ARG 9 HD1 ARG 9 34.337 16.857 26.067 76 HE ARG 9 HE ARG 9 32.989 14.626 24.811 77 HH11 ARG 9 HH11 ARG 9 36.254 15.964 25.468 78 HH12 ARG 9 HH12 ARG 9 37.047 14.427 25.526 79 HH21 ARG 9 HH21 ARG 9 34.089 12.538 24.894 80 HH22 ARG 9 HH22 ARG 9 35.794 12.441 25.193 81 H GLN 10 HN GLN 10 28.556 14.070 24.032 82 HA GLN 10 HA GLN 10 28.422 13.819 21.292 83 HB2 GLN 10 HB2 GLN 10 30.420 12.551 21.428 84 HB3 GLN 10 HB1 GLN 10 30.029 12.132 23.137 85 HG2 GLN 10 HG2 GLN 10 28.390 10.425 22.357 86 HG3 GLN 10 HG1 GLN 10 28.694 10.849 20.637 87 HE21 GLN 10 HE21 GLN 10 29.419 8.356 22.722 88 H PHE 11 HN PHE 11 27.128 13.794 24.293 89 HA PHE 11 HA PHE 11 24.873 12.162 23.446 90 HB2 PHE 11 HB2 PHE 11 26.221 12.356 26.110 91 HB3 PHE 11 HB1 PHE 11 24.807 11.267 25.728 92 HD1 PHE 11 HD1 PHE 11 28.201 12.256 24.911 93 HD2 PHE 11 HD2 PHE 11 25.265 9.187 25.010 94 HE1 PHE 11 HE1 PHE 11 29.858 10.614 24.397 95 HE2 PHE 11 HE2 PHE 11 26.958 7.511 24.539 96 HZ PHE 11 HZ PHE 11 29.277 8.226 24.220 97 H ILE 12 HN ILE 12 26.471 14.260 25.478 98 HA ILE 12 HA ILE 12 24.243 15.261 26.779 99 HB ILE 12 HB ILE 12 27.043 16.243 26.861 100 HG12 ILE 12 HG12 ILE 12 27.209 14.306 28.661 101 HG13 ILE 12 HG11 ILE 12 26.132 13.557 27.482 102 HG21 ILE 12 HG21 ILE 12 26.551 16.638 29.260 103 HG22 ILE 12 HG22 ILE 12 25.001 15.721 29.141 104 HG23 ILE 12 HG23 ILE 12 25.176 17.309 28.302 105 HD11 ILE 12 HD11 ILE 12 28.901 14.577 27.038 106 HD12 ILE 12 HD12 ILE 12 27.800 14.483 25.654 107 HD13 ILE 12 HD13 ILE 12 28.211 12.989 26.588 108 H LEU 13 HN LEU 13 26.526 15.546 24.559 109 HA LEU 13 HA LEU 13 26.236 18.344 24.124 110 HB2 LEU 13 HB2 LEU 13 28.026 16.052 24.527 111 HB3 LEU 13 HB1 LEU 13 28.594 17.261 23.237 112 HG LEU 13 HG LEU 13 29.285 18.769 24.831 113 HD11 LEU 13 HD11 LEU 13 27.807 19.426 26.836 114 HD12 LEU 13 HD12 LEU 13 26.568 18.282 26.193 115 HD13 LEU 13 HD13 LEU 13 27.072 19.704 25.211 116 HD21 LEU 13 HD21 LEU 13 29.094 16.143 26.068 117 HD22 LEU 13 HD22 LEU 13 28.811 17.397 27.333 118 HD23 LEU 13 HD23 LEU 13 30.322 17.427 26.342 119 H GLN 14 HN GLN 14 25.620 15.321 22.942 120 HA GLN 14 HA GLN 14 26.377 15.085 20.394 121 HB2 GLN 14 HB2 GLN 14 23.927 14.169 20.079 122 HB3 GLN 14 HB1 GLN 14 25.020 13.368 21.297 123 HG2 GLN 14 HG2 GLN 14 24.123 14.863 23.104 124 HG3 GLN 14 HG1 GLN 14 23.001 15.627 21.909 125 HE21 GLN 14 HE21 GLN 14 21.086 14.865 22.988 126 HE22 GLN 14 HE22 GLN 14 20.594 13.207 22.925 127 H ARG 15 HN ARG 15 23.921 17.272 21.608 128 HA ARG 15 HA ARG 15 22.777 17.770 19.105 129 HB2 ARG 15 HB2 ARG 15 21.479 19.476 20.287 130 HB3 ARG 15 HB1 ARG 15 21.609 17.992 21.304 131 HG2 ARG 15 HG2 ARG 15 23.667 19.064 22.422 132 HG3 ARG 15 HG1 ARG 15 23.232 20.587 21.576 133 HD2 ARG 15 HD2 ARG 15 21.347 19.065 23.511 134 HD3 ARG 15 HD1 ARG 15 22.323 20.536 23.937 135 HE ARG 15 HE ARG 15 19.906 20.448 22.202 136 HH11 ARG 15 HH11 ARG 15 22.773 22.231 23.353 137 HH12 ARG 15 HH12 ARG 15 22.157 23.794 22.934 138 HH21 ARG 15 HH21 ARG 15 19.074 22.573 21.636 139 HH22 ARG 15 HH22 ARG 15 20.019 23.991 21.942 140 H LYS 16 HN LYS 16 25.609 18.959 20.699 141 HA LYS 16 HA LYS 16 25.619 21.288 18.947 142 HB2 LYS 16 HB2 LYS 16 25.593 22.054 21.277 143 HB3 LYS 16 HB1 LYS 16 26.826 20.821 21.727 144 HG2 LYS 16 HG2 LYS 16 28.506 21.951 20.323 145 HG3 LYS 16 HG1 LYS 16 27.291 23.155 19.778 146 HD2 LYS 16 HD2 LYS 16 27.025 23.952 22.139 147 HD3 LYS 16 HD1 LYS 16 28.230 22.737 22.687 148 HE2 LYS 16 HE2 LYS 16 28.825 24.997 20.659 149 HE3 LYS 16 HE1 LYS 16 29.221 25.052 22.427 150 HZ1 LYS 16 HZ1 LYS 16 30.904 23.648 22.156 151 HZ2 LYS 16 HZ2 LYS 16 30.853 24.155 20.536 152 HZ3 LYS 16 HZ3 LYS 16 30.121 22.691 20.991 153 H LYS 17 HN LYS 17 27.524 18.916 20.741 154 HA LYS 17 HA LYS 17 29.506 17.974 20.308 155 HB2 LYS 17 HB2 LYS 17 27.789 17.632 17.975 156 HB3 LYS 17 HB1 LYS 17 29.504 17.712 17.434 157 HG2 LYS 17 HG2 LYS 17 30.096 15.917 19.089 158 HG3 LYS 17 HG1 LYS 17 28.372 15.832 19.594 159 HD2 LYS 17 HD2 LYS 17 27.723 15.182 17.264 160 HD3 LYS 17 HD1 LYS 17 29.445 15.274 16.757 161 HE2 LYS 17 HE2 LYS 17 30.026 13.433 18.365 162 HE3 LYS 17 HE1 LYS 17 28.291 13.345 18.886 163 HZ1 LYS 17 HZ1 LYS 17 27.839 13.007 16.420 164 HZ2 LYS 17 HZ2 LYS 17 28.524 11.724 17.295 165 HZ3 LYS 17 HZ3 LYS 17 29.496 12.669 16.272 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 28.260 2.650 37.978 2 H2 ALA 1 HT2 ALA 1 27.447 1.310 37.322 3 H3 ALA 1 HT3 ALA 1 26.798 2.124 38.664 4 HA ALA 1 HA ALA 1 25.709 2.605 36.510 5 HB1 ALA 1 HB1 ALA 1 25.471 4.139 38.473 6 HB2 ALA 1 HB2 ALA 1 25.594 5.100 36.950 7 HB3 ALA 1 HB3 ALA 1 27.028 4.939 38.034 8 H MET 2 HN MET 2 27.279 1.684 34.820 9 HA MET 2 HA MET 2 28.529 3.981 33.495 10 HB2 MET 2 HB2 MET 2 29.765 1.169 33.696 11 HB3 MET 2 HB1 MET 2 30.370 2.512 32.658 12 HG2 MET 2 HG2 MET 2 30.825 3.887 34.687 13 HG3 MET 2 HG1 MET 2 30.201 2.574 35.733 14 HE1 MET 2 HE1 MET 2 32.301 2.544 37.202 15 HE2 MET 2 HE2 MET 2 32.800 3.972 36.229 16 HE3 MET 2 HE3 MET 2 33.976 2.652 36.554 17 H ARG 3 HN ARG 3 28.941 3.535 31.232 18 HA ARG 3 HA ARG 3 27.828 1.543 29.775 19 HB2 ARG 3 HB2 ARG 3 25.540 2.159 30.479 20 HB3 ARG 3 HB1 ARG 3 26.001 3.908 30.428 21 HG2 ARG 3 HG2 ARG 3 26.191 3.883 28.017 22 HG3 ARG 3 HG1 ARG 3 25.938 2.104 27.949 23 HD2 ARG 3 HD2 ARG 3 23.817 4.057 29.083 24 HD3 ARG 3 HD1 ARG 3 23.855 3.518 27.348 25 HE ARG 3 HE ARG 3 23.097 1.877 29.697 26 HH11 ARG 3 HH11 ARG 3 24.197 1.970 26.305 27 HH12 ARG 3 HH12 ARG 3 23.601 0.392 25.910 28 HH21 ARG 3 HH21 ARG 3 22.291 -0.266 29.155 29 HH22 ARG 3 HH22 ARG 3 22.501 -0.898 27.557 30 H LEU 4 HN LEU 4 28.198 4.836 30.580 31 HA LEU 4 HA LEU 4 28.346 6.100 28.273 32 HB2 LEU 4 HB2 LEU 4 29.988 6.596 30.827 33 HB3 LEU 4 HB1 LEU 4 29.838 7.793 29.498 34 HG LEU 4 HG LEU 4 28.009 7.167 31.725 35 HD11 LEU 4 HD11 LEU 4 27.286 9.556 30.188 36 HD12 LEU 4 HD12 LEU 4 29.078 9.460 30.339 37 HD13 LEU 4 HD13 LEU 4 28.046 9.432 31.818 38 HD21 LEU 4 HD21 LEU 4 25.943 7.870 30.116 39 HD22 LEU 4 HD22 LEU 4 26.367 6.147 30.432 40 HD23 LEU 4 HD23 LEU 4 26.887 6.938 28.897 41 H SER 5 HN SER 5 29.343 5.190 26.591 42 HA SER 5 HA SER 5 32.039 4.136 26.897 43 HB2 SER 5 HB2 SER 5 30.115 4.084 24.498 44 HB3 SER 5 HB1 SER 5 31.770 3.350 24.494 45 HG SER 5 HG SER 5 29.866 2.742 26.497 46 H DPP 6 HN DPP 6 30.697 5.952 23.985 47 HA DPP 6 HA DPP 6 33.267 7.200 23.668 48 HB2 DPP 6 HB2 DPP 6 31.357 6.667 21.750 49 HB3 DPP 6 HB3 DPP 6 32.469 8.070 21.569 50 H PHE 7 HN PHE 7 31.979 7.672 26.302 51 HA PHE 7 HA PHE 7 30.425 9.870 26.029 52 HB2 PHE 7 HB2 PHE 7 31.143 8.511 28.379 53 HB3 PHE 7 HB1 PHE 7 31.273 10.324 28.580 54 HD1 PHE 7 HD1 PHE 7 29.090 7.621 27.544 55 HD2 PHE 7 HD2 PHE 7 29.520 11.736 28.180 56 HE1 PHE 7 HE1 PHE 7 26.702 7.930 27.326 57 HE2 PHE 7 HE2 PHE 7 27.174 12.043 27.929 58 HZ PHE 7 HZ PHE 7 25.837 10.129 27.571 59 H PHE 8 HN PHE 8 30.227 11.540 26.461 60 HA PHE 8 HA PHE 8 30.354 13.486 26.629 61 HB2 PHE 8 HB2 PHE 8 33.164 12.964 27.668 62 HB3 PHE 8 HB1 PHE 8 32.753 14.679 27.161 63 HD1 PHE 8 HD1 PHE 8 31.913 11.916 29.358 64 HD2 PHE 8 HD2 PHE 8 30.903 15.704 27.840 65 HE1 PHE 8 HE1 PHE 8 29.908 11.887 30.704 66 HE2 PHE 8 HE2 PHE 8 28.943 15.770 29.167 67 HZ PHE 8 HZ PHE 8 28.417 13.856 30.650 68 H ARG 9 HN ARG 9 30.319 15.009 25.787 69 HA ARG 9 HA ARG 9 29.944 16.196 24.249 70 HB2 ARG 9 HB2 ARG 9 32.661 15.751 22.981 71 HB3 ARG 9 HB1 ARG 9 31.637 17.220 22.829 72 HG2 ARG 9 HG2 ARG 9 32.620 18.137 24.653 73 HG3 ARG 9 HG1 ARG 9 32.070 16.752 25.670 74 HD2 ARG 9 HD2 ARG 9 34.708 16.941 24.054 75 HD3 ARG 9 HD1 ARG 9 34.502 16.840 25.866 76 HE ARG 9 HE ARG 9 33.124 14.611 24.653 77 HH11 ARG 9 HH11 ARG 9 36.414 15.947 25.180 78 HH12 ARG 9 HH12 ARG 9 37.206 14.407 25.204 79 HH21 ARG 9 HH21 ARG 9 34.224 12.521 24.687 80 HH22 ARG 9 HH22 ARG 9 35.938 12.424 24.919 81 H GLN 10 HN GLN 10 28.663 14.054 23.991 82 HA GLN 10 HA GLN 10 28.459 13.773 21.261 83 HB2 GLN 10 HB2 GLN 10 30.471 12.535 21.346 84 HB3 GLN 10 HB1 GLN 10 30.140 12.118 23.067 85 HG2 GLN 10 HG2 GLN 10 28.509 10.385 22.349 86 HG3 GLN 10 HG1 GLN 10 28.754 10.804 20.616 87 HE21 GLN 10 HE21 GLN 10 29.607 8.309 22.635 88 H PHE 11 HN PHE 11 27.272 13.722 24.316 89 HA PHE 11 HA PHE 11 25.018 12.056 23.539 90 HB2 PHE 11 HB2 PHE 11 26.451 12.304 26.151 91 HB3 PHE 11 HB1 PHE 11 25.028 11.203 25.841 92 HD1 PHE 11 HD1 PHE 11 28.388 12.184 24.889 93 HD2 PHE 11 HD2 PHE 11 25.454 9.120 25.118 94 HE1 PHE 11 HE1 PHE 11 30.033 10.520 24.340 95 HE2 PHE 11 HE2 PHE 11 27.117 7.426 24.608 96 HZ PHE 11 HZ PHE 11 29.439 8.102 24.195 97 H ILE 12 HN ILE 12 26.634 14.222 25.480 98 HA ILE 12 HA ILE 12 24.427 15.223 26.821 99 HB ILE 12 HB ILE 12 27.221 16.227 26.817 100 HG12 ILE 12 HG12 ILE 12 27.448 14.321 28.644 101 HG13 ILE 12 HG11 ILE 12 26.346 13.549 27.501 102 HG21 ILE 12 HG21 ILE 12 26.778 16.609 29.248 103 HG22 ILE 12 HG22 ILE 12 25.197 15.748 29.125 104 HG23 ILE 12 HG23 ILE 12 25.430 17.330 28.289 105 HD11 ILE 12 HD11 ILE 12 27.968 14.468 25.624 106 HD12 ILE 12 HD12 ILE 12 28.398 12.977 26.550 107 HD13 ILE 12 HD13 ILE 12 29.101 14.566 26.987 108 H LEU 13 HN LEU 13 26.664 15.493 24.549 109 HA LEU 13 HA LEU 13 26.346 18.282 24.075 110 HB2 LEU 13 HB2 LEU 13 28.158 16.005 24.482 111 HB3 LEU 13 HB1 LEU 13 28.693 17.193 23.159 112 HG LEU 13 HG LEU 13 29.400 18.740 24.708 113 HD11 LEU 13 HD11 LEU 13 27.193 19.665 25.127 114 HD12 LEU 13 HD12 LEU 13 27.957 19.407 26.742 115 HD13 LEU 13 HD13 LEU 13 26.715 18.248 26.132 116 HD21 LEU 13 HD21 LEU 13 29.008 17.415 27.246 117 HD22 LEU 13 HD22 LEU 13 30.489 17.431 26.210 118 HD23 LEU 13 HD23 LEU 13 29.260 16.135 26.003 119 H GLN 14 HN GLN 14 25.659 15.275 22.957 120 HA GLN 14 HA GLN 14 26.383 15.023 20.382 121 HB2 GLN 14 HB2 GLN 14 23.935 14.069 20.151 122 HB3 GLN 14 HB1 GLN 14 25.082 13.288 21.334 123 HG2 GLN 14 HG2 GLN 14 24.224 14.723 23.177 124 HG3 GLN 14 HG1 GLN 14 23.109 15.558 22.035 125 HE21 GLN 14 HE21 GLN 14 23.838 12.034 21.811 126 HE22 GLN 14 HE22 GLN 14 22.251 11.490 22.236 127 H ARG 15 HN ARG 15 23.971 17.224 21.683 128 HA ARG 15 HA ARG 15 22.862 17.690 19.115 129 HB2 ARG 15 HB2 ARG 15 21.290 19.141 20.267 130 HB3 ARG 15 HB1 ARG 15 21.520 17.639 21.237 131 HG2 ARG 15 HG2 ARG 15 23.422 18.965 22.469 132 HG3 ARG 15 HG1 ARG 15 22.676 20.427 21.739 133 HD2 ARG 15 HD2 ARG 15 21.718 20.142 23.992 134 HD3 ARG 15 HD1 ARG 15 20.422 19.698 22.794 135 HE ARG 15 HE ARG 15 22.009 17.369 23.563 136 HH11 ARG 15 HH11 ARG 15 19.447 19.616 24.600 137 HH12 ARG 15 HH12 ARG 15 18.640 18.469 25.618 138 HH21 ARG 15 HH21 ARG 15 20.912 15.807 24.941 139 HH22 ARG 15 HH22 ARG 15 19.489 16.266 25.815 140 H LYS 16 HN LYS 16 25.467 19.004 20.992 141 HA LYS 16 HA LYS 16 25.239 21.564 19.559 142 HB2 LYS 16 HB2 LYS 16 27.108 20.778 21.872 143 HB3 LYS 16 HB1 LYS 16 26.909 22.433 21.177 144 HG2 LYS 16 HG2 LYS 16 24.513 22.427 21.930 145 HG3 LYS 16 HG1 LYS 16 24.778 20.798 22.645 146 HD2 LYS 16 HD2 LYS 16 26.530 21.738 24.160 147 HD3 LYS 16 HD1 LYS 16 26.278 23.369 23.446 148 HE2 LYS 16 HE2 LYS 16 23.903 23.372 24.269 149 HE3 LYS 16 HE1 LYS 16 24.153 21.724 24.982 150 HZ1 LYS 16 HZ1 LYS 16 25.099 22.627 26.720 151 HZ2 LYS 16 HZ2 LYS 16 24.678 24.165 26.136 152 HZ3 LYS 16 HZ3 LYS 16 26.205 23.512 25.785 153 H LYS 17 HN LYS 17 27.093 18.808 20.455 154 HA LYS 17 HA LYS 17 29.158 19.508 18.466 155 HB2 LYS 17 HB2 LYS 17 29.037 17.748 20.930 156 HB3 LYS 17 HB1 LYS 17 30.162 17.261 19.608 157 HG2 LYS 17 HG2 LYS 17 30.183 20.130 20.668 158 HG3 LYS 17 HG1 LYS 17 31.010 18.824 21.583 159 HD2 LYS 17 HD2 LYS 17 32.421 18.283 19.630 160 HD3 LYS 17 HD1 LYS 17 31.524 19.460 18.611 161 HE2 LYS 17 HE2 LYS 17 33.658 20.476 19.325 162 HE3 LYS 17 HE1 LYS 17 32.307 21.324 20.185 163 HZ1 LYS 17 HZ1 LYS 17 34.495 20.184 21.315 164 HZ2 LYS 17 HZ2 LYS 17 33.281 19.031 21.602 165 HZ3 LYS 17 HZ3 LYS 17 33.066 20.635 22.114 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 29.702 0.657 37.130 2 H2 ALA 1 HT2 ALA 1 28.743 1.270 38.390 3 H3 ALA 1 HT3 ALA 1 29.440 2.331 37.262 4 HA ALA 1 HA ALA 1 27.838 0.306 36.056 5 HB1 ALA 1 HB1 ALA 1 26.538 0.618 38.197 6 HB2 ALA 1 HB2 ALA 1 25.626 1.257 36.776 7 HB3 ALA 1 HB3 ALA 1 26.490 2.394 37.880 8 H MET 2 HN MET 2 29.745 1.996 34.947 9 HA MET 2 HA MET 2 28.189 4.266 33.898 10 HB2 MET 2 HB2 MET 2 31.114 3.514 33.405 11 HB3 MET 2 HB1 MET 2 30.285 5.008 32.860 12 HG2 MET 2 HG2 MET 2 30.903 4.192 35.765 13 HG3 MET 2 HG1 MET 2 31.718 5.476 34.819 14 HE1 MET 2 HE1 MET 2 29.136 7.114 33.335 15 HE2 MET 2 HE2 MET 2 30.842 7.325 33.859 16 HE3 MET 2 HE3 MET 2 29.559 8.390 34.529 17 H ARG 3 HN ARG 3 26.908 3.613 32.395 18 HA ARG 3 HA ARG 3 27.661 1.635 30.559 19 HB2 ARG 3 HB2 ARG 3 25.264 2.107 31.033 20 HB3 ARG 3 HB1 ARG 3 25.555 3.839 30.616 21 HG2 ARG 3 HG2 ARG 3 25.905 3.347 28.300 22 HG3 ARG 3 HG1 ARG 3 25.961 1.571 28.594 23 HD2 ARG 3 HD2 ARG 3 23.449 3.302 29.140 24 HD3 ARG 3 HD1 ARG 3 23.744 2.403 27.586 25 HE ARG 3 HE ARG 3 24.093 0.549 29.737 26 HH11 ARG 3 HH11 ARG 3 21.586 2.597 28.252 27 HH12 ARG 3 HH12 ARG 3 20.272 1.542 28.647 28 HH21 ARG 3 HH21 ARG 3 22.305 -0.889 30.274 29 HH22 ARG 3 HH22 ARG 3 20.687 -0.474 29.817 30 H LEU 4 HN LEU 4 27.432 5.030 30.864 31 HA LEU 4 HA LEU 4 27.689 6.169 28.620 32 HB2 LEU 4 HB2 LEU 4 29.357 6.785 31.124 33 HB3 LEU 4 HB1 LEU 4 29.256 7.910 29.731 34 HG LEU 4 HG LEU 4 27.390 7.476 31.958 35 HD11 LEU 4 HD11 LEU 4 28.494 9.639 30.423 36 HD12 LEU 4 HD12 LEU 4 27.402 9.743 31.853 37 HD13 LEU 4 HD13 LEU 4 26.710 9.723 30.188 38 HD21 LEU 4 HD21 LEU 4 26.257 7.169 29.117 39 HD22 LEU 4 HD22 LEU 4 25.298 7.965 30.419 40 HD23 LEU 4 HD23 LEU 4 25.858 6.263 30.628 41 H SER 5 HN SER 5 28.626 5.180 26.934 42 HA SER 5 HA SER 5 31.559 4.853 27.012 43 HB2 SER 5 HB2 SER 5 30.381 2.643 26.629 44 HB3 SER 5 HB1 SER 5 29.525 3.379 25.217 45 HG SER 5 HG SER 5 31.216 3.046 24.089 46 H DPP 6 HN DPP 6 32.759 5.971 25.447 47 HA DPP 6 HA DPP 6 33.204 7.424 23.819 48 HB2 DPP 6 HB2 DPP 6 30.843 6.302 22.555 49 HB3 DPP 6 HB3 DPP 6 32.007 7.442 21.788 50 H PHE 7 HN PHE 7 31.638 7.666 26.589 51 HA PHE 7 HA PHE 7 30.099 9.854 26.199 52 HB2 PHE 7 HB2 PHE 7 30.627 8.521 28.604 53 HB3 PHE 7 HB1 PHE 7 30.810 10.332 28.800 54 HD1 PHE 7 HD1 PHE 7 28.561 7.680 27.800 55 HD2 PHE 7 HD2 PHE 7 29.142 11.815 28.180 56 HE1 PHE 7 HE1 PHE 7 26.199 8.069 27.483 57 HE2 PHE 7 HE2 PHE 7 26.821 12.198 27.821 58 HZ PHE 7 HZ PHE 7 25.420 10.313 27.547 59 H PHE 8 HN PHE 8 29.904 11.556 26.542 60 HA PHE 8 HA PHE 8 30.079 13.506 26.694 61 HB2 PHE 8 HB2 PHE 8 32.810 12.929 27.911 62 HB3 PHE 8 HB1 PHE 8 32.479 14.640 27.341 63 HD1 PHE 8 HD1 PHE 8 31.434 11.958 29.551 64 HD2 PHE 8 HD2 PHE 8 30.628 15.729 27.881 65 HE1 PHE 8 HE1 PHE 8 29.353 12.020 30.772 66 HE2 PHE 8 HE2 PHE 8 28.596 15.886 29.077 67 HZ PHE 8 HZ PHE 8 27.925 14.026 30.575 68 H ARG 9 HN ARG 9 30.129 14.986 25.783 69 HA ARG 9 HA ARG 9 29.909 16.130 24.180 70 HB2 ARG 9 HB2 ARG 9 32.680 15.515 23.113 71 HB3 ARG 9 HB1 ARG 9 31.736 17.017 22.830 72 HG2 ARG 9 HG2 ARG 9 32.617 17.977 24.686 73 HG3 ARG 9 HG1 ARG 9 31.980 16.638 25.716 74 HD2 ARG 9 HD2 ARG 9 34.698 16.692 24.227 75 HD3 ARG 9 HD1 ARG 9 34.408 16.701 26.030 76 HE ARG 9 HE ARG 9 33.030 14.439 24.859 77 HH11 ARG 9 HH11 ARG 9 36.312 15.723 25.543 78 HH12 ARG 9 HH12 ARG 9 37.056 14.168 25.712 79 HH21 ARG 9 HH21 ARG 9 34.064 12.330 25.096 80 HH22 ARG 9 HH22 ARG 9 35.755 12.204 25.454 81 H GLN 10 HN GLN 10 28.581 14.000 23.944 82 HA GLN 10 HA GLN 10 28.533 13.615 21.220 83 HB2 GLN 10 HB2 GLN 10 30.484 12.295 21.466 84 HB3 GLN 10 HB1 GLN 10 30.049 11.986 23.187 85 HG2 GLN 10 HG2 GLN 10 28.376 10.280 22.466 86 HG3 GLN 10 HG1 GLN 10 28.740 10.590 20.733 87 HE21 GLN 10 HE21 GLN 10 29.336 8.209 22.980 88 H PHE 11 HN PHE 11 27.155 13.761 24.175 89 HA PHE 11 HA PHE 11 24.900 12.122 23.352 90 HB2 PHE 11 HB2 PHE 11 26.162 12.474 26.035 91 HB3 PHE 11 HB1 PHE 11 24.737 11.392 25.684 92 HD1 PHE 11 HD1 PHE 11 28.177 12.252 24.886 93 HD2 PHE 11 HD2 PHE 11 25.174 9.251 25.138 94 HE1 PHE 11 HE1 PHE 11 29.806 10.544 24.519 95 HE2 PHE 11 HE2 PHE 11 26.837 7.515 24.817 96 HZ PHE 11 HZ PHE 11 29.179 8.155 24.508 97 H ILE 12 HN ILE 12 26.465 14.331 25.290 98 HA ILE 12 HA ILE 12 24.217 15.445 26.454 99 HB ILE 12 HB ILE 12 27.038 16.350 26.615 100 HG12 ILE 12 HG12 ILE 12 27.077 14.499 28.506 101 HG13 ILE 12 HG11 ILE 12 26.027 13.724 27.319 102 HG21 ILE 12 HG21 ILE 12 25.097 17.504 27.922 103 HG22 ILE 12 HG22 ILE 12 26.464 16.913 28.942 104 HG23 ILE 12 HG23 ILE 12 24.930 15.969 28.857 105 HD11 ILE 12 HD11 ILE 12 27.794 14.520 25.522 106 HD12 ILE 12 HD12 ILE 12 28.117 13.057 26.533 107 HD13 ILE 12 HD13 ILE 12 28.840 14.641 26.954 108 H LEU 13 HN LEU 13 26.613 15.608 24.330 109 HA LEU 13 HA LEU 13 26.435 18.414 23.875 110 HB2 LEU 13 HB2 LEU 13 28.122 16.056 24.350 111 HB3 LEU 13 HB1 LEU 13 28.783 17.224 23.063 112 HG LEU 13 HG LEU 13 29.469 18.734 24.661 113 HD11 LEU 13 HD11 LEU 13 27.946 19.429 26.633 114 HD12 LEU 13 HD12 LEU 13 26.690 18.343 25.925 115 HD13 LEU 13 HD13 LEU 13 27.292 19.756 24.983 116 HD21 LEU 13 HD21 LEU 13 30.414 17.353 26.195 117 HD22 LEU 13 HD22 LEU 13 29.133 16.125 25.904 118 HD23 LEU 13 HD23 LEU 13 28.882 17.400 27.152 119 H GLN 14 HN GLN 14 25.843 15.395 22.610 120 HA GLN 14 HA GLN 14 26.728 15.356 20.049 121 HB2 GLN 14 HB2 GLN 14 24.409 14.195 19.632 122 HB3 GLN 14 HB1 GLN 14 25.557 13.455 20.840 123 HG2 GLN 14 HG2 GLN 14 24.462 14.675 22.694 124 HG3 GLN 14 HG1 GLN 14 23.345 15.491 21.546 125 HE21 GLN 14 HE21 GLN 14 24.413 12.056 21.189 126 HE22 GLN 14 HE22 GLN 14 22.852 11.353 21.446 127 H ARG 15 HN ARG 15 24.120 17.254 21.387 128 HA ARG 15 HA ARG 15 22.907 17.755 18.912 129 HB2 ARG 15 HB2 ARG 15 21.457 19.271 20.175 130 HB3 ARG 15 HB1 ARG 15 21.719 17.750 21.107 131 HG2 ARG 15 HG2 ARG 15 23.655 18.926 22.311 132 HG3 ARG 15 HG1 ARG 15 23.117 20.453 21.534 133 HD2 ARG 15 HD2 ARG 15 21.325 18.696 23.357 134 HD3 ARG 15 HD1 ARG 15 22.186 20.208 23.879 135 HE ARG 15 HE ARG 15 19.807 20.043 22.096 136 HH11 ARG 15 HH11 ARG 15 22.521 21.958 23.396 137 HH12 ARG 15 HH12 ARG 15 21.798 23.494 23.054 138 HH21 ARG 15 HH21 ARG 15 18.829 22.131 21.636 139 HH22 ARG 15 HH22 ARG 15 19.665 23.594 22.038 140 H LYS 16 HN LYS 16 25.629 19.166 20.584 141 HA LYS 16 HA LYS 16 25.332 21.555 18.921 142 HB2 LYS 16 HB2 LYS 16 25.287 22.284 21.231 143 HB3 LYS 16 HB1 LYS 16 26.563 21.097 21.684 144 HG2 LYS 16 HG2 LYS 16 28.234 22.336 20.387 145 HG3 LYS 16 HG1 LYS 16 26.987 23.486 19.794 146 HD2 LYS 16 HD2 LYS 16 26.629 24.372 22.047 147 HD3 LYS 16 HD1 LYS 16 27.642 23.079 22.775 148 HE2 LYS 16 HE2 LYS 16 28.911 25.221 22.668 149 HE3 LYS 16 HE1 LYS 16 29.661 24.008 21.548 150 HZ1 LYS 16 HZ1 LYS 16 28.993 26.488 20.872 151 HZ2 LYS 16 HZ2 LYS 16 27.578 25.675 20.404 152 HZ3 LYS 16 HZ3 LYS 16 29.082 25.193 19.779 153 H LYS 17 HN LYS 17 27.383 19.146 20.397 154 HA LYS 17 HA LYS 17 29.508 19.803 18.485 155 HB2 LYS 17 HB2 LYS 17 29.378 18.135 21.043 156 HB3 LYS 17 HB1 LYS 17 30.818 18.107 19.953 157 HG2 LYS 17 HG2 LYS 17 31.073 20.590 20.257 158 HG3 LYS 17 HG1 LYS 17 29.655 20.595 21.360 159 HD2 LYS 17 HD2 LYS 17 30.868 19.035 22.909 160 HD3 LYS 17 HD1 LYS 17 32.291 19.062 21.813 161 HE2 LYS 17 HE2 LYS 17 31.102 21.549 23.218 162 HE3 LYS 17 HE1 LYS 17 32.562 20.629 23.771 163 HZ1 LYS 17 HZ1 LYS 17 32.274 22.559 21.678 164 HZ2 LYS 17 HZ2 LYS 17 33.035 21.139 21.140 165 HZ3 LYS 17 HZ3 LYS 17 33.665 21.989 22.468 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 28.070 2.649 38.199 2 H2 ALA 1 HT2 ALA 1 27.671 1.381 37.141 3 H3 ALA 1 HT3 ALA 1 26.638 1.766 38.433 4 HA ALA 1 HA ALA 1 25.672 2.614 36.487 5 HB1 ALA 1 HB1 ALA 1 25.624 5.088 37.018 6 HB2 ALA 1 HB2 ALA 1 27.078 4.860 38.063 7 HB3 ALA 1 HB3 ALA 1 25.512 4.084 38.512 8 H MET 2 HN MET 2 27.295 1.665 34.810 9 HA MET 2 HA MET 2 28.522 3.981 33.491 10 HB2 MET 2 HB2 MET 2 29.792 1.190 33.775 11 HB3 MET 2 HB1 MET 2 30.358 2.469 32.638 12 HG2 MET 2 HG2 MET 2 30.708 3.993 34.658 13 HG3 MET 2 HG1 MET 2 30.341 2.593 35.713 14 HE1 MET 2 HE1 MET 2 33.099 0.183 35.581 15 HE2 MET 2 HE2 MET 2 31.808 0.015 34.341 16 HE3 MET 2 HE3 MET 2 31.405 0.633 35.980 17 H ARG 3 HN ARG 3 28.947 3.537 31.230 18 HA ARG 3 HA ARG 3 27.854 1.531 29.774 19 HB2 ARG 3 HB2 ARG 3 25.569 2.163 30.508 20 HB3 ARG 3 HB1 ARG 3 26.021 3.909 30.371 21 HG2 ARG 3 HG2 ARG 3 26.178 3.792 27.977 22 HG3 ARG 3 HG1 ARG 3 25.994 2.001 27.975 23 HD2 ARG 3 HD2 ARG 3 23.639 2.177 28.731 24 HD3 ARG 3 HD1 ARG 3 23.809 3.977 28.947 25 HE ARG 3 HE ARG 3 24.539 3.419 26.260 26 HH11 ARG 3 HH11 ARG 3 21.734 3.039 28.421 27 HH12 ARG 3 HH12 ARG 3 20.550 3.201 27.168 28 HH21 ARG 3 HH21 ARG 3 22.930 3.641 24.554 29 HH22 ARG 3 HH22 ARG 3 21.243 3.550 24.931 30 H LEU 4 HN LEU 4 28.199 4.831 30.559 31 HA LEU 4 HA LEU 4 28.337 6.096 28.259 32 HB2 LEU 4 HB2 LEU 4 30.001 6.581 30.800 33 HB3 LEU 4 HB1 LEU 4 29.847 7.782 29.476 34 HG LEU 4 HG LEU 4 28.029 7.158 31.711 35 HD11 LEU 4 HD11 LEU 4 29.106 9.448 30.341 36 HD12 LEU 4 HD12 LEU 4 28.056 9.423 31.807 37 HD13 LEU 4 HD13 LEU 4 27.315 9.551 30.170 38 HD21 LEU 4 HD21 LEU 4 26.888 6.949 28.887 39 HD22 LEU 4 HD22 LEU 4 25.955 7.867 30.120 40 HD23 LEU 4 HD23 LEU 4 26.383 6.141 30.418 41 H SER 5 HN SER 5 29.305 5.201 26.562 42 HA SER 5 HA SER 5 31.986 4.115 26.796 43 HB2 SER 5 HB2 SER 5 31.614 3.602 24.247 44 HB3 SER 5 HB1 SER 5 30.608 2.694 25.443 45 HG SER 5 HG SER 5 29.003 3.487 24.430 46 H DPP 6 HN DPP 6 30.731 5.974 23.903 47 HA DPP 6 HA DPP 6 33.292 7.247 23.658 48 HB2 DPP 6 HB2 DPP 6 31.414 6.742 21.707 49 HB3 DPP 6 HB3 DPP 6 32.517 8.157 21.565 50 H PHE 7 HN PHE 7 31.990 7.693 26.286 51 HA PHE 7 HA PHE 7 30.430 9.890 26.027 52 HB2 PHE 7 HB2 PHE 7 31.145 8.512 28.366 53 HB3 PHE 7 HB1 PHE 7 31.271 10.324 28.584 54 HD1 PHE 7 HD1 PHE 7 29.094 7.624 27.528 55 HD2 PHE 7 HD2 PHE 7 29.519 11.736 28.186 56 HE1 PHE 7 HE1 PHE 7 26.707 7.930 27.309 57 HE2 PHE 7 HE2 PHE 7 27.172 12.041 27.932 58 HZ PHE 7 HZ PHE 7 25.838 10.129 27.562 59 H PHE 8 HN PHE 8 30.227 11.557 26.462 60 HA PHE 8 HA PHE 8 30.351 13.502 26.649 61 HB2 PHE 8 HB2 PHE 8 33.160 12.977 27.689 62 HB3 PHE 8 HB1 PHE 8 32.747 14.694 27.194 63 HD1 PHE 8 HD1 PHE 8 31.910 11.914 29.369 64 HD2 PHE 8 HD2 PHE 8 30.894 15.711 27.879 65 HE1 PHE 8 HE1 PHE 8 29.905 11.871 30.712 66 HE2 PHE 8 HE2 PHE 8 28.935 15.765 29.204 67 HZ PHE 8 HZ PHE 8 28.411 13.840 30.673 68 H ARG 9 HN ARG 9 30.312 15.031 25.818 69 HA ARG 9 HA ARG 9 29.938 16.232 24.289 70 HB2 ARG 9 HB2 ARG 9 32.661 15.797 23.025 71 HB3 ARG 9 HB1 ARG 9 31.636 17.265 22.880 72 HG2 ARG 9 HG2 ARG 9 32.610 18.173 24.715 73 HG3 ARG 9 HG1 ARG 9 32.062 16.777 25.720 74 HD2 ARG 9 HD2 ARG 9 34.701 16.983 24.107 75 HD3 ARG 9 HD1 ARG 9 34.495 16.878 25.918 76 HE ARG 9 HE ARG 9 33.126 14.648 24.691 77 HH11 ARG 9 HH11 ARG 9 36.407 15.990 25.253 78 HH12 ARG 9 HH12 ARG 9 37.202 14.452 25.285 79 HH21 ARG 9 HH21 ARG 9 34.229 12.561 24.739 80 HH22 ARG 9 HH22 ARG 9 35.942 12.467 24.988 81 H GLN 10 HN GLN 10 28.663 14.087 24.014 82 HA GLN 10 HA GLN 10 28.462 13.824 21.283 83 HB2 GLN 10 HB2 GLN 10 30.480 12.596 21.359 84 HB3 GLN 10 HB1 GLN 10 30.150 12.165 23.077 85 HG2 GLN 10 HG2 GLN 10 28.530 10.429 22.344 86 HG3 GLN 10 HG1 GLN 10 28.774 10.862 20.614 87 HE21 GLN 10 HE21 GLN 10 29.642 8.356 22.613 88 H PHE 11 HN PHE 11 27.271 13.755 24.333 89 HA PHE 11 HA PHE 11 25.020 12.088 23.544 90 HB2 PHE 11 HB2 PHE 11 26.450 12.313 26.160 91 HB3 PHE 11 HB1 PHE 11 25.034 11.210 25.836 92 HD1 PHE 11 HD1 PHE 11 28.393 12.211 24.898 93 HD2 PHE 11 HD2 PHE 11 25.471 9.133 25.103 94 HE1 PHE 11 HE1 PHE 11 30.044 10.558 24.338 95 HE2 PHE 11 HE2 PHE 11 27.142 7.451 24.583 96 HZ PHE 11 HZ PHE 11 29.461 8.139 24.175 97 H ILE 12 HN ILE 12 26.635 14.244 25.503 98 HA ILE 12 HA ILE 12 24.425 15.222 26.855 99 HB ILE 12 HB ILE 12 27.215 16.236 26.858 100 HG12 ILE 12 HG12 ILE 12 27.444 14.314 28.670 101 HG13 ILE 12 HG11 ILE 12 26.344 13.550 27.519 102 HG21 ILE 12 HG21 ILE 12 25.290 15.692 29.227 103 HG22 ILE 12 HG22 ILE 12 25.320 17.260 28.336 104 HG23 ILE 12 HG23 ILE 12 26.782 16.704 29.234 105 HD11 ILE 12 HD11 ILE 12 28.398 12.988 26.568 106 HD12 ILE 12 HD12 ILE 12 29.097 14.580 27.013 107 HD13 ILE 12 HD13 ILE 12 27.969 14.484 25.651 108 H LEU 13 HN LEU 13 26.655 15.520 24.585 109 HA LEU 13 HA LEU 13 26.331 18.310 24.134 110 HB2 LEU 13 HB2 LEU 13 28.148 16.030 24.512 111 HB3 LEU 13 HB1 LEU 13 28.675 17.231 23.197 112 HG LEU 13 HG LEU 13 29.391 18.763 24.758 113 HD11 LEU 13 HD11 LEU 13 27.186 19.690 25.185 114 HD12 LEU 13 HD12 LEU 13 27.951 19.420 26.798 115 HD13 LEU 13 HD13 LEU 13 26.706 18.268 26.181 116 HD21 LEU 13 HD21 LEU 13 28.993 17.423 27.288 117 HD22 LEU 13 HD22 LEU 13 30.476 17.442 26.254 118 HD23 LEU 13 HD23 LEU 13 29.245 16.150 26.036 119 H GLN 14 HN GLN 14 25.688 15.287 22.989 120 HA GLN 14 HA GLN 14 26.361 15.089 20.401 121 HB2 GLN 14 HB2 GLN 14 23.936 14.090 20.189 122 HB3 GLN 14 HB1 GLN 14 25.101 13.319 21.358 123 HG2 GLN 14 HG2 GLN 14 24.231 14.767 23.208 124 HG3 GLN 14 HG1 GLN 14 23.047 15.514 22.068 125 HE21 GLN 14 HE21 GLN 14 21.188 14.696 23.201 126 HE22 GLN 14 HE22 GLN 14 20.738 13.026 23.142 127 H ARG 15 HN ARG 15 23.935 17.209 21.775 128 HA ARG 15 HA ARG 15 22.657 17.690 19.327 129 HB2 ARG 15 HB2 ARG 15 21.331 19.314 20.579 130 HB3 ARG 15 HB1 ARG 15 21.561 17.826 21.569 131 HG2 ARG 15 HG2 ARG 15 23.581 18.954 22.658 132 HG3 ARG 15 HG1 ARG 15 23.111 20.468 21.814 133 HD2 ARG 15 HD2 ARG 15 20.873 20.447 22.986 134 HD3 ARG 15 HD1 ARG 15 21.355 18.922 23.846 135 HE ARG 15 HE ARG 15 22.847 20.187 25.198 136 HH11 ARG 15 HH11 ARG 15 21.528 22.136 22.517 137 HH12 ARG 15 HH12 ARG 15 22.090 23.650 23.140 138 HH21 ARG 15 HH21 ARG 15 23.608 22.248 26.040 139 HH22 ARG 15 HH22 ARG 15 23.293 23.714 25.175 140 H LYS 16 HN LYS 16 25.489 19.022 20.884 141 HA LYS 16 HA LYS 16 25.278 21.361 19.133 142 HB2 LYS 16 HB2 LYS 16 25.470 22.322 21.288 143 HB3 LYS 16 HB1 LYS 16 26.418 20.925 21.910 144 HG2 LYS 16 HG2 LYS 16 28.420 21.663 20.759 145 HG3 LYS 16 HG1 LYS 16 27.517 22.918 19.841 146 HD2 LYS 16 HD2 LYS 16 28.722 24.035 21.626 147 HD3 LYS 16 HD1 LYS 16 26.977 24.056 22.053 148 HE2 LYS 16 HE2 LYS 16 27.310 22.155 23.637 149 HE3 LYS 16 HE1 LYS 16 29.058 22.051 23.165 150 HZ1 LYS 16 HZ1 LYS 16 27.649 24.247 24.574 151 HZ2 LYS 16 HZ2 LYS 16 29.186 24.439 23.878 152 HZ3 LYS 16 HZ3 LYS 16 28.948 23.294 25.110 153 H LYS 17 HN LYS 17 27.172 18.752 20.478 154 HA LYS 17 HA LYS 17 29.289 19.293 18.515 155 HB2 LYS 17 HB2 LYS 17 29.058 17.761 21.112 156 HB3 LYS 17 HB1 LYS 17 30.221 17.130 19.887 157 HG2 LYS 17 HG2 LYS 17 30.267 20.092 20.634 158 HG3 LYS 17 HG1 LYS 17 31.007 18.885 21.739 159 HD2 LYS 17 HD2 LYS 17 32.490 18.079 19.926 160 HD3 LYS 17 HD1 LYS 17 31.694 19.178 18.747 161 HE2 LYS 17 HE2 LYS 17 33.826 20.188 19.469 162 HE3 LYS 17 HE1 LYS 17 32.469 21.163 20.172 163 HZ1 LYS 17 HZ1 LYS 17 34.527 20.211 21.552 164 HZ2 LYS 17 HZ2 LYS 17 33.418 18.948 21.793 165 HZ3 LYS 17 HZ3 LYS 17 33.001 20.538 22.221 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 24.488 2.813 36.792 2 H2 ALA 1 HT2 ALA 1 25.491 1.445 36.713 3 H3 ALA 1 HT3 ALA 1 25.287 2.429 35.343 4 HA ALA 1 HA ALA 1 26.135 4.144 37.268 5 HB1 ALA 1 HB1 ALA 1 27.749 1.518 37.342 6 HB2 ALA 1 HB2 ALA 1 26.807 2.217 38.712 7 HB3 ALA 1 HB3 ALA 1 28.276 3.068 38.102 8 H MET 2 HN MET 2 27.333 1.709 34.856 9 HA MET 2 HA MET 2 28.557 3.987 33.460 10 HB2 MET 2 HB2 MET 2 29.747 1.158 33.674 11 HB3 MET 2 HB1 MET 2 30.378 2.491 32.645 12 HG2 MET 2 HG2 MET 2 30.242 2.468 35.722 13 HG3 MET 2 HG1 MET 2 31.709 2.209 34.728 14 HE1 MET 2 HE1 MET 2 32.675 3.571 33.205 15 HE2 MET 2 HE2 MET 2 32.810 5.362 33.270 16 HE3 MET 2 HE3 MET 2 31.481 4.596 32.334 17 H ARG 3 HN ARG 3 28.952 3.522 31.209 18 HA ARG 3 HA ARG 3 27.828 1.532 29.761 19 HB2 ARG 3 HB2 ARG 3 25.543 2.153 30.466 20 HB3 ARG 3 HB1 ARG 3 26.007 3.900 30.414 21 HG2 ARG 3 HG2 ARG 3 26.135 3.923 28.028 22 HG3 ARG 3 HG1 ARG 3 26.014 2.134 27.916 23 HD2 ARG 3 HD2 ARG 3 23.746 3.905 29.064 24 HD3 ARG 3 HD1 ARG 3 23.837 3.377 27.325 25 HE ARG 3 HE ARG 3 24.133 1.048 28.967 26 HH11 ARG 3 HH11 ARG 3 21.762 3.583 28.168 27 HH12 ARG 3 HH12 ARG 3 20.373 2.580 28.422 28 HH21 ARG 3 HH21 ARG 3 22.246 -0.317 29.312 29 HH22 ARG 3 HH22 ARG 3 20.654 0.324 29.084 30 H LEU 4 HN LEU 4 28.216 4.823 30.563 31 HA LEU 4 HA LEU 4 28.354 6.085 28.254 32 HB2 LEU 4 HB2 LEU 4 30.005 6.581 30.801 33 HB3 LEU 4 HB1 LEU 4 29.844 7.779 29.476 34 HG LEU 4 HG LEU 4 28.023 7.135 31.708 35 HD11 LEU 4 HD11 LEU 4 28.054 9.400 31.821 36 HD12 LEU 4 HD12 LEU 4 27.309 9.541 30.186 37 HD13 LEU 4 HD13 LEU 4 29.099 9.440 30.351 38 HD21 LEU 4 HD21 LEU 4 25.960 7.864 30.097 39 HD22 LEU 4 HD22 LEU 4 26.372 6.138 30.411 40 HD23 LEU 4 HD23 LEU 4 26.901 6.928 28.878 41 H SER 5 HN SER 5 29.344 5.174 26.570 42 HA SER 5 HA SER 5 32.039 4.121 26.857 43 HB2 SER 5 HB2 SER 5 30.305 2.811 25.542 44 HB3 SER 5 HB1 SER 5 30.274 4.155 24.336 45 HG SER 5 HG SER 5 32.463 3.787 23.970 46 H DPP 6 HN DPP 6 30.740 5.953 23.939 47 HA DPP 6 HA DPP 6 33.300 7.222 23.671 48 HB2 DPP 6 HB2 DPP 6 31.416 6.704 21.728 49 HB3 DPP 6 HB3 DPP 6 32.518 8.119 21.576 50 H PHE 7 HN PHE 7 32.004 7.675 26.301 51 HA PHE 7 HA PHE 7 30.438 9.869 26.032 52 HB2 PHE 7 HB2 PHE 7 31.151 8.502 28.378 53 HB3 PHE 7 HB1 PHE 7 31.278 10.314 28.589 54 HD1 PHE 7 HD1 PHE 7 29.102 7.613 27.529 55 HD2 PHE 7 HD2 PHE 7 29.524 11.724 28.194 56 HE1 PHE 7 HE1 PHE 7 26.716 7.919 27.307 57 HE2 PHE 7 HE2 PHE 7 27.177 12.028 27.939 58 HZ PHE 7 HZ PHE 7 25.845 10.114 27.563 59 H PHE 8 HN PHE 8 30.234 11.537 26.471 60 HA PHE 8 HA PHE 8 30.355 13.482 26.649 61 HB2 PHE 8 HB2 PHE 8 33.163 12.962 27.694 62 HB3 PHE 8 HB1 PHE 8 32.751 14.678 27.194 63 HD1 PHE 8 HD1 PHE 8 31.911 11.905 29.378 64 HD2 PHE 8 HD2 PHE 8 30.895 15.696 27.870 65 HE1 PHE 8 HE1 PHE 8 29.903 11.866 30.717 66 HE2 PHE 8 HE2 PHE 8 28.932 15.752 29.192 67 HZ PHE 8 HZ PHE 8 28.407 13.832 30.667 68 H ARG 9 HN ARG 9 30.317 15.008 25.813 69 HA ARG 9 HA ARG 9 29.946 16.204 24.280 70 HB2 ARG 9 HB2 ARG 9 32.672 15.768 23.023 71 HB3 ARG 9 HB1 ARG 9 31.644 17.235 22.869 72 HG2 ARG 9 HG2 ARG 9 32.614 18.151 24.700 73 HG3 ARG 9 HG1 ARG 9 32.060 16.763 25.711 74 HD2 ARG 9 HD2 ARG 9 34.708 16.961 24.113 75 HD3 ARG 9 HD1 ARG 9 34.491 16.858 25.923 76 HE ARG 9 HE ARG 9 33.129 14.625 24.694 77 HH11 ARG 9 HH11 ARG 9 36.407 15.972 25.266 78 HH12 ARG 9 HH12 ARG 9 37.204 14.435 25.301 79 HH21 ARG 9 HH21 ARG 9 34.236 12.539 24.745 80 HH22 ARG 9 HH22 ARG 9 35.948 12.448 25.000 81 H GLN 10 HN GLN 10 28.666 14.063 24.006 82 HA GLN 10 HA GLN 10 28.471 13.792 21.276 83 HB2 GLN 10 HB2 GLN 10 30.486 12.561 21.355 84 HB3 GLN 10 HB1 GLN 10 30.157 12.136 23.076 85 HG2 GLN 10 HG2 GLN 10 28.535 10.399 22.350 86 HG3 GLN 10 HG1 GLN 10 28.778 10.825 20.619 87 HE21 GLN 10 HE21 GLN 10 29.647 8.326 22.629 88 H PHE 11 HN PHE 11 27.282 13.719 24.331 89 HA PHE 11 HA PHE 11 25.035 12.049 23.541 90 HB2 PHE 11 HB2 PHE 11 26.460 12.291 26.156 91 HB3 PHE 11 HB1 PHE 11 25.043 11.186 25.838 92 HD1 PHE 11 HD1 PHE 11 28.401 12.183 24.898 93 HD2 PHE 11 HD2 PHE 11 25.476 9.109 25.105 94 HE1 PHE 11 HE1 PHE 11 30.052 10.527 24.343 95 HE2 PHE 11 HE2 PHE 11 27.145 7.423 24.589 96 HZ PHE 11 HZ PHE 11 29.467 8.109 24.184 97 H ILE 12 HN ILE 12 26.637 14.217 25.491 98 HA ILE 12 HA ILE 12 24.423 15.202 26.833 99 HB ILE 12 HB ILE 12 27.214 16.217 26.837 100 HG12 ILE 12 HG12 ILE 12 27.443 14.305 28.657 101 HG13 ILE 12 HG11 ILE 12 26.346 13.533 27.509 102 HG21 ILE 12 HG21 ILE 12 26.775 16.658 29.230 103 HG22 ILE 12 HG22 ILE 12 25.249 15.696 29.182 104 HG23 ILE 12 HG23 ILE 12 25.351 17.271 28.305 105 HD11 ILE 12 HD11 ILE 12 28.401 12.971 26.560 106 HD12 ILE 12 HD12 ILE 12 29.099 14.564 27.003 107 HD13 ILE 12 HD13 ILE 12 27.972 14.465 25.640 108 H LEU 13 HN LEU 13 26.663 15.487 24.566 109 HA LEU 13 HA LEU 13 26.340 18.274 24.094 110 HB2 LEU 13 HB2 LEU 13 28.156 16.001 24.503 111 HB3 LEU 13 HB1 LEU 13 28.691 17.193 23.183 112 HG LEU 13 HG LEU 13 29.387 18.743 24.737 113 HD11 LEU 13 HD11 LEU 13 27.935 19.403 26.766 114 HD12 LEU 13 HD12 LEU 13 26.701 18.238 26.153 115 HD13 LEU 13 HD13 LEU 13 27.174 19.656 25.149 116 HD21 LEU 13 HD21 LEU 13 29.263 16.137 26.026 117 HD22 LEU 13 HD22 LEU 13 28.987 17.408 27.271 118 HD23 LEU 13 HD23 LEU 13 30.476 17.444 26.248 119 H GLN 14 HN GLN 14 25.634 15.279 22.975 120 HA GLN 14 HA GLN 14 26.363 15.042 20.390 121 HB2 GLN 14 HB2 GLN 14 23.923 14.069 20.166 122 HB3 GLN 14 HB1 GLN 14 25.080 13.290 21.341 123 HG2 GLN 14 HG2 GLN 14 24.217 14.700 23.195 124 HG3 GLN 14 HG1 GLN 14 23.101 15.549 22.065 125 HE21 GLN 14 HE21 GLN 14 23.859 12.013 21.902 126 HE22 GLN 14 HE22 GLN 14 22.260 11.469 22.281 127 H ARG 15 HN ARG 15 23.968 17.221 21.738 128 HA ARG 15 HA ARG 15 22.791 17.705 19.210 129 HB2 ARG 15 HB2 ARG 15 21.296 19.205 20.423 130 HB3 ARG 15 HB1 ARG 15 21.517 17.685 21.368 131 HG2 ARG 15 HG2 ARG 15 23.528 18.976 22.509 132 HG3 ARG 15 HG1 ARG 15 22.710 20.448 21.879 133 HD2 ARG 15 HD2 ARG 15 21.274 18.331 23.626 134 HD3 ARG 15 HD1 ARG 15 22.030 19.853 24.274 135 HE ARG 15 HE ARG 15 20.299 20.595 22.120 136 HH11 ARG 15 HH11 ARG 15 20.190 19.110 25.355 137 HH12 ARG 15 HH12 ARG 15 18.606 19.695 25.740 138 HH21 ARG 15 HH21 ARG 15 18.143 21.391 22.642 139 HH22 ARG 15 HH22 ARG 15 17.422 21.013 24.170 140 H LYS 16 HN LYS 16 25.482 18.980 20.985 141 HA LYS 16 HA LYS 16 25.263 21.527 19.525 142 HB2 LYS 16 HB2 LYS 16 27.135 20.745 21.837 143 HB3 LYS 16 HB1 LYS 16 26.983 22.388 21.106 144 HG2 LYS 16 HG2 LYS 16 24.581 22.456 21.865 145 HG3 LYS 16 HG1 LYS 16 24.825 20.849 22.635 146 HD2 LYS 16 HD2 LYS 16 26.583 21.800 24.118 147 HD3 LYS 16 HD1 LYS 16 26.408 23.402 23.326 148 HE2 LYS 16 HE2 LYS 16 25.174 23.382 25.482 149 HE3 LYS 16 HE1 LYS 16 23.989 23.487 24.115 150 HZ1 LYS 16 HZ1 LYS 16 24.753 20.840 25.128 151 HZ2 LYS 16 HZ2 LYS 16 23.288 21.386 24.468 152 HZ3 LYS 16 HZ3 LYS 16 23.709 21.800 26.059 153 H LYS 17 HN LYS 17 27.110 18.774 20.463 154 HA LYS 17 HA LYS 17 29.141 19.408 18.422 155 HB2 LYS 17 HB2 LYS 17 29.045 17.715 20.930 156 HB3 LYS 17 HB1 LYS 17 30.129 17.162 19.601 157 HG2 LYS 17 HG2 LYS 17 30.202 19.987 20.829 158 HG3 LYS 17 HG1 LYS 17 31.238 18.627 21.375 159 HD2 LYS 17 HD2 LYS 17 31.176 19.676 18.478 160 HD3 LYS 17 HD1 LYS 17 32.324 20.259 19.728 161 HE2 LYS 17 HE2 LYS 17 33.186 17.885 20.002 162 HE3 LYS 17 HE1 LYS 17 32.086 17.367 18.657 163 HZ1 LYS 17 HZ1 LYS 17 34.617 18.591 18.531 164 HZ2 LYS 17 HZ2 LYS 17 33.478 19.607 17.784 165 HZ3 LYS 17 HZ3 LYS 17 33.641 17.994 17.276 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 27.185 -0.709 36.079 2 H2 ALA 1 HT2 ALA 1 28.809 -0.215 36.159 3 H3 ALA 1 HT3 ALA 1 27.889 0.110 34.768 4 HA ALA 1 HA ALA 1 26.416 1.227 36.717 5 HB1 ALA 1 HB1 ALA 1 28.040 2.667 38.020 6 HB2 ALA 1 HB2 ALA 1 29.404 1.764 37.256 7 HB3 ALA 1 HB3 ALA 1 28.270 0.912 38.371 8 H MET 2 HN MET 2 29.409 1.847 34.752 9 HA MET 2 HA MET 2 28.079 4.290 33.770 10 HB2 MET 2 HB2 MET 2 30.968 3.312 33.503 11 HB3 MET 2 HB1 MET 2 30.296 4.760 32.684 12 HG2 MET 2 HG2 MET 2 29.851 5.847 34.854 13 HG3 MET 2 HG1 MET 2 30.358 4.375 35.739 14 HE1 MET 2 HE1 MET 2 32.822 7.552 33.514 15 HE2 MET 2 HE2 MET 2 31.051 7.245 33.530 16 HE3 MET 2 HE3 MET 2 32.127 6.241 32.498 17 H ARG 3 HN ARG 3 26.802 3.801 32.206 18 HA ARG 3 HA ARG 3 27.437 1.811 30.341 19 HB2 ARG 3 HB2 ARG 3 25.076 2.499 30.743 20 HB3 ARG 3 HB1 ARG 3 25.546 4.203 30.373 21 HG2 ARG 3 HG2 ARG 3 25.999 3.676 28.056 22 HG3 ARG 3 HG1 ARG 3 25.757 1.913 28.340 23 HD2 ARG 3 HD2 ARG 3 23.328 2.319 28.878 24 HD3 ARG 3 HD1 ARG 3 23.568 4.099 28.598 25 HE ARG 3 HE ARG 3 23.465 1.971 26.525 26 HH11 ARG 3 HH11 ARG 3 24.344 5.312 27.414 27 HH12 ARG 3 HH12 ARG 3 24.325 5.909 25.788 28 HH21 ARG 3 HH21 ARG 3 23.442 2.788 24.321 29 HH22 ARG 3 HH22 ARG 3 23.805 4.450 24.002 30 H LEU 4 HN LEU 4 27.520 5.204 30.741 31 HA LEU 4 HA LEU 4 27.994 6.315 28.501 32 HB2 LEU 4 HB2 LEU 4 29.588 6.845 31.081 33 HB3 LEU 4 HB1 LEU 4 29.496 8.001 29.711 34 HG LEU 4 HG LEU 4 27.608 7.495 31.920 35 HD11 LEU 4 HD11 LEU 4 26.989 9.858 30.297 36 HD12 LEU 4 HD12 LEU 4 28.774 9.715 30.493 37 HD13 LEU 4 HD13 LEU 4 27.708 9.760 31.949 38 HD21 LEU 4 HD21 LEU 4 26.541 7.209 29.077 39 HD22 LEU 4 HD22 LEU 4 25.601 8.214 30.237 40 HD23 LEU 4 HD23 LEU 4 25.959 6.491 30.628 41 H SER 5 HN SER 5 29.010 5.334 26.874 42 HA SER 5 HA SER 5 31.661 4.204 27.299 43 HB2 SER 5 HB2 SER 5 29.803 4.126 24.850 44 HB3 SER 5 HB1 SER 5 31.439 3.355 24.910 45 HG SER 5 HG SER 5 29.606 2.828 26.967 46 H DPP 6 HN DPP 6 30.455 5.960 24.294 47 HA DPP 6 HA DPP 6 33.066 7.127 24.013 48 HB2 DPP 6 HB2 DPP 6 31.196 6.581 22.061 49 HB3 DPP 6 HB3 DPP 6 32.354 7.946 21.864 50 H PHE 7 HN PHE 7 31.716 7.721 26.593 51 HA PHE 7 HA PHE 7 30.233 9.951 26.203 52 HB2 PHE 7 HB2 PHE 7 30.850 8.655 28.616 53 HB3 PHE 7 HB1 PHE 7 31.031 10.469 28.761 54 HD1 PHE 7 HD1 PHE 7 28.792 7.798 27.765 55 HD2 PHE 7 HD2 PHE 7 29.332 11.918 28.261 56 HE1 PHE 7 HE1 PHE 7 26.422 8.167 27.477 57 HE2 PHE 7 HE2 PHE 7 27.002 12.283 27.941 58 HZ PHE 7 HZ PHE 7 25.618 10.398 27.618 59 H PHE 8 HN PHE 8 30.075 11.642 26.569 60 HA PHE 8 HA PHE 8 30.256 13.588 26.677 61 HB2 PHE 8 HB2 PHE 8 33.021 13.020 27.807 62 HB3 PHE 8 HB1 PHE 8 32.675 14.727 27.234 63 HD1 PHE 8 HD1 PHE 8 31.700 12.066 29.500 64 HD2 PHE 8 HD2 PHE 8 30.837 15.827 27.828 65 HE1 PHE 8 HE1 PHE 8 29.661 12.138 30.791 66 HE2 PHE 8 HE2 PHE 8 28.848 15.993 29.100 67 HZ PHE 8 HZ PHE 8 28.229 14.147 30.632 68 H ARG 9 HN ARG 9 30.288 15.083 25.784 69 HA ARG 9 HA ARG 9 29.989 16.229 24.196 70 HB2 ARG 9 HB2 ARG 9 32.728 15.658 23.025 71 HB3 ARG 9 HB1 ARG 9 31.756 17.152 22.794 72 HG2 ARG 9 HG2 ARG 9 32.712 18.100 24.617 73 HG3 ARG 9 HG1 ARG 9 32.093 16.765 25.662 74 HD2 ARG 9 HD2 ARG 9 34.778 16.821 24.114 75 HD3 ARG 9 HD1 ARG 9 34.523 16.797 25.921 76 HE ARG 9 HE ARG 9 33.114 14.562 24.749 77 HH11 ARG 9 HH11 ARG 9 36.422 15.824 25.342 78 HH12 ARG 9 HH12 ARG 9 37.166 14.264 25.457 79 HH21 ARG 9 HH21 ARG 9 34.148 12.444 24.909 80 HH22 ARG 9 HH22 ARG 9 35.851 12.309 25.207 81 H GLN 10 HN GLN 10 28.658 14.111 23.980 82 HA GLN 10 HA GLN 10 28.514 13.739 21.257 83 HB2 GLN 10 HB2 GLN 10 30.491 12.454 21.439 84 HB3 GLN 10 HB1 GLN 10 30.101 12.104 23.162 85 HG2 GLN 10 HG2 GLN 10 28.442 10.395 22.456 86 HG3 GLN 10 HG1 GLN 10 28.746 10.748 20.717 87 HE21 GLN 10 HE21 GLN 10 29.472 8.301 22.843 88 H PHE 11 HN PHE 11 27.245 13.839 24.273 89 HA PHE 11 HA PHE 11 24.965 12.208 23.495 90 HB2 PHE 11 HB2 PHE 11 26.330 12.505 26.139 91 HB3 PHE 11 HB1 PHE 11 24.887 11.433 25.824 92 HD1 PHE 11 HD1 PHE 11 28.301 12.287 24.933 93 HD2 PHE 11 HD2 PHE 11 25.277 9.313 25.193 94 HE1 PHE 11 HE1 PHE 11 29.909 10.561 24.475 95 HE2 PHE 11 HE2 PHE 11 26.903 7.559 24.782 96 HZ PHE 11 HZ PHE 11 29.254 8.157 24.412 97 H ILE 12 HN ILE 12 26.594 14.393 25.408 98 HA ILE 12 HA ILE 12 24.384 15.500 26.655 99 HB ILE 12 HB ILE 12 27.204 16.424 26.691 100 HG12 ILE 12 HG12 ILE 12 27.326 14.576 28.587 101 HG13 ILE 12 HG11 ILE 12 26.231 13.798 27.441 102 HG21 ILE 12 HG21 ILE 12 25.201 16.041 29.027 103 HG22 ILE 12 HG22 ILE 12 25.304 17.570 28.072 104 HG23 ILE 12 HG23 ILE 12 26.724 17.007 29.033 105 HD11 ILE 12 HD11 ILE 12 29.027 14.715 26.964 106 HD12 ILE 12 HD12 ILE 12 27.929 14.605 25.578 107 HD13 ILE 12 HD13 ILE 12 28.290 13.133 26.568 108 H LEU 13 HN LEU 13 26.677 15.629 24.431 109 HA LEU 13 HA LEU 13 26.454 18.409 23.864 110 HB2 LEU 13 HB2 LEU 13 28.187 16.091 24.377 111 HB3 LEU 13 HB1 LEU 13 28.786 17.220 23.029 112 HG LEU 13 HG LEU 13 29.512 18.790 24.546 113 HD11 LEU 13 HD11 LEU 13 26.779 18.440 25.920 114 HD12 LEU 13 HD12 LEU 13 27.325 19.801 24.873 115 HD13 LEU 13 HD13 LEU 13 28.044 19.581 26.515 116 HD21 LEU 13 HD21 LEU 13 29.006 17.571 27.117 117 HD22 LEU 13 HD22 LEU 13 30.514 17.496 26.122 118 HD23 LEU 13 HD23 LEU 13 29.244 16.240 25.926 119 H GLN 14 HN GLN 14 25.746 15.363 22.815 120 HA GLN 14 HA GLN 14 26.491 15.068 20.246 121 HB2 GLN 14 HB2 GLN 14 24.068 14.085 20.005 122 HB3 GLN 14 HB1 GLN 14 25.185 13.347 21.241 123 HG2 GLN 14 HG2 GLN 14 24.276 14.874 23.004 124 HG3 GLN 14 HG1 GLN 14 23.140 15.593 21.797 125 HE21 GLN 14 HE21 GLN 14 21.186 14.859 22.735 126 HE22 GLN 14 HE22 GLN 14 20.728 13.191 22.787 127 H ARG 15 HN ARG 15 24.058 17.267 21.497 128 HA ARG 15 HA ARG 15 22.943 17.688 18.926 129 HB2 ARG 15 HB2 ARG 15 21.372 19.148 20.066 130 HB3 ARG 15 HB1 ARG 15 21.626 17.671 21.071 131 HG2 ARG 15 HG2 ARG 15 23.547 19.055 22.227 132 HG3 ARG 15 HG1 ARG 15 22.744 20.486 21.493 133 HD2 ARG 15 HD2 ARG 15 21.822 20.261 23.746 134 HD3 ARG 15 HD1 ARG 15 20.529 19.656 22.617 135 HE ARG 15 HE ARG 15 22.299 17.493 23.472 136 HH11 ARG 15 HH11 ARG 15 19.602 19.608 24.439 137 HH12 ARG 15 HH12 ARG 15 18.927 18.489 25.575 138 HH21 ARG 15 HH21 ARG 15 21.389 15.972 25.023 139 HH22 ARG 15 HH22 ARG 15 19.962 16.385 25.912 140 H LYS 16 HN LYS 16 25.576 19.029 20.735 141 HA LYS 16 HA LYS 16 25.335 21.554 19.236 142 HB2 LYS 16 HB2 LYS 16 27.190 20.851 21.587 143 HB3 LYS 16 HB1 LYS 16 26.998 22.480 20.833 144 HG2 LYS 16 HG2 LYS 16 24.594 22.497 21.566 145 HG3 LYS 16 HG1 LYS 16 24.855 20.896 22.341 146 HD2 LYS 16 HD2 LYS 16 26.590 21.893 23.838 147 HD3 LYS 16 HD1 LYS 16 26.346 23.496 23.062 148 HE2 LYS 16 HE2 LYS 16 23.963 23.528 23.859 149 HE3 LYS 16 HE1 LYS 16 24.204 21.907 24.635 150 HZ1 LYS 16 HZ1 LYS 16 25.139 22.870 26.347 151 HZ2 LYS 16 HZ2 LYS 16 24.708 24.384 25.709 152 HZ3 LYS 16 HZ3 LYS 16 26.245 23.733 25.391 153 H LYS 17 HN LYS 17 27.188 18.832 20.231 154 HA LYS 17 HA LYS 17 29.290 19.481 18.274 155 HB2 LYS 17 HB2 LYS 17 29.051 17.522 20.605 156 HB3 LYS 17 HB1 LYS 17 30.335 17.309 19.357 157 HG2 LYS 17 HG2 LYS 17 29.927 19.887 20.995 158 HG3 LYS 17 HG1 LYS 17 31.052 18.567 21.462 159 HD2 LYS 17 HD2 LYS 17 32.262 18.859 19.265 160 HD3 LYS 17 HD1 LYS 17 31.167 20.228 18.868 161 HE2 LYS 17 HE2 LYS 17 31.992 21.481 20.886 162 HE3 LYS 17 HE1 LYS 17 33.094 20.098 21.287 163 HZ1 LYS 17 HZ1 LYS 17 34.489 20.670 19.680 164 HZ2 LYS 17 HZ2 LYS 17 33.749 22.194 19.781 165 HZ3 LYS 17 HZ3 LYS 17 33.277 21.100 18.573 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 27.528 0.207 35.168 2 H2 ALA 1 HT2 ALA 1 26.849 -0.446 36.581 3 H3 ALA 1 HT3 ALA 1 28.510 -0.092 36.521 4 HA ALA 1 HA ALA 1 26.283 1.595 37.096 5 HB1 ALA 1 HB1 ALA 1 28.221 1.213 38.656 6 HB2 ALA 1 HB2 ALA 1 28.076 2.959 38.223 7 HB3 ALA 1 HB3 ALA 1 29.330 1.932 37.428 8 H MET 2 HN MET 2 29.174 1.762 34.912 9 HA MET 2 HA MET 2 27.978 4.213 33.775 10 HB2 MET 2 HB2 MET 2 30.832 3.109 33.595 11 HB3 MET 2 HB1 MET 2 30.213 4.506 32.651 12 HG2 MET 2 HG2 MET 2 29.782 5.773 34.740 13 HG3 MET 2 HG1 MET 2 30.296 4.368 35.727 14 HE1 MET 2 HE1 MET 2 32.029 5.981 32.317 15 HE2 MET 2 HE2 MET 2 32.718 7.363 33.235 16 HE3 MET 2 HE3 MET 2 30.951 7.041 33.291 17 H ARG 3 HN ARG 3 27.014 4.047 32.001 18 HA ARG 3 HA ARG 3 27.497 1.756 30.339 19 HB2 ARG 3 HB2 ARG 3 25.123 2.403 30.662 20 HB3 ARG 3 HB1 ARG 3 25.569 4.123 30.334 21 HG2 ARG 3 HG2 ARG 3 26.031 3.681 28.014 22 HG3 ARG 3 HG1 ARG 3 25.896 1.900 28.243 23 HD2 ARG 3 HD2 ARG 3 23.536 3.852 28.714 24 HD3 ARG 3 HD1 ARG 3 23.833 2.973 27.148 25 HE ARG 3 HE ARG 3 23.876 1.027 29.240 26 HH11 ARG 3 HH11 ARG 3 21.668 3.373 27.723 27 HH12 ARG 3 HH12 ARG 3 20.234 2.450 28.018 28 HH21 ARG 3 HH21 ARG 3 21.925 -0.233 29.642 29 HH22 ARG 3 HH22 ARG 3 20.383 0.364 29.129 30 H LEU 4 HN LEU 4 27.573 5.145 30.690 31 HA LEU 4 HA LEU 4 28.043 6.252 28.453 32 HB2 LEU 4 HB2 LEU 4 29.623 6.762 31.044 33 HB3 LEU 4 HB1 LEU 4 29.556 7.927 29.676 34 HG LEU 4 HG LEU 4 27.652 7.441 31.871 35 HD11 LEU 4 HD11 LEU 4 28.824 9.644 30.432 36 HD12 LEU 4 HD12 LEU 4 27.744 9.706 31.875 37 HD13 LEU 4 HD13 LEU 4 27.041 9.787 30.217 38 HD21 LEU 4 HD21 LEU 4 26.584 7.138 29.027 39 HD22 LEU 4 HD22 LEU 4 25.643 8.138 30.190 40 HD23 LEU 4 HD23 LEU 4 26.011 6.417 30.580 41 H SER 5 HN SER 5 29.061 5.304 26.815 42 HA SER 5 HA SER 5 31.695 4.137 27.214 43 HB2 SER 5 HB2 SER 5 31.409 3.522 24.674 44 HB3 SER 5 HB1 SER 5 30.343 2.684 25.871 45 HG SER 5 HG SER 5 28.895 3.404 24.546 46 H DPP 6 HN DPP 6 30.583 5.904 24.204 47 HA DPP 6 HA DPP 6 33.181 7.107 23.997 48 HB2 DPP 6 HB2 DPP 6 31.361 6.568 22.002 49 HB3 DPP 6 HB3 DPP 6 32.498 7.955 21.846 50 H PHE 7 HN PHE 7 31.797 7.684 26.557 51 HA PHE 7 HA PHE 7 30.298 9.901 26.164 52 HB2 PHE 7 HB2 PHE 7 30.907 8.603 28.577 53 HB3 PHE 7 HB1 PHE 7 31.069 10.418 28.728 54 HD1 PHE 7 HD1 PHE 7 28.867 7.727 27.717 55 HD2 PHE 7 HD2 PHE 7 29.361 11.853 28.211 56 HE1 PHE 7 HE1 PHE 7 26.494 8.071 27.412 57 HE2 PHE 7 HE2 PHE 7 27.030 12.195 27.873 58 HZ PHE 7 HZ PHE 7 25.665 10.296 27.545 59 H PHE 8 HN PHE 8 30.119 11.588 26.526 60 HA PHE 8 HA PHE 8 30.278 13.536 26.641 61 HB2 PHE 8 HB2 PHE 8 33.040 12.994 27.798 62 HB3 PHE 8 HB1 PHE 8 32.679 14.700 27.226 63 HD1 PHE 8 HD1 PHE 8 31.713 12.023 29.476 64 HD2 PHE 8 HD2 PHE 8 30.822 15.775 27.803 65 HE1 PHE 8 HE1 PHE 8 29.662 12.069 30.750 66 HE2 PHE 8 HE2 PHE 8 28.820 15.916 29.056 67 HZ PHE 8 HZ PHE 8 28.209 14.062 30.581 68 H ARG 9 HN ARG 9 30.297 15.026 25.748 69 HA ARG 9 HA ARG 9 30.010 16.177 24.161 70 HB2 ARG 9 HB2 ARG 9 32.761 15.623 23.014 71 HB3 ARG 9 HB1 ARG 9 31.781 17.108 22.770 72 HG2 ARG 9 HG2 ARG 9 32.705 18.068 24.604 73 HG3 ARG 9 HG1 ARG 9 32.099 16.722 25.642 74 HD2 ARG 9 HD2 ARG 9 34.791 16.814 24.110 75 HD3 ARG 9 HD1 ARG 9 34.526 16.786 25.916 76 HE ARG 9 HE ARG 9 33.150 14.536 24.730 77 HH11 ARG 9 HH11 ARG 9 36.437 15.832 25.365 78 HH12 ARG 9 HH12 ARG 9 37.196 14.281 25.483 79 HH21 ARG 9 HH21 ARG 9 34.205 12.431 24.893 80 HH22 ARG 9 HH22 ARG 9 35.905 12.312 25.209 81 H GLN 10 HN GLN 10 28.690 14.050 23.925 82 HA GLN 10 HA GLN 10 28.574 13.690 21.201 83 HB2 GLN 10 HB2 GLN 10 30.559 12.421 21.382 84 HB3 GLN 10 HB1 GLN 10 30.173 12.068 23.107 85 HG2 GLN 10 HG2 GLN 10 28.535 10.336 22.396 86 HG3 GLN 10 HG1 GLN 10 28.843 10.689 20.659 87 HE21 GLN 10 HE21 GLN 10 29.596 8.254 22.789 88 H PHE 11 HN PHE 11 27.289 13.753 24.210 89 HA PHE 11 HA PHE 11 25.040 12.089 23.417 90 HB2 PHE 11 HB2 PHE 11 26.381 12.419 26.065 91 HB3 PHE 11 HB1 PHE 11 24.955 11.327 25.747 92 HD1 PHE 11 HD1 PHE 11 28.361 12.225 24.866 93 HD2 PHE 11 HD2 PHE 11 25.379 9.209 25.127 94 HE1 PHE 11 HE1 PHE 11 29.995 10.522 24.420 95 HE2 PHE 11 HE2 PHE 11 27.031 7.477 24.727 96 HZ PHE 11 HZ PHE 11 29.374 8.107 24.361 97 H ILE 12 HN ILE 12 26.619 14.312 25.328 98 HA ILE 12 HA ILE 12 24.381 15.384 26.558 99 HB ILE 12 HB ILE 12 27.192 16.338 26.634 100 HG12 ILE 12 HG12 ILE 12 27.312 14.483 28.522 101 HG13 ILE 12 HG11 ILE 12 26.241 13.697 27.361 102 HG21 ILE 12 HG21 ILE 12 25.107 15.947 28.902 103 HG22 ILE 12 HG22 ILE 12 25.328 17.494 28.000 104 HG23 ILE 12 HG23 ILE 12 26.671 16.838 29.011 105 HD11 ILE 12 HD11 ILE 12 27.951 14.532 25.523 106 HD12 ILE 12 HD12 ILE 12 28.314 13.060 26.506 107 HD13 ILE 12 HD13 ILE 12 29.031 14.647 26.926 108 H LEU 13 HN LEU 13 26.711 15.568 24.367 109 HA LEU 13 HA LEU 13 26.474 18.358 23.856 110 HB2 LEU 13 HB2 LEU 13 28.213 16.040 24.343 111 HB3 LEU 13 HB1 LEU 13 28.823 17.197 23.022 112 HG LEU 13 HG LEU 13 29.513 18.751 24.575 113 HD11 LEU 13 HD11 LEU 13 26.771 18.335 25.909 114 HD12 LEU 13 HD12 LEU 13 27.319 19.732 24.915 115 HD13 LEU 13 HD13 LEU 13 28.016 19.467 26.558 116 HD21 LEU 13 HD21 LEU 13 29.262 16.167 25.893 117 HD22 LEU 13 HD22 LEU 13 29.009 17.470 27.112 118 HD23 LEU 13 HD23 LEU 13 30.519 17.429 26.122 119 H GLN 14 HN GLN 14 25.760 15.361 22.713 120 HA GLN 14 HA GLN 14 26.584 15.212 20.126 121 HB2 GLN 14 HB2 GLN 14 24.223 14.101 19.826 122 HB3 GLN 14 HB1 GLN 14 25.389 13.364 21.019 123 HG2 GLN 14 HG2 GLN 14 24.393 14.680 22.869 124 HG3 GLN 14 HG1 GLN 14 23.257 15.479 21.725 125 HE21 GLN 14 HE21 GLN 14 24.225 12.010 21.456 126 HE22 GLN 14 HE22 GLN 14 22.659 11.357 21.797 127 H ARG 15 HN ARG 15 24.111 17.263 21.518 128 HA ARG 15 HA ARG 15 22.936 17.745 18.978 129 HB2 ARG 15 HB2 ARG 15 21.325 19.109 20.189 130 HB3 ARG 15 HB1 ARG 15 21.617 17.584 21.106 131 HG2 ARG 15 HG2 ARG 15 23.343 18.805 22.504 132 HG3 ARG 15 HG1 ARG 15 22.894 20.325 21.663 133 HD2 ARG 15 HD2 ARG 15 20.521 20.109 22.507 134 HD3 ARG 15 HD1 ARG 15 20.992 18.588 23.389 135 HE ARG 15 HE ARG 15 22.820 20.677 24.137 136 HH11 ARG 15 HH11 ARG 15 19.392 19.742 24.397 137 HH12 ARG 15 HH12 ARG 15 19.138 20.510 25.927 138 HH21 ARG 15 HH21 ARG 15 22.477 21.719 26.222 139 HH22 ARG 15 HH22 ARG 15 20.923 21.654 26.983 140 H LYS 16 HN LYS 16 25.522 19.110 20.852 141 HA LYS 16 HA LYS 16 25.153 21.698 19.497 142 HB2 LYS 16 HB2 LYS 16 27.131 20.939 21.727 143 HB3 LYS 16 HB1 LYS 16 26.809 22.601 21.101 144 HG2 LYS 16 HG2 LYS 16 24.435 22.401 21.928 145 HG3 LYS 16 HG1 LYS 16 24.852 20.787 22.605 146 HD2 LYS 16 HD2 LYS 16 26.639 21.880 24.023 147 HD3 LYS 16 HD1 LYS 16 26.122 23.484 23.399 148 HE2 LYS 16 HE2 LYS 16 24.313 21.524 24.972 149 HE3 LYS 16 HE1 LYS 16 25.124 22.994 25.655 150 HZ1 LYS 16 HZ1 LYS 16 22.744 22.760 24.095 151 HZ2 LYS 16 HZ2 LYS 16 23.830 23.878 23.419 152 HZ3 LYS 16 HZ3 LYS 16 23.325 24.055 25.030 153 H LYS 17 HN LYS 17 27.063 18.953 20.220 154 HA LYS 17 HA LYS 17 28.961 19.712 18.076 155 HB2 LYS 17 HB2 LYS 17 29.274 18.053 20.625 156 HB3 LYS 17 HB1 LYS 17 30.476 17.964 19.281 157 HG2 LYS 17 HG2 LYS 17 30.873 20.435 19.491 158 HG3 LYS 17 HG1 LYS 17 29.689 20.506 20.841 159 HD2 LYS 17 HD2 LYS 17 31.109 18.952 22.179 160 HD3 LYS 17 HD1 LYS 17 32.288 18.848 20.825 161 HE2 LYS 17 HE2 LYS 17 32.747 21.311 21.031 162 HE3 LYS 17 HE1 LYS 17 31.552 21.417 22.391 163 HZ1 LYS 17 HZ1 LYS 17 33.031 20.611 23.782 164 HZ2 LYS 17 HZ2 LYS 17 34.206 20.859 22.581 165 HZ3 LYS 17 HZ3 LYS 17 33.483 19.334 22.759 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 25.542 2.306 35.650 2 H2 ALA 1 HT2 ALA 1 24.850 2.595 37.175 3 H3 ALA 1 HT3 ALA 1 25.835 1.233 36.936 4 HA ALA 1 HA ALA 1 26.536 3.898 37.600 5 HB1 ALA 1 HB1 ALA 1 28.710 2.759 38.248 6 HB2 ALA 1 HB2 ALA 1 28.114 1.254 37.450 7 HB3 ALA 1 HB3 ALA 1 27.268 1.899 38.906 8 H MET 2 HN MET 2 27.578 1.570 35.013 9 HA MET 2 HA MET 2 28.644 3.909 33.605 10 HB2 MET 2 HB2 MET 2 30.041 1.171 33.787 11 HB3 MET 2 HB1 MET 2 30.528 2.528 32.709 12 HG2 MET 2 HG2 MET 2 30.996 3.955 34.697 13 HG3 MET 2 HG1 MET 2 30.485 2.628 35.786 14 HE1 MET 2 HE1 MET 2 34.284 2.927 36.435 15 HE2 MET 2 HE2 MET 2 32.661 2.694 37.172 16 HE3 MET 2 HE3 MET 2 32.995 4.153 36.175 17 H ARG 3 HN ARG 3 28.987 3.445 31.328 18 HA ARG 3 HA ARG 3 27.931 1.385 29.939 19 HB2 ARG 3 HB2 ARG 3 25.647 1.831 30.773 20 HB3 ARG 3 HB1 ARG 3 25.972 3.609 30.690 21 HG2 ARG 3 HG2 ARG 3 25.963 3.623 28.302 22 HG3 ARG 3 HG1 ARG 3 25.968 1.829 28.203 23 HD2 ARG 3 HD2 ARG 3 23.677 2.697 27.710 24 HD3 ARG 3 HD1 ARG 3 23.650 1.811 29.299 25 HE ARG 3 HE ARG 3 24.220 4.622 29.734 26 HH11 ARG 3 HH11 ARG 3 21.656 2.335 28.803 27 HH12 ARG 3 HH12 ARG 3 20.358 3.291 29.433 28 HH21 ARG 3 HH21 ARG 3 22.455 5.927 30.593 29 HH22 ARG 3 HH22 ARG 3 20.820 5.370 30.467 30 H LEU 4 HN LEU 4 28.141 4.694 30.721 31 HA LEU 4 HA LEU 4 28.031 5.982 28.417 32 HB2 LEU 4 HB2 LEU 4 29.745 6.537 30.904 33 HB3 LEU 4 HB1 LEU 4 29.605 7.712 29.556 34 HG LEU 4 HG LEU 4 27.792 7.187 31.798 35 HD11 LEU 4 HD11 LEU 4 27.019 9.453 30.092 36 HD12 LEU 4 HD12 LEU 4 28.809 9.407 30.285 37 HD13 LEU 4 HD13 LEU 4 27.746 9.453 31.742 38 HD21 LEU 4 HD21 LEU 4 26.276 5.950 30.456 39 HD22 LEU 4 HD22 LEU 4 26.590 6.938 28.976 40 HD23 LEU 4 HD23 LEU 4 25.648 7.637 30.344 41 H SER 5 HN SER 5 28.947 5.003 26.693 42 HA SER 5 HA SER 5 31.890 4.773 26.677 43 HB2 SER 5 HB2 SER 5 30.750 2.552 26.253 44 HB3 SER 5 HB1 SER 5 29.841 3.311 24.887 45 HG SER 5 HG SER 5 31.533 3.163 23.702 46 H DPP 6 HN DPP 6 33.028 5.962 25.119 47 HA DPP 6 HA DPP 6 33.406 7.468 23.524 48 HB2 DPP 6 HB2 DPP 6 31.038 6.337 22.281 49 HB3 DPP 6 HB3 DPP 6 32.160 7.523 21.522 50 H PHE 7 HN PHE 7 31.908 7.604 26.336 51 HA PHE 7 HA PHE 7 30.317 9.772 26.044 52 HB2 PHE 7 HB2 PHE 7 30.932 8.385 28.398 53 HB3 PHE 7 HB1 PHE 7 31.085 10.194 28.640 54 HD1 PHE 7 HD1 PHE 7 28.865 7.526 27.617 55 HD2 PHE 7 HD2 PHE 7 29.373 11.659 28.107 56 HE1 PHE 7 HE1 PHE 7 26.490 7.874 27.369 57 HE2 PHE 7 HE2 PHE 7 27.036 12.002 27.815 58 HZ PHE 7 HZ PHE 7 25.667 10.099 27.518 59 H PHE 8 HN PHE 8 30.098 11.460 26.440 60 HA PHE 8 HA PHE 8 30.239 13.407 26.641 61 HB2 PHE 8 HB2 PHE 8 33.011 12.854 27.771 62 HB3 PHE 8 HB1 PHE 8 32.631 14.574 27.257 63 HD1 PHE 8 HD1 PHE 8 31.698 11.812 29.420 64 HD2 PHE 8 HD2 PHE 8 30.771 15.608 27.874 65 HE1 PHE 8 HE1 PHE 8 29.649 11.796 30.695 66 HE2 PHE 8 HE2 PHE 8 28.769 15.690 29.128 67 HZ PHE 8 HZ PHE 8 28.176 13.777 30.590 68 H ARG 9 HN ARG 9 30.236 14.915 25.774 69 HA ARG 9 HA ARG 9 29.943 16.096 24.211 70 HB2 ARG 9 HB2 ARG 9 32.698 15.584 23.051 71 HB3 ARG 9 HB1 ARG 9 31.710 17.071 22.846 72 HG2 ARG 9 HG2 ARG 9 32.626 17.991 24.706 73 HG3 ARG 9 HG1 ARG 9 32.044 16.608 25.709 74 HD2 ARG 9 HD2 ARG 9 34.721 16.767 24.154 75 HD3 ARG 9 HD1 ARG 9 34.477 16.708 25.963 76 HE ARG 9 HE ARG 9 33.115 14.460 24.757 77 HH11 ARG 9 HH11 ARG 9 36.392 15.788 25.371 78 HH12 ARG 9 HH12 ARG 9 37.172 14.246 25.465 79 HH21 ARG 9 HH21 ARG 9 34.197 12.366 24.888 80 HH22 ARG 9 HH22 ARG 9 35.902 12.264 25.185 81 H GLN 10 HN GLN 10 28.660 13.945 23.948 82 HA GLN 10 HA GLN 10 28.549 13.632 21.217 83 HB2 GLN 10 HB2 GLN 10 30.535 12.349 21.384 84 HB3 GLN 10 HB1 GLN 10 30.144 11.980 23.104 85 HG2 GLN 10 HG2 GLN 10 28.491 10.264 22.370 86 HG3 GLN 10 HG1 GLN 10 28.806 10.633 20.639 87 HE21 GLN 10 HE21 GLN 10 29.505 8.201 22.802 88 H PHE 11 HN PHE 11 27.242 13.676 24.208 89 HA PHE 11 HA PHE 11 24.998 12.014 23.396 90 HB2 PHE 11 HB2 PHE 11 26.328 12.315 26.055 91 HB3 PHE 11 HB1 PHE 11 24.912 11.218 25.714 92 HD1 PHE 11 HD1 PHE 11 28.313 12.158 24.852 93 HD2 PHE 11 HD2 PHE 11 25.365 9.103 25.088 94 HE1 PHE 11 HE1 PHE 11 29.961 10.490 24.400 95 HE2 PHE 11 HE2 PHE 11 27.049 7.404 24.676 96 HZ PHE 11 HZ PHE 11 29.370 8.093 24.318 97 H ILE 12 HN ILE 12 26.571 14.193 25.362 98 HA ILE 12 HA ILE 12 24.336 15.234 26.610 99 HB ILE 12 HB ILE 12 27.141 16.189 26.725 100 HG12 ILE 12 HG12 ILE 12 27.266 14.285 28.559 101 HG13 ILE 12 HG11 ILE 12 26.201 13.524 27.378 102 HG21 ILE 12 HG21 ILE 12 25.226 17.275 28.113 103 HG22 ILE 12 HG22 ILE 12 26.618 16.663 29.087 104 HG23 ILE 12 HG23 ILE 12 25.089 15.709 29.000 105 HD11 ILE 12 HD11 ILE 12 28.983 14.509 26.961 106 HD12 ILE 12 HD12 ILE 12 27.903 14.408 25.560 107 HD13 ILE 12 HD13 ILE 12 28.283 12.922 26.520 108 H LEU 13 HN LEU 13 26.660 15.491 24.416 109 HA LEU 13 HA LEU 13 26.414 18.304 24.044 110 HB2 LEU 13 HB2 LEU 13 28.165 15.975 24.413 111 HB3 LEU 13 HB1 LEU 13 28.764 17.187 23.136 112 HG LEU 13 HG LEU 13 29.470 18.667 24.751 113 HD11 LEU 13 HD11 LEU 13 27.279 19.643 25.141 114 HD12 LEU 13 HD12 LEU 13 27.989 19.310 26.767 115 HD13 LEU 13 HD13 LEU 13 26.733 18.208 26.083 116 HD21 LEU 13 HD21 LEU 13 28.961 17.273 27.228 117 HD22 LEU 13 HD22 LEU 13 30.471 17.272 26.235 118 HD23 LEU 13 HD23 LEU 13 29.204 16.030 25.948 119 H GLN 14 HN GLN 14 25.872 15.301 22.713 120 HA GLN 14 HA GLN 14 26.687 15.340 20.133 121 HB2 GLN 14 HB2 GLN 14 24.383 14.139 19.745 122 HB3 GLN 14 HB1 GLN 14 25.572 13.400 20.911 123 HG2 GLN 14 HG2 GLN 14 24.496 14.570 22.813 124 HG3 GLN 14 HG1 GLN 14 23.326 15.364 21.701 125 HE21 GLN 14 HE21 GLN 14 24.462 11.982 21.193 126 HE22 GLN 14 HE22 GLN 14 22.938 11.226 21.511 127 H ARG 15 HN ARG 15 24.042 17.135 21.556 128 HA ARG 15 HA ARG 15 22.808 17.661 19.088 129 HB2 ARG 15 HB2 ARG 15 21.271 19.039 20.403 130 HB3 ARG 15 HB1 ARG 15 21.604 17.488 21.261 131 HG2 ARG 15 HG2 ARG 15 23.553 18.809 22.444 132 HG3 ARG 15 HG1 ARG 15 22.694 20.281 21.872 133 HD2 ARG 15 HD2 ARG 15 21.906 19.807 24.156 134 HD3 ARG 15 HD1 ARG 15 20.553 19.357 23.025 135 HE ARG 15 HE ARG 15 22.326 17.089 23.534 136 HH11 ARG 15 HH11 ARG 15 19.708 19.097 24.877 137 HH12 ARG 15 HH12 ARG 15 19.051 17.842 25.874 138 HH21 ARG 15 HH21 ARG 15 21.434 15.383 24.884 139 HH22 ARG 15 HH22 ARG 15 20.049 15.694 25.878 140 H LYS 16 HN LYS 16 25.435 19.134 20.851 141 HA LYS 16 HA LYS 16 25.016 21.591 19.327 142 HB2 LYS 16 HB2 LYS 16 25.029 22.116 21.710 143 HB3 LYS 16 HB1 LYS 16 26.426 21.013 21.983 144 HG2 LYS 16 HG2 LYS 16 27.881 22.480 20.650 145 HG3 LYS 16 HG1 LYS 16 26.504 23.576 20.287 146 HD2 LYS 16 HD2 LYS 16 26.266 24.085 22.726 147 HD3 LYS 16 HD1 LYS 16 27.625 22.968 23.097 148 HE2 LYS 16 HE2 LYS 16 29.189 24.413 21.769 149 HE3 LYS 16 HE1 LYS 16 27.818 25.534 21.376 150 HZ1 LYS 16 HZ1 LYS 16 28.151 26.526 23.278 151 HZ2 LYS 16 HZ2 LYS 16 29.455 25.496 23.629 152 HZ3 LYS 16 HZ3 LYS 16 27.889 25.090 24.146 153 H LYS 17 HN LYS 17 27.212 19.182 20.574 154 HA LYS 17 HA LYS 17 29.231 20.026 18.620 155 HB2 LYS 17 HB2 LYS 17 29.233 18.319 21.144 156 HB3 LYS 17 HB1 LYS 17 30.579 18.169 19.949 157 HG2 LYS 17 HG2 LYS 17 31.039 20.627 20.169 158 HG3 LYS 17 HG1 LYS 17 29.706 20.766 21.365 159 HD2 LYS 17 HD2 LYS 17 30.884 19.321 22.951 160 HD3 LYS 17 HD1 LYS 17 32.137 18.914 21.730 161 HE2 LYS 17 HE2 LYS 17 33.014 20.598 23.342 162 HE3 LYS 17 HE1 LYS 17 32.860 21.348 21.698 163 HZ1 LYS 17 HZ1 LYS 17 31.839 22.309 24.011 164 HZ2 LYS 17 HZ2 LYS 17 30.483 21.575 23.297 165 HZ3 LYS 17 HZ3 LYS 17 31.359 22.753 22.444 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 27.882 0.166 34.865 2 H2 ALA 1 HT2 ALA 1 27.127 -0.620 36.167 3 H3 ALA 1 HT3 ALA 1 28.741 -0.110 36.304 4 HA ALA 1 HA ALA 1 26.315 1.325 36.715 5 HB1 ALA 1 HB1 ALA 1 28.089 1.089 38.460 6 HB2 ALA 1 HB2 ALA 1 27.881 2.829 38.028 7 HB3 ALA 1 HB3 ALA 1 29.275 1.894 37.364 8 H MET 2 HN MET 2 29.387 1.921 34.866 9 HA MET 2 HA MET 2 28.093 4.333 33.774 10 HB2 MET 2 HB2 MET 2 30.965 3.335 33.420 11 HB3 MET 2 HB1 MET 2 30.287 4.884 32.818 12 HG2 MET 2 HG2 MET 2 30.598 4.085 35.778 13 HG3 MET 2 HG1 MET 2 31.691 5.179 34.874 14 HE1 MET 2 HE1 MET 2 30.279 5.737 37.653 15 HE2 MET 2 HE2 MET 2 29.919 7.486 37.448 16 HE3 MET 2 HE3 MET 2 31.458 6.808 36.817 17 H ARG 3 HN ARG 3 26.839 3.814 32.200 18 HA ARG 3 HA ARG 3 27.505 1.775 30.393 19 HB2 ARG 3 HB2 ARG 3 25.134 2.445 30.748 20 HB3 ARG 3 HB1 ARG 3 25.591 4.148 30.359 21 HG2 ARG 3 HG2 ARG 3 26.057 3.609 28.056 22 HG3 ARG 3 HG1 ARG 3 25.878 1.840 28.357 23 HD2 ARG 3 HD2 ARG 3 23.443 2.103 28.786 24 HD3 ARG 3 HD1 ARG 3 23.590 3.914 28.657 25 HE ARG 3 HE ARG 3 24.650 2.844 26.248 26 HH11 ARG 3 HH11 ARG 3 21.594 2.868 28.076 27 HH12 ARG 3 HH12 ARG 3 20.577 2.757 26.678 28 HH21 ARG 3 HH21 ARG 3 23.268 2.693 24.346 29 HH22 ARG 3 HH22 ARG 3 21.546 2.654 24.522 30 H LEU 4 HN LEU 4 27.539 5.178 30.716 31 HA LEU 4 HA LEU 4 28.015 6.270 28.484 32 HB2 LEU 4 HB2 LEU 4 29.633 6.812 31.044 33 HB3 LEU 4 HB1 LEU 4 29.527 7.961 29.671 34 HG LEU 4 HG LEU 4 27.651 7.455 31.894 35 HD11 LEU 4 HD11 LEU 4 27.042 9.827 30.276 36 HD12 LEU 4 HD12 LEU 4 28.825 9.675 30.479 37 HD13 LEU 4 HD13 LEU 4 27.753 9.721 31.930 38 HD21 LEU 4 HD21 LEU 4 26.574 7.177 29.056 39 HD22 LEU 4 HD22 LEU 4 25.645 8.194 30.213 40 HD23 LEU 4 HD23 LEU 4 25.988 6.469 30.610 41 H SER 5 HN SER 5 29.009 5.320 26.839 42 HA SER 5 HA SER 5 31.644 4.151 27.203 43 HB2 SER 5 HB2 SER 5 31.331 3.539 24.670 44 HB3 SER 5 HB1 SER 5 30.262 2.713 25.871 45 HG SER 5 HG SER 5 28.772 3.464 24.640 46 H DPP 6 HN DPP 6 30.510 5.929 24.209 47 HA DPP 6 HA DPP 6 33.108 7.127 23.982 48 HB2 DPP 6 HB2 DPP 6 31.268 6.595 22.003 49 HB3 DPP 6 HB3 DPP 6 32.410 7.977 21.837 50 H PHE 7 HN PHE 7 31.746 7.703 26.556 51 HA PHE 7 HA PHE 7 30.252 9.927 26.177 52 HB2 PHE 7 HB2 PHE 7 30.875 8.622 28.583 53 HB3 PHE 7 HB1 PHE 7 31.043 10.437 28.737 54 HD1 PHE 7 HD1 PHE 7 28.820 7.755 27.730 55 HD2 PHE 7 HD2 PHE 7 29.338 11.878 28.241 56 HE1 PHE 7 HE1 PHE 7 26.447 8.114 27.442 57 HE2 PHE 7 HE2 PHE 7 27.008 12.232 27.918 58 HZ PHE 7 HZ PHE 7 25.632 10.341 27.589 59 H PHE 8 HN PHE 8 30.082 11.615 26.545 60 HA PHE 8 HA PHE 8 30.253 13.562 26.661 61 HB2 PHE 8 HB2 PHE 8 33.021 13.005 27.791 62 HB3 PHE 8 HB1 PHE 8 32.664 14.713 27.225 63 HD1 PHE 8 HD1 PHE 8 31.705 12.038 29.482 64 HD2 PHE 8 HD2 PHE 8 30.819 15.796 27.822 65 HE1 PHE 8 HE1 PHE 8 29.665 12.093 30.773 66 HE2 PHE 8 HE2 PHE 8 28.829 15.948 29.093 67 HZ PHE 8 HZ PHE 8 28.221 14.094 30.621 68 H ARG 9 HN ARG 9 30.272 15.056 25.771 69 HA ARG 9 HA ARG 9 29.973 16.208 24.187 70 HB2 ARG 9 HB2 ARG 9 32.711 15.644 23.013 71 HB3 ARG 9 HB1 ARG 9 31.735 17.136 22.786 72 HG2 ARG 9 HG2 ARG 9 32.689 18.083 24.612 73 HG3 ARG 9 HG1 ARG 9 32.084 16.739 25.653 74 HD2 ARG 9 HD2 ARG 9 34.759 16.818 24.090 75 HD3 ARG 9 HD1 ARG 9 34.515 16.788 25.900 76 HE ARG 9 HE ARG 9 33.112 14.548 24.729 77 HH11 ARG 9 HH11 ARG 9 36.415 15.826 25.316 78 HH12 ARG 9 HH12 ARG 9 37.168 14.271 25.425 79 HH21 ARG 9 HH21 ARG 9 34.159 12.436 24.880 80 HH22 ARG 9 HH22 ARG 9 35.864 12.309 25.172 81 H GLN 10 HN GLN 10 28.646 14.087 23.961 82 HA GLN 10 HA GLN 10 28.505 13.730 21.238 83 HB2 GLN 10 HB2 GLN 10 30.489 12.455 21.403 84 HB3 GLN 10 HB1 GLN 10 30.113 12.099 23.129 85 HG2 GLN 10 HG2 GLN 10 28.464 10.375 22.428 86 HG3 GLN 10 HG1 GLN 10 28.759 10.731 20.688 87 HE21 GLN 10 HE21 GLN 10 29.516 8.287 22.804 88 H PHE 11 HN PHE 11 27.241 13.805 24.253 89 HA PHE 11 HA PHE 11 24.973 12.156 23.476 90 HB2 PHE 11 HB2 PHE 11 26.344 12.460 26.115 91 HB3 PHE 11 HB1 PHE 11 24.909 11.377 25.803 92 HD1 PHE 11 HD1 PHE 11 28.312 12.260 24.902 93 HD2 PHE 11 HD2 PHE 11 25.314 9.261 25.169 94 HE1 PHE 11 HE1 PHE 11 29.935 10.548 24.447 95 HE2 PHE 11 HE2 PHE 11 26.954 7.520 24.755 96 HZ PHE 11 HZ PHE 11 29.298 8.139 24.370 97 H ILE 12 HN ILE 12 26.588 14.359 25.383 98 HA ILE 12 HA ILE 12 24.368 15.435 26.643 99 HB ILE 12 HB ILE 12 27.183 16.378 26.689 100 HG12 ILE 12 HG12 ILE 12 27.312 14.518 28.573 101 HG13 ILE 12 HG11 ILE 12 26.224 13.741 27.420 102 HG21 ILE 12 HG21 ILE 12 25.299 17.517 28.076 103 HG22 ILE 12 HG22 ILE 12 26.695 16.918 29.048 104 HG23 ILE 12 HG23 ILE 12 25.156 15.976 29.004 105 HD11 ILE 12 HD11 ILE 12 28.285 13.092 26.545 106 HD12 ILE 12 HD12 ILE 12 29.015 14.679 26.956 107 HD13 ILE 12 HD13 ILE 12 27.923 14.566 25.567 108 H LEU 13 HN LEU 13 26.671 15.614 24.429 109 HA LEU 13 HA LEU 13 26.438 18.404 23.918 110 HB2 LEU 13 HB2 LEU 13 28.174 16.074 24.378 111 HB3 LEU 13 HB1 LEU 13 28.769 17.229 23.048 112 HG LEU 13 HG LEU 13 29.492 18.777 24.594 113 HD11 LEU 13 HD11 LEU 13 26.762 18.385 25.960 114 HD12 LEU 13 HD12 LEU 13 27.312 19.778 24.959 115 HD13 LEU 13 HD13 LEU 13 28.026 19.505 26.595 116 HD21 LEU 13 HD21 LEU 13 29.008 17.505 27.139 117 HD22 LEU 13 HD22 LEU 13 30.506 17.449 26.131 118 HD23 LEU 13 HD23 LEU 13 29.235 16.197 25.922 119 H GLN 14 HN GLN 14 25.753 15.373 22.792 120 HA GLN 14 HA GLN 14 26.488 15.195 20.200 121 HB2 GLN 14 HB2 GLN 14 24.109 14.113 19.953 122 HB3 GLN 14 HB1 GLN 14 25.275 13.379 21.146 123 HG2 GLN 14 HG2 GLN 14 24.321 14.797 22.974 124 HG3 GLN 14 HG1 GLN 14 23.134 15.503 21.811 125 HE21 GLN 14 HE21 GLN 14 21.278 14.624 22.894 126 HE22 GLN 14 HE22 GLN 14 20.885 12.940 22.830 127 H ARG 15 HN ARG 15 24.045 17.270 21.588 128 HA ARG 15 HA ARG 15 22.725 17.718 19.155 129 HB2 ARG 15 HB2 ARG 15 21.419 19.369 20.420 130 HB3 ARG 15 HB1 ARG 15 21.626 17.857 21.379 131 HG2 ARG 15 HG2 ARG 15 23.527 18.867 22.623 132 HG3 ARG 15 HG1 ARG 15 23.378 20.375 21.664 133 HD2 ARG 15 HD2 ARG 15 21.107 19.249 23.449 134 HD3 ARG 15 HD1 ARG 15 22.285 20.538 23.964 135 HE ARG 15 HE ARG 15 21.165 21.374 21.478 136 HH11 ARG 15 HH11 ARG 15 20.150 20.617 24.807 137 HH12 ARG 15 HH12 ARG 15 18.823 21.729 24.821 138 HH21 ARG 15 HH21 ARG 15 19.361 22.888 21.495 139 HH22 ARG 15 HH22 ARG 15 18.366 23.042 22.904 140 H LYS 16 HN LYS 16 25.563 19.092 20.661 141 HA LYS 16 HA LYS 16 25.294 21.423 18.918 142 HB2 LYS 16 HB2 LYS 16 25.402 22.173 21.237 143 HB3 LYS 16 HB1 LYS 16 26.710 20.989 21.599 144 HG2 LYS 16 HG2 LYS 16 28.251 22.199 20.106 145 HG3 LYS 16 HG1 LYS 16 26.959 23.365 19.663 146 HD2 LYS 16 HD2 LYS 16 26.820 24.120 22.044 147 HD3 LYS 16 HD1 LYS 16 28.090 22.932 22.501 148 HE2 LYS 16 HE2 LYS 16 29.740 24.109 21.018 149 HE3 LYS 16 HE1 LYS 16 28.457 25.299 20.539 150 HZ1 LYS 16 HZ1 LYS 16 29.347 26.407 22.236 151 HZ2 LYS 16 HZ2 LYS 16 29.946 25.028 23.024 152 HZ3 LYS 16 HZ3 LYS 16 28.308 25.447 23.175 153 H LYS 17 HN LYS 17 27.331 18.994 20.378 154 HA LYS 17 HA LYS 17 29.328 19.445 18.268 155 HB2 LYS 17 HB2 LYS 17 29.361 18.177 21.036 156 HB3 LYS 17 HB1 LYS 17 30.646 17.759 19.838 157 HG2 LYS 17 HG2 LYS 17 31.226 20.194 19.628 158 HG3 LYS 17 HG1 LYS 17 29.955 20.596 20.834 159 HD2 LYS 17 HD2 LYS 17 31.138 19.371 22.591 160 HD3 LYS 17 HD1 LYS 17 32.316 18.707 21.409 161 HE2 LYS 17 HE2 LYS 17 33.341 20.582 22.684 162 HE3 LYS 17 HE1 LYS 17 33.139 21.066 20.949 163 HZ1 LYS 17 HZ1 LYS 17 31.745 22.651 21.519 164 HZ2 LYS 17 HZ2 LYS 17 32.269 22.430 23.120 165 HZ3 LYS 17 HZ3 LYS 17 30.853 21.667 22.577 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 29.086 2.227 37.087 2 H2 ALA 1 HT2 ALA 1 29.211 0.536 36.995 3 H3 ALA 1 HT3 ALA 1 28.247 1.252 38.196 4 HA ALA 1 HA ALA 1 27.400 0.331 35.808 5 HB1 ALA 1 HB1 ALA 1 26.020 0.714 37.887 6 HB2 ALA 1 HB2 ALA 1 25.222 1.417 36.429 7 HB3 ALA 1 HB3 ALA 1 26.100 2.490 37.583 8 H MET 2 HN MET 2 29.488 1.958 34.868 9 HA MET 2 HA MET 2 28.146 4.327 33.772 10 HB2 MET 2 HB2 MET 2 31.017 3.315 33.442 11 HB3 MET 2 HB1 MET 2 30.349 4.819 32.726 12 HG2 MET 2 HG2 MET 2 30.627 4.227 35.737 13 HG3 MET 2 HG1 MET 2 31.730 5.252 34.771 14 HE1 MET 2 HE1 MET 2 27.677 5.121 36.007 15 HE2 MET 2 HE2 MET 2 28.260 6.319 37.212 16 HE3 MET 2 HE3 MET 2 29.150 4.777 36.979 17 H ARG 3 HN ARG 3 26.849 3.809 32.228 18 HA ARG 3 HA ARG 3 27.479 1.817 30.364 19 HB2 ARG 3 HB2 ARG 3 25.118 2.503 30.771 20 HB3 ARG 3 HB1 ARG 3 25.587 4.207 30.398 21 HG2 ARG 3 HG2 ARG 3 25.994 3.707 28.083 22 HG3 ARG 3 HG1 ARG 3 25.841 1.933 28.356 23 HD2 ARG 3 HD2 ARG 3 23.758 2.813 27.290 24 HD3 ARG 3 HD1 ARG 3 23.384 2.292 28.992 25 HE ARG 3 HE ARG 3 24.146 5.095 28.940 26 HH11 ARG 3 HH11 ARG 3 21.555 2.808 28.079 27 HH12 ARG 3 HH12 ARG 3 20.270 3.952 28.269 28 HH21 ARG 3 HH21 ARG 3 22.397 6.654 29.199 29 HH22 ARG 3 HH22 ARG 3 20.757 6.176 28.916 30 H LEU 4 HN LEU 4 27.557 5.213 30.748 31 HA LEU 4 HA LEU 4 28.010 6.319 28.504 32 HB2 LEU 4 HB2 LEU 4 29.634 6.854 31.063 33 HB3 LEU 4 HB1 LEU 4 29.523 8.007 29.694 34 HG LEU 4 HG LEU 4 27.658 7.495 31.923 35 HD11 LEU 4 HD11 LEU 4 27.033 9.866 30.309 36 HD12 LEU 4 HD12 LEU 4 28.818 9.718 30.501 37 HD13 LEU 4 HD13 LEU 4 27.755 9.760 31.958 38 HD21 LEU 4 HD21 LEU 4 25.638 8.227 30.258 39 HD22 LEU 4 HD22 LEU 4 25.994 6.502 30.642 40 HD23 LEU 4 HD23 LEU 4 26.567 7.219 29.088 41 H SER 5 HN SER 5 29.006 5.358 26.861 42 HA SER 5 HA SER 5 31.658 4.217 27.240 43 HB2 SER 5 HB2 SER 5 29.922 2.902 25.943 44 HB3 SER 5 HB1 SER 5 29.915 4.214 24.703 45 HG SER 5 HG SER 5 32.014 2.469 25.461 46 H DPP 6 HN DPP 6 30.470 5.973 24.234 47 HA DPP 6 HA DPP 6 33.062 7.170 23.974 48 HB2 DPP 6 HB2 DPP 6 31.195 6.634 22.018 49 HB3 DPP 6 HB3 DPP 6 32.341 8.010 21.835 50 H PHE 7 HN PHE 7 31.725 7.747 26.562 51 HA PHE 7 HA PHE 7 30.229 9.972 26.194 52 HB2 PHE 7 HB2 PHE 7 30.865 8.667 28.596 53 HB3 PHE 7 HB1 PHE 7 31.038 10.481 28.748 54 HD1 PHE 7 HD1 PHE 7 28.806 7.802 27.753 55 HD2 PHE 7 HD2 PHE 7 29.330 11.923 28.266 56 HE1 PHE 7 HE1 PHE 7 26.432 8.163 27.479 57 HE2 PHE 7 HE2 PHE 7 26.998 12.281 27.958 58 HZ PHE 7 HZ PHE 7 25.619 10.391 27.635 59 H PHE 8 HN PHE 8 30.065 11.659 26.568 60 HA PHE 8 HA PHE 8 30.238 13.606 26.683 61 HB2 PHE 8 HB2 PHE 8 33.013 13.045 27.796 62 HB3 PHE 8 HB1 PHE 8 32.655 14.753 27.232 63 HD1 PHE 8 HD1 PHE 8 31.703 12.079 29.491 64 HD2 PHE 8 HD2 PHE 8 30.816 15.842 27.841 65 HE1 PHE 8 HE1 PHE 8 29.673 12.138 30.795 66 HE2 PHE 8 HE2 PHE 8 28.835 15.997 29.125 67 HZ PHE 8 HZ PHE 8 28.233 14.141 30.653 68 H ARG 9 HN ARG 9 30.256 15.102 25.796 69 HA ARG 9 HA ARG 9 29.948 16.257 24.215 70 HB2 ARG 9 HB2 ARG 9 32.681 15.694 23.026 71 HB3 ARG 9 HB1 ARG 9 31.705 17.187 22.805 72 HG2 ARG 9 HG2 ARG 9 32.669 18.131 24.627 73 HG3 ARG 9 HG1 ARG 9 32.061 16.790 25.670 74 HD2 ARG 9 HD2 ARG 9 34.735 16.860 24.104 75 HD3 ARG 9 HD1 ARG 9 34.493 16.828 25.913 76 HE ARG 9 HE ARG 9 33.082 14.594 24.742 77 HH11 ARG 9 HH11 ARG 9 36.390 15.862 25.317 78 HH12 ARG 9 HH12 ARG 9 37.140 14.305 25.419 79 HH21 ARG 9 HH21 ARG 9 34.124 12.480 24.885 80 HH22 ARG 9 HH22 ARG 9 35.829 12.347 25.169 81 H GLN 10 HN GLN 10 28.619 14.137 23.996 82 HA GLN 10 HA GLN 10 28.459 13.779 21.273 83 HB2 GLN 10 HB2 GLN 10 30.441 12.500 21.430 84 HB3 GLN 10 HB1 GLN 10 30.069 12.142 23.157 85 HG2 GLN 10 HG2 GLN 10 28.413 10.425 22.459 86 HG3 GLN 10 HG1 GLN 10 28.701 10.786 20.719 87 HE21 GLN 10 HE21 GLN 10 29.460 8.335 22.827 88 H PHE 11 HN PHE 11 27.211 13.856 24.298 89 HA PHE 11 HA PHE 11 24.933 12.217 23.530 90 HB2 PHE 11 HB2 PHE 11 26.319 12.507 26.162 91 HB3 PHE 11 HB1 PHE 11 24.879 11.431 25.854 92 HD1 PHE 11 HD1 PHE 11 28.280 12.304 24.941 93 HD2 PHE 11 HD2 PHE 11 25.271 9.316 25.210 94 HE1 PHE 11 HE1 PHE 11 29.894 10.588 24.473 95 HE2 PHE 11 HE2 PHE 11 26.903 7.571 24.784 96 HZ PHE 11 HZ PHE 11 29.247 8.181 24.391 97 H ILE 12 HN ILE 12 26.567 14.408 25.434 98 HA ILE 12 HA ILE 12 24.358 15.493 26.704 99 HB ILE 12 HB ILE 12 27.175 16.430 26.729 100 HG12 ILE 12 HG12 ILE 12 27.315 14.571 28.614 101 HG13 ILE 12 HG11 ILE 12 26.216 13.795 27.471 102 HG21 ILE 12 HG21 ILE 12 26.706 16.976 29.089 103 HG22 ILE 12 HG22 ILE 12 25.166 16.035 29.060 104 HG23 ILE 12 HG23 ILE 12 25.302 17.574 28.127 105 HD11 ILE 12 HD11 ILE 12 28.270 13.141 26.582 106 HD12 ILE 12 HD12 ILE 12 29.007 14.729 26.983 107 HD13 ILE 12 HD13 ILE 12 27.903 14.615 25.603 108 H LEU 13 HN LEU 13 26.641 15.652 24.472 109 HA LEU 13 HA LEU 13 26.408 18.434 23.926 110 HB2 LEU 13 HB2 LEU 13 28.147 16.113 24.410 111 HB3 LEU 13 HB1 LEU 13 28.735 17.254 23.067 112 HG LEU 13 HG LEU 13 29.466 18.815 24.592 113 HD11 LEU 13 HD11 LEU 13 27.285 19.821 24.948 114 HD12 LEU 13 HD12 LEU 13 28.008 19.576 26.584 115 HD13 LEU 13 HD13 LEU 13 26.741 18.445 25.974 116 HD21 LEU 13 HD21 LEU 13 29.216 16.253 25.951 117 HD22 LEU 13 HD22 LEU 13 28.984 17.574 27.154 118 HD23 LEU 13 HD23 LEU 13 30.484 17.512 26.148 119 H GLN 14 HN GLN 14 25.690 15.397 22.859 120 HA GLN 14 HA GLN 14 26.412 15.129 20.280 121 HB2 GLN 14 HB2 GLN 14 23.991 14.132 20.056 122 HB3 GLN 14 HB1 GLN 14 25.133 13.384 21.263 123 HG2 GLN 14 HG2 GLN 14 24.237 14.881 23.061 124 HG3 GLN 14 HG1 GLN 14 23.071 15.598 21.882 125 HE21 GLN 14 HE21 GLN 14 21.189 14.811 22.988 126 HE22 GLN 14 HE22 GLN 14 20.740 13.140 22.971 127 H ARG 15 HN ARG 15 24.019 17.317 21.589 128 HA ARG 15 HA ARG 15 22.738 17.746 19.136 129 HB2 ARG 15 HB2 ARG 15 21.498 19.494 20.339 130 HB3 ARG 15 HB1 ARG 15 21.636 18.007 21.348 131 HG2 ARG 15 HG2 ARG 15 23.565 18.971 22.576 132 HG3 ARG 15 HG1 ARG 15 23.499 20.450 21.563 133 HD2 ARG 15 HD2 ARG 15 21.160 19.500 23.362 134 HD3 ARG 15 HD1 ARG 15 22.393 20.749 23.843 135 HE ARG 15 HE ARG 15 21.341 21.547 21.317 136 HH11 ARG 15 HH11 ARG 15 20.254 20.959 24.658 137 HH12 ARG 15 HH12 ARG 15 18.983 22.134 24.615 138 HH21 ARG 15 HH21 ARG 15 19.613 23.147 21.258 139 HH22 ARG 15 HH22 ARG 15 18.612 23.400 22.649 140 H LYS 16 HN LYS 16 25.609 19.055 20.630 141 HA LYS 16 HA LYS 16 25.469 21.339 18.814 142 HB2 LYS 16 HB2 LYS 16 25.620 22.135 21.117 143 HB3 LYS 16 HB1 LYS 16 26.874 20.900 21.501 144 HG2 LYS 16 HG2 LYS 16 28.475 21.998 20.016 145 HG3 LYS 16 HG1 LYS 16 27.237 23.184 19.477 146 HD2 LYS 16 HD2 LYS 16 27.065 24.059 21.824 147 HD3 LYS 16 HD1 LYS 16 28.304 22.872 22.356 148 HE2 LYS 16 HE2 LYS 16 28.790 25.060 20.221 149 HE3 LYS 16 HE1 LYS 16 29.253 25.192 21.969 150 HZ1 LYS 16 HZ1 LYS 16 30.334 22.859 21.342 151 HZ2 LYS 16 HZ2 LYS 16 31.136 24.346 21.177 152 HZ3 LYS 16 HZ3 LYS 16 30.418 23.613 19.823 153 H LYS 17 HN LYS 17 27.390 18.852 20.344 154 HA LYS 17 HA LYS 17 29.486 19.203 18.340 155 HB2 LYS 17 HB2 LYS 17 29.178 17.647 20.940 156 HB3 LYS 17 HB1 LYS 17 30.470 17.182 19.771 157 HG2 LYS 17 HG2 LYS 17 30.123 20.021 20.917 158 HG3 LYS 17 HG1 LYS 17 31.200 18.776 21.635 159 HD2 LYS 17 HD2 LYS 17 32.447 18.634 19.443 160 HD3 LYS 17 HD1 LYS 17 31.400 19.938 18.785 161 HE2 LYS 17 HE2 LYS 17 32.234 21.513 20.558 162 HE3 LYS 17 HE1 LYS 17 33.290 20.196 21.222 163 HZ1 LYS 17 HZ1 LYS 17 34.668 20.317 19.464 164 HZ2 LYS 17 HZ2 LYS 17 34.139 21.930 19.481 165 HZ3 LYS 17 HZ3 LYS 17 33.478 20.833 18.367 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 28.421 1.523 37.128 2 H2 ALA 1 HT2 ALA 1 26.848 0.894 37.255 3 H3 ALA 1 HT3 ALA 1 27.535 1.730 38.563 4 HA ALA 1 HA ALA 1 25.892 2.783 36.728 5 HB1 ALA 1 HB1 ALA 1 26.457 3.726 38.999 6 HB2 ALA 1 HB2 ALA 1 26.557 4.995 37.721 7 HB3 ALA 1 HB3 ALA 1 28.066 4.238 38.361 8 H MET 2 HN MET 2 27.677 1.532 34.950 9 HA MET 2 HA MET 2 28.676 3.910 33.554 10 HB2 MET 2 HB2 MET 2 30.143 1.215 33.804 11 HB3 MET 2 HB1 MET 2 30.567 2.507 32.624 12 HG2 MET 2 HG2 MET 2 31.097 4.071 34.459 13 HG3 MET 2 HG1 MET 2 30.562 2.874 35.680 14 HE1 MET 2 HE1 MET 2 32.942 2.311 32.305 15 HE2 MET 2 HE2 MET 2 34.344 3.100 33.106 16 HE3 MET 2 HE3 MET 2 32.778 3.972 32.973 17 H ARG 3 HN ARG 3 29.034 3.467 31.274 18 HA ARG 3 HA ARG 3 28.023 1.392 29.873 19 HB2 ARG 3 HB2 ARG 3 25.731 1.801 30.713 20 HB3 ARG 3 HB1 ARG 3 26.024 3.584 30.619 21 HG2 ARG 3 HG2 ARG 3 26.073 3.544 28.207 22 HG3 ARG 3 HG1 ARG 3 25.991 1.749 28.164 23 HD2 ARG 3 HD2 ARG 3 23.759 3.505 29.401 24 HD3 ARG 3 HD1 ARG 3 23.750 2.944 27.673 25 HE ARG 3 HE ARG 3 23.284 1.278 30.080 26 HH11 ARG 3 HH11 ARG 3 24.189 1.416 26.632 27 HH12 ARG 3 HH12 ARG 3 23.726 -0.217 26.289 28 HH21 ARG 3 HH21 ARG 3 22.659 -0.939 29.610 29 HH22 ARG 3 HH22 ARG 3 22.842 -1.577 28.011 30 H LEU 4 HN LEU 4 28.164 4.698 30.670 31 HA LEU 4 HA LEU 4 28.044 6.001 28.378 32 HB2 LEU 4 HB2 LEU 4 29.750 6.560 30.871 33 HB3 LEU 4 HB1 LEU 4 29.595 7.743 29.531 34 HG LEU 4 HG LEU 4 27.785 7.171 31.767 35 HD11 LEU 4 HD11 LEU 4 28.780 9.420 30.280 36 HD12 LEU 4 HD12 LEU 4 27.716 9.438 31.737 37 HD13 LEU 4 HD13 LEU 4 26.989 9.448 30.088 38 HD21 LEU 4 HD21 LEU 4 26.283 5.934 30.411 39 HD22 LEU 4 HD22 LEU 4 26.594 6.937 28.940 40 HD23 LEU 4 HD23 LEU 4 25.641 7.615 30.310 41 H SER 5 HN SER 5 28.978 5.051 26.646 42 HA SER 5 HA SER 5 31.924 4.871 26.629 43 HB2 SER 5 HB2 SER 5 30.823 2.630 26.194 44 HB3 SER 5 HB1 SER 5 29.902 3.380 24.832 45 HG SER 5 HG SER 5 31.598 3.274 23.647 46 H DPP 6 HN DPP 6 33.037 6.080 25.064 47 HA DPP 6 HA DPP 6 33.380 7.604 23.478 48 HB2 DPP 6 HB2 DPP 6 31.010 6.453 22.252 49 HB3 DPP 6 HB3 DPP 6 32.116 7.651 21.488 50 H PHE 7 HN PHE 7 31.893 7.686 26.303 51 HA PHE 7 HA PHE 7 30.278 9.840 26.042 52 HB2 PHE 7 HB2 PHE 7 30.911 8.431 28.377 53 HB3 PHE 7 HB1 PHE 7 31.048 10.238 28.641 54 HD1 PHE 7 HD1 PHE 7 28.851 7.561 27.584 55 HD2 PHE 7 HD2 PHE 7 29.321 11.692 28.135 56 HE1 PHE 7 HE1 PHE 7 26.471 7.892 27.343 57 HE2 PHE 7 HE2 PHE 7 26.979 12.019 27.851 58 HZ PHE 7 HZ PHE 7 25.629 10.107 27.527 59 H PHE 8 HN PHE 8 30.044 11.519 26.462 60 HA PHE 8 HA PHE 8 30.168 13.464 26.687 61 HB2 PHE 8 HB2 PHE 8 32.946 12.921 27.805 62 HB3 PHE 8 HB1 PHE 8 32.553 14.644 27.310 63 HD1 PHE 8 HD1 PHE 8 31.643 11.852 29.441 64 HD2 PHE 8 HD2 PHE 8 30.689 15.660 27.942 65 HE1 PHE 8 HE1 PHE 8 29.598 11.809 30.720 66 HE2 PHE 8 HE2 PHE 8 28.690 15.715 29.201 67 HZ PHE 8 HZ PHE 8 28.111 13.781 30.641 68 H ARG 9 HN ARG 9 30.153 14.983 25.838 69 HA ARG 9 HA ARG 9 29.850 16.178 24.291 70 HB2 ARG 9 HB2 ARG 9 32.610 15.695 23.130 71 HB3 ARG 9 HB1 ARG 9 31.607 17.172 22.920 72 HG2 ARG 9 HG2 ARG 9 32.504 18.101 24.782 73 HG3 ARG 9 HG1 ARG 9 31.927 16.715 25.783 74 HD2 ARG 9 HD2 ARG 9 34.611 16.893 24.243 75 HD3 ARG 9 HD1 ARG 9 34.358 16.843 26.051 76 HE ARG 9 HE ARG 9 33.026 14.574 24.837 77 HH11 ARG 9 HH11 ARG 9 36.277 15.939 25.513 78 HH12 ARG 9 HH12 ARG 9 37.069 14.405 25.638 79 HH21 ARG 9 HH21 ARG 9 34.126 12.491 25.014 80 HH22 ARG 9 HH22 ARG 9 35.824 12.409 25.350 81 H GLN 10 HN GLN 10 28.578 14.026 24.006 82 HA GLN 10 HA GLN 10 28.464 13.739 21.271 83 HB2 GLN 10 HB2 GLN 10 30.458 12.468 21.426 84 HB3 GLN 10 HB1 GLN 10 30.068 12.075 23.141 85 HG2 GLN 10 HG2 GLN 10 28.429 10.356 22.386 86 HG3 GLN 10 HG1 GLN 10 28.736 10.752 20.659 87 HE21 GLN 10 HE21 GLN 10 29.465 8.298 22.792 88 H PHE 11 HN PHE 11 27.162 13.733 24.272 89 HA PHE 11 HA PHE 11 24.923 12.075 23.438 90 HB2 PHE 11 HB2 PHE 11 26.256 12.334 26.100 91 HB3 PHE 11 HB1 PHE 11 24.846 11.234 25.739 92 HD1 PHE 11 HD1 PHE 11 28.238 12.211 24.896 93 HD2 PHE 11 HD2 PHE 11 25.308 9.137 25.073 94 HE1 PHE 11 HE1 PHE 11 29.898 10.558 24.417 95 HE2 PHE 11 HE2 PHE 11 27.003 7.453 24.637 96 HZ PHE 11 HZ PHE 11 29.322 8.160 24.296 97 H ILE 12 HN ILE 12 26.491 14.235 25.426 98 HA ILE 12 HA ILE 12 24.250 15.243 26.699 99 HB ILE 12 HB ILE 12 27.049 16.224 26.799 100 HG12 ILE 12 HG12 ILE 12 27.201 14.308 28.621 101 HG13 ILE 12 HG11 ILE 12 26.136 13.546 27.439 102 HG21 ILE 12 HG21 ILE 12 26.532 16.638 29.191 103 HG22 ILE 12 HG22 ILE 12 24.980 15.727 29.060 104 HG23 ILE 12 HG23 ILE 12 25.173 17.308 28.210 105 HD11 ILE 12 HD11 ILE 12 28.908 14.558 27.015 106 HD12 ILE 12 HD12 ILE 12 27.821 14.461 25.620 107 HD13 ILE 12 HD13 ILE 12 28.219 12.969 26.564 108 H LEU 13 HN LEU 13 26.566 15.525 24.504 109 HA LEU 13 HA LEU 13 26.293 18.328 24.084 110 HB2 LEU 13 HB2 LEU 13 28.064 16.022 24.495 111 HB3 LEU 13 HB1 LEU 13 28.655 17.229 23.213 112 HG LEU 13 HG LEU 13 29.327 18.739 24.815 113 HD11 LEU 13 HD11 LEU 13 27.120 19.676 25.196 114 HD12 LEU 13 HD12 LEU 13 27.831 19.366 26.826 115 HD13 LEU 13 HD13 LEU 13 26.598 18.238 26.146 116 HD21 LEU 13 HD21 LEU 13 29.139 16.107 26.028 117 HD22 LEU 13 HD22 LEU 13 28.836 17.344 27.303 118 HD23 LEU 13 HD23 LEU 13 30.355 17.396 26.328 119 H GLN 14 HN GLN 14 25.647 15.342 22.851 120 HA GLN 14 HA GLN 14 26.461 15.215 20.283 121 HB2 GLN 14 HB2 GLN 14 24.059 14.186 19.944 122 HB3 GLN 14 HB1 GLN 14 25.201 13.397 21.129 123 HG2 GLN 14 HG2 GLN 14 24.239 14.709 22.999 124 HG3 GLN 14 HG1 GLN 14 23.136 15.570 21.868 125 HE21 GLN 14 HE21 GLN 14 23.997 12.067 21.590 126 HE22 GLN 14 HE22 GLN 14 22.402 11.467 21.892 127 H ARG 15 HN ARG 15 23.994 17.292 21.630 128 HA ARG 15 HA ARG 15 22.765 17.818 19.172 129 HB2 ARG 15 HB2 ARG 15 21.466 19.483 20.422 130 HB3 ARG 15 HB1 ARG 15 21.614 17.959 21.373 131 HG2 ARG 15 HG2 ARG 15 23.515 18.919 22.664 132 HG3 ARG 15 HG1 ARG 15 23.405 20.441 21.723 133 HD2 ARG 15 HD2 ARG 15 21.087 19.324 23.453 134 HD3 ARG 15 HD1 ARG 15 22.270 20.594 24.001 135 HE ARG 15 HE ARG 15 21.206 21.469 21.506 136 HH11 ARG 15 HH11 ARG 15 20.119 20.688 24.807 137 HH12 ARG 15 HH12 ARG 15 18.803 21.812 24.808 138 HH21 ARG 15 HH21 ARG 15 19.416 23.001 21.505 139 HH22 ARG 15 HH22 ARG 15 18.396 23.150 22.896 140 H LYS 16 HN LYS 16 25.574 19.098 20.803 141 HA LYS 16 HA LYS 16 25.458 21.456 19.084 142 HB2 LYS 16 HB2 LYS 16 25.537 22.153 21.421 143 HB3 LYS 16 HB1 LYS 16 26.789 20.911 21.789 144 HG2 LYS 16 HG2 LYS 16 28.411 22.089 20.355 145 HG3 LYS 16 HG1 LYS 16 27.175 23.316 19.911 146 HD2 LYS 16 HD2 LYS 16 27.017 24.022 22.308 147 HD3 LYS 16 HD1 LYS 16 28.233 22.776 22.758 148 HE2 LYS 16 HE2 LYS 16 29.952 23.922 21.330 149 HE3 LYS 16 HE1 LYS 16 28.724 25.172 20.861 150 HZ1 LYS 16 HZ1 LYS 16 28.732 24.951 23.642 151 HZ2 LYS 16 HZ2 LYS 16 29.239 26.248 22.673 152 HZ3 LYS 16 HZ3 LYS 16 30.350 25.051 23.139 153 H LYS 17 HN LYS 17 27.380 18.931 20.560 154 HA LYS 17 HA LYS 17 29.521 19.409 18.632 155 HB2 LYS 17 HB2 LYS 17 29.182 17.895 21.223 156 HB3 LYS 17 HB1 LYS 17 30.382 17.240 20.051 157 HG2 LYS 17 HG2 LYS 17 30.367 20.159 21.037 158 HG3 LYS 17 HG1 LYS 17 31.318 18.850 21.815 159 HD2 LYS 17 HD2 LYS 17 31.579 19.626 18.844 160 HD3 LYS 17 HD1 LYS 17 32.600 20.313 20.153 161 HE2 LYS 17 HE2 LYS 17 33.379 17.963 20.732 162 HE3 LYS 17 HE1 LYS 17 32.422 17.336 19.325 163 HZ1 LYS 17 HZ1 LYS 17 33.816 19.305 18.196 164 HZ2 LYS 17 HZ2 LYS 17 34.323 17.687 18.272 165 HZ3 LYS 17 HZ3 LYS 17 34.912 18.816 19.396 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 25.039 1.667 36.792 2 H2 ALA 1 HT2 ALA 1 24.832 2.629 35.406 3 H3 ALA 1 HT3 ALA 1 23.976 2.991 36.827 4 HA ALA 1 HA ALA 1 25.551 4.426 37.272 5 HB1 ALA 1 HB1 ALA 1 27.642 3.465 38.327 6 HB2 ALA 1 HB2 ALA 1 27.221 1.858 37.617 7 HB3 ALA 1 HB3 ALA 1 26.157 2.597 38.871 8 H MET 2 HN MET 2 26.887 1.897 35.050 9 HA MET 2 HA MET 2 28.218 4.107 33.641 10 HB2 MET 2 HB2 MET 2 29.362 1.273 34.004 11 HB3 MET 2 HB1 MET 2 30.077 2.589 33.007 12 HG2 MET 2 HG2 MET 2 29.694 2.669 36.063 13 HG3 MET 2 HG1 MET 2 31.225 2.274 35.220 14 HE1 MET 2 HE1 MET 2 30.765 4.467 37.491 15 HE2 MET 2 HE2 MET 2 31.915 5.709 36.883 16 HE3 MET 2 HE3 MET 2 32.325 3.963 36.750 17 H ARG 3 HN ARG 3 28.726 3.546 31.431 18 HA ARG 3 HA ARG 3 27.657 1.498 30.021 19 HB2 ARG 3 HB2 ARG 3 25.350 2.189 30.589 20 HB3 ARG 3 HB1 ARG 3 25.843 3.924 30.440 21 HG2 ARG 3 HG2 ARG 3 26.094 3.774 28.067 22 HG3 ARG 3 HG1 ARG 3 25.938 1.984 28.076 23 HD2 ARG 3 HD2 ARG 3 23.807 3.066 27.276 24 HD3 ARG 3 HD1 ARG 3 23.528 2.213 28.856 25 HE ARG 3 HE ARG 3 23.229 4.321 29.906 26 HH11 ARG 3 HH11 ARG 3 24.497 4.685 26.593 27 HH12 ARG 3 HH12 ARG 3 24.250 6.397 26.524 28 HH21 ARG 3 HH21 ARG 3 22.894 6.645 29.808 29 HH22 ARG 3 HH22 ARG 3 23.325 7.530 28.383 30 H LEU 4 HN LEU 4 28.053 4.821 30.672 31 HA LEU 4 HA LEU 4 28.325 5.987 28.334 32 HB2 LEU 4 HB2 LEU 4 29.908 6.513 30.921 33 HB3 LEU 4 HB1 LEU 4 29.856 7.663 29.545 34 HG LEU 4 HG LEU 4 27.920 7.195 31.720 35 HD11 LEU 4 HD11 LEU 4 28.024 9.461 31.734 36 HD12 LEU 4 HD12 LEU 4 27.382 9.557 30.052 37 HD13 LEU 4 HD13 LEU 4 29.154 9.388 30.329 38 HD21 LEU 4 HD21 LEU 4 26.898 6.944 28.850 39 HD22 LEU 4 HD22 LEU 4 25.945 7.918 30.025 40 HD23 LEU 4 HD23 LEU 4 26.302 6.187 30.377 41 H SER 5 HN SER 5 29.329 5.005 26.706 42 HA SER 5 HA SER 5 31.938 3.803 27.081 43 HB2 SER 5 HB2 SER 5 31.659 3.253 24.529 44 HB3 SER 5 HB1 SER 5 30.548 2.429 25.692 45 HG SER 5 HG SER 5 29.058 3.270 24.543 46 H DPP 6 HN DPP 6 30.944 5.636 24.077 47 HA DPP 6 HA DPP 6 33.574 6.777 23.947 48 HB2 DPP 6 HB2 DPP 6 31.790 6.305 21.904 49 HB3 DPP 6 HB3 DPP 6 32.964 7.664 21.790 50 H PHE 7 HN PHE 7 32.126 7.365 26.477 51 HA PHE 7 HA PHE 7 30.703 9.628 26.071 52 HB2 PHE 7 HB2 PHE 7 31.225 8.290 28.484 53 HB3 PHE 7 HB1 PHE 7 31.423 10.100 28.658 54 HD1 PHE 7 HD1 PHE 7 29.174 7.465 27.588 55 HD2 PHE 7 HD2 PHE 7 29.768 11.579 28.096 56 HE1 PHE 7 HE1 PHE 7 26.820 7.874 27.233 57 HE2 PHE 7 HE2 PHE 7 27.456 11.983 27.709 58 HZ PHE 7 HZ PHE 7 26.051 10.120 27.347 59 H PHE 8 HN PHE 8 30.561 11.309 26.446 60 HA PHE 8 HA PHE 8 30.762 13.247 26.575 61 HB2 PHE 8 HB2 PHE 8 33.470 12.638 27.812 62 HB3 PHE 8 HB1 PHE 8 33.170 14.353 27.234 63 HD1 PHE 8 HD1 PHE 8 32.070 11.697 29.445 64 HD2 PHE 8 HD2 PHE 8 31.316 15.472 27.751 65 HE1 PHE 8 HE1 PHE 8 29.981 11.789 30.653 66 HE2 PHE 8 HE2 PHE 8 29.278 15.657 28.944 67 HZ PHE 8 HZ PHE 8 28.578 13.814 30.438 68 H ARG 9 HN ARG 9 30.850 14.745 25.694 69 HA ARG 9 HA ARG 9 30.628 15.901 24.117 70 HB2 ARG 9 HB2 ARG 9 33.411 15.324 23.067 71 HB3 ARG 9 HB1 ARG 9 32.445 16.810 22.761 72 HG2 ARG 9 HG2 ARG 9 33.316 17.787 24.609 73 HG3 ARG 9 HG1 ARG 9 32.606 16.487 25.642 74 HD2 ARG 9 HD2 ARG 9 35.399 16.498 24.299 75 HD3 ARG 9 HD1 ARG 9 35.000 16.464 26.080 76 HE ARG 9 HE ARG 9 33.666 14.248 24.806 77 HH11 ARG 9 HH11 ARG 9 36.946 15.481 25.587 78 HH12 ARG 9 HH12 ARG 9 37.674 13.917 25.725 79 HH21 ARG 9 HH21 ARG 9 34.680 12.121 24.997 80 HH22 ARG 9 HH22 ARG 9 36.364 11.972 25.383 81 H GLN 10 HN GLN 10 29.236 13.853 23.789 82 HA GLN 10 HA GLN 10 29.216 13.497 21.064 83 HB2 GLN 10 HB2 GLN 10 31.152 12.170 21.303 84 HB3 GLN 10 HB1 GLN 10 30.703 11.823 23.014 85 HG2 GLN 10 HG2 GLN 10 29.045 10.133 22.249 86 HG3 GLN 10 HG1 GLN 10 29.406 10.490 20.522 87 HE21 GLN 10 HE21 GLN 10 30.052 8.031 22.671 88 H PHE 11 HN PHE 11 27.851 13.509 24.068 89 HA PHE 11 HA PHE 11 25.587 11.895 23.196 90 HB2 PHE 11 HB2 PHE 11 26.869 12.220 25.875 91 HB3 PHE 11 HB1 PHE 11 25.429 11.155 25.530 92 HD1 PHE 11 HD1 PHE 11 28.868 11.985 24.695 93 HD2 PHE 11 HD2 PHE 11 25.821 9.029 24.940 94 HE1 PHE 11 HE1 PHE 11 30.473 10.239 24.297 95 HE2 PHE 11 HE2 PHE 11 27.441 7.261 24.579 96 HZ PHE 11 HZ PHE 11 29.799 7.839 24.232 97 H ILE 12 HN ILE 12 27.142 14.053 25.183 98 HA ILE 12 HA ILE 12 24.899 15.245 26.283 99 HB ILE 12 HB ILE 12 27.726 16.124 26.461 100 HG12 ILE 12 HG12 ILE 12 27.773 14.278 28.353 101 HG13 ILE 12 HG11 ILE 12 26.716 13.496 27.174 102 HG21 ILE 12 HG21 ILE 12 27.142 16.682 28.792 103 HG22 ILE 12 HG22 ILE 12 25.602 15.748 28.691 104 HG23 ILE 12 HG23 ILE 12 25.789 17.284 27.760 105 HD11 ILE 12 HD11 ILE 12 29.535 14.407 26.788 106 HD12 ILE 12 HD12 ILE 12 28.480 14.304 25.367 107 HD13 ILE 12 HD13 ILE 12 28.802 12.827 26.363 108 H LEU 13 HN LEU 13 27.315 15.261 24.191 109 HA LEU 13 HA LEU 13 27.109 18.010 23.503 110 HB2 LEU 13 HB2 LEU 13 28.845 15.778 24.243 111 HB3 LEU 13 HB1 LEU 13 29.512 16.866 22.906 112 HG LEU 13 HG LEU 13 30.093 18.513 24.389 113 HD11 LEU 13 HD11 LEU 13 27.802 19.399 24.523 114 HD12 LEU 13 HD12 LEU 13 28.520 19.399 26.180 115 HD13 LEU 13 HD13 LEU 13 27.332 18.128 25.706 116 HD21 LEU 13 HD21 LEU 13 29.920 15.998 25.821 117 HD22 LEU 13 HD22 LEU 13 29.459 17.311 26.969 118 HD23 LEU 13 HD23 LEU 13 31.045 17.373 26.106 119 H GLN 14 HN GLN 14 25.353 16.601 22.249 120 HA GLN 14 HA GLN 14 26.613 16.076 19.650 121 HB2 GLN 14 HB2 GLN 14 24.656 14.292 19.506 122 HB3 GLN 14 HB1 GLN 14 26.198 13.849 20.391 123 HG2 GLN 14 HG2 GLN 14 25.279 14.416 22.516 124 HG3 GLN 14 HG1 GLN 14 23.807 15.173 21.788 125 HE21 GLN 14 HE21 GLN 14 25.397 12.080 20.720 126 HE22 GLN 14 HE22 GLN 14 24.027 11.067 21.032 127 H ARG 15 HN ARG 15 23.896 17.017 21.626 128 HA ARG 15 HA ARG 15 22.341 17.568 19.321 129 HB2 ARG 15 HB2 ARG 15 20.555 18.120 20.881 130 HB3 ARG 15 HB1 ARG 15 21.374 16.618 21.448 131 HG2 ARG 15 HG2 ARG 15 22.906 18.257 22.839 132 HG3 ARG 15 HG1 ARG 15 21.598 19.457 22.554 133 HD2 ARG 15 HD2 ARG 15 21.125 18.382 24.710 134 HD3 ARG 15 HD1 ARG 15 19.932 17.694 23.518 135 HE ARG 15 HE ARG 15 22.381 16.100 23.635 136 HH11 ARG 15 HH11 ARG 15 19.313 16.860 25.277 137 HH12 ARG 15 HH12 ARG 15 19.164 15.313 26.042 138 HH21 ARG 15 HH21 ARG 15 22.185 14.002 24.672 139 HH22 ARG 15 HH22 ARG 15 20.824 13.659 25.691 140 H LYS 16 HN LYS 16 24.631 19.110 21.375 141 HA LYS 16 HA LYS 16 23.645 21.770 20.627 142 HB2 LYS 16 HB2 LYS 16 25.937 21.011 22.537 143 HB3 LYS 16 HB1 LYS 16 25.202 22.648 22.334 144 HG2 LYS 16 HG2 LYS 16 23.023 21.752 23.198 145 HG3 LYS 16 HG1 LYS 16 23.807 20.150 23.422 146 HD2 LYS 16 HD2 LYS 16 25.428 21.161 25.037 147 HD3 LYS 16 HD1 LYS 16 24.655 22.768 24.812 148 HE2 LYS 16 HE2 LYS 16 22.498 21.870 25.733 149 HE3 LYS 16 HE1 LYS 16 23.272 20.245 25.953 150 HZ1 LYS 16 HZ1 LYS 16 24.406 20.953 27.714 151 HZ2 LYS 16 HZ2 LYS 16 23.189 22.134 27.807 152 HZ3 LYS 16 HZ3 LYS 16 24.687 22.511 27.101 153 H LYS 17 HN LYS 17 25.979 19.305 20.421 154 HA LYS 17 HA LYS 17 27.624 20.972 18.629 155 HB2 LYS 17 HB2 LYS 17 28.281 18.531 20.346 156 HB3 LYS 17 HB1 LYS 17 29.378 19.092 19.031 157 HG2 LYS 17 HG2 LYS 17 29.547 21.336 20.160 158 HG3 LYS 17 HG1 LYS 17 28.486 20.736 21.483 159 HD2 LYS 17 HD2 LYS 17 30.168 18.968 22.033 160 HD3 LYS 17 HD1 LYS 17 31.224 19.553 20.702 161 HE2 LYS 17 HE2 LYS 17 31.446 21.779 21.848 162 HE3 LYS 17 HE1 LYS 17 30.377 21.190 23.189 163 HZ1 LYS 17 HZ1 LYS 17 32.487 19.361 22.667 164 HZ2 LYS 17 HZ2 LYS 17 32.079 20.182 24.096 165 HZ3 LYS 17 HZ3 LYS 17 33.102 20.916 22.957 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 27.942 1.666 37.082 2 H2 ALA 1 HT2 ALA 1 26.347 1.106 37.258 3 H3 ALA 1 HT3 ALA 1 27.072 2.009 38.500 4 HA ALA 1 HA ALA 1 25.491 2.954 36.505 5 HB1 ALA 1 HB1 ALA 1 25.867 3.985 38.775 6 HB2 ALA 1 HB2 ALA 1 26.077 5.205 37.463 7 HB3 ALA 1 HB3 ALA 1 27.524 4.473 38.256 8 H MET 2 HN MET 2 27.272 1.679 34.838 9 HA MET 2 HA MET 2 28.502 3.991 33.515 10 HB2 MET 2 HB2 MET 2 29.771 1.202 33.821 11 HB3 MET 2 HB1 MET 2 30.346 2.476 32.686 12 HG2 MET 2 HG2 MET 2 30.871 3.982 34.569 13 HG3 MET 2 HG1 MET 2 30.185 2.814 35.741 14 HE1 MET 2 HE1 MET 2 34.125 2.803 33.402 15 HE2 MET 2 HE2 MET 2 32.637 3.789 33.191 16 HE3 MET 2 HE3 MET 2 32.720 2.129 32.506 17 H ARG 3 HN ARG 3 28.946 3.538 31.257 18 HA ARG 3 HA ARG 3 27.875 1.520 29.802 19 HB2 ARG 3 HB2 ARG 3 25.572 2.112 30.478 20 HB3 ARG 3 HB1 ARG 3 26.012 3.865 30.414 21 HG2 ARG 3 HG2 ARG 3 26.173 3.864 28.028 22 HG3 ARG 3 HG1 ARG 3 26.071 2.072 27.935 23 HD2 ARG 3 HD2 ARG 3 23.880 3.085 27.280 24 HD3 ARG 3 HD1 ARG 3 23.686 2.204 28.861 25 HE ARG 3 HE ARG 3 24.397 4.983 29.328 26 HH11 ARG 3 HH11 ARG 3 21.768 2.827 28.271 27 HH12 ARG 3 HH12 ARG 3 20.490 3.858 28.822 28 HH21 ARG 3 HH21 ARG 3 22.660 6.389 30.079 29 HH22 ARG 3 HH22 ARG 3 21.008 5.918 29.867 30 H LEU 4 HN LEU 4 28.202 4.824 30.587 31 HA LEU 4 HA LEU 4 28.352 6.084 28.281 32 HB2 LEU 4 HB2 LEU 4 29.996 6.585 30.835 33 HB3 LEU 4 HB1 LEU 4 29.848 7.780 29.503 34 HG LEU 4 HG LEU 4 28.018 7.163 31.730 35 HD11 LEU 4 HD11 LEU 4 27.294 9.546 30.187 36 HD12 LEU 4 HD12 LEU 4 29.086 9.452 30.333 37 HD13 LEU 4 HD13 LEU 4 28.058 9.428 31.816 38 HD21 LEU 4 HD21 LEU 4 26.379 6.135 30.437 39 HD22 LEU 4 HD22 LEU 4 26.895 6.929 28.901 40 HD23 LEU 4 HD23 LEU 4 25.951 7.856 30.120 41 H SER 5 HN SER 5 29.347 5.166 26.600 42 HA SER 5 HA SER 5 32.042 4.112 26.903 43 HB2 SER 5 HB2 SER 5 30.118 4.064 24.505 44 HB3 SER 5 HB1 SER 5 31.771 3.326 24.502 45 HG SER 5 HG SER 5 29.874 2.722 26.512 46 H DPP 6 HN DPP 6 30.706 5.925 23.988 47 HA DPP 6 HA DPP 6 33.278 7.168 23.673 48 HB2 DPP 6 HB2 DPP 6 31.370 6.635 21.754 49 HB3 DPP 6 HB3 DPP 6 32.485 8.036 21.571 50 H PHE 7 HN PHE 7 31.988 7.647 26.305 51 HA PHE 7 HA PHE 7 30.439 9.849 26.027 52 HB2 PHE 7 HB2 PHE 7 31.152 8.494 28.380 53 HB3 PHE 7 HB1 PHE 7 31.292 10.307 28.577 54 HD1 PHE 7 HD1 PHE 7 29.095 7.611 27.556 55 HD2 PHE 7 HD2 PHE 7 29.545 11.727 28.169 56 HE1 PHE 7 HE1 PHE 7 26.709 7.929 27.339 57 HE2 PHE 7 HE2 PHE 7 27.200 12.043 27.918 58 HZ PHE 7 HZ PHE 7 25.854 10.133 27.572 59 H PHE 8 HN PHE 8 30.247 11.522 26.449 60 HA PHE 8 HA PHE 8 30.384 13.468 26.611 61 HB2 PHE 8 HB2 PHE 8 33.193 12.937 27.648 62 HB3 PHE 8 HB1 PHE 8 32.788 14.652 27.138 63 HD1 PHE 8 HD1 PHE 8 31.943 11.899 29.347 64 HD2 PHE 8 HD2 PHE 8 30.942 15.683 27.816 65 HE1 PHE 8 HE1 PHE 8 29.941 11.880 30.695 66 HE2 PHE 8 HE2 PHE 8 28.986 15.762 29.145 67 HZ PHE 8 HZ PHE 8 28.456 13.855 30.638 68 H ARG 9 HN ARG 9 30.348 14.984 25.760 69 HA ARG 9 HA ARG 9 29.986 16.174 24.216 70 HB2 ARG 9 HB2 ARG 9 32.700 15.685 22.954 71 HB3 ARG 9 HB1 ARG 9 31.695 17.165 22.789 72 HG2 ARG 9 HG2 ARG 9 32.676 18.085 24.614 73 HG3 ARG 9 HG1 ARG 9 32.128 16.703 25.636 74 HD2 ARG 9 HD2 ARG 9 34.755 16.873 24.001 75 HD3 ARG 9 HD1 ARG 9 34.564 16.795 25.816 76 HE ARG 9 HE ARG 9 33.169 14.557 24.632 77 HH11 ARG 9 HH11 ARG 9 36.466 15.884 25.139 78 HH12 ARG 9 HH12 ARG 9 37.250 14.341 25.185 79 HH21 ARG 9 HH21 ARG 9 34.258 12.463 24.700 80 HH22 ARG 9 HH22 ARG 9 35.973 12.361 24.931 81 H GLN 10 HN GLN 10 28.691 14.033 23.973 82 HA GLN 10 HA GLN 10 28.480 13.743 21.246 83 HB2 GLN 10 HB2 GLN 10 30.490 12.500 21.325 84 HB3 GLN 10 HB1 GLN 10 30.166 12.091 23.050 85 HG2 GLN 10 HG2 GLN 10 28.528 10.359 22.346 86 HG3 GLN 10 HG1 GLN 10 28.769 10.768 20.609 87 HE21 GLN 10 HE21 GLN 10 29.623 8.283 22.639 88 H PHE 11 HN PHE 11 27.299 13.719 24.296 89 HA PHE 11 HA PHE 11 25.037 12.055 23.536 90 HB2 PHE 11 HB2 PHE 11 26.477 12.306 26.144 91 HB3 PHE 11 HB1 PHE 11 25.052 11.208 25.839 92 HD1 PHE 11 HD1 PHE 11 28.414 12.176 24.877 93 HD2 PHE 11 HD2 PHE 11 25.475 9.118 25.128 94 HE1 PHE 11 HE1 PHE 11 30.054 10.507 24.333 95 HE2 PHE 11 HE2 PHE 11 27.133 7.420 24.621 96 HZ PHE 11 HZ PHE 11 29.455 8.090 24.200 97 H ILE 12 HN ILE 12 26.670 14.230 25.459 98 HA ILE 12 HA ILE 12 24.470 15.233 26.810 99 HB ILE 12 HB ILE 12 27.268 16.224 26.803 100 HG12 ILE 12 HG12 ILE 12 27.482 14.316 28.630 101 HG13 ILE 12 HG11 ILE 12 26.376 13.551 27.486 102 HG21 ILE 12 HG21 ILE 12 25.422 17.302 28.274 103 HG22 ILE 12 HG22 ILE 12 26.838 16.673 29.198 104 HG23 ILE 12 HG23 ILE 12 25.301 15.730 29.152 105 HD11 ILE 12 HD11 ILE 12 28.003 14.457 25.609 106 HD12 ILE 12 HD12 ILE 12 28.425 12.966 26.539 107 HD13 ILE 12 HD13 ILE 12 29.136 14.553 26.973 108 H LEU 13 HN LEU 13 26.699 15.507 24.533 109 HA LEU 13 HA LEU 13 26.401 18.302 24.094 110 HB2 LEU 13 HB2 LEU 13 28.194 15.998 24.452 111 HB3 LEU 13 HB1 LEU 13 28.728 17.193 23.133 112 HG LEU 13 HG LEU 13 29.473 18.715 24.692 113 HD11 LEU 13 HD11 LEU 13 28.052 19.384 26.743 114 HD12 LEU 13 HD12 LEU 13 26.788 18.252 26.126 115 HD13 LEU 13 HD13 LEU 13 27.285 19.672 25.135 116 HD21 LEU 13 HD21 LEU 13 29.077 17.384 27.222 117 HD22 LEU 13 HD22 LEU 13 30.549 17.371 26.173 118 HD23 LEU 13 HD23 LEU 13 29.290 16.104 25.971 119 H GLN 14 HN GLN 14 25.748 15.281 22.925 120 HA GLN 14 HA GLN 14 26.409 15.146 20.318 121 HB2 GLN 14 HB2 GLN 14 24.027 14.063 20.114 122 HB3 GLN 14 HB1 GLN 14 25.222 13.318 21.270 123 HG2 GLN 14 HG2 GLN 14 24.310 14.709 23.139 124 HG3 GLN 14 HG1 GLN 14 23.097 15.431 22.013 125 HE21 GLN 14 HE21 GLN 14 21.274 14.537 23.148 126 HE22 GLN 14 HE22 GLN 14 20.876 12.855 23.064 127 H ARG 15 HN ARG 15 23.979 17.197 21.778 128 HA ARG 15 HA ARG 15 22.640 17.657 19.348 129 HB2 ARG 15 HB2 ARG 15 21.248 19.190 20.641 130 HB3 ARG 15 HB1 ARG 15 21.544 17.687 21.592 131 HG2 ARG 15 HG2 ARG 15 23.456 18.836 22.770 132 HG3 ARG 15 HG1 ARG 15 23.057 20.351 21.893 133 HD2 ARG 15 HD2 ARG 15 20.759 20.367 22.950 134 HD3 ARG 15 HD1 ARG 15 21.191 18.856 23.868 135 HE ARG 15 HE ARG 15 23.232 20.832 24.332 136 HH11 ARG 15 HH11 ARG 15 19.792 20.159 24.963 137 HH12 ARG 15 HH12 ARG 15 19.739 21.020 26.464 138 HH21 ARG 15 HH21 ARG 15 23.162 22.004 26.375 139 HH22 ARG 15 HH22 ARG 15 21.688 22.088 27.280 140 H LYS 16 HN LYS 16 25.459 19.057 20.865 141 HA LYS 16 HA LYS 16 25.081 21.428 19.184 142 HB2 LYS 16 HB2 LYS 16 25.188 22.353 21.367 143 HB3 LYS 16 HB1 LYS 16 26.251 21.026 21.958 144 HG2 LYS 16 HG2 LYS 16 28.150 21.949 20.652 145 HG3 LYS 16 HG1 LYS 16 27.103 23.263 20.019 146 HD2 LYS 16 HD2 LYS 16 27.638 22.797 23.016 147 HD3 LYS 16 HD1 LYS 16 28.636 23.881 21.989 148 HE2 LYS 16 HE2 LYS 16 26.552 25.231 21.444 149 HE3 LYS 16 HE1 LYS 16 25.613 24.175 22.580 150 HZ1 LYS 16 HZ1 LYS 16 27.387 26.343 23.123 151 HZ2 LYS 16 HZ2 LYS 16 27.815 24.950 23.995 152 HZ3 LYS 16 HZ3 LYS 16 26.244 25.582 24.121 153 H LYS 17 HN LYS 17 27.107 18.920 20.497 154 HA LYS 17 HA LYS 17 29.120 19.537 18.432 155 HB2 LYS 17 HB2 LYS 17 29.249 18.092 21.123 156 HB3 LYS 17 HB1 LYS 17 30.575 17.955 19.905 157 HG2 LYS 17 HG2 LYS 17 30.849 20.459 19.955 158 HG3 LYS 17 HG1 LYS 17 29.554 20.564 21.195 159 HD2 LYS 17 HD2 LYS 17 30.924 19.175 22.754 160 HD3 LYS 17 HD1 LYS 17 32.216 19.045 21.512 161 HE2 LYS 17 HE2 LYS 17 32.537 21.538 21.576 162 HE3 LYS 17 HE1 LYS 17 31.229 21.669 22.824 163 HZ1 LYS 17 HZ1 LYS 17 33.770 21.447 23.415 164 HZ2 LYS 17 HZ2 LYS 17 33.407 19.790 23.338 165 HZ3 LYS 17 HZ3 LYS 17 32.544 20.801 24.395 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 27.074 1.414 38.383 2 H2 ALA 1 HT2 ALA 1 27.751 1.153 36.847 3 H3 ALA 1 HT3 ALA 1 26.069 1.047 37.063 4 HA ALA 1 HA ALA 1 25.773 3.187 36.817 5 HB1 ALA 1 HB1 ALA 1 28.299 3.628 38.529 6 HB2 ALA 1 HB2 ALA 1 26.611 3.555 39.165 7 HB3 ALA 1 HB3 ALA 1 27.108 4.908 38.080 8 H MET 2 HN MET 2 26.885 1.881 34.696 9 HA MET 2 HA MET 2 28.383 4.011 33.497 10 HB2 MET 2 HB2 MET 2 30.227 2.581 32.648 11 HB3 MET 2 HB1 MET 2 30.313 2.741 34.442 12 HG2 MET 2 HG2 MET 2 29.174 0.513 34.675 13 HG3 MET 2 HG1 MET 2 29.125 0.357 32.892 14 HE1 MET 2 HE1 MET 2 32.046 1.329 31.781 15 HE2 MET 2 HE2 MET 2 30.753 0.145 31.390 16 HE3 MET 2 HE3 MET 2 32.447 -0.414 31.608 17 H ARG 3 HN ARG 3 28.877 3.476 31.230 18 HA ARG 3 HA ARG 3 27.773 1.510 29.783 19 HB2 ARG 3 HB2 ARG 3 25.466 2.100 30.450 20 HB3 ARG 3 HB1 ARG 3 25.906 3.854 30.387 21 HG2 ARG 3 HG2 ARG 3 26.070 3.859 28.006 22 HG3 ARG 3 HG1 ARG 3 25.985 2.067 27.906 23 HD2 ARG 3 HD2 ARG 3 23.665 3.809 28.995 24 HD3 ARG 3 HD1 ARG 3 23.796 3.258 27.265 25 HE ARG 3 HE ARG 3 24.107 0.956 28.938 26 HH11 ARG 3 HH11 ARG 3 21.703 3.442 28.088 27 HH12 ARG 3 HH12 ARG 3 20.328 2.421 28.342 28 HH21 ARG 3 HH21 ARG 3 22.239 -0.435 29.285 29 HH22 ARG 3 HH22 ARG 3 20.639 0.177 29.035 30 H LEU 4 HN LEU 4 28.092 4.812 30.567 31 HA LEU 4 HA LEU 4 28.256 6.062 28.252 32 HB2 LEU 4 HB2 LEU 4 29.850 6.590 30.831 33 HB3 LEU 4 HB1 LEU 4 29.716 7.775 29.491 34 HG LEU 4 HG LEU 4 27.842 7.144 31.681 35 HD11 LEU 4 HD11 LEU 4 28.934 9.441 30.324 36 HD12 LEU 4 HD12 LEU 4 27.854 9.411 31.769 37 HD13 LEU 4 HD13 LEU 4 27.146 9.525 30.115 38 HD21 LEU 4 HD21 LEU 4 26.254 6.099 30.334 39 HD22 LEU 4 HD22 LEU 4 26.787 6.927 28.821 40 HD23 LEU 4 HD23 LEU 4 25.806 7.819 30.037 41 H SER 5 HN SER 5 29.282 5.147 26.593 42 HA SER 5 HA SER 5 31.967 4.094 26.926 43 HB2 SER 5 HB2 SER 5 30.255 2.803 25.568 44 HB3 SER 5 HB1 SER 5 30.245 4.158 24.376 45 HG SER 5 HG SER 5 32.191 2.245 24.949 46 H DPP 6 HN DPP 6 30.767 5.926 23.971 47 HA DPP 6 HA DPP 6 33.330 7.195 23.781 48 HB2 DPP 6 HB2 DPP 6 31.496 6.680 21.788 49 HB3 DPP 6 HB3 DPP 6 32.612 8.087 21.663 50 H PHE 7 HN PHE 7 31.952 7.654 26.371 51 HA PHE 7 HA PHE 7 30.406 9.853 26.057 52 HB2 PHE 7 HB2 PHE 7 31.048 8.482 28.421 53 HB3 PHE 7 HB1 PHE 7 31.172 10.294 28.637 54 HD1 PHE 7 HD1 PHE 7 29.016 7.595 27.529 55 HD2 PHE 7 HD2 PHE 7 29.437 11.711 28.179 56 HE1 PHE 7 HE1 PHE 7 26.637 7.910 27.239 57 HE2 PHE 7 HE2 PHE 7 27.101 12.023 27.857 58 HZ PHE 7 HZ PHE 7 25.772 10.112 27.457 59 H PHE 8 HN PHE 8 30.196 11.523 26.483 60 HA PHE 8 HA PHE 8 30.322 13.467 26.667 61 HB2 PHE 8 HB2 PHE 8 33.096 12.936 27.792 62 HB3 PHE 8 HB1 PHE 8 32.706 14.653 27.280 63 HD1 PHE 8 HD1 PHE 8 31.790 11.884 29.439 64 HD2 PHE 8 HD2 PHE 8 30.836 15.680 27.904 65 HE1 PHE 8 HE1 PHE 8 29.744 11.854 30.719 66 HE2 PHE 8 HE2 PHE 8 28.836 15.745 29.168 67 HZ PHE 8 HZ PHE 8 28.260 13.827 30.626 68 H ARG 9 HN ARG 9 30.316 14.995 25.831 69 HA ARG 9 HA ARG 9 29.993 16.191 24.285 70 HB2 ARG 9 HB2 ARG 9 32.751 15.746 23.102 71 HB3 ARG 9 HB1 ARG 9 31.739 17.223 22.937 72 HG2 ARG 9 HG2 ARG 9 32.668 18.112 24.802 73 HG3 ARG 9 HG1 ARG 9 32.086 16.716 25.785 74 HD2 ARG 9 HD2 ARG 9 34.766 16.910 24.241 75 HD3 ARG 9 HD1 ARG 9 34.516 16.807 26.046 76 HE ARG 9 HE ARG 9 33.164 14.584 24.782 77 HH11 ARG 9 HH11 ARG 9 36.436 15.908 25.438 78 HH12 ARG 9 HH12 ARG 9 37.221 14.366 25.493 79 HH21 ARG 9 HH21 ARG 9 34.254 12.491 24.863 80 HH22 ARG 9 HH22 ARG 9 35.959 12.388 25.161 81 H GLN 10 HN GLN 10 28.719 14.051 23.979 82 HA GLN 10 HA GLN 10 28.601 13.776 21.244 83 HB2 GLN 10 HB2 GLN 10 30.610 12.539 21.389 84 HB3 GLN 10 HB1 GLN 10 30.223 12.114 23.096 85 HG2 GLN 10 HG2 GLN 10 28.619 10.386 22.319 86 HG3 GLN 10 HG1 GLN 10 28.915 10.813 20.597 87 HE21 GLN 10 HE21 GLN 10 29.714 8.314 22.637 88 H PHE 11 HN PHE 11 27.315 13.724 24.256 89 HA PHE 11 HA PHE 11 25.085 12.059 23.407 90 HB2 PHE 11 HB2 PHE 11 26.435 12.293 26.064 91 HB3 PHE 11 HB1 PHE 11 25.024 11.194 25.703 92 HD1 PHE 11 HD1 PHE 11 28.413 12.177 24.860 93 HD2 PHE 11 HD2 PHE 11 25.474 9.113 24.992 94 HE1 PHE 11 HE1 PHE 11 30.073 10.516 24.356 95 HE2 PHE 11 HE2 PHE 11 27.152 7.421 24.528 96 HZ PHE 11 HZ PHE 11 29.485 8.099 24.186 97 H ILE 12 HN ILE 12 26.644 14.220 25.402 98 HA ILE 12 HA ILE 12 24.398 15.213 26.682 99 HB ILE 12 HB ILE 12 27.192 16.215 26.768 100 HG12 ILE 12 HG12 ILE 12 27.356 14.300 28.594 101 HG13 ILE 12 HG11 ILE 12 26.289 13.535 27.414 102 HG21 ILE 12 HG21 ILE 12 25.197 15.685 29.082 103 HG22 ILE 12 HG22 ILE 12 25.246 17.247 28.180 104 HG23 ILE 12 HG23 ILE 12 26.686 16.705 29.121 105 HD11 ILE 12 HD11 ILE 12 27.972 14.458 25.593 106 HD12 ILE 12 HD12 ILE 12 28.366 12.962 26.526 107 HD13 ILE 12 HD13 ILE 12 29.061 14.546 26.993 108 H LEU 13 HN LEU 13 26.698 15.493 24.480 109 HA LEU 13 HA LEU 13 26.403 18.283 24.011 110 HB2 LEU 13 HB2 LEU 13 28.193 15.993 24.448 111 HB3 LEU 13 HB1 LEU 13 28.768 17.190 23.147 112 HG LEU 13 HG LEU 13 29.437 18.726 24.728 113 HD11 LEU 13 HD11 LEU 13 27.215 19.646 25.089 114 HD12 LEU 13 HD12 LEU 13 27.942 19.389 26.721 115 HD13 LEU 13 HD13 LEU 13 26.717 18.229 26.081 116 HD21 LEU 13 HD21 LEU 13 29.236 16.115 26.013 117 HD22 LEU 13 HD22 LEU 13 28.980 17.402 27.248 118 HD23 LEU 13 HD23 LEU 13 30.480 17.391 26.242 119 H GLN 14 HN GLN 14 25.736 15.281 22.856 120 HA GLN 14 HA GLN 14 26.492 15.122 20.266 121 HB2 GLN 14 HB2 GLN 14 24.112 14.054 20.000 122 HB3 GLN 14 HB1 GLN 14 25.265 13.304 21.196 123 HG2 GLN 14 HG2 GLN 14 24.306 14.720 23.028 124 HG3 GLN 14 HG1 GLN 14 23.132 15.439 21.858 125 HE21 GLN 14 HE21 GLN 14 21.259 14.569 22.910 126 HE22 GLN 14 HE22 GLN 14 20.856 12.888 22.841 127 H ARG 15 HN ARG 15 24.027 17.177 21.671 128 HA ARG 15 HA ARG 15 22.859 17.711 19.140 129 HB2 ARG 15 HB2 ARG 15 21.270 19.074 20.394 130 HB3 ARG 15 HB1 ARG 15 21.548 17.524 21.274 131 HG2 ARG 15 HG2 ARG 15 23.491 18.875 22.486 132 HG3 ARG 15 HG1 ARG 15 22.575 20.320 21.934 133 HD2 ARG 15 HD2 ARG 15 21.312 18.018 23.583 134 HD3 ARG 15 HD1 ARG 15 21.931 19.579 24.286 135 HE ARG 15 HE ARG 15 20.138 20.242 22.159 136 HH11 ARG 15 HH11 ARG 15 20.162 18.628 25.332 137 HH12 ARG 15 HH12 ARG 15 18.530 19.049 25.732 138 HH21 ARG 15 HH21 ARG 15 17.919 20.816 22.700 139 HH22 ARG 15 HH22 ARG 15 17.233 20.314 24.209 140 H LYS 16 HN LYS 16 25.447 19.004 21.041 141 HA LYS 16 HA LYS 16 25.121 21.637 19.784 142 HB2 LYS 16 HB2 LYS 16 27.203 20.802 21.877 143 HB3 LYS 16 HB1 LYS 16 26.755 22.481 21.395 144 HG2 LYS 16 HG2 LYS 16 24.438 22.068 22.330 145 HG3 LYS 16 HG1 LYS 16 25.004 20.454 22.886 146 HD2 LYS 16 HD2 LYS 16 26.831 21.642 24.222 147 HD3 LYS 16 HD1 LYS 16 26.065 23.205 23.782 148 HE2 LYS 16 HE2 LYS 16 24.665 20.915 25.324 149 HE3 LYS 16 HE1 LYS 16 25.346 22.425 26.060 150 HZ1 LYS 16 HZ1 LYS 16 23.781 23.374 24.091 151 HZ2 LYS 16 HZ2 LYS 16 23.320 23.192 25.715 152 HZ3 LYS 16 HZ3 LYS 16 22.910 22.000 24.576 153 H LYS 17 HN LYS 17 27.036 18.820 20.308 154 HA LYS 17 HA LYS 17 29.181 19.742 18.592 155 HB2 LYS 17 HB2 LYS 17 28.518 17.142 20.036 156 HB3 LYS 17 HB1 LYS 17 29.781 17.143 18.752 157 HG2 LYS 17 HG2 LYS 17 29.806 19.022 21.192 158 HG3 LYS 17 HG1 LYS 17 30.641 17.432 21.139 159 HD2 LYS 17 HD2 LYS 17 31.962 18.227 19.137 160 HD3 LYS 17 HD1 LYS 17 31.165 19.832 19.275 161 HE2 LYS 17 HE2 LYS 17 32.145 20.129 21.570 162 HE3 LYS 17 HE1 LYS 17 32.946 18.508 21.432 163 HZ1 LYS 17 HZ1 LYS 17 34.289 19.269 19.717 164 HZ2 LYS 17 HZ2 LYS 17 34.291 20.531 20.855 165 HZ3 LYS 17 HZ3 LYS 17 33.359 20.663 19.440 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 27.208 -0.655 36.211 2 H2 ALA 1 HT2 ALA 1 28.825 -0.135 36.189 3 H3 ALA 1 HT3 ALA 1 27.825 0.142 34.843 4 HA ALA 1 HA ALA 1 26.426 1.297 36.803 5 HB1 ALA 1 HB1 ALA 1 29.421 1.859 37.280 6 HB2 ALA 1 HB2 ALA 1 28.326 0.987 38.420 7 HB3 ALA 1 HB3 ALA 1 28.061 2.739 38.076 8 H MET 2 HN MET 2 29.393 1.899 34.791 9 HA MET 2 HA MET 2 28.027 4.312 33.779 10 HB2 MET 2 HB2 MET 2 30.938 3.392 33.547 11 HB3 MET 2 HB1 MET 2 30.241 4.812 32.697 12 HG2 MET 2 HG2 MET 2 29.756 5.927 34.845 13 HG3 MET 2 HG1 MET 2 30.291 4.482 35.759 14 HE1 MET 2 HE1 MET 2 32.071 6.329 32.494 15 HE2 MET 2 HE2 MET 2 32.682 7.685 33.503 16 HE3 MET 2 HE3 MET 2 30.926 7.302 33.483 17 H ARG 3 HN ARG 3 26.783 3.797 32.195 18 HA ARG 3 HA ARG 3 27.457 1.780 30.375 19 HB2 ARG 3 HB2 ARG 3 25.087 2.462 30.719 20 HB3 ARG 3 HB1 ARG 3 25.556 4.164 30.335 21 HG2 ARG 3 HG2 ARG 3 26.037 3.625 28.035 22 HG3 ARG 3 HG1 ARG 3 25.842 1.857 28.331 23 HD2 ARG 3 HD2 ARG 3 23.406 2.141 28.742 24 HD3 ARG 3 HD1 ARG 3 23.570 3.950 28.618 25 HE ARG 3 HE ARG 3 24.638 2.870 26.215 26 HH11 ARG 3 HH11 ARG 3 21.569 2.940 28.020 27 HH12 ARG 3 HH12 ARG 3 20.560 2.846 26.614 28 HH21 ARG 3 HH21 ARG 3 23.267 2.742 24.300 29 HH22 ARG 3 HH22 ARG 3 21.544 2.730 24.464 30 H LEU 4 HN LEU 4 27.508 5.181 30.710 31 HA LEU 4 HA LEU 4 28.004 6.279 28.484 32 HB2 LEU 4 HB2 LEU 4 29.608 6.804 31.058 33 HB3 LEU 4 HB1 LEU 4 29.518 7.959 29.685 34 HG LEU 4 HG LEU 4 27.629 7.461 31.898 35 HD11 LEU 4 HD11 LEU 4 27.036 9.831 30.272 36 HD12 LEU 4 HD12 LEU 4 28.816 9.673 30.485 37 HD13 LEU 4 HD13 LEU 4 27.737 9.725 31.930 38 HD21 LEU 4 HD21 LEU 4 26.560 7.185 29.056 39 HD22 LEU 4 HD22 LEU 4 25.629 8.202 30.212 40 HD23 LEU 4 HD23 LEU 4 25.969 6.475 30.607 41 H SER 5 HN SER 5 29.002 5.328 26.844 42 HA SER 5 HA SER 5 31.633 4.150 27.220 43 HB2 SER 5 HB2 SER 5 31.327 3.539 24.685 44 HB3 SER 5 HB1 SER 5 30.253 2.713 25.882 45 HG SER 5 HG SER 5 28.760 3.474 24.664 46 H DPP 6 HN DPP 6 30.512 5.927 24.221 47 HA DPP 6 HA DPP 6 33.112 7.122 24.003 48 HB2 DPP 6 HB2 DPP 6 31.279 6.589 22.017 49 HB3 DPP 6 HB3 DPP 6 32.421 7.971 21.854 50 H PHE 7 HN PHE 7 31.748 7.704 26.572 51 HA PHE 7 HA PHE 7 30.252 9.925 26.184 52 HB2 PHE 7 HB2 PHE 7 30.868 8.626 28.595 53 HB3 PHE 7 HB1 PHE 7 31.037 10.441 28.745 54 HD1 PHE 7 HD1 PHE 7 28.818 7.758 27.738 55 HD2 PHE 7 HD2 PHE 7 29.331 11.882 28.243 56 HE1 PHE 7 HE1 PHE 7 26.447 8.116 27.440 57 HE2 PHE 7 HE2 PHE 7 27.002 12.234 27.914 58 HZ PHE 7 HZ PHE 7 25.629 10.342 27.583 59 H PHE 8 HN PHE 8 30.080 11.614 26.550 60 HA PHE 8 HA PHE 8 30.249 13.562 26.664 61 HB2 PHE 8 HB2 PHE 8 33.015 13.008 27.802 62 HB3 PHE 8 HB1 PHE 8 32.659 14.715 27.233 63 HD1 PHE 8 HD1 PHE 8 31.693 12.041 29.490 64 HD2 PHE 8 HD2 PHE 8 30.814 15.799 27.823 65 HE1 PHE 8 HE1 PHE 8 29.650 12.099 30.775 66 HE2 PHE 8 HE2 PHE 8 28.820 15.952 29.088 67 HZ PHE 8 HZ PHE 8 28.207 14.099 30.615 68 H ARG 9 HN ARG 9 30.267 15.054 25.770 69 HA ARG 9 HA ARG 9 29.977 16.207 24.183 70 HB2 ARG 9 HB2 ARG 9 32.722 15.627 23.027 71 HB3 ARG 9 HB1 ARG 9 31.752 17.119 22.776 72 HG2 ARG 9 HG2 ARG 9 32.688 18.083 24.602 73 HG3 ARG 9 HG1 ARG 9 32.076 16.748 25.650 74 HD2 ARG 9 HD2 ARG 9 34.763 16.812 24.107 75 HD3 ARG 9 HD1 ARG 9 34.505 16.800 25.915 76 HE ARG 9 HE ARG 9 33.114 14.547 24.752 77 HH11 ARG 9 HH11 ARG 9 36.407 15.836 25.364 78 HH12 ARG 9 HH12 ARG 9 37.161 14.282 25.495 79 HH21 ARG 9 HH21 ARG 9 34.163 12.438 24.933 80 HH22 ARG 9 HH22 ARG 9 35.863 12.316 25.245 81 H GLN 10 HN GLN 10 28.652 14.078 23.961 82 HA GLN 10 HA GLN 10 28.516 13.720 21.237 83 HB2 GLN 10 HB2 GLN 10 30.500 12.446 21.410 84 HB3 GLN 10 HB1 GLN 10 30.119 12.091 23.135 85 HG2 GLN 10 HG2 GLN 10 28.473 10.366 22.428 86 HG3 GLN 10 HG1 GLN 10 28.773 10.723 20.689 87 HE21 GLN 10 HE21 GLN 10 29.525 8.282 22.813 88 H PHE 11 HN PHE 11 27.244 13.802 24.247 89 HA PHE 11 HA PHE 11 24.978 12.152 23.469 90 HB2 PHE 11 HB2 PHE 11 26.344 12.461 26.109 91 HB3 PHE 11 HB1 PHE 11 24.910 11.377 25.797 92 HD1 PHE 11 HD1 PHE 11 28.315 12.259 24.903 93 HD2 PHE 11 HD2 PHE 11 25.316 9.260 25.165 94 HE1 PHE 11 HE1 PHE 11 29.939 10.546 24.454 95 HE2 PHE 11 HE2 PHE 11 26.957 7.519 24.756 96 HZ PHE 11 HZ PHE 11 29.301 8.136 24.376 97 H ILE 12 HN ILE 12 26.588 14.361 25.374 98 HA ILE 12 HA ILE 12 24.365 15.436 26.627 99 HB ILE 12 HB ILE 12 27.178 16.379 26.680 100 HG12 ILE 12 HG12 ILE 12 27.301 14.522 28.566 101 HG13 ILE 12 HG11 ILE 12 26.217 13.744 27.412 102 HG21 ILE 12 HG21 ILE 12 26.681 16.895 29.053 103 HG22 ILE 12 HG22 ILE 12 25.121 15.991 28.973 104 HG23 ILE 12 HG23 ILE 12 25.317 17.536 28.061 105 HD11 ILE 12 HD11 ILE 12 29.011 14.677 26.954 106 HD12 ILE 12 HD12 ILE 12 27.922 14.568 25.562 107 HD13 ILE 12 HD13 ILE 12 28.284 13.093 26.546 108 H LEU 13 HN LEU 13 26.672 15.616 24.419 109 HA LEU 13 HA LEU 13 26.440 18.405 23.903 110 HB2 LEU 13 HB2 LEU 13 28.176 16.074 24.368 111 HB3 LEU 13 HB1 LEU 13 28.774 17.228 23.040 112 HG LEU 13 HG LEU 13 29.496 18.774 24.588 113 HD11 LEU 13 HD11 LEU 13 26.762 18.387 25.949 114 HD12 LEU 13 HD12 LEU 13 27.311 19.776 24.940 115 HD13 LEU 13 HD13 LEU 13 28.025 19.513 26.578 116 HD21 LEU 13 HD21 LEU 13 30.500 17.451 26.136 117 HD22 LEU 13 HD22 LEU 13 29.233 16.196 25.914 118 HD23 LEU 13 HD23 LEU 13 28.994 17.503 27.132 119 H GLN 14 HN GLN 14 25.766 15.367 22.780 120 HA GLN 14 HA GLN 14 26.500 15.196 20.186 121 HB2 GLN 14 HB2 GLN 14 24.130 14.100 19.939 122 HB3 GLN 14 HB1 GLN 14 25.297 13.374 21.136 123 HG2 GLN 14 HG2 GLN 14 24.331 14.788 22.959 124 HG3 GLN 14 HG1 GLN 14 23.146 15.490 21.793 125 HE21 GLN 14 HE21 GLN 14 21.287 14.611 22.863 126 HE22 GLN 14 HE22 GLN 14 20.898 12.925 22.802 127 H ARG 15 HN ARG 15 24.066 17.274 21.581 128 HA ARG 15 HA ARG 15 22.734 17.703 19.147 129 HB2 ARG 15 HB2 ARG 15 21.406 19.337 20.408 130 HB3 ARG 15 HB1 ARG 15 21.628 17.827 21.367 131 HG2 ARG 15 HG2 ARG 15 23.481 18.847 22.643 132 HG3 ARG 15 HG1 ARG 15 23.379 20.344 21.659 133 HD2 ARG 15 HD2 ARG 15 21.049 19.279 23.407 134 HD3 ARG 15 HD1 ARG 15 22.233 20.560 23.928 135 HE ARG 15 HE ARG 15 21.181 21.364 21.401 136 HH11 ARG 15 HH11 ARG 15 20.089 20.698 24.725 137 HH12 ARG 15 HH12 ARG 15 18.783 21.835 24.689 138 HH21 ARG 15 HH21 ARG 15 19.404 22.911 21.350 139 HH22 ARG 15 HH22 ARG 15 18.387 23.113 22.737 140 H LYS 16 HN LYS 16 25.591 19.085 20.607 141 HA LYS 16 HA LYS 16 25.271 21.396 18.833 142 HB2 LYS 16 HB2 LYS 16 25.323 22.369 21.015 143 HB3 LYS 16 HB1 LYS 16 26.438 21.093 21.631 144 HG2 LYS 16 HG2 LYS 16 28.297 22.033 20.326 145 HG3 LYS 16 HG1 LYS 16 27.210 23.250 19.572 146 HD2 LYS 16 HD2 LYS 16 26.854 24.367 21.716 147 HD3 LYS 16 HD1 LYS 16 27.679 23.044 22.609 148 HE2 LYS 16 HE2 LYS 16 29.191 25.009 22.396 149 HE3 LYS 16 HE1 LYS 16 29.845 23.631 21.414 150 HZ1 LYS 16 HZ1 LYS 16 29.411 26.139 20.538 151 HZ2 LYS 16 HZ2 LYS 16 28.018 25.341 19.985 152 HZ3 LYS 16 HZ3 LYS 16 29.556 24.762 19.557 153 H LYS 17 HN LYS 17 27.275 18.975 20.346 154 HA LYS 17 HA LYS 17 29.359 19.497 18.334 155 HB2 LYS 17 HB2 LYS 17 29.335 18.060 21.034 156 HB3 LYS 17 HB1 LYS 17 30.723 17.924 19.888 157 HG2 LYS 17 HG2 LYS 17 31.003 20.423 19.960 158 HG3 LYS 17 HG1 LYS 17 29.639 20.533 21.124 159 HD2 LYS 17 HD2 LYS 17 30.917 19.110 22.746 160 HD3 LYS 17 HD1 LYS 17 32.285 19.021 21.584 161 HE2 LYS 17 HE2 LYS 17 31.184 21.640 22.812 162 HE3 LYS 17 HE1 LYS 17 32.660 20.754 23.380 163 HZ1 LYS 17 HZ1 LYS 17 33.729 21.944 21.901 164 HZ2 LYS 17 HZ2 LYS 17 32.310 22.510 21.162 165 HZ3 LYS 17 HZ3 LYS 17 32.986 21.029 20.679 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 26.602 1.144 37.298 2 H2 ALA 1 HT2 ALA 1 27.259 2.148 38.501 3 H3 ALA 1 HT3 ALA 1 28.154 1.808 37.098 4 HA ALA 1 HA ALA 1 25.618 2.897 36.475 5 HB1 ALA 1 HB1 ALA 1 25.940 4.046 38.701 6 HB2 ALA 1 HB2 ALA 1 26.043 5.218 37.333 7 HB3 ALA 1 HB3 ALA 1 27.549 4.634 38.135 8 H MET 2 HN MET 2 27.452 1.678 34.843 9 HA MET 2 HA MET 2 28.602 4.004 33.462 10 HB2 MET 2 HB2 MET 2 29.871 1.205 33.641 11 HB3 MET 2 HB1 MET 2 30.459 2.567 32.623 12 HG2 MET 2 HG2 MET 2 30.334 2.524 35.700 13 HG3 MET 2 HG1 MET 2 31.804 2.288 34.705 14 HE1 MET 2 HE1 MET 2 32.763 3.654 33.203 15 HE2 MET 2 HE2 MET 2 32.887 5.446 33.277 16 HE3 MET 2 HE3 MET 2 31.576 4.675 32.320 17 H ARG 3 HN ARG 3 28.992 3.562 31.200 18 HA ARG 3 HA ARG 3 27.890 1.542 29.762 19 HB2 ARG 3 HB2 ARG 3 25.603 2.148 30.478 20 HB3 ARG 3 HB1 ARG 3 26.052 3.899 30.413 21 HG2 ARG 3 HG2 ARG 3 26.170 3.908 28.025 22 HG3 ARG 3 HG1 ARG 3 26.055 2.117 27.925 23 HD2 ARG 3 HD2 ARG 3 23.788 3.888 29.074 24 HD3 ARG 3 HD1 ARG 3 23.872 3.349 27.338 25 HE ARG 3 HE ARG 3 24.182 1.028 28.983 26 HH11 ARG 3 HH11 ARG 3 21.801 3.565 28.224 27 HH12 ARG 3 HH12 ARG 3 20.415 2.562 28.495 28 HH21 ARG 3 HH21 ARG 3 22.299 -0.338 29.352 29 HH22 ARG 3 HH22 ARG 3 20.704 0.305 29.147 30 H LEU 4 HN LEU 4 28.239 4.845 30.542 31 HA LEU 4 HA LEU 4 28.350 6.111 28.244 32 HB2 LEU 4 HB2 LEU 4 30.048 6.595 30.762 33 HB3 LEU 4 HB1 LEU 4 29.870 7.798 29.442 34 HG LEU 4 HG LEU 4 28.085 7.158 31.702 35 HD11 LEU 4 HD11 LEU 4 27.348 9.560 30.181 36 HD12 LEU 4 HD12 LEU 4 29.139 9.459 30.331 37 HD13 LEU 4 HD13 LEU 4 28.108 9.423 31.810 38 HD21 LEU 4 HD21 LEU 4 26.419 6.150 30.430 39 HD22 LEU 4 HD22 LEU 4 26.908 6.958 28.892 40 HD23 LEU 4 HD23 LEU 4 25.990 7.875 30.139 41 H SER 5 HN SER 5 29.303 5.242 26.527 42 HA SER 5 HA SER 5 31.988 4.153 26.726 43 HB2 SER 5 HB2 SER 5 31.582 3.653 24.177 44 HB3 SER 5 HB1 SER 5 30.602 2.730 25.385 45 HG SER 5 HG SER 5 28.966 3.525 24.428 46 H DPP 6 HN DPP 6 30.689 6.016 23.854 47 HA DPP 6 HA DPP 6 33.239 7.303 23.582 48 HB2 DPP 6 HB2 DPP 6 31.338 6.798 21.653 49 HB3 DPP 6 HB3 DPP 6 32.432 8.219 21.504 50 H PHE 7 HN PHE 7 31.972 7.735 26.229 51 HA PHE 7 HA PHE 7 30.397 9.924 26.000 52 HB2 PHE 7 HB2 PHE 7 31.150 8.540 28.323 53 HB3 PHE 7 HB1 PHE 7 31.267 10.352 28.548 54 HD1 PHE 7 HD1 PHE 7 29.093 7.643 27.505 55 HD2 PHE 7 HD2 PHE 7 29.502 11.754 28.178 56 HE1 PHE 7 HE1 PHE 7 26.702 7.937 27.315 57 HE2 PHE 7 HE2 PHE 7 27.152 12.046 27.957 58 HZ PHE 7 HZ PHE 7 25.824 10.129 27.592 59 H PHE 8 HN PHE 8 30.191 11.588 26.445 60 HA PHE 8 HA PHE 8 30.304 13.531 26.638 61 HB2 PHE 8 HB2 PHE 8 33.130 13.022 27.638 62 HB3 PHE 8 HB1 PHE 8 32.699 14.739 27.154 63 HD1 PHE 8 HD1 PHE 8 31.905 11.945 29.329 64 HD2 PHE 8 HD2 PHE 8 30.849 15.743 27.868 65 HE1 PHE 8 HE1 PHE 8 29.917 11.884 30.697 66 HE2 PHE 8 HE2 PHE 8 28.905 15.779 29.219 67 HZ PHE 8 HZ PHE 8 28.411 13.844 30.684 68 H ARG 9 HN ARG 9 30.250 15.066 25.818 69 HA ARG 9 HA ARG 9 29.841 16.267 24.300 70 HB2 ARG 9 HB2 ARG 9 32.548 15.876 22.993 71 HB3 ARG 9 HB1 ARG 9 31.502 17.333 22.872 72 HG2 ARG 9 HG2 ARG 9 32.501 18.239 24.692 73 HG3 ARG 9 HG1 ARG 9 31.965 16.842 25.701 74 HD2 ARG 9 HD2 ARG 9 34.595 17.074 24.080 75 HD3 ARG 9 HD1 ARG 9 34.393 16.930 25.889 76 HE ARG 9 HE ARG 9 33.030 14.717 24.641 77 HH11 ARG 9 HH11 ARG 9 36.317 16.071 25.145 78 HH12 ARG 9 HH12 ARG 9 37.123 14.539 25.117 79 HH21 ARG 9 HH21 ARG 9 34.149 12.640 24.604 80 HH22 ARG 9 HH22 ARG 9 35.869 12.552 24.804 81 H GLN 10 HN GLN 10 28.580 14.116 24.028 82 HA GLN 10 HA GLN 10 28.348 13.868 21.295 83 HB2 GLN 10 HB2 GLN 10 30.371 12.650 21.342 84 HB3 GLN 10 HB1 GLN 10 30.064 12.210 23.062 85 HG2 GLN 10 HG2 GLN 10 28.443 10.467 22.341 86 HG3 GLN 10 HG1 GLN 10 28.665 10.910 20.610 87 HE21 GLN 10 HE21 GLN 10 29.572 8.400 22.590 88 H PHE 11 HN PHE 11 27.195 13.765 24.362 89 HA PHE 11 HA PHE 11 24.950 12.086 23.590 90 HB2 PHE 11 HB2 PHE 11 26.407 12.319 26.191 91 HB3 PHE 11 HB1 PHE 11 24.992 11.207 25.882 92 HD1 PHE 11 HD1 PHE 11 28.331 12.232 24.906 93 HD2 PHE 11 HD2 PHE 11 25.430 9.139 25.133 94 HE1 PHE 11 HE1 PHE 11 29.985 10.591 24.318 95 HE2 PHE 11 HE2 PHE 11 27.102 7.466 24.585 96 HZ PHE 11 HZ PHE 11 29.412 8.169 24.152 97 H ILE 12 HN ILE 12 26.564 14.240 25.545 98 HA ILE 12 HA ILE 12 24.362 15.207 26.916 99 HB ILE 12 HB ILE 12 27.145 16.244 26.889 100 HG12 ILE 12 HG12 ILE 12 27.415 14.325 28.694 101 HG13 ILE 12 HG11 ILE 12 26.308 13.549 27.559 102 HG21 ILE 12 HG21 ILE 12 25.164 15.717 29.222 103 HG22 ILE 12 HG22 ILE 12 25.350 17.308 28.390 104 HG23 ILE 12 HG23 ILE 12 26.729 16.610 29.321 105 HD11 ILE 12 HD11 ILE 12 27.897 14.505 25.670 106 HD12 ILE 12 HD12 ILE 12 28.353 13.009 26.576 107 HD13 ILE 12 HD13 ILE 12 29.046 14.601 27.020 108 H LEU 13 HN LEU 13 26.573 15.520 24.625 109 HA LEU 13 HA LEU 13 26.218 18.306 24.167 110 HB2 LEU 13 HB2 LEU 13 28.063 16.052 24.550 111 HB3 LEU 13 HB1 LEU 13 28.571 17.255 23.231 112 HG LEU 13 HG LEU 13 29.267 18.804 24.783 113 HD11 LEU 13 HD11 LEU 13 26.601 18.265 26.223 114 HD12 LEU 13 HD12 LEU 13 27.053 19.694 25.226 115 HD13 LEU 13 HD13 LEU 13 27.830 19.435 26.834 116 HD21 LEU 13 HD21 LEU 13 30.387 17.513 26.278 117 HD22 LEU 13 HD22 LEU 13 29.193 16.189 26.055 118 HD23 LEU 13 HD23 LEU 13 28.910 17.448 27.315 119 H GLN 14 HN GLN 14 25.541 15.301 23.047 120 HA GLN 14 HA GLN 14 26.253 15.015 20.481 121 HB2 GLN 14 HB2 GLN 14 23.770 14.126 20.253 122 HB3 GLN 14 HB1 GLN 14 24.911 13.314 21.422 123 HG2 GLN 14 HG2 GLN 14 24.105 14.756 23.279 124 HG3 GLN 14 HG1 GLN 14 23.009 15.636 22.154 125 HE21 GLN 14 HE21 GLN 14 23.676 12.070 22.073 126 HE22 GLN 14 HE22 GLN 14 22.056 11.581 22.433 127 H ARG 15 HN ARG 15 23.886 17.264 21.743 128 HA ARG 15 HA ARG 15 22.657 17.739 19.275 129 HB2 ARG 15 HB2 ARG 15 21.434 19.489 20.472 130 HB3 ARG 15 HB1 ARG 15 21.565 18.017 21.504 131 HG2 ARG 15 HG2 ARG 15 23.598 19.019 22.627 132 HG3 ARG 15 HG1 ARG 15 23.353 20.519 21.675 133 HD2 ARG 15 HD2 ARG 15 21.207 19.351 23.580 134 HD3 ARG 15 HD1 ARG 15 22.392 20.646 24.040 135 HE ARG 15 HE ARG 15 21.366 22.108 22.332 136 HH11 ARG 15 HH11 ARG 15 19.652 19.056 23.045 137 HH12 ARG 15 HH12 ARG 15 18.124 19.601 22.438 138 HH21 ARG 15 HH21 ARG 15 19.291 22.833 21.511 139 HH22 ARG 15 HH22 ARG 15 17.917 21.780 21.552 140 H LYS 16 HN LYS 16 25.564 18.897 20.757 141 HA LYS 16 HA LYS 16 25.557 21.206 18.978 142 HB2 LYS 16 HB2 LYS 16 25.597 22.001 21.297 143 HB3 LYS 16 HB1 LYS 16 26.823 20.757 21.734 144 HG2 LYS 16 HG2 LYS 16 28.482 21.852 20.265 145 HG3 LYS 16 HG1 LYS 16 27.267 23.077 19.764 146 HD2 LYS 16 HD2 LYS 16 27.093 23.874 22.129 147 HD3 LYS 16 HD1 LYS 16 28.286 22.631 22.641 148 HE2 LYS 16 HE2 LYS 16 30.037 23.700 21.194 149 HE3 LYS 16 HE1 LYS 16 28.832 24.947 20.661 150 HZ1 LYS 16 HZ1 LYS 16 28.762 24.874 23.430 151 HZ2 LYS 16 HZ2 LYS 16 29.397 26.085 22.423 152 HZ3 LYS 16 HZ3 LYS 16 30.405 24.846 23.001 153 H LYS 17 HN LYS 17 27.473 18.831 20.752 154 HA LYS 17 HA LYS 17 29.419 17.838 20.274 155 HB2 LYS 17 HB2 LYS 17 27.654 17.546 17.956 156 HB3 LYS 17 HB1 LYS 17 29.372 17.536 17.418 157 HG2 LYS 17 HG2 LYS 17 29.875 15.733 19.090 158 HG3 LYS 17 HG1 LYS 17 28.149 15.738 19.597 159 HD2 LYS 17 HD2 LYS 17 27.467 15.100 17.273 160 HD3 LYS 17 HD1 LYS 17 29.192 15.099 16.765 161 HE2 LYS 17 HE2 LYS 17 29.678 13.246 18.391 162 HE3 LYS 17 HE1 LYS 17 27.941 13.252 18.913 163 HZ1 LYS 17 HZ1 LYS 17 27.509 11.938 17.240 164 HZ2 LYS 17 HZ2 LYS 17 29.128 11.965 16.730 165 HZ3 LYS 17 HZ3 LYS 17 28.028 13.108 16.124 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 25.780 -0.128 36.462 2 H2 ALA 1 HT2 ALA 1 27.390 -0.452 36.034 3 H3 ALA 1 HT3 ALA 1 26.394 0.436 34.982 4 HA ALA 1 HA ALA 1 26.239 1.847 37.264 5 HB1 ALA 1 HB1 ALA 1 28.655 2.204 37.960 6 HB2 ALA 1 HB2 ALA 1 29.133 0.859 36.856 7 HB3 ALA 1 HB3 ALA 1 28.094 0.522 38.292 8 H MET 2 HN MET 2 28.593 1.292 34.544 9 HA MET 2 HA MET 2 27.992 4.069 33.707 10 HB2 MET 2 HB2 MET 2 30.610 2.498 33.390 11 HB3 MET 2 HB1 MET 2 30.249 4.084 32.626 12 HG2 MET 2 HG2 MET 2 29.912 5.034 34.989 13 HG3 MET 2 HG1 MET 2 30.535 3.481 35.628 14 HE1 MET 2 HE1 MET 2 32.870 2.622 33.561 15 HE2 MET 2 HE2 MET 2 32.613 2.477 35.334 16 HE3 MET 2 HE3 MET 2 34.140 3.184 34.703 17 H ARG 3 HN ARG 3 27.058 4.194 31.918 18 HA ARG 3 HA ARG 3 27.242 1.963 30.084 19 HB2 ARG 3 HB2 ARG 3 24.921 2.680 30.438 20 HB3 ARG 3 HB1 ARG 3 25.461 4.403 30.432 21 HG2 ARG 3 HG2 ARG 3 25.929 4.360 28.056 22 HG3 ARG 3 HG1 ARG 3 25.651 2.587 27.960 23 HD2 ARG 3 HD2 ARG 3 23.370 4.368 28.970 24 HD3 ARG 3 HD1 ARG 3 23.736 4.316 27.190 25 HE ARG 3 HE ARG 3 23.600 1.626 28.304 26 HH11 ARG 3 HH11 ARG 3 21.669 4.468 27.369 27 HH12 ARG 3 HH12 ARG 3 20.272 3.562 26.890 28 HH21 ARG 3 HH21 ARG 3 21.700 0.382 27.638 29 HH22 ARG 3 HH22 ARG 3 20.294 1.198 27.043 30 H LEU 4 HN LEU 4 27.754 5.251 30.820 31 HA LEU 4 HA LEU 4 28.199 6.447 28.553 32 HB2 LEU 4 HB2 LEU 4 29.773 6.817 31.171 33 HB3 LEU 4 HB1 LEU 4 29.772 8.020 29.827 34 HG LEU 4 HG LEU 4 27.870 7.621 32.027 35 HD11 LEU 4 HD11 LEU 4 27.279 9.967 30.392 36 HD12 LEU 4 HD12 LEU 4 29.066 9.764 30.484 37 HD13 LEU 4 HD13 LEU 4 28.094 9.876 31.999 38 HD21 LEU 4 HD21 LEU 4 25.862 8.382 30.345 39 HD22 LEU 4 HD22 LEU 4 26.141 6.665 30.815 40 HD23 LEU 4 HD23 LEU 4 26.733 7.274 29.223 41 H SER 5 HN SER 5 29.199 5.495 26.916 42 HA SER 5 HA SER 5 31.807 4.254 27.366 43 HB2 SER 5 HB2 SER 5 31.471 3.480 24.878 44 HB3 SER 5 HB1 SER 5 30.429 2.719 26.145 45 HG SER 5 HG SER 5 28.786 3.558 25.231 46 H DPP 6 HN DPP 6 30.565 5.920 24.337 47 HA DPP 6 HA DPP 6 33.170 7.066 23.954 48 HB2 DPP 6 HB2 DPP 6 31.229 6.499 22.083 49 HB3 DPP 6 HB3 DPP 6 32.387 7.851 21.816 50 H PHE 7 HN PHE 7 31.936 7.736 26.570 51 HA PHE 7 HA PHE 7 30.447 9.965 26.188 52 HB2 PHE 7 HB2 PHE 7 31.142 8.721 28.608 53 HB3 PHE 7 HB1 PHE 7 31.348 10.537 28.701 54 HD1 PHE 7 HD1 PHE 7 29.065 7.871 27.853 55 HD2 PHE 7 HD2 PHE 7 29.640 11.991 28.233 56 HE1 PHE 7 HE1 PHE 7 26.683 8.244 27.643 57 HE2 PHE 7 HE2 PHE 7 27.304 12.363 27.994 58 HZ PHE 7 HZ PHE 7 25.894 10.484 27.765 59 H PHE 8 HN PHE 8 30.309 11.671 26.500 60 HA PHE 8 HA PHE 8 30.505 13.619 26.559 61 HB2 PHE 8 HB2 PHE 8 33.319 13.067 27.576 62 HB3 PHE 8 HB1 PHE 8 32.948 14.763 26.981 63 HD1 PHE 8 HD1 PHE 8 32.073 12.155 29.347 64 HD2 PHE 8 HD2 PHE 8 31.140 15.878 27.631 65 HE1 PHE 8 HE1 PHE 8 30.092 12.254 30.725 66 HE2 PHE 8 HE2 PHE 8 29.208 16.076 28.983 67 HZ PHE 8 HZ PHE 8 28.654 14.265 30.584 68 H ARG 9 HN ARG 9 30.495 15.090 25.629 69 HA ARG 9 HA ARG 9 30.117 16.197 24.027 70 HB2 ARG 9 HB2 ARG 9 32.807 15.611 22.752 71 HB3 ARG 9 HB1 ARG 9 31.812 17.089 22.517 72 HG2 ARG 9 HG2 ARG 9 32.836 18.101 24.268 73 HG3 ARG 9 HG1 ARG 9 32.271 16.795 25.378 74 HD2 ARG 9 HD2 ARG 9 34.895 16.840 23.734 75 HD3 ARG 9 HD1 ARG 9 34.698 16.824 25.548 76 HE ARG 9 HE ARG 9 33.265 14.572 24.476 77 HH11 ARG 9 HH11 ARG 9 36.595 15.866 24.801 78 HH12 ARG 9 HH12 ARG 9 37.363 14.315 24.854 79 HH21 ARG 9 HH21 ARG 9 34.328 12.465 24.547 80 HH22 ARG 9 HH22 ARG 9 36.050 12.345 24.706 81 H GLN 10 HN GLN 10 28.790 14.075 23.923 82 HA GLN 10 HA GLN 10 28.527 13.634 21.219 83 HB2 GLN 10 HB2 GLN 10 30.511 12.353 21.354 84 HB3 GLN 10 HB1 GLN 10 30.192 12.047 23.101 85 HG2 GLN 10 HG2 GLN 10 28.503 10.325 22.507 86 HG3 GLN 10 HG1 GLN 10 28.736 10.633 20.749 87 HE21 GLN 10 HE21 GLN 10 29.543 8.237 22.896 88 H PHE 11 HN PHE 11 27.387 13.829 24.279 89 HA PHE 11 HA PHE 11 25.073 12.186 23.646 90 HB2 PHE 11 HB2 PHE 11 26.561 12.537 26.214 91 HB3 PHE 11 HB1 PHE 11 25.099 11.466 25.991 92 HD1 PHE 11 HD1 PHE 11 28.473 12.279 24.937 93 HD2 PHE 11 HD2 PHE 11 25.446 9.333 25.379 94 HE1 PHE 11 HE1 PHE 11 30.056 10.532 24.466 95 HE2 PHE 11 HE2 PHE 11 27.044 7.558 24.946 96 HZ PHE 11 HZ PHE 11 29.382 8.131 24.468 97 H ILE 12 HN ILE 12 26.791 14.406 25.435 98 HA ILE 12 HA ILE 12 24.641 15.548 26.758 99 HB ILE 12 HB ILE 12 27.462 16.462 26.648 100 HG12 ILE 12 HG12 ILE 12 27.660 14.653 28.574 101 HG13 ILE 12 HG11 ILE 12 26.515 13.858 27.490 102 HG21 ILE 12 HG21 ILE 12 25.380 16.239 28.943 103 HG22 ILE 12 HG22 ILE 12 25.858 17.759 28.095 104 HG23 ILE 12 HG23 ILE 12 27.054 16.884 29.124 105 HD11 ILE 12 HD11 ILE 12 28.130 14.615 25.542 106 HD12 ILE 12 HD12 ILE 12 28.536 13.169 26.546 107 HD13 ILE 12 HD13 ILE 12 29.291 14.761 26.877 108 H LEU 13 HN LEU 13 26.814 15.613 24.411 109 HA LEU 13 HA LEU 13 26.570 18.384 23.808 110 HB2 LEU 13 HB2 LEU 13 28.325 16.073 24.279 111 HB3 LEU 13 HB1 LEU 13 28.858 17.168 22.876 112 HG LEU 13 HG LEU 13 29.681 18.756 24.323 113 HD11 LEU 13 HD11 LEU 13 27.001 18.498 25.814 114 HD12 LEU 13 HD12 LEU 13 27.523 19.813 24.699 115 HD13 LEU 13 HD13 LEU 13 28.307 19.638 26.315 116 HD21 LEU 13 HD21 LEU 13 29.448 16.253 25.771 117 HD22 LEU 13 HD22 LEU 13 29.231 17.602 26.944 118 HD23 LEU 13 HD23 LEU 13 30.716 17.518 25.920 119 H GLN 14 HN GLN 14 25.821 15.319 22.857 120 HA GLN 14 HA GLN 14 26.445 14.973 20.264 121 HB2 GLN 14 HB2 GLN 14 24.040 13.947 20.156 122 HB3 GLN 14 HB1 GLN 14 25.216 13.261 21.366 123 HG2 GLN 14 HG2 GLN 14 24.354 14.830 23.118 124 HG3 GLN 14 HG1 GLN 14 23.153 15.485 21.935 125 HE21 GLN 14 HE21 GLN 14 21.291 14.745 23.078 126 HE22 GLN 14 HE22 GLN 14 20.854 13.073 23.166 127 H ARG 15 HN ARG 15 24.042 17.216 21.558 128 HA ARG 15 HA ARG 15 22.912 17.511 18.951 129 HB2 ARG 15 HB2 ARG 15 21.190 18.849 20.011 130 HB3 ARG 15 HB1 ARG 15 21.493 17.386 21.019 131 HG2 ARG 15 HG2 ARG 15 23.011 18.701 22.500 132 HG3 ARG 15 HG1 ARG 15 22.724 20.164 21.505 133 HD2 ARG 15 HD2 ARG 15 21.275 20.271 23.521 134 HD3 ARG 15 HD1 ARG 15 20.221 19.999 22.068 135 HE ARG 15 HE ARG 15 19.727 17.823 22.875 136 HH11 ARG 15 HH11 ARG 15 22.395 19.315 24.709 137 HH12 ARG 15 HH12 ARG 15 22.422 18.107 25.949 138 HH21 ARG 15 HH21 ARG 15 19.750 16.195 24.575 139 HH22 ARG 15 HH22 ARG 15 20.890 16.307 25.874 140 H LYS 16 HN LYS 16 25.385 19.039 20.838 141 HA LYS 16 HA LYS 16 24.929 21.570 19.401 142 HB2 LYS 16 HB2 LYS 16 26.909 20.971 21.674 143 HB3 LYS 16 HB1 LYS 16 26.500 22.596 21.005 144 HG2 LYS 16 HG2 LYS 16 24.141 22.306 21.817 145 HG3 LYS 16 HG1 LYS 16 24.608 20.711 22.506 146 HD2 LYS 16 HD2 LYS 16 26.281 21.837 23.988 147 HD3 LYS 16 HD1 LYS 16 25.820 23.434 23.301 148 HE2 LYS 16 HE2 LYS 16 23.485 23.147 24.183 149 HE3 LYS 16 HE1 LYS 16 23.944 21.532 24.868 150 HZ1 LYS 16 HZ1 LYS 16 24.105 23.865 26.160 151 HZ2 LYS 16 HZ2 LYS 16 25.696 23.721 25.586 152 HZ3 LYS 16 HZ3 LYS 16 25.021 22.485 26.533 153 H LYS 17 HN LYS 17 26.897 18.898 20.178 154 HA LYS 17 HA LYS 17 28.834 19.704 18.086 155 HB2 LYS 17 HB2 LYS 17 29.134 18.044 20.639 156 HB3 LYS 17 HB1 LYS 17 30.379 18.027 19.332 157 HG2 LYS 17 HG2 LYS 17 30.671 20.504 19.589 158 HG3 LYS 17 HG1 LYS 17 29.429 20.517 20.887 159 HD2 LYS 17 HD2 LYS 17 30.859 18.982 22.261 160 HD3 LYS 17 HD1 LYS 17 32.103 18.983 20.966 161 HE2 LYS 17 HE2 LYS 17 31.145 21.504 22.484 162 HE3 LYS 17 HE1 LYS 17 32.661 20.577 22.845 163 HZ1 LYS 17 HZ1 LYS 17 33.613 21.828 21.342 164 HZ2 LYS 17 HZ2 LYS 17 32.144 22.514 20.836 165 HZ3 LYS 17 HZ3 LYS 17 32.690 21.066 20.137 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 26.591 1.065 37.260 2 H2 ALA 1 HT2 ALA 1 27.251 2.001 38.514 3 H3 ALA 1 HT3 ALA 1 28.152 1.719 37.103 4 HA ALA 1 HA ALA 1 25.617 2.876 36.551 5 HB1 ALA 1 HB1 ALA 1 26.028 3.940 38.807 6 HB2 ALA 1 HB2 ALA 1 26.124 5.155 37.475 7 HB3 ALA 1 HB3 ALA 1 27.637 4.506 38.216 8 H MET 2 HN MET 2 27.478 1.639 34.892 9 HA MET 2 HA MET 2 28.566 3.989 33.501 10 HB2 MET 2 HB2 MET 2 29.911 1.225 33.656 11 HB3 MET 2 HB1 MET 2 30.466 2.623 32.668 12 HG2 MET 2 HG2 MET 2 30.304 2.560 35.743 13 HG3 MET 2 HG1 MET 2 31.791 2.303 34.778 14 HE1 MET 2 HE1 MET 2 32.873 3.996 36.312 15 HE2 MET 2 HE2 MET 2 31.344 4.386 37.172 16 HE3 MET 2 HE3 MET 2 32.379 5.710 36.534 17 H ARG 3 HN ARG 3 28.961 3.553 31.245 18 HA ARG 3 HA ARG 3 27.895 1.503 29.820 19 HB2 ARG 3 HB2 ARG 3 25.609 2.112 30.577 20 HB3 ARG 3 HB1 ARG 3 26.033 3.861 30.402 21 HG2 ARG 3 HG2 ARG 3 26.160 3.707 28.012 22 HG3 ARG 3 HG1 ARG 3 26.015 1.914 28.039 23 HD2 ARG 3 HD2 ARG 3 23.665 2.052 28.826 24 HD3 ARG 3 HD1 ARG 3 23.797 3.858 29.002 25 HE ARG 3 HE ARG 3 24.507 3.272 26.320 26 HH11 ARG 3 HH11 ARG 3 21.740 2.835 28.519 27 HH12 ARG 3 HH12 ARG 3 20.537 2.936 27.276 28 HH21 ARG 3 HH21 ARG 3 22.873 3.408 24.628 29 HH22 ARG 3 HH22 ARG 3 21.194 3.267 25.025 30 H LEU 4 HN LEU 4 28.178 4.819 30.561 31 HA LEU 4 HA LEU 4 28.285 6.069 28.256 32 HB2 LEU 4 HB2 LEU 4 29.963 6.581 30.784 33 HB3 LEU 4 HB1 LEU 4 29.794 7.774 29.454 34 HG LEU 4 HG LEU 4 27.986 7.143 31.696 35 HD11 LEU 4 HD11 LEU 4 27.264 9.529 30.133 36 HD12 LEU 4 HD12 LEU 4 29.051 9.438 30.333 37 HD13 LEU 4 HD13 LEU 4 27.979 9.410 31.785 38 HD21 LEU 4 HD21 LEU 4 26.363 6.096 30.387 39 HD22 LEU 4 HD22 LEU 4 26.840 6.947 28.868 40 HD23 LEU 4 HD23 LEU 4 25.897 7.818 30.129 41 H SER 5 HN SER 5 29.249 5.174 26.554 42 HA SER 5 HA SER 5 31.927 4.092 26.763 43 HB2 SER 5 HB2 SER 5 31.549 3.618 24.207 44 HB3 SER 5 HB1 SER 5 30.539 2.699 25.393 45 HG SER 5 HG SER 5 28.944 3.510 24.375 46 H DPP 6 HN DPP 6 30.701 5.977 23.880 47 HA DPP 6 HA DPP 6 33.265 7.246 23.665 48 HB2 DPP 6 HB2 DPP 6 31.404 6.755 21.697 49 HB3 DPP 6 HB3 DPP 6 32.509 8.170 21.571 50 H PHE 7 HN PHE 7 31.944 7.684 26.283 51 HA PHE 7 HA PHE 7 30.389 9.884 26.024 52 HB2 PHE 7 HB2 PHE 7 31.089 8.494 28.359 53 HB3 PHE 7 HB1 PHE 7 31.214 10.304 28.589 54 HD1 PHE 7 HD1 PHE 7 29.038 7.607 27.512 55 HD2 PHE 7 HD2 PHE 7 29.467 11.719 28.179 56 HE1 PHE 7 HE1 PHE 7 26.652 7.919 27.280 57 HE2 PHE 7 HE2 PHE 7 27.123 12.028 27.913 58 HZ PHE 7 HZ PHE 7 25.788 10.118 27.532 59 H PHE 8 HN PHE 8 30.187 11.549 26.464 60 HA PHE 8 HA PHE 8 30.312 13.491 26.662 61 HB2 PHE 8 HB2 PHE 8 33.112 12.959 27.719 62 HB3 PHE 8 HB1 PHE 8 32.706 14.679 27.228 63 HD1 PHE 8 HD1 PHE 8 31.846 11.892 29.386 64 HD2 PHE 8 HD2 PHE 8 30.849 15.696 27.903 65 HE1 PHE 8 HE1 PHE 8 29.831 11.847 30.713 66 HE2 PHE 8 HE2 PHE 8 28.879 15.749 29.214 67 HZ PHE 8 HZ PHE 8 28.341 13.819 30.670 68 H ARG 9 HN ARG 9 30.281 15.025 25.839 69 HA ARG 9 HA ARG 9 29.920 16.234 24.310 70 HB2 ARG 9 HB2 ARG 9 32.653 15.797 23.067 71 HB3 ARG 9 HB1 ARG 9 31.633 17.270 22.919 72 HG2 ARG 9 HG2 ARG 9 32.593 18.166 24.765 73 HG3 ARG 9 HG1 ARG 9 32.034 16.769 25.760 74 HD2 ARG 9 HD2 ARG 9 34.688 16.974 24.172 75 HD3 ARG 9 HD1 ARG 9 34.465 16.862 25.981 76 HE ARG 9 HE ARG 9 33.101 14.641 24.733 77 HH11 ARG 9 HH11 ARG 9 36.380 15.971 25.332 78 HH12 ARG 9 HH12 ARG 9 37.172 14.431 25.363 79 HH21 ARG 9 HH21 ARG 9 34.200 12.551 24.778 80 HH22 ARG 9 HH22 ARG 9 35.909 12.451 25.042 81 H GLN 10 HN GLN 10 28.644 14.091 24.017 82 HA GLN 10 HA GLN 10 28.463 13.839 21.283 83 HB2 GLN 10 HB2 GLN 10 30.480 12.609 21.371 84 HB3 GLN 10 HB1 GLN 10 30.135 12.170 23.083 85 HG2 GLN 10 HG2 GLN 10 28.519 10.440 22.330 86 HG3 GLN 10 HG1 GLN 10 28.776 10.882 20.604 87 HE21 GLN 10 HE21 GLN 10 29.627 8.366 22.598 88 H PHE 11 HN PHE 11 27.249 13.759 24.323 89 HA PHE 11 HA PHE 11 25.003 12.096 23.511 90 HB2 PHE 11 HB2 PHE 11 26.412 12.311 26.140 91 HB3 PHE 11 HB1 PHE 11 24.997 11.211 25.801 92 HD1 PHE 11 HD1 PHE 11 28.363 12.211 24.889 93 HD2 PHE 11 HD2 PHE 11 25.438 9.135 25.070 94 HE1 PHE 11 HE1 PHE 11 30.017 10.558 24.334 95 HE2 PHE 11 HE2 PHE 11 27.111 7.452 24.556 96 HZ PHE 11 HZ PHE 11 29.433 8.140 24.161 97 H ILE 12 HN ILE 12 26.604 14.240 25.492 98 HA ILE 12 HA ILE 12 24.386 15.218 26.831 99 HB ILE 12 HB ILE 12 27.177 16.228 26.857 100 HG12 ILE 12 HG12 ILE 12 27.390 14.301 28.663 101 HG13 ILE 12 HG11 ILE 12 26.298 13.542 27.504 102 HG21 ILE 12 HG21 ILE 12 25.298 17.269 28.323 103 HG22 ILE 12 HG22 ILE 12 26.726 16.664 29.245 104 HG23 ILE 12 HG23 ILE 12 25.208 15.690 29.193 105 HD11 ILE 12 HD11 ILE 12 29.056 14.564 27.020 106 HD12 ILE 12 HD12 ILE 12 27.936 14.486 25.650 107 HD13 ILE 12 HD13 ILE 12 28.357 12.981 26.563 108 H LEU 13 HN LEU 13 26.634 15.522 24.577 109 HA LEU 13 HA LEU 13 26.312 18.313 24.132 110 HB2 LEU 13 HB2 LEU 13 28.128 16.031 24.517 111 HB3 LEU 13 HB1 LEU 13 28.665 17.236 23.210 112 HG LEU 13 HG LEU 13 29.369 18.762 24.780 113 HD11 LEU 13 HD11 LEU 13 27.160 19.689 25.191 114 HD12 LEU 13 HD12 LEU 13 27.914 19.418 26.809 115 HD13 LEU 13 HD13 LEU 13 26.673 18.265 26.183 116 HD21 LEU 13 HD21 LEU 13 30.441 17.433 26.278 117 HD22 LEU 13 HD22 LEU 13 29.207 16.146 26.053 118 HD23 LEU 13 HD23 LEU 13 28.954 17.420 27.304 119 H GLN 14 HN GLN 14 25.693 15.286 22.973 120 HA GLN 14 HA GLN 14 26.384 15.080 20.396 121 HB2 GLN 14 HB2 GLN 14 23.952 14.101 20.158 122 HB3 GLN 14 HB1 GLN 14 25.097 13.325 21.343 123 HG2 GLN 14 HG2 GLN 14 24.219 14.784 23.179 124 HG3 GLN 14 HG1 GLN 14 23.056 15.543 22.024 125 HE21 GLN 14 HE21 GLN 14 21.140 14.760 23.023 126 HE22 GLN 14 HE22 GLN 14 20.684 13.091 23.005 127 H ARG 15 HN ARG 15 23.937 17.217 21.720 128 HA ARG 15 HA ARG 15 22.718 17.687 19.238 129 HB2 ARG 15 HB2 ARG 15 21.338 19.290 20.450 130 HB3 ARG 15 HB1 ARG 15 21.565 17.810 21.457 131 HG2 ARG 15 HG2 ARG 15 23.607 19.029 22.512 132 HG3 ARG 15 HG1 ARG 15 22.972 20.522 21.738 133 HD2 ARG 15 HD2 ARG 15 22.104 20.488 24.029 134 HD3 ARG 15 HD1 ARG 15 20.709 20.044 22.949 135 HE ARG 15 HE ARG 15 22.172 17.674 23.827 136 HH11 ARG 15 HH11 ARG 15 19.844 20.187 24.799 137 HH12 ARG 15 HH12 ARG 15 19.046 19.208 25.984 138 HH21 ARG 15 HH21 ARG 15 21.092 16.343 25.444 139 HH22 ARG 15 HH22 ARG 15 19.769 16.985 26.357 140 H LYS 16 HN LYS 16 25.502 19.032 20.867 141 HA LYS 16 HA LYS 16 25.317 21.375 19.119 142 HB2 LYS 16 HB2 LYS 16 25.443 22.343 21.271 143 HB3 LYS 16 HB1 LYS 16 26.367 20.946 21.930 144 HG2 LYS 16 HG2 LYS 16 28.395 21.684 20.712 145 HG3 LYS 16 HG1 LYS 16 27.489 23.055 19.982 146 HD2 LYS 16 HD2 LYS 16 27.826 22.650 23.017 147 HD3 LYS 16 HD1 LYS 16 28.961 23.618 22.016 148 HE2 LYS 16 HE2 LYS 16 27.023 25.106 21.315 149 HE3 LYS 16 HE1 LYS 16 25.944 24.166 22.429 150 HZ1 LYS 16 HZ1 LYS 16 27.989 24.764 24.031 151 HZ2 LYS 16 HZ2 LYS 16 26.591 25.711 23.859 152 HZ3 LYS 16 HZ3 LYS 16 28.002 26.121 23.011 153 H LYS 17 HN LYS 17 27.184 18.763 20.488 154 HA LYS 17 HA LYS 17 29.354 19.334 18.594 155 HB2 LYS 17 HB2 LYS 17 29.058 17.770 21.166 156 HB3 LYS 17 HB1 LYS 17 30.266 17.171 19.970 157 HG2 LYS 17 HG2 LYS 17 30.262 20.124 20.731 158 HG3 LYS 17 HG1 LYS 17 30.949 18.926 21.879 159 HD2 LYS 17 HD2 LYS 17 32.462 18.076 20.050 160 HD3 LYS 17 HD1 LYS 17 31.801 19.327 18.942 161 HE2 LYS 17 HE2 LYS 17 33.169 20.003 21.630 162 HE3 LYS 17 HE1 LYS 17 34.040 19.939 20.041 163 HZ1 LYS 17 HZ1 LYS 17 33.356 21.970 19.687 164 HZ2 LYS 17 HZ2 LYS 17 32.465 21.994 21.131 165 HZ3 LYS 17 HZ3 LYS 17 31.737 21.462 19.693
Contact the webmaster for help, if required. Tuesday, June 25, 2024 11:52:53 PM GMT (wattos1)