NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635317 | 6e1l | 30232 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 1.807 0.001 0.856 2 HA CYS 1 HA CYS 1 1.867 0.912 -1.771 3 HB2 CYS 1 HB2 CYS 1 4.137 -0.133 -1.869 4 HB3 CYS 1 HB3 CYS 1 3.880 0.878 -0.451 5 H ALA 2 H ALA 2 -0.206 -0.611 -2.106 6 HA ALA 2 HA ALA 2 0.190 -3.307 -2.799 7 HB1 ALA 2 HB1 ALA 2 -1.897 -2.487 -4.391 8 HB2 ALA 2 HB2 ALA 2 -2.027 -3.064 -2.729 9 HB3 ALA 2 HB3 ALA 2 -1.935 -1.334 -3.057 10 H ASP 3 H ASP 3 0.255 -0.352 -4.762 11 HA ASP 3 HA ASP 3 0.678 -1.637 -7.241 12 HB2 ASP 3 HB2 ASP 3 1.193 1.166 -6.262 13 HB3 ASP 3 HB3 ASP 3 1.595 0.669 -7.903 14 H ALA 4 H ALA 4 2.938 -0.139 -4.942 15 HA ALA 4 HA ALA 4 5.303 -0.463 -6.322 16 HB1 ALA 4 HB1 ALA 4 5.639 -1.078 -3.509 17 HB2 ALA 4 HB2 ALA 4 6.216 0.304 -4.441 18 HB3 ALA 4 HB3 ALA 4 4.587 0.315 -3.765 19 H VAL 5 H VAL 5 3.411 -2.856 -4.609 20 HA VAL 5 HA VAL 5 5.215 -4.900 -4.240 21 HB VAL 5 HB VAL 5 2.353 -5.188 -5.166 22 HG11 VAL 5 HG11 VAL 5 3.515 -7.267 -5.456 23 HG12 VAL 5 HG12 VAL 5 4.228 -7.145 -3.846 24 HG13 VAL 5 HG13 VAL 5 2.491 -7.394 -4.026 25 HG21 VAL 5 HG21 VAL 5 3.582 -4.463 -2.599 26 HG22 VAL 5 HG22 VAL 5 1.955 -4.154 -3.207 27 HG23 VAL 5 HG23 VAL 5 2.352 -5.724 -2.507 28 H TYR 6 H TYR 6 3.647 -3.875 -7.212 29 HA TYR 6 HA TYR 6 4.140 -6.025 -8.867 30 HB2 TYR 6 HB2 TYR 6 3.896 -3.087 -9.301 31 HB3 TYR 6 HB3 TYR 6 4.504 -4.065 -10.632 32 HD1 TYR 6 HD1 TYR 6 3.075 -5.946 -11.508 33 HD2 TYR 6 HD2 TYR 6 1.595 -3.041 -8.775 34 HE1 TYR 6 HE1 TYR 6 0.772 -6.556 -12.117 35 HE2 TYR 6 HE2 TYR 6 -0.713 -3.644 -9.375 36 HH TYR 6 HH TYR 6 -1.407 -5.877 -11.993 37 H THR 7 H THR 7 6.232 -3.143 -8.628 38 HA THR 7 HA THR 7 8.404 -4.414 -9.967 39 HB THR 7 HB THR 7 8.922 -2.052 -8.233 40 HG1 THR 7 HG1 THR 7 7.109 -2.107 -10.409 41 HG21 THR 7 HG21 THR 7 10.224 -3.334 -10.320 42 HG22 THR 7 HG22 THR 7 10.616 -1.746 -9.660 43 HG23 THR 7 HG23 THR 7 9.554 -1.882 -11.062 44 H CYS 8 H CYS 8 7.651 -3.725 -6.581 45 HA CYS 8 HA CYS 8 10.052 -4.413 -5.394 46 HB2 CYS 8 HB2 CYS 8 7.223 -4.338 -4.540 47 HB3 CYS 8 HB3 CYS 8 8.283 -5.348 -3.563 48 H ARG 9 H ARG 9 7.485 -6.488 -6.598 49 HA ARG 9 HA ARG 9 8.163 -8.910 -5.465 50 HB2 ARG 9 HB2 ARG 9 6.908 -8.118 -8.054 51 HB3 ARG 9 HB3 ARG 9 7.376 -9.798 -7.834 52 HG2 ARG 9 HG2 ARG 9 5.753 -8.452 -5.729 53 HG3 ARG 9 HG3 ARG 9 4.974 -8.998 -7.216 54 HD2 ARG 9 HD2 ARG 9 4.735 -10.871 -5.924 55 HD3 ARG 9 HD3 ARG 9 6.283 -11.218 -6.693 56 HE ARG 9 HE ARG 9 6.575 -9.831 -4.209 57 HH11 ARG 9 HH11 ARG 9 6.079 -12.957 -5.658 58 HH12 ARG 9 HH12 ARG 9 6.764 -13.828 -4.326 59 HH21 ARG 9 HH21 ARG 9 7.479 -10.965 -2.449 60 HH22 ARG 9 HH22 ARG 9 7.559 -12.694 -2.501 61 H ALA 10 H ALA 10 9.675 -7.224 -8.147 62 HA ALA 10 HA ALA 10 11.245 -9.256 -9.206 63 HB1 ALA 10 HB1 ALA 10 12.329 -7.630 -10.374 64 HB2 ALA 10 HB2 ALA 10 10.916 -6.709 -9.856 65 HB3 ALA 10 HB3 ALA 10 12.441 -6.549 -8.985 66 H GLY 11 H GLY 11 11.966 -7.040 -6.520 67 HA2 GLY 11 HA2 GLY 11 13.270 -8.721 -4.849 68 HA3 GLY 11 HA3 GLY 11 14.518 -8.299 -6.013 69 H GLN 12 H GLN 12 11.985 -6.602 -4.158 70 HA GLN 12 HA GLN 12 14.025 -4.843 -3.045 71 HB2 GLN 12 HB2 GLN 12 11.577 -3.660 -4.344 72 HB3 GLN 12 HB3 GLN 12 12.996 -2.817 -3.737 73 HG2 GLN 12 HG2 GLN 12 14.315 -4.026 -5.520 74 HG3 GLN 12 HG3 GLN 12 12.764 -4.518 -6.199 75 HE21 GLN 12 HE21 GLN 12 14.927 -1.868 -5.603 76 HE22 GLN 12 HE22 GLN 12 14.148 -0.730 -6.643 77 H THR 13 H THR 13 12.866 -3.205 -1.504 78 HA THR 13 HA THR 13 10.842 -4.720 0.012 79 HB THR 13 HB THR 13 12.513 -2.658 1.369 80 HG1 THR 13 HG1 THR 13 13.413 -5.246 0.595 81 HG21 THR 13 HG21 THR 13 10.952 -3.597 2.809 82 HG22 THR 13 HG22 THR 13 12.387 -4.573 3.127 83 HG23 THR 13 HG23 THR 13 11.106 -5.200 2.091 84 H CYS 14 H CYS 14 9.254 -3.494 1.178 85 HA CYS 14 HA CYS 14 8.472 -1.085 -0.263 86 HB2 CYS 14 HB2 CYS 14 7.084 -3.243 1.027 87 HB3 CYS 14 HB3 CYS 14 6.563 -1.714 1.727 88 H CYS 15 H CYS 15 9.340 0.743 0.480 89 HA CYS 15 HA CYS 15 9.470 1.143 3.396 90 HB2 CYS 15 HB2 CYS 15 11.065 2.641 1.314 91 HB3 CYS 15 HB3 CYS 15 11.311 2.636 3.057 92 H ARG 16 H ARG 16 9.466 3.620 3.907 93 HA ARG 16 HA ARG 16 7.009 4.673 2.727 94 HB2 ARG 16 HB2 ARG 16 8.486 5.147 5.287 95 HB3 ARG 16 HB3 ARG 16 7.382 6.379 4.690 96 HG2 ARG 16 HG2 ARG 16 5.625 4.567 4.576 97 HG3 ARG 16 HG3 ARG 16 6.750 3.553 5.483 98 HD2 ARG 16 HD2 ARG 16 5.901 6.280 6.425 99 HD3 ARG 16 HD3 ARG 16 5.004 4.816 6.829 100 HE ARG 16 HE ARG 16 7.533 4.217 7.576 101 HH11 ARG 16 HH11 ARG 16 5.408 6.891 8.251 102 HH12 ARG 16 HH12 ARG 16 6.078 7.196 9.820 103 HH21 ARG 16 HH21 ARG 16 8.424 4.610 9.639 104 HH22 ARG 16 HH22 ARG 16 7.794 5.899 10.608 105 H GLY 17 H GLY 17 7.804 5.480 0.765 106 HA2 GLY 17 HA2 GLY 17 10.056 7.120 0.462 107 HA3 GLY 17 HA3 GLY 17 8.680 7.078 -0.630 108 H LEU 18 H LEU 18 9.445 9.424 -0.719 109 HA LEU 18 HA LEU 18 8.957 11.169 1.440 110 HB2 LEU 18 HB2 LEU 18 9.138 12.948 -0.152 111 HB3 LEU 18 HB3 LEU 18 10.341 11.717 -0.530 112 HG LEU 18 HG LEU 18 8.431 10.918 -2.201 113 HD11 LEU 18 HD11 LEU 18 7.975 13.726 -2.758 114 HD12 LEU 18 HD12 LEU 18 7.296 13.233 -1.207 115 HD13 LEU 18 HD13 LEU 18 6.831 12.386 -2.682 116 HD21 LEU 18 HD21 LEU 18 10.044 13.302 -3.013 117 HD22 LEU 18 HD22 LEU 18 9.707 11.818 -3.906 118 HD23 LEU 18 HD23 LEU 18 10.847 11.798 -2.559 119 H HIS 19 H HIS 19 6.924 10.017 -1.199 120 HA HIS 19 HA HIS 19 4.717 11.727 -0.532 121 HB2 HIS 19 HB2 HIS 19 5.292 10.632 -2.819 122 HB3 HIS 19 HB3 HIS 19 4.468 9.218 -2.167 123 HD1 HIS 19 HD1 HIS 19 2.016 9.153 -2.516 124 HD2 HIS 19 HD2 HIS 19 3.526 13.013 -2.811 125 HE1 HIS 19 HE1 HIS 19 0.070 10.585 -3.215 126 H GLY 20 H GLY 20 5.459 8.279 -0.087 127 HA2 GLY 20 HA2 GLY 20 4.366 7.979 2.413 128 HA3 GLY 20 HA3 GLY 20 3.021 7.733 1.309 129 H TYR 21 H TYR 21 4.203 6.387 -0.762 130 HA TYR 21 HA TYR 21 5.355 3.990 0.495 131 HB2 TYR 21 HB2 TYR 21 3.006 4.175 -1.375 132 HB3 TYR 21 HB3 TYR 21 3.965 2.704 -1.266 133 HD1 TYR 21 HD1 TYR 21 0.991 3.901 -0.291 134 HD2 TYR 21 HD2 TYR 21 4.509 2.309 1.496 135 HE1 TYR 21 HE1 TYR 21 -0.328 3.193 1.660 136 HE2 TYR 21 HE2 TYR 21 3.199 1.596 3.452 137 HH TYR 21 HH TYR 21 -0.151 1.465 3.473 138 H GLY 22 H GLY 22 7.003 3.044 -0.585 139 HA2 GLY 22 HA2 GLY 22 7.435 3.341 -3.388 140 HA3 GLY 22 HA3 GLY 22 8.483 4.414 -2.472 141 H CYS 23 H CYS 23 8.792 1.817 -4.129 142 HA CYS 23 HA CYS 23 9.817 -0.125 -2.317 143 HB2 CYS 23 HB2 CYS 23 10.025 0.259 -5.296 144 HB3 CYS 23 HB3 CYS 23 10.893 -1.034 -4.474 145 H CYS 24 H CYS 24 11.905 -0.579 -1.718 146 HA CYS 24 HA CYS 24 13.793 1.628 -1.999 147 HB2 CYS 24 HB2 CYS 24 13.467 -0.654 -0.107 148 HB3 CYS 24 HB3 CYS 24 15.084 0.004 -0.336 Start of MODEL 2 1 H1 CYS 1 H CYS 1 0.867 -0.640 1.536 2 HA CYS 1 HA CYS 1 1.399 -0.293 -0.738 3 HB2 CYS 1 HB2 CYS 1 3.755 -1.221 -1.003 4 HB3 CYS 1 HB3 CYS 1 3.472 -0.202 0.405 5 H ALA 2 H ALA 2 -0.497 -1.798 -1.367 6 HA ALA 2 HA ALA 2 0.082 -4.432 -2.253 7 HB1 ALA 2 HB1 ALA 2 -2.162 -4.188 -1.940 8 HB2 ALA 2 HB2 ALA 2 -2.183 -2.536 -2.558 9 HB3 ALA 2 HB3 ALA 2 -2.083 -3.895 -3.677 10 H ASP 3 H ASP 3 -0.362 -1.375 -4.033 11 HA ASP 3 HA ASP 3 0.250 -2.398 -6.572 12 HB2 ASP 3 HB2 ASP 3 -0.856 -0.252 -6.309 13 HB3 ASP 3 HB3 ASP 3 0.554 0.408 -5.487 14 H ALA 4 H ALA 4 2.304 -0.896 -4.109 15 HA ALA 4 HA ALA 4 4.676 -0.671 -5.498 16 HB1 ALA 4 HB1 ALA 4 3.893 -0.360 -2.876 17 HB2 ALA 4 HB2 ALA 4 5.092 -1.651 -2.791 18 HB3 ALA 4 HB3 ALA 4 5.517 -0.099 -3.513 19 H VAL 5 H VAL 5 3.161 -3.537 -4.181 20 HA VAL 5 HA VAL 5 5.242 -5.335 -4.105 21 HB VAL 5 HB VAL 5 2.432 -5.877 -5.077 22 HG11 VAL 5 HG11 VAL 5 4.689 -7.679 -4.274 23 HG12 VAL 5 HG12 VAL 5 3.009 -8.192 -4.110 24 HG13 VAL 5 HG13 VAL 5 3.650 -7.764 -5.696 25 HG21 VAL 5 HG21 VAL 5 2.989 -6.768 -2.411 26 HG22 VAL 5 HG22 VAL 5 3.362 -5.050 -2.554 27 HG23 VAL 5 HG23 VAL 5 1.754 -5.641 -2.974 28 H TYR 6 H TYR 6 3.463 -4.161 -6.907 29 HA TYR 6 HA TYR 6 4.277 -5.944 -8.847 30 HB2 TYR 6 HB2 TYR 6 3.522 -3.061 -8.865 31 HB3 TYR 6 HB3 TYR 6 4.254 -3.727 -10.320 32 HD1 TYR 6 HD1 TYR 6 3.144 -5.666 -11.467 33 HD2 TYR 6 HD2 TYR 6 1.264 -3.510 -8.318 34 HE1 TYR 6 HE1 TYR 6 0.965 -6.577 -12.153 35 HE2 TYR 6 HE2 TYR 6 -0.920 -4.415 -8.994 36 HH TYR 6 HH TYR 6 -1.207 -6.679 -11.718 37 H THR 7 H THR 7 5.846 -2.803 -8.206 38 HA THR 7 HA THR 7 8.161 -3.444 -9.724 39 HB THR 7 HB THR 7 9.140 -1.401 -8.752 40 HG1 THR 7 HG1 THR 7 6.728 -1.279 -7.233 41 HG21 THR 7 HG21 THR 7 7.699 0.131 -9.806 42 HG22 THR 7 HG22 THR 7 6.267 -0.830 -9.433 43 HG23 THR 7 HG23 THR 7 7.419 -1.395 -10.643 44 H CYS 8 H CYS 8 7.337 -3.659 -6.313 45 HA CYS 8 HA CYS 8 9.885 -4.078 -5.252 46 HB2 CYS 8 HB2 CYS 8 7.108 -4.612 -4.401 47 HB3 CYS 8 HB3 CYS 8 8.334 -5.616 -3.634 48 H ARG 9 H ARG 9 7.647 -6.299 -6.808 49 HA ARG 9 HA ARG 9 8.753 -8.737 -6.143 50 HB2 ARG 9 HB2 ARG 9 7.312 -7.722 -8.559 51 HB3 ARG 9 HB3 ARG 9 8.019 -9.332 -8.602 52 HG2 ARG 9 HG2 ARG 9 6.244 -8.539 -6.336 53 HG3 ARG 9 HG3 ARG 9 5.552 -9.031 -7.883 54 HD2 ARG 9 HD2 ARG 9 5.638 -11.053 -6.814 55 HD3 ARG 9 HD3 ARG 9 7.212 -11.051 -7.609 56 HE ARG 9 HE ARG 9 7.228 -9.955 -4.945 57 HH11 ARG 9 HH11 ARG 9 7.517 -12.835 -6.879 58 HH12 ARG 9 HH12 ARG 9 8.421 -13.705 -5.684 59 HH21 ARG 9 HH21 ARG 9 8.417 -11.090 -3.363 60 HH22 ARG 9 HH22 ARG 9 8.931 -12.712 -3.684 61 H ALA 10 H ALA 10 9.853 -6.377 -8.503 62 HA ALA 10 HA ALA 10 11.698 -7.900 -9.915 63 HB1 ALA 10 HB1 ALA 10 11.053 -5.628 -10.549 64 HB2 ALA 10 HB2 ALA 10 11.926 -4.990 -9.155 65 HB3 ALA 10 HB3 ALA 10 12.806 -5.798 -10.452 66 H GLY 11 H GLY 11 11.997 -6.318 -6.777 67 HA2 GLY 11 HA2 GLY 11 13.643 -7.888 -5.445 68 HA3 GLY 11 HA3 GLY 11 14.789 -7.160 -6.561 69 H GLN 12 H GLN 12 12.116 -6.038 -4.479 70 HA GLN 12 HA GLN 12 13.959 -4.217 -3.145 71 HB2 GLN 12 HB2 GLN 12 11.370 -3.166 -4.273 72 HB3 GLN 12 HB3 GLN 12 12.692 -2.250 -3.560 73 HG2 GLN 12 HG2 GLN 12 14.096 -3.151 -5.511 74 HG3 GLN 12 HG3 GLN 12 12.546 -3.554 -6.248 75 HE21 GLN 12 HE21 GLN 12 14.132 -0.838 -4.605 76 HE22 GLN 12 HE22 GLN 12 13.517 0.383 -5.662 77 H THR 13 H THR 13 12.648 -2.942 -1.398 78 HA THR 13 HA THR 13 10.780 -4.836 -0.125 79 HB THR 13 HB THR 13 12.357 -2.942 1.553 80 HG1 THR 13 HG1 THR 13 13.384 -5.241 0.246 81 HG21 THR 13 HG21 THR 13 12.369 -5.222 2.896 82 HG22 THR 13 HG22 THR 13 11.006 -5.580 1.837 83 HG23 THR 13 HG23 THR 13 10.956 -4.167 2.891 84 H CYS 14 H CYS 14 9.146 -3.917 1.245 85 HA CYS 14 HA CYS 14 8.009 -1.531 0.140 86 HB2 CYS 14 HB2 CYS 14 6.589 -3.405 0.825 87 HB3 CYS 14 HB3 CYS 14 7.130 -3.221 2.490 88 H CYS 15 H CYS 15 8.461 0.471 0.744 89 HA CYS 15 HA CYS 15 9.024 1.033 3.561 90 HB2 CYS 15 HB2 CYS 15 10.925 2.476 2.964 91 HB3 CYS 15 HB3 CYS 15 11.218 0.802 2.503 92 H ARG 16 H ARG 16 9.121 3.491 3.903 93 HA ARG 16 HA ARG 16 6.776 4.620 2.597 94 HB2 ARG 16 HB2 ARG 16 8.285 5.167 5.107 95 HB3 ARG 16 HB3 ARG 16 7.396 6.499 4.380 96 HG2 ARG 16 HG2 ARG 16 5.341 5.185 4.471 97 HG3 ARG 16 HG3 ARG 16 6.232 3.843 5.191 98 HD2 ARG 16 HD2 ARG 16 6.189 6.577 6.434 99 HD3 ARG 16 HD3 ARG 16 4.936 5.382 6.766 100 HE ARG 16 HE ARG 16 7.379 4.142 7.204 101 HH11 ARG 16 HH11 ARG 16 5.551 6.799 8.514 102 HH12 ARG 16 HH12 ARG 16 6.212 6.639 10.107 103 HH21 ARG 16 HH21 ARG 16 8.257 3.921 9.298 104 HH22 ARG 16 HH22 ARG 16 7.752 5.002 10.552 105 H GLY 17 H GLY 17 7.346 5.400 0.623 106 HA2 GLY 17 HA2 GLY 17 9.792 6.733 0.076 107 HA3 GLY 17 HA3 GLY 17 8.371 6.717 -0.958 108 H LEU 18 H LEU 18 9.800 8.980 -0.914 109 HA LEU 18 HA LEU 18 9.319 10.888 1.019 110 HB2 LEU 18 HB2 LEU 18 9.866 12.517 -0.584 111 HB3 LEU 18 HB3 LEU 18 10.776 11.075 -1.031 112 HG LEU 18 HG LEU 18 8.182 11.851 -2.348 113 HD11 LEU 18 HD11 LEU 18 9.485 12.801 -4.150 114 HD12 LEU 18 HD12 LEU 18 10.982 12.455 -3.285 115 HD13 LEU 18 HD13 LEU 18 9.846 13.639 -2.640 116 HD21 LEU 18 HD21 LEU 18 10.193 9.714 -2.676 117 HD22 LEU 18 HD22 LEU 18 9.570 10.440 -4.158 118 HD23 LEU 18 HD23 LEU 18 8.460 9.705 -3.001 119 H HIS 19 H HIS 19 7.198 9.728 -1.518 120 HA HIS 19 HA HIS 19 5.204 11.760 -1.065 121 HB2 HIS 19 HB2 HIS 19 5.059 9.183 -2.645 122 HB3 HIS 19 HB3 HIS 19 3.845 10.458 -2.661 123 HD1 HIS 19 HD1 HIS 19 5.870 12.861 -2.858 124 HD2 HIS 19 HD2 HIS 19 5.902 9.462 -5.247 125 HE1 HIS 19 HE1 HIS 19 7.061 13.533 -4.968 126 H GLY 20 H GLY 20 5.563 8.304 -0.330 127 HA2 GLY 20 HA2 GLY 20 4.414 8.284 2.144 128 HA3 GLY 20 HA3 GLY 20 3.044 8.164 1.050 129 H TYR 21 H TYR 21 3.901 6.535 -0.917 130 HA TYR 21 HA TYR 21 4.758 4.082 0.469 131 HB2 TYR 21 HB2 TYR 21 2.577 4.325 -1.613 132 HB3 TYR 21 HB3 TYR 21 3.170 2.811 -0.939 133 HD1 TYR 21 HD1 TYR 21 0.691 5.276 -0.677 134 HD2 TYR 21 HD2 TYR 21 3.079 2.684 1.706 135 HE1 TYR 21 HE1 TYR 21 -0.948 5.454 1.148 136 HE2 TYR 21 HE2 TYR 21 1.447 2.854 3.538 137 HH TYR 21 HH TYR 21 -0.893 5.186 3.704 138 H GLY 22 H GLY 22 6.368 2.994 -0.479 139 HA2 GLY 22 HA2 GLY 22 6.775 2.912 -3.299 140 HA3 GLY 22 HA3 GLY 22 7.903 4.021 -2.533 141 H CYS 23 H CYS 23 8.909 1.900 -3.873 142 HA CYS 23 HA CYS 23 9.564 -0.109 -1.835 143 HB2 CYS 23 HB2 CYS 23 9.815 -0.106 -4.841 144 HB3 CYS 23 HB3 CYS 23 10.571 -1.334 -3.831 145 H CYS 24 H CYS 24 11.682 -0.577 -1.278 146 HA CYS 24 HA CYS 24 13.675 1.420 -2.133 147 HB2 CYS 24 HB2 CYS 24 13.252 0.081 0.536 148 HB3 CYS 24 HB3 CYS 24 14.760 0.890 0.120 Start of MODEL 3 1 H1 CYS 1 H CYS 1 2.008 0.363 -0.705 2 HA CYS 1 HA CYS 1 2.603 1.117 -3.480 3 HB2 CYS 1 HB2 CYS 1 4.696 -0.155 -3.172 4 HB3 CYS 1 HB3 CYS 1 4.522 1.126 -1.976 5 H ALA 2 H ALA 2 0.243 -0.326 -2.995 6 HA ALA 2 HA ALA 2 0.363 -3.079 -3.164 7 HB1 ALA 2 HB1 ALA 2 -1.755 -2.098 -2.877 8 HB2 ALA 2 HB2 ALA 2 -1.589 -1.117 -4.333 9 HB3 ALA 2 HB3 ALA 2 -1.808 -2.861 -4.466 10 H ASP 3 H ASP 3 0.292 -0.769 -5.879 11 HA ASP 3 HA ASP 3 0.632 -2.737 -7.885 12 HB2 ASP 3 HB2 ASP 3 -0.286 -0.431 -8.251 13 HB3 ASP 3 HB3 ASP 3 1.350 0.195 -8.064 14 H ALA 4 H ALA 4 2.906 -0.557 -6.255 15 HA ALA 4 HA ALA 4 5.210 -1.103 -7.667 16 HB1 ALA 4 HB1 ALA 4 6.155 0.188 -6.122 17 HB2 ALA 4 HB2 ALA 4 4.577 0.262 -5.337 18 HB3 ALA 4 HB3 ALA 4 5.757 -0.946 -4.831 19 H VAL 5 H VAL 5 3.583 -3.063 -5.269 20 HA VAL 5 HA VAL 5 5.538 -4.842 -4.513 21 HB VAL 5 HB VAL 5 2.656 -5.500 -5.138 22 HG11 VAL 5 HG11 VAL 5 3.120 -7.275 -3.334 23 HG12 VAL 5 HG12 VAL 5 3.716 -7.569 -4.968 24 HG13 VAL 5 HG13 VAL 5 4.821 -7.007 -3.713 25 HG21 VAL 5 HG21 VAL 5 2.127 -4.310 -3.340 26 HG22 VAL 5 HG22 VAL 5 3.185 -5.323 -2.357 27 HG23 VAL 5 HG23 VAL 5 3.820 -3.867 -3.123 28 H TYR 6 H TYR 6 3.769 -4.699 -7.542 29 HA TYR 6 HA TYR 6 4.318 -7.178 -8.621 30 HB2 TYR 6 HB2 TYR 6 3.859 -4.468 -9.771 31 HB3 TYR 6 HB3 TYR 6 4.471 -5.720 -10.846 32 HD1 TYR 6 HD1 TYR 6 3.136 -7.836 -11.132 33 HD2 TYR 6 HD2 TYR 6 1.586 -4.416 -9.131 34 HE1 TYR 6 HE1 TYR 6 0.854 -8.706 -11.425 35 HE2 TYR 6 HE2 TYR 6 -0.700 -5.277 -9.418 36 HH TYR 6 HH TYR 6 -1.320 -8.291 -11.183 37 H THR 7 H THR 7 6.228 -4.230 -9.255 38 HA THR 7 HA THR 7 8.415 -5.707 -10.345 39 HB THR 7 HB THR 7 8.527 -2.852 -9.379 40 HG1 THR 7 HG1 THR 7 6.892 -2.681 -10.770 41 HG21 THR 7 HG21 THR 7 10.082 -4.507 -11.344 42 HG22 THR 7 HG22 THR 7 10.678 -3.536 -9.997 43 HG23 THR 7 HG23 THR 7 10.057 -2.747 -11.447 44 H CYS 8 H CYS 8 7.841 -4.038 -7.267 45 HA CYS 8 HA CYS 8 10.325 -4.300 -6.098 46 HB2 CYS 8 HB2 CYS 8 7.577 -4.443 -4.852 47 HB3 CYS 8 HB3 CYS 8 9.062 -4.365 -3.909 48 H ARG 9 H ARG 9 7.794 -6.705 -6.468 49 HA ARG 9 HA ARG 9 8.626 -8.661 -4.712 50 HB2 ARG 9 HB2 ARG 9 7.156 -8.651 -7.287 51 HB3 ARG 9 HB3 ARG 9 7.802 -10.199 -6.759 52 HG2 ARG 9 HG2 ARG 9 6.465 -10.259 -4.868 53 HG3 ARG 9 HG3 ARG 9 6.189 -8.516 -4.889 54 HD2 ARG 9 HD2 ARG 9 4.618 -8.655 -6.585 55 HD3 ARG 9 HD3 ARG 9 5.222 -10.211 -7.152 56 HE ARG 9 HE ARG 9 3.276 -9.755 -5.088 57 HH11 ARG 9 HH11 ARG 9 5.662 -11.963 -6.333 58 HH12 ARG 9 HH12 ARG 9 4.936 -13.360 -5.610 59 HH21 ARG 9 HH21 ARG 9 2.310 -11.586 -4.131 60 HH22 ARG 9 HH22 ARG 9 3.029 -13.145 -4.359 61 H ALA 10 H ALA 10 9.947 -7.803 -7.848 62 HA ALA 10 HA ALA 10 11.550 -10.015 -8.350 63 HB1 ALA 10 HB1 ALA 10 12.920 -8.521 -9.722 64 HB2 ALA 10 HB2 ALA 10 11.197 -8.242 -9.980 65 HB3 ALA 10 HB3 ALA 10 12.132 -7.125 -8.986 66 H GLY 11 H GLY 11 12.440 -7.010 -6.641 67 HA2 GLY 11 HA2 GLY 11 14.001 -8.343 -4.699 68 HA3 GLY 11 HA3 GLY 11 15.050 -7.738 -5.972 69 H GLN 12 H GLN 12 12.331 -6.596 -3.966 70 HA GLN 12 HA GLN 12 13.881 -4.383 -2.997 71 HB2 GLN 12 HB2 GLN 12 12.142 -4.041 -5.305 72 HB3 GLN 12 HB3 GLN 12 11.686 -2.987 -3.973 73 HG2 GLN 12 HG2 GLN 12 14.276 -2.499 -3.928 74 HG3 GLN 12 HG3 GLN 12 14.162 -3.020 -5.609 75 HE21 GLN 12 HE21 GLN 12 13.665 -0.496 -3.406 76 HE22 GLN 12 HE22 GLN 12 12.924 0.628 -4.488 77 H THR 13 H THR 13 12.629 -3.029 -1.472 78 HA THR 13 HA THR 13 10.337 -4.495 -0.339 79 HB THR 13 HB THR 13 12.113 -2.939 1.481 80 HG1 THR 13 HG1 THR 13 12.736 -5.469 0.342 81 HG21 THR 13 HG21 THR 13 11.478 -5.304 2.685 82 HG22 THR 13 HG22 THR 13 10.084 -5.054 1.635 83 HG23 THR 13 HG23 THR 13 10.531 -3.823 2.816 84 H CYS 14 H CYS 14 8.811 -3.218 0.852 85 HA CYS 14 HA CYS 14 8.396 -0.627 -0.339 86 HB2 CYS 14 HB2 CYS 14 6.623 -2.438 0.268 87 HB3 CYS 14 HB3 CYS 14 6.716 -1.745 1.884 88 H CYS 15 H CYS 15 8.672 1.333 0.568 89 HA CYS 15 HA CYS 15 9.317 1.492 3.425 90 HB2 CYS 15 HB2 CYS 15 10.918 2.947 1.317 91 HB3 CYS 15 HB3 CYS 15 11.246 2.864 3.045 92 H ARG 16 H ARG 16 9.562 3.960 4.001 93 HA ARG 16 HA ARG 16 7.047 5.167 3.292 94 HB2 ARG 16 HB2 ARG 16 9.239 5.785 5.230 95 HB3 ARG 16 HB3 ARG 16 8.087 7.047 4.816 96 HG2 ARG 16 HG2 ARG 16 7.104 6.137 6.671 97 HG3 ARG 16 HG3 ARG 16 6.316 5.217 5.388 98 HD2 ARG 16 HD2 ARG 16 6.946 3.611 6.975 99 HD3 ARG 16 HD3 ARG 16 8.172 3.499 5.712 100 HE ARG 16 HE ARG 16 8.987 5.293 7.749 101 HH11 ARG 16 HH11 ARG 16 8.618 1.903 7.051 102 HH12 ARG 16 HH12 ARG 16 9.862 1.408 8.151 103 HH21 ARG 16 HH21 ARG 16 10.626 4.654 9.200 104 HH22 ARG 16 HH22 ARG 16 11.002 2.974 9.374 105 H GLY 17 H GLY 17 6.926 6.079 1.327 106 HA2 GLY 17 HA2 GLY 17 9.181 7.398 0.113 107 HA3 GLY 17 HA3 GLY 17 7.561 7.268 -0.557 108 H LEU 18 H LEU 18 8.777 9.600 -0.937 109 HA LEU 18 HA LEU 18 8.639 11.552 1.031 110 HB2 LEU 18 HB2 LEU 18 8.537 11.553 -1.936 111 HB3 LEU 18 HB3 LEU 18 8.069 13.033 -1.100 112 HG LEU 18 HG LEU 18 10.397 12.614 0.120 113 HD11 LEU 18 HD11 LEU 18 10.406 10.739 -2.056 114 HD12 LEU 18 HD12 LEU 18 11.605 10.991 -0.788 115 HD13 LEU 18 HD13 LEU 18 11.679 11.940 -2.273 116 HD21 LEU 18 HD21 LEU 18 9.651 14.601 -1.185 117 HD22 LEU 18 HD22 LEU 18 10.223 13.797 -2.647 118 HD23 LEU 18 HD23 LEU 18 11.363 14.221 -1.369 119 H HIS 19 H HIS 19 6.127 10.405 -1.181 120 HA HIS 19 HA HIS 19 4.168 12.272 -0.214 121 HB2 HIS 19 HB2 HIS 19 4.264 11.184 -2.542 122 HB3 HIS 19 HB3 HIS 19 3.569 9.763 -1.769 123 HD1 HIS 19 HD1 HIS 19 1.416 10.036 -3.204 124 HD2 HIS 19 HD2 HIS 19 2.206 13.224 -0.659 125 HE1 HIS 19 HE1 HIS 19 -0.704 11.388 -3.141 126 H GLY 20 H GLY 20 4.956 8.877 0.342 127 HA2 GLY 20 HA2 GLY 20 4.078 8.740 2.944 128 HA3 GLY 20 HA3 GLY 20 2.666 8.353 1.974 129 H TYR 21 H TYR 21 3.691 6.873 -0.061 130 HA TYR 21 HA TYR 21 5.080 4.645 1.267 131 HB2 TYR 21 HB2 TYR 21 2.644 4.482 -0.515 132 HB3 TYR 21 HB3 TYR 21 3.617 3.089 -0.053 133 HD1 TYR 21 HD1 TYR 21 1.216 5.600 1.109 134 HD2 TYR 21 HD2 TYR 21 3.536 2.206 2.204 135 HE1 TYR 21 HE1 TYR 21 -0.117 5.359 3.162 136 HE2 TYR 21 HE2 TYR 21 2.209 1.955 4.260 137 HH TYR 21 HH TYR 21 0.065 2.572 5.153 138 H GLY 22 H GLY 22 6.299 3.266 -0.120 139 HA2 GLY 22 HA2 GLY 22 6.593 3.257 -2.809 140 HA3 GLY 22 HA3 GLY 22 7.481 4.698 -2.334 141 H CYS 23 H CYS 23 8.092 1.797 -3.342 142 HA CYS 23 HA CYS 23 9.649 0.517 -1.397 143 HB2 CYS 23 HB2 CYS 23 9.479 0.420 -4.371 144 HB3 CYS 23 HB3 CYS 23 10.884 -0.313 -3.604 145 H CYS 24 H CYS 24 11.820 0.573 -0.896 146 HA CYS 24 HA CYS 24 13.119 3.049 -0.979 147 HB2 CYS 24 HB2 CYS 24 13.976 0.263 -0.287 148 HB3 CYS 24 HB3 CYS 24 15.186 1.538 -0.399 Start of MODEL 4 1 H1 CYS 1 H CYS 1 2.003 1.238 0.504 2 HA CYS 1 HA CYS 1 2.305 0.887 -1.808 3 HB2 CYS 1 HB2 CYS 1 4.249 -0.751 -1.979 4 HB3 CYS 1 HB3 CYS 1 4.458 0.598 -0.867 5 H ALA 2 H ALA 2 0.168 0.049 -2.334 6 HA ALA 2 HA ALA 2 -0.242 -2.799 -2.401 7 HB1 ALA 2 HB1 ALA 2 -2.146 -1.374 -2.039 8 HB2 ALA 2 HB2 ALA 2 -1.849 -0.526 -3.556 9 HB3 ALA 2 HB3 ALA 2 -2.345 -2.218 -3.575 10 H ASP 3 H ASP 3 0.123 -0.267 -4.884 11 HA ASP 3 HA ASP 3 0.316 -2.167 -7.017 12 HB2 ASP 3 HB2 ASP 3 -0.499 0.263 -7.162 13 HB3 ASP 3 HB3 ASP 3 1.205 0.709 -7.157 14 H ALA 4 H ALA 4 2.601 -0.316 -5.083 15 HA ALA 4 HA ALA 4 4.933 -0.660 -6.513 16 HB1 ALA 4 HB1 ALA 4 4.258 0.266 -3.983 17 HB2 ALA 4 HB2 ALA 4 5.407 -1.039 -3.687 18 HB3 ALA 4 HB3 ALA 4 5.853 0.308 -4.735 19 H VAL 5 H VAL 5 3.188 -2.980 -4.561 20 HA VAL 5 HA VAL 5 5.079 -4.921 -4.093 21 HB VAL 5 HB VAL 5 2.203 -5.374 -4.902 22 HG11 VAL 5 HG11 VAL 5 3.489 -7.418 -5.091 23 HG12 VAL 5 HG12 VAL 5 4.151 -7.180 -3.473 24 HG13 VAL 5 HG13 VAL 5 2.430 -7.503 -3.684 25 HG21 VAL 5 HG21 VAL 5 1.737 -4.354 -2.975 26 HG22 VAL 5 HG22 VAL 5 2.466 -5.741 -2.166 27 HG23 VAL 5 HG23 VAL 5 3.436 -4.307 -2.505 28 H TYR 6 H TYR 6 3.387 -4.193 -7.086 29 HA TYR 6 HA TYR 6 3.925 -6.445 -8.584 30 HB2 TYR 6 HB2 TYR 6 3.531 -3.565 -9.231 31 HB3 TYR 6 HB3 TYR 6 4.157 -4.608 -10.503 32 HD1 TYR 6 HD1 TYR 6 2.803 -6.556 -11.273 33 HD2 TYR 6 HD2 TYR 6 1.247 -3.653 -8.580 34 HE1 TYR 6 HE1 TYR 6 0.520 -7.322 -11.777 35 HE2 TYR 6 HE2 TYR 6 -1.040 -4.412 -9.075 36 HH TYR 6 HH TYR 6 -2.306 -5.680 -10.433 37 H THR 7 H THR 7 5.907 -3.476 -8.571 38 HA THR 7 HA THR 7 8.086 -4.730 -9.915 39 HB THR 7 HB THR 7 9.334 -2.664 -9.429 40 HG1 THR 7 HG1 THR 7 7.000 -1.878 -7.990 41 HG21 THR 7 HG21 THR 7 8.176 -2.273 -11.352 42 HG22 THR 7 HG22 THR 7 7.385 -1.073 -10.329 43 HG23 THR 7 HG23 THR 7 6.616 -2.633 -10.614 44 H CYS 8 H CYS 8 7.305 -4.065 -6.553 45 HA CYS 8 HA CYS 8 9.746 -4.473 -5.334 46 HB2 CYS 8 HB2 CYS 8 7.168 -4.113 -4.464 47 HB3 CYS 8 HB3 CYS 8 7.508 -5.755 -3.930 48 H ARG 9 H ARG 9 7.496 -6.838 -6.624 49 HA ARG 9 HA ARG 9 8.430 -9.173 -5.497 50 HB2 ARG 9 HB2 ARG 9 7.156 -8.490 -8.101 51 HB3 ARG 9 HB3 ARG 9 7.860 -10.092 -7.932 52 HG2 ARG 9 HG2 ARG 9 5.864 -8.955 -5.993 53 HG3 ARG 9 HG3 ARG 9 5.417 -9.919 -7.402 54 HD2 ARG 9 HD2 ARG 9 7.304 -10.841 -5.240 55 HD3 ARG 9 HD3 ARG 9 5.582 -11.216 -5.278 56 HE ARG 9 HE ARG 9 6.460 -12.064 -7.695 57 HH11 ARG 9 HH11 ARG 9 7.493 -12.652 -4.423 58 HH12 ARG 9 HH12 ARG 9 8.080 -14.247 -4.756 59 HH21 ARG 9 HH21 ARG 9 7.230 -14.163 -8.147 60 HH22 ARG 9 HH22 ARG 9 7.931 -15.106 -6.875 61 H ALA 10 H ALA 10 9.823 -7.266 -8.094 62 HA ALA 10 HA ALA 10 11.669 -9.071 -9.118 63 HB1 ALA 10 HB1 ALA 10 11.125 -6.780 -10.003 64 HB2 ALA 10 HB2 ALA 10 12.197 -6.130 -8.762 65 HB3 ALA 10 HB3 ALA 10 12.836 -7.206 -10.005 66 H GLY 11 H GLY 11 12.106 -6.738 -6.456 67 HA2 GLY 11 HA2 GLY 11 13.475 -8.264 -4.687 68 HA3 GLY 11 HA3 GLY 11 14.723 -7.792 -5.832 69 H GLN 12 H GLN 12 12.024 -6.232 -4.094 70 HA GLN 12 HA GLN 12 13.916 -4.203 -3.145 71 HB2 GLN 12 HB2 GLN 12 11.205 -3.566 -4.319 72 HB3 GLN 12 HB3 GLN 12 12.344 -2.407 -3.647 73 HG2 GLN 12 HG2 GLN 12 13.175 -4.153 -5.918 74 HG3 GLN 12 HG3 GLN 12 12.170 -2.736 -6.217 75 HE21 GLN 12 HE21 GLN 12 15.224 -3.820 -4.856 76 HE22 GLN 12 HE22 GLN 12 16.064 -2.327 -5.075 77 H THR 13 H THR 13 12.695 -2.716 -1.503 78 HA THR 13 HA THR 13 10.929 -4.381 0.165 79 HB THR 13 HB THR 13 12.043 -3.566 2.181 80 HG1 THR 13 HG1 THR 13 13.432 -2.026 0.306 81 HG21 THR 13 HG21 THR 13 14.306 -4.564 0.515 82 HG22 THR 13 HG22 THR 13 12.882 -5.586 0.712 83 HG23 THR 13 HG23 THR 13 13.791 -5.057 2.127 84 H CYS 14 H CYS 14 9.133 -3.398 0.852 85 HA CYS 14 HA CYS 14 8.308 -0.922 -0.093 86 HB2 CYS 14 HB2 CYS 14 6.855 -2.773 0.834 87 HB3 CYS 14 HB3 CYS 14 7.297 -2.213 2.444 88 H CYS 15 H CYS 15 8.999 1.047 0.374 89 HA CYS 15 HA CYS 15 9.921 1.604 3.118 90 HB2 CYS 15 HB2 CYS 15 10.999 2.705 0.514 91 HB3 CYS 15 HB3 CYS 15 11.469 3.283 2.110 92 H ARG 16 H ARG 16 9.881 4.021 3.597 93 HA ARG 16 HA ARG 16 7.292 5.071 2.696 94 HB2 ARG 16 HB2 ARG 16 8.939 5.869 5.103 95 HB3 ARG 16 HB3 ARG 16 7.317 6.431 4.720 96 HG2 ARG 16 HG2 ARG 16 6.529 4.076 4.915 97 HG3 ARG 16 HG3 ARG 16 8.144 3.639 5.476 98 HD2 ARG 16 HD2 ARG 16 7.098 3.978 7.482 99 HD3 ARG 16 HD3 ARG 16 7.721 5.599 7.179 100 HE ARG 16 HE ARG 16 5.569 6.342 7.037 101 HH11 ARG 16 HH11 ARG 16 5.592 2.892 6.566 102 HH12 ARG 16 HH12 ARG 16 3.865 2.754 6.538 103 HH21 ARG 16 HH21 ARG 16 3.295 6.172 7.002 104 HH22 ARG 16 HH22 ARG 16 2.560 4.620 6.785 105 H GLY 17 H GLY 17 8.427 5.739 0.679 106 HA2 GLY 17 HA2 GLY 17 10.469 7.649 0.608 107 HA3 GLY 17 HA3 GLY 17 9.278 7.397 -0.659 108 H LEU 18 H LEU 18 9.777 9.823 -0.742 109 HA LEU 18 HA LEU 18 8.854 11.596 1.206 110 HB2 LEU 18 HB2 LEU 18 9.257 11.784 -1.749 111 HB3 LEU 18 HB3 LEU 18 8.497 13.116 -0.881 112 HG LEU 18 HG LEU 18 11.159 12.055 -0.008 113 HD11 LEU 18 HD11 LEU 18 12.331 13.394 -1.509 114 HD12 LEU 18 HD12 LEU 18 10.894 14.305 -1.970 115 HD13 LEU 18 HD13 LEU 18 11.091 12.637 -2.508 116 HD21 LEU 18 HD21 LEU 18 9.400 14.097 0.840 117 HD22 LEU 18 HD22 LEU 18 10.818 14.882 0.144 118 HD23 LEU 18 HD23 LEU 18 11.009 13.716 1.454 119 H HIS 19 H HIS 19 7.177 10.443 -1.722 120 HA HIS 19 HA HIS 19 4.758 11.723 -1.363 121 HB2 HIS 19 HB2 HIS 19 5.547 10.257 -3.320 122 HB3 HIS 19 HB3 HIS 19 4.934 8.895 -2.387 123 HD1 HIS 19 HD1 HIS 19 3.787 11.955 -4.234 124 HD2 HIS 19 HD2 HIS 19 2.172 8.618 -2.360 125 HE1 HIS 19 HE1 HIS 19 1.356 11.934 -4.876 126 H GLY 20 H GLY 20 5.749 8.543 -0.111 127 HA2 GLY 20 HA2 GLY 20 4.738 8.562 2.360 128 HA3 GLY 20 HA3 GLY 20 3.279 8.318 1.410 129 H TYR 21 H TYR 21 4.018 6.604 -0.528 130 HA TYR 21 HA TYR 21 5.172 4.292 0.880 131 HB2 TYR 21 HB2 TYR 21 2.593 4.432 -0.670 132 HB3 TYR 21 HB3 TYR 21 3.439 2.909 -0.417 133 HD1 TYR 21 HD1 TYR 21 1.194 5.322 0.995 134 HD2 TYR 21 HD2 TYR 21 3.859 2.152 1.971 135 HE1 TYR 21 HE1 TYR 21 0.105 5.090 3.188 136 HE2 TYR 21 HE2 TYR 21 2.777 1.910 4.167 137 HH TYR 21 HH TYR 21 0.392 4.196 5.301 138 H GLY 22 H GLY 22 6.527 3.028 -0.292 139 HA2 GLY 22 HA2 GLY 22 6.562 2.700 -3.057 140 HA3 GLY 22 HA3 GLY 22 7.618 4.057 -2.693 141 H CYS 23 H CYS 23 7.843 1.031 -3.523 142 HA CYS 23 HA CYS 23 9.494 -0.107 -1.486 143 HB2 CYS 23 HB2 CYS 23 8.783 -0.847 -4.303 144 HB3 CYS 23 HB3 CYS 23 10.109 -1.675 -3.494 145 H CYS 24 H CYS 24 11.576 0.246 -1.105 146 HA CYS 24 HA CYS 24 13.098 2.183 -2.369 147 HB2 CYS 24 HB2 CYS 24 13.801 -0.150 -0.616 148 HB3 CYS 24 HB3 CYS 24 15.074 0.846 -1.314 Start of MODEL 5 1 H1 CYS 1 H CYS 1 2.867 1.228 -0.857 2 HA CYS 1 HA CYS 1 3.020 1.224 -3.688 3 HB2 CYS 1 HB2 CYS 1 5.074 -0.134 -3.343 4 HB3 CYS 1 HB3 CYS 1 5.041 1.326 -2.359 5 H ALA 2 H ALA 2 0.645 -0.038 -2.970 6 HA ALA 2 HA ALA 2 0.701 -2.820 -2.839 7 HB1 ALA 2 HB1 ALA 2 -1.488 -1.782 -4.458 8 HB2 ALA 2 HB2 ALA 2 -1.524 -2.645 -2.920 9 HB3 ALA 2 HB3 ALA 2 -1.259 -0.901 -2.947 10 H ASP 3 H ASP 3 0.392 -0.748 -5.724 11 HA ASP 3 HA ASP 3 0.513 -2.907 -7.564 12 HB2 ASP 3 HB2 ASP 3 0.781 0.076 -7.813 13 HB3 ASP 3 HB3 ASP 3 1.091 -0.971 -9.195 14 H ALA 4 H ALA 4 2.918 -0.766 -6.154 15 HA ALA 4 HA ALA 4 5.079 -1.358 -7.829 16 HB1 ALA 4 HB1 ALA 4 6.027 -0.989 -5.170 17 HB2 ALA 4 HB2 ALA 4 6.045 0.148 -6.519 18 HB3 ALA 4 HB3 ALA 4 4.655 0.087 -5.435 19 H VAL 5 H VAL 5 3.690 -3.122 -5.147 20 HA VAL 5 HA VAL 5 5.715 -4.845 -4.444 21 HB VAL 5 HB VAL 5 2.788 -5.534 -4.736 22 HG11 VAL 5 HG11 VAL 5 5.112 -6.985 -3.581 23 HG12 VAL 5 HG12 VAL 5 3.555 -7.108 -2.759 24 HG13 VAL 5 HG13 VAL 5 3.706 -7.607 -4.445 25 HG21 VAL 5 HG21 VAL 5 2.522 -4.042 -3.099 26 HG22 VAL 5 HG22 VAL 5 3.370 -5.185 -2.057 27 HG23 VAL 5 HG23 VAL 5 4.261 -3.886 -2.851 28 H TYR 6 H TYR 6 3.655 -4.935 -7.287 29 HA TYR 6 HA TYR 6 4.107 -7.490 -8.219 30 HB2 TYR 6 HB2 TYR 6 3.533 -4.876 -9.529 31 HB3 TYR 6 HB3 TYR 6 4.037 -6.214 -10.555 32 HD1 TYR 6 HD1 TYR 6 2.679 -8.331 -10.548 33 HD2 TYR 6 HD2 TYR 6 1.336 -4.762 -8.661 34 HE1 TYR 6 HE1 TYR 6 0.380 -9.204 -10.545 35 HE2 TYR 6 HE2 TYR 6 -0.966 -5.625 -8.652 36 HH TYR 6 HH TYR 6 -2.288 -7.358 -10.087 37 H THR 7 H THR 7 5.936 -4.609 -9.266 38 HA THR 7 HA THR 7 8.010 -6.173 -10.448 39 HB THR 7 HB THR 7 9.223 -3.953 -10.589 40 HG1 THR 7 HG1 THR 7 6.748 -2.857 -9.731 41 HG21 THR 7 HG21 THR 7 6.550 -4.527 -11.778 42 HG22 THR 7 HG22 THR 7 8.132 -4.433 -12.553 43 HG23 THR 7 HG23 THR 7 7.291 -2.956 -12.082 44 H CYS 8 H CYS 8 7.723 -4.303 -7.449 45 HA CYS 8 HA CYS 8 10.311 -4.479 -6.511 46 HB2 CYS 8 HB2 CYS 8 7.688 -4.522 -5.018 47 HB3 CYS 8 HB3 CYS 8 9.247 -4.423 -4.206 48 H ARG 9 H ARG 9 7.774 -6.907 -6.470 49 HA ARG 9 HA ARG 9 8.788 -8.739 -4.677 50 HB2 ARG 9 HB2 ARG 9 7.030 -8.862 -7.042 51 HB3 ARG 9 HB3 ARG 9 7.794 -10.384 -6.604 52 HG2 ARG 9 HG2 ARG 9 6.868 -10.231 -4.366 53 HG3 ARG 9 HG3 ARG 9 6.147 -8.669 -4.756 54 HD2 ARG 9 HD2 ARG 9 5.514 -10.993 -6.501 55 HD3 ARG 9 HD3 ARG 9 4.765 -10.919 -4.907 56 HE ARG 9 HE ARG 9 4.524 -8.490 -6.434 57 HH11 ARG 9 HH11 ARG 9 3.126 -11.601 -5.736 58 HH12 ARG 9 HH12 ARG 9 1.529 -11.138 -6.221 59 HH21 ARG 9 HH21 ARG 9 2.425 -7.868 -7.076 60 HH22 ARG 9 HH22 ARG 9 1.131 -9.015 -6.984 61 H ALA 10 H ALA 10 9.826 -8.052 -7.951 62 HA ALA 10 HA ALA 10 11.368 -10.295 -8.496 63 HB1 ALA 10 HB1 ALA 10 12.394 -7.631 -9.327 64 HB2 ALA 10 HB2 ALA 10 12.229 -9.121 -10.257 65 HB3 ALA 10 HB3 ALA 10 10.807 -8.138 -9.904 66 H GLY 11 H GLY 11 12.101 -7.475 -6.524 67 HA2 GLY 11 HA2 GLY 11 13.849 -8.602 -4.785 68 HA3 GLY 11 HA3 GLY 11 14.869 -8.213 -6.163 69 H GLN 12 H GLN 12 12.432 -6.714 -4.043 70 HA GLN 12 HA GLN 12 14.186 -4.425 -3.688 71 HB2 GLN 12 HB2 GLN 12 11.418 -4.200 -4.874 72 HB3 GLN 12 HB3 GLN 12 12.303 -2.837 -4.200 73 HG2 GLN 12 HG2 GLN 12 13.321 -4.541 -6.458 74 HG3 GLN 12 HG3 GLN 12 12.415 -3.045 -6.680 75 HE21 GLN 12 HE21 GLN 12 13.583 -1.293 -6.952 76 HE22 GLN 12 HE22 GLN 12 15.207 -1.054 -6.416 77 H THR 13 H THR 13 13.007 -2.782 -2.168 78 HA THR 13 HA THR 13 11.457 -4.272 -0.157 79 HB THR 13 HB THR 13 12.685 -3.030 1.622 80 HG1 THR 13 HG1 THR 13 13.526 -1.514 -0.207 81 HG21 THR 13 HG21 THR 13 14.841 -4.447 0.181 82 HG22 THR 13 HG22 THR 13 13.353 -5.357 0.442 83 HG23 THR 13 HG23 THR 13 14.226 -4.681 1.817 84 H CYS 14 H CYS 14 9.595 -3.314 0.301 85 HA CYS 14 HA CYS 14 9.024 -0.665 -0.659 86 HB2 CYS 14 HB2 CYS 14 7.512 -2.953 0.332 87 HB3 CYS 14 HB3 CYS 14 6.892 -1.424 0.947 88 H CYS 15 H CYS 15 9.820 1.024 0.416 89 HA CYS 15 HA CYS 15 9.822 0.963 3.354 90 HB2 CYS 15 HB2 CYS 15 11.253 2.940 1.576 91 HB3 CYS 15 HB3 CYS 15 11.511 2.659 3.295 92 H ARG 16 H ARG 16 9.620 3.335 4.259 93 HA ARG 16 HA ARG 16 7.018 4.280 3.361 94 HB2 ARG 16 HB2 ARG 16 7.813 3.850 5.826 95 HB3 ARG 16 HB3 ARG 16 8.499 5.462 5.678 96 HG2 ARG 16 HG2 ARG 16 5.614 4.871 5.089 97 HG3 ARG 16 HG3 ARG 16 6.196 5.303 6.698 98 HD2 ARG 16 HD2 ARG 16 7.254 7.340 5.538 99 HD3 ARG 16 HD3 ARG 16 6.181 6.953 4.193 100 HE ARG 16 HE ARG 16 4.452 7.829 5.394 101 HH11 ARG 16 HH11 ARG 16 7.045 7.048 7.583 102 HH12 ARG 16 HH12 ARG 16 6.266 7.750 8.962 103 HH21 ARG 16 HH21 ARG 16 3.416 8.755 7.203 104 HH22 ARG 16 HH22 ARG 16 4.202 8.720 8.745 105 H GLY 17 H GLY 17 7.438 5.425 1.485 106 HA2 GLY 17 HA2 GLY 17 9.515 7.375 1.290 107 HA3 GLY 17 HA3 GLY 17 8.193 7.148 0.156 108 H LEU 18 H LEU 18 8.835 9.656 0.467 109 HA LEU 18 HA LEU 18 7.911 11.131 2.608 110 HB2 LEU 18 HB2 LEU 18 8.162 11.686 -0.313 111 HB3 LEU 18 HB3 LEU 18 7.371 12.871 0.726 112 HG LEU 18 HG LEU 18 10.116 11.861 1.380 113 HD11 LEU 18 HD11 LEU 18 10.865 12.685 -0.555 114 HD12 LEU 18 HD12 LEU 18 10.531 14.269 0.144 115 HD13 LEU 18 HD13 LEU 18 9.340 13.500 -0.904 116 HD21 LEU 18 HD21 LEU 18 8.875 13.156 3.055 117 HD22 LEU 18 HD22 LEU 18 8.700 14.475 1.896 118 HD23 LEU 18 HD23 LEU 18 10.301 14.019 2.480 119 H HIS 19 H HIS 19 6.087 10.532 -0.403 120 HA HIS 19 HA HIS 19 3.655 11.566 0.436 121 HB2 HIS 19 HB2 HIS 19 4.179 9.283 -1.478 122 HB3 HIS 19 HB3 HIS 19 2.638 10.119 -1.315 123 HD1 HIS 19 HD1 HIS 19 5.791 10.242 -3.112 124 HD2 HIS 19 HD2 HIS 19 2.827 12.955 -2.053 125 HE1 HIS 19 HE1 HIS 19 6.139 12.235 -4.606 126 H GLY 20 H GLY 20 5.032 8.362 0.940 127 HA2 GLY 20 HA2 GLY 20 3.864 7.748 3.306 128 HA3 GLY 20 HA3 GLY 20 2.620 7.322 2.139 129 H TYR 21 H TYR 21 3.983 6.217 0.092 130 HA TYR 21 HA TYR 21 5.560 4.047 1.299 131 HB2 TYR 21 HB2 TYR 21 3.340 3.744 -0.733 132 HB3 TYR 21 HB3 TYR 21 4.414 2.448 -0.217 133 HD1 TYR 21 HD1 TYR 21 1.441 4.340 0.545 134 HD2 TYR 21 HD2 TYR 21 4.339 1.687 2.177 135 HE1 TYR 21 HE1 TYR 21 -0.085 3.826 2.403 136 HE2 TYR 21 HE2 TYR 21 2.820 1.164 4.040 137 HH TYR 21 HH TYR 21 0.221 1.236 4.371 138 H GLY 22 H GLY 22 6.941 2.896 -0.215 139 HA2 GLY 22 HA2 GLY 22 7.372 3.506 -2.871 140 HA3 GLY 22 HA3 GLY 22 8.300 4.692 -1.966 141 H CYS 23 H CYS 23 8.761 2.059 -3.649 142 HA CYS 23 HA CYS 23 10.228 0.373 -1.872 143 HB2 CYS 23 HB2 CYS 23 9.666 0.479 -4.772 144 HB3 CYS 23 HB3 CYS 23 11.182 -0.296 -4.323 145 H CYS 24 H CYS 24 12.231 0.611 -1.142 146 HA CYS 24 HA CYS 24 13.795 2.882 -1.727 147 HB2 CYS 24 HB2 CYS 24 14.332 0.318 -0.250 148 HB3 CYS 24 HB3 CYS 24 15.609 1.505 -0.495 Start of MODEL 6 1 H1 CYS 1 H CYS 1 3.023 0.049 1.397 2 HA CYS 1 HA CYS 1 2.758 0.599 -1.236 3 HB2 CYS 1 HB2 CYS 1 4.576 -1.145 -1.628 4 HB3 CYS 1 HB3 CYS 1 4.927 0.101 -0.435 5 H ALA 2 H ALA 2 0.574 -0.043 -1.770 6 HA ALA 2 HA ALA 2 -0.069 -2.838 -1.994 7 HB1 ALA 2 HB1 ALA 2 -2.171 -2.114 -2.893 8 HB2 ALA 2 HB2 ALA 2 -1.763 -1.080 -1.523 9 HB3 ALA 2 HB3 ALA 2 -1.545 -0.489 -3.170 10 H ASP 3 H ASP 3 0.515 -0.205 -4.322 11 HA ASP 3 HA ASP 3 0.598 -2.075 -6.530 12 HB2 ASP 3 HB2 ASP 3 1.075 -0.040 -7.891 13 HB3 ASP 3 HB3 ASP 3 -0.405 0.081 -6.945 14 H ALA 4 H ALA 4 2.844 -0.235 -4.567 15 HA ALA 4 HA ALA 4 5.156 -0.359 -6.055 16 HB1 ALA 4 HB1 ALA 4 4.473 0.096 -3.315 17 HB2 ALA 4 HB2 ALA 4 5.925 -0.901 -3.403 18 HB3 ALA 4 HB3 ALA 4 5.877 0.660 -4.222 19 H VAL 5 H VAL 5 3.560 -2.914 -4.276 20 HA VAL 5 HA VAL 5 5.545 -4.799 -4.013 21 HB VAL 5 HB VAL 5 3.196 -5.054 -3.212 22 HG11 VAL 5 HG11 VAL 5 2.458 -6.208 -5.859 23 HG12 VAL 5 HG12 VAL 5 1.427 -5.549 -4.588 24 HG13 VAL 5 HG13 VAL 5 2.351 -4.463 -5.626 25 HG21 VAL 5 HG21 VAL 5 3.983 -7.449 -4.841 26 HG22 VAL 5 HG22 VAL 5 4.924 -6.930 -3.444 27 HG23 VAL 5 HG23 VAL 5 3.235 -7.396 -3.245 28 H TYR 6 H TYR 6 3.837 -3.820 -6.905 29 HA TYR 6 HA TYR 6 4.366 -5.915 -8.619 30 HB2 TYR 6 HB2 TYR 6 3.966 -2.988 -8.971 31 HB3 TYR 6 HB3 TYR 6 4.612 -3.886 -10.341 32 HD1 TYR 6 HD1 TYR 6 3.200 -5.190 -11.701 33 HD2 TYR 6 HD2 TYR 6 1.757 -3.723 -7.977 34 HE1 TYR 6 HE1 TYR 6 0.927 -5.911 -12.304 35 HE2 TYR 6 HE2 TYR 6 -0.520 -4.441 -8.570 36 HH TYR 6 HH TYR 6 -1.207 -6.568 -10.978 37 H THR 7 H THR 7 6.345 -2.955 -8.379 38 HA THR 7 HA THR 7 8.525 -4.102 -9.810 39 HB THR 7 HB THR 7 8.781 -1.706 -8.009 40 HG1 THR 7 HG1 THR 7 7.020 -1.111 -9.143 41 HG21 THR 7 HG21 THR 7 10.778 -2.621 -9.191 42 HG22 THR 7 HG22 THR 7 10.379 -0.966 -9.651 43 HG23 THR 7 HG23 THR 7 9.963 -2.303 -10.721 44 H CYS 8 H CYS 8 7.789 -3.626 -6.395 45 HA CYS 8 HA CYS 8 10.265 -4.211 -5.282 46 HB2 CYS 8 HB2 CYS 8 7.454 -4.319 -4.366 47 HB3 CYS 8 HB3 CYS 8 8.595 -5.293 -3.446 48 H ARG 9 H ARG 9 7.773 -6.364 -6.508 49 HA ARG 9 HA ARG 9 8.595 -8.789 -5.483 50 HB2 ARG 9 HB2 ARG 9 7.178 -7.935 -7.947 51 HB3 ARG 9 HB3 ARG 9 7.818 -9.572 -7.930 52 HG2 ARG 9 HG2 ARG 9 6.610 -9.633 -5.579 53 HG3 ARG 9 HG3 ARG 9 5.634 -8.369 -6.328 54 HD2 ARG 9 HD2 ARG 9 4.772 -9.784 -7.914 55 HD3 ARG 9 HD3 ARG 9 6.171 -10.856 -7.871 56 HE ARG 9 HE ARG 9 5.154 -12.061 -6.212 57 HH11 ARG 9 HH11 ARG 9 3.542 -8.993 -6.550 58 HH12 ARG 9 HH12 ARG 9 2.247 -9.408 -5.476 59 HH21 ARG 9 HH21 ARG 9 3.454 -12.619 -4.797 60 HH22 ARG 9 HH22 ARG 9 2.198 -11.471 -4.479 61 H ALA 10 H ALA 10 9.941 -6.946 -8.155 62 HA ALA 10 HA ALA 10 11.587 -8.863 -9.309 63 HB1 ALA 10 HB1 ALA 10 11.099 -6.319 -9.879 64 HB2 ALA 10 HB2 ALA 10 12.645 -6.103 -9.057 65 HB3 ALA 10 HB3 ALA 10 12.536 -7.153 -10.470 66 H GLY 11 H GLY 11 12.070 -6.908 -6.420 67 HA2 GLY 11 HA2 GLY 11 13.543 -8.434 -4.863 68 HA3 GLY 11 HA3 GLY 11 14.757 -8.010 -6.061 69 H GLN 12 H GLN 12 12.333 -6.451 -3.966 70 HA GLN 12 HA GLN 12 14.373 -4.537 -3.129 71 HB2 GLN 12 HB2 GLN 12 11.646 -3.580 -3.980 72 HB3 GLN 12 HB3 GLN 12 13.061 -2.611 -3.590 73 HG2 GLN 12 HG2 GLN 12 14.116 -3.888 -5.614 74 HG3 GLN 12 HG3 GLN 12 12.430 -4.138 -6.064 75 HE21 GLN 12 HE21 GLN 12 12.497 -2.849 -7.863 76 HE22 GLN 12 HE22 GLN 12 12.668 -1.132 -7.791 77 H THR 13 H THR 13 13.341 -3.033 -1.377 78 HA THR 13 HA THR 13 11.743 -4.749 0.410 79 HB THR 13 HB THR 13 12.819 -3.282 2.249 80 HG1 THR 13 HG1 THR 13 13.824 -2.004 0.321 81 HG21 THR 13 HG21 THR 13 14.033 -5.108 2.678 82 HG22 THR 13 HG22 THR 13 15.035 -4.858 1.248 83 HG23 THR 13 HG23 THR 13 13.507 -5.727 1.113 84 H CYS 14 H CYS 14 9.837 -3.996 1.074 85 HA CYS 14 HA CYS 14 8.816 -1.529 0.111 86 HB2 CYS 14 HB2 CYS 14 7.807 -3.851 1.545 87 HB3 CYS 14 HB3 CYS 14 7.108 -2.352 2.148 88 H CYS 15 H CYS 15 9.469 0.374 0.867 89 HA CYS 15 HA CYS 15 9.621 0.729 3.786 90 HB2 CYS 15 HB2 CYS 15 11.516 2.211 3.528 91 HB3 CYS 15 HB3 CYS 15 11.888 0.670 2.761 92 H ARG 16 H ARG 16 9.709 3.231 4.249 93 HA ARG 16 HA ARG 16 7.230 4.284 3.326 94 HB2 ARG 16 HB2 ARG 16 9.368 5.162 5.200 95 HB3 ARG 16 HB3 ARG 16 8.285 6.397 4.571 96 HG2 ARG 16 HG2 ARG 16 7.367 3.888 5.956 97 HG3 ARG 16 HG3 ARG 16 7.588 5.447 6.753 98 HD2 ARG 16 HD2 ARG 16 5.697 4.848 4.481 99 HD3 ARG 16 HD3 ARG 16 5.253 5.106 6.167 100 HE ARG 16 HE ARG 16 6.686 7.333 5.183 101 HH11 ARG 16 HH11 ARG 16 3.581 5.773 4.976 102 HH12 ARG 16 HH12 ARG 16 2.725 7.236 4.615 103 HH21 ARG 16 HH21 ARG 16 5.570 9.265 4.708 104 HH22 ARG 16 HH22 ARG 16 3.857 9.221 4.462 105 H GLY 17 H GLY 17 6.903 5.251 1.440 106 HA2 GLY 17 HA2 GLY 17 9.117 6.264 -0.116 107 HA3 GLY 17 HA3 GLY 17 7.431 6.214 -0.607 108 H LEU 18 H LEU 18 8.442 8.400 -1.409 109 HA LEU 18 HA LEU 18 8.764 10.516 0.425 110 HB2 LEU 18 HB2 LEU 18 7.853 10.710 -2.440 111 HB3 LEU 18 HB3 LEU 18 8.603 11.982 -1.478 112 HG LEU 18 HG LEU 18 10.131 9.468 -1.946 113 HD11 LEU 18 HD11 LEU 18 9.776 11.653 -3.992 114 HD12 LEU 18 HD12 LEU 18 9.284 9.968 -4.155 115 HD13 LEU 18 HD13 LEU 18 10.996 10.380 -4.060 116 HD21 LEU 18 HD21 LEU 18 11.921 10.726 -1.386 117 HD22 LEU 18 HD22 LEU 18 10.695 11.722 -0.601 118 HD23 LEU 18 HD23 LEU 18 11.302 12.165 -2.197 119 H HIS 19 H HIS 19 5.970 9.502 -1.525 120 HA HIS 19 HA HIS 19 4.263 11.475 -0.273 121 HB2 HIS 19 HB2 HIS 19 4.062 10.764 -2.690 122 HB3 HIS 19 HB3 HIS 19 3.440 9.223 -2.110 123 HD1 HIS 19 HD1 HIS 19 1.030 9.163 -1.268 124 HD2 HIS 19 HD2 HIS 19 2.315 12.964 -2.346 125 HE1 HIS 19 HE1 HIS 19 -1.042 10.586 -1.308 126 H GLY 20 H GLY 20 4.756 7.981 -0.164 127 HA2 GLY 20 HA2 GLY 20 3.748 7.796 2.487 128 HA3 GLY 20 HA3 GLY 20 2.555 7.214 1.336 129 H TYR 21 H TYR 21 3.996 5.888 -0.511 130 HA TYR 21 HA TYR 21 5.560 3.908 1.003 131 HB2 TYR 21 HB2 TYR 21 3.439 3.301 -1.068 132 HB3 TYR 21 HB3 TYR 21 4.482 2.109 -0.300 133 HD1 TYR 21 HD1 TYR 21 1.284 3.319 -0.272 134 HD2 TYR 21 HD2 TYR 21 4.448 2.454 2.437 135 HE1 TYR 21 HE1 TYR 21 -0.351 3.071 1.549 136 HE2 TYR 21 HE2 TYR 21 2.822 2.203 4.266 137 HH TYR 21 HH TYR 21 -0.655 2.681 3.710 138 H GLY 22 H GLY 22 7.124 2.742 -0.205 139 HA2 GLY 22 HA2 GLY 22 7.575 3.218 -2.979 140 HA3 GLY 22 HA3 GLY 22 8.635 4.212 -1.991 141 H CYS 23 H CYS 23 9.161 1.923 -3.841 142 HA CYS 23 HA CYS 23 10.081 -0.216 -2.141 143 HB2 CYS 23 HB2 CYS 23 10.290 0.343 -5.093 144 HB3 CYS 23 HB3 CYS 23 11.132 -1.010 -4.346 145 H CYS 24 H CYS 24 11.990 -0.348 -1.169 146 HA CYS 24 HA CYS 24 14.015 1.671 -1.767 147 HB2 CYS 24 HB2 CYS 24 13.367 -0.046 0.575 148 HB3 CYS 24 HB3 CYS 24 15.053 0.408 0.350 Start of MODEL 7 1 H1 CYS 1 H CYS 1 2.117 0.378 -0.647 2 HA CYS 1 HA CYS 1 2.819 0.928 -3.456 3 HB2 CYS 1 HB2 CYS 1 4.587 -0.831 -3.137 4 HB3 CYS 1 HB3 CYS 1 4.829 0.631 -2.187 5 H ALA 2 H ALA 2 0.380 0.201 -3.455 6 HA ALA 2 HA ALA 2 -0.194 -2.562 -3.183 7 HB1 ALA 2 HB1 ALA 2 -1.984 -1.415 -5.047 8 HB2 ALA 2 HB2 ALA 2 -2.255 -1.759 -3.338 9 HB3 ALA 2 HB3 ALA 2 -1.625 -0.188 -3.832 10 H ASP 3 H ASP 3 0.334 -0.534 -6.067 11 HA ASP 3 HA ASP 3 0.461 -2.871 -7.770 12 HB2 ASP 3 HB2 ASP 3 0.862 -1.214 -9.583 13 HB3 ASP 3 HB3 ASP 3 -0.604 -0.889 -8.661 14 H ALA 4 H ALA 4 2.662 -0.557 -6.323 15 HA ALA 4 HA ALA 4 4.971 -0.972 -7.763 16 HB1 ALA 4 HB1 ALA 4 5.876 0.314 -6.190 17 HB2 ALA 4 HB2 ALA 4 4.305 0.296 -5.387 18 HB3 ALA 4 HB3 ALA 4 5.543 -0.873 -4.929 19 H VAL 5 H VAL 5 3.455 -3.069 -5.408 20 HA VAL 5 HA VAL 5 5.491 -4.783 -4.721 21 HB VAL 5 HB VAL 5 3.150 -4.903 -3.866 22 HG11 VAL 5 HG11 VAL 5 1.391 -5.691 -5.079 23 HG12 VAL 5 HG12 VAL 5 2.330 -4.971 -6.389 24 HG13 VAL 5 HG13 VAL 5 2.406 -6.709 -6.100 25 HG21 VAL 5 HG21 VAL 5 5.032 -6.893 -4.107 26 HG22 VAL 5 HG22 VAL 5 3.600 -6.947 -3.078 27 HG23 VAL 5 HG23 VAL 5 3.558 -7.669 -4.687 28 H TYR 6 H TYR 6 3.756 -4.567 -7.751 29 HA TYR 6 HA TYR 6 4.341 -6.996 -8.920 30 HB2 TYR 6 HB2 TYR 6 3.854 -4.250 -9.953 31 HB3 TYR 6 HB3 TYR 6 4.534 -5.423 -11.076 32 HD1 TYR 6 HD1 TYR 6 3.178 -7.084 -12.062 33 HD2 TYR 6 HD2 TYR 6 1.658 -4.772 -8.830 34 HE1 TYR 6 HE1 TYR 6 0.932 -7.999 -12.472 35 HE2 TYR 6 HE2 TYR 6 -0.592 -5.682 -9.229 36 HH TYR 6 HH TYR 6 -1.784 -6.724 -11.476 37 H THR 7 H THR 7 6.246 -4.010 -9.365 38 HA THR 7 HA THR 7 8.454 -5.403 -10.513 39 HB THR 7 HB THR 7 9.618 -3.286 -10.491 40 HG1 THR 7 HG1 THR 7 7.536 -2.482 -8.724 41 HG21 THR 7 HG21 THR 7 7.980 -1.862 -11.663 42 HG22 THR 7 HG22 THR 7 6.683 -2.916 -11.101 43 HG23 THR 7 HG23 THR 7 7.910 -3.539 -12.203 44 H CYS 8 H CYS 8 7.822 -3.977 -7.327 45 HA CYS 8 HA CYS 8 10.290 -4.321 -6.142 46 HB2 CYS 8 HB2 CYS 8 7.547 -4.627 -4.905 47 HB3 CYS 8 HB3 CYS 8 9.042 -4.481 -3.987 48 H ARG 9 H ARG 9 7.758 -6.691 -6.710 49 HA ARG 9 HA ARG 9 8.587 -8.772 -5.099 50 HB2 ARG 9 HB2 ARG 9 7.141 -8.593 -7.692 51 HB3 ARG 9 HB3 ARG 9 7.744 -10.174 -7.213 52 HG2 ARG 9 HG2 ARG 9 6.195 -8.584 -5.235 53 HG3 ARG 9 HG3 ARG 9 5.334 -9.376 -6.556 54 HD2 ARG 9 HD2 ARG 9 6.513 -11.501 -5.903 55 HD3 ARG 9 HD3 ARG 9 7.083 -10.654 -4.465 56 HE ARG 9 HE ARG 9 4.296 -10.387 -4.631 57 HH11 ARG 9 HH11 ARG 9 6.718 -12.818 -4.046 58 HH12 ARG 9 HH12 ARG 9 5.690 -13.787 -3.043 59 HH21 ARG 9 HH21 ARG 9 2.933 -11.654 -3.312 60 HH22 ARG 9 HH22 ARG 9 3.537 -13.124 -2.627 61 H ALA 10 H ALA 10 9.888 -7.709 -8.185 62 HA ALA 10 HA ALA 10 11.495 -9.881 -8.828 63 HB1 ALA 10 HB1 ALA 10 12.808 -8.344 -10.164 64 HB2 ALA 10 HB2 ALA 10 11.092 -7.965 -10.317 65 HB3 ALA 10 HB3 ALA 10 12.127 -6.969 -9.293 66 H GLY 11 H GLY 11 12.386 -6.976 -6.955 67 HA2 GLY 11 HA2 GLY 11 13.947 -8.388 -5.084 68 HA3 GLY 11 HA3 GLY 11 15.004 -7.767 -6.344 69 H GLN 12 H GLN 12 12.294 -6.608 -4.332 70 HA GLN 12 HA GLN 12 13.895 -4.475 -3.271 71 HB2 GLN 12 HB2 GLN 12 12.252 -4.011 -5.612 72 HB3 GLN 12 HB3 GLN 12 11.730 -3.011 -4.262 73 HG2 GLN 12 HG2 GLN 12 13.321 -1.592 -4.865 74 HG3 GLN 12 HG3 GLN 12 14.471 -2.760 -4.216 75 HE21 GLN 12 HE21 GLN 12 12.497 -2.576 -7.161 76 HE22 GLN 12 HE22 GLN 12 13.805 -2.839 -8.259 77 H THR 13 H THR 13 12.839 -3.318 -1.575 78 HA THR 13 HA THR 13 10.435 -4.693 -0.565 79 HB THR 13 HB THR 13 12.225 -3.215 1.305 80 HG1 THR 13 HG1 THR 13 12.796 -5.766 0.170 81 HG21 THR 13 HG21 THR 13 10.755 -4.148 2.702 82 HG22 THR 13 HG22 THR 13 11.490 -5.706 2.323 83 HG23 THR 13 HG23 THR 13 10.081 -5.152 1.419 84 H CYS 14 H CYS 14 8.923 -3.427 0.658 85 HA CYS 14 HA CYS 14 8.536 -0.807 -0.472 86 HB2 CYS 14 HB2 CYS 14 6.733 -2.577 0.086 87 HB3 CYS 14 HB3 CYS 14 6.874 -1.989 1.739 88 H CYS 15 H CYS 15 8.844 1.134 0.468 89 HA CYS 15 HA CYS 15 9.630 1.194 3.302 90 HB2 CYS 15 HB2 CYS 15 10.963 2.770 1.089 91 HB3 CYS 15 HB3 CYS 15 11.384 2.812 2.799 92 H ARG 16 H ARG 16 9.492 3.398 4.251 93 HA ARG 16 HA ARG 16 6.988 4.612 3.482 94 HB2 ARG 16 HB2 ARG 16 7.671 4.201 5.866 95 HB3 ARG 16 HB3 ARG 16 8.881 5.463 5.676 96 HG2 ARG 16 HG2 ARG 16 7.028 7.038 5.101 97 HG3 ARG 16 HG3 ARG 16 5.892 5.760 5.536 98 HD2 ARG 16 HD2 ARG 16 6.061 7.024 7.483 99 HD3 ARG 16 HD3 ARG 16 7.162 5.677 7.768 100 HE ARG 16 HE ARG 16 8.881 7.172 7.863 101 HH11 ARG 16 HH11 ARG 16 6.197 8.661 6.219 102 HH12 ARG 16 HH12 ARG 16 6.954 10.217 6.118 103 HH21 ARG 16 HH21 ARG 16 9.887 9.215 7.737 104 HH22 ARG 16 HH22 ARG 16 9.053 10.531 6.981 105 H GLY 17 H GLY 17 7.608 5.470 1.419 106 HA2 GLY 17 HA2 GLY 17 9.724 7.269 1.009 107 HA3 GLY 17 HA3 GLY 17 8.278 7.158 0.017 108 H LEU 18 H LEU 18 9.062 9.578 0.066 109 HA LEU 18 HA LEU 18 8.539 11.200 2.279 110 HB2 LEU 18 HB2 LEU 18 8.174 11.964 -0.611 111 HB3 LEU 18 HB3 LEU 18 8.489 13.047 0.743 112 HG LEU 18 HG LEU 18 10.451 10.958 -0.182 113 HD11 LEU 18 HD11 LEU 18 9.715 13.445 -1.437 114 HD12 LEU 18 HD12 LEU 18 10.839 12.200 -1.980 115 HD13 LEU 18 HD13 LEU 18 11.394 13.478 -0.898 116 HD21 LEU 18 HD21 LEU 18 11.997 12.664 0.974 117 HD22 LEU 18 HD22 LEU 18 11.023 11.592 1.981 118 HD23 LEU 18 HD23 LEU 18 10.520 13.264 1.729 119 H HIS 19 H HIS 19 6.439 10.503 -0.517 120 HA HIS 19 HA HIS 19 4.196 11.901 0.403 121 HB2 HIS 19 HB2 HIS 19 4.563 11.012 -1.927 122 HB3 HIS 19 HB3 HIS 19 4.139 9.416 -1.315 123 HD1 HIS 19 HD1 HIS 19 2.005 9.182 -2.680 124 HD2 HIS 19 HD2 HIS 19 2.070 12.585 -0.298 125 HE1 HIS 19 HE1 HIS 19 -0.336 10.097 -2.751 126 H GLY 20 H GLY 20 4.879 8.402 0.584 127 HA2 GLY 20 HA2 GLY 20 3.974 8.075 3.208 128 HA3 GLY 20 HA3 GLY 20 2.611 7.769 2.141 129 H TYR 21 H TYR 21 3.706 6.459 0.046 130 HA TYR 21 HA TYR 21 5.067 4.137 1.236 131 HB2 TYR 21 HB2 TYR 21 2.575 4.211 -0.429 132 HB3 TYR 21 HB3 TYR 21 3.633 2.806 -0.497 133 HD1 TYR 21 HD1 TYR 21 0.929 4.326 1.204 134 HD2 TYR 21 HD2 TYR 21 4.250 1.734 1.799 135 HE1 TYR 21 HE1 TYR 21 -0.137 3.435 3.234 136 HE2 TYR 21 HE2 TYR 21 3.193 0.836 3.829 137 HH TYR 21 HH TYR 21 1.225 2.031 5.561 138 H GLY 22 H GLY 22 6.483 3.007 -0.105 139 HA2 GLY 22 HA2 GLY 22 6.825 3.213 -2.827 140 HA3 GLY 22 HA3 GLY 22 7.714 4.573 -2.157 141 H CYS 23 H CYS 23 8.279 1.740 -3.419 142 HA CYS 23 HA CYS 23 9.814 0.350 -1.486 143 HB2 CYS 23 HB2 CYS 23 9.490 0.229 -4.447 144 HB3 CYS 23 HB3 CYS 23 10.902 -0.552 -3.743 145 H CYS 24 H CYS 24 12.019 0.297 -1.121 146 HA CYS 24 HA CYS 24 13.406 2.756 -1.449 147 HB2 CYS 24 HB2 CYS 24 14.125 0.060 -0.344 148 HB3 CYS 24 HB3 CYS 24 15.374 1.279 -0.579 Start of MODEL 8 1 H1 CYS 1 H CYS 1 2.345 1.911 -1.733 2 HA CYS 1 HA CYS 1 3.160 0.811 -3.555 3 HB2 CYS 1 HB2 CYS 1 4.757 -1.065 -3.014 4 HB3 CYS 1 HB3 CYS 1 5.083 0.452 -2.182 5 H ALA 2 H ALA 2 0.529 0.205 -3.117 6 HA ALA 2 HA ALA 2 -0.129 -2.504 -2.901 7 HB1 ALA 2 HB1 ALA 2 -2.254 -1.884 -3.423 8 HB2 ALA 2 HB2 ALA 2 -1.592 -0.294 -3.039 9 HB3 ALA 2 HB3 ALA 2 -1.741 -0.805 -4.720 10 H ASP 3 H ASP 3 0.351 -0.543 -5.840 11 HA ASP 3 HA ASP 3 0.287 -2.908 -7.509 12 HB2 ASP 3 HB2 ASP 3 1.036 -0.125 -8.394 13 HB3 ASP 3 HB3 ASP 3 0.361 -1.433 -9.362 14 H ALA 4 H ALA 4 2.661 -0.678 -6.210 15 HA ALA 4 HA ALA 4 4.875 -1.224 -7.752 16 HB1 ALA 4 HB1 ALA 4 4.367 -0.085 -5.172 17 HB2 ALA 4 HB2 ALA 4 5.819 -1.085 -5.112 18 HB3 ALA 4 HB3 ALA 4 5.699 0.224 -6.287 19 H VAL 5 H VAL 5 3.378 -3.209 -5.292 20 HA VAL 5 HA VAL 5 5.365 -5.005 -4.669 21 HB VAL 5 HB VAL 5 3.064 -5.000 -3.703 22 HG11 VAL 5 HG11 VAL 5 2.037 -4.989 -6.083 23 HG12 VAL 5 HG12 VAL 5 2.210 -6.742 -5.980 24 HG13 VAL 5 HG13 VAL 5 1.223 -5.881 -4.798 25 HG21 VAL 5 HG21 VAL 5 4.816 -7.146 -4.127 26 HG22 VAL 5 HG22 VAL 5 3.598 -6.988 -2.862 27 HG23 VAL 5 HG23 VAL 5 3.193 -7.788 -4.381 28 H TYR 6 H TYR 6 3.502 -4.752 -7.618 29 HA TYR 6 HA TYR 6 3.907 -7.224 -8.771 30 HB2 TYR 6 HB2 TYR 6 3.517 -4.472 -9.826 31 HB3 TYR 6 HB3 TYR 6 4.091 -5.690 -10.959 32 HD1 TYR 6 HD1 TYR 6 2.614 -7.284 -11.875 33 HD2 TYR 6 HD2 TYR 6 1.348 -4.882 -8.599 34 HE1 TYR 6 HE1 TYR 6 0.312 -8.093 -12.180 35 HE2 TYR 6 HE2 TYR 6 -0.958 -5.685 -8.894 36 HH TYR 6 HH TYR 6 -2.112 -7.648 -9.872 37 H THR 7 H THR 7 5.937 -4.354 -9.389 38 HA THR 7 HA THR 7 8.039 -5.957 -10.512 39 HB THR 7 HB THR 7 9.286 -3.859 -10.716 40 HG1 THR 7 HG1 THR 7 7.083 -2.723 -9.303 41 HG21 THR 7 HG21 THR 7 7.949 -4.045 -12.570 42 HG22 THR 7 HG22 THR 7 7.328 -2.534 -11.905 43 HG23 THR 7 HG23 THR 7 6.458 -4.043 -11.629 44 H CYS 8 H CYS 8 7.506 -4.227 -7.476 45 HA CYS 8 HA CYS 8 10.012 -4.409 -6.337 46 HB2 CYS 8 HB2 CYS 8 7.270 -4.556 -5.089 47 HB3 CYS 8 HB3 CYS 8 8.744 -4.518 -4.127 48 H ARG 9 H ARG 9 7.535 -6.878 -6.639 49 HA ARG 9 HA ARG 9 8.432 -8.789 -4.866 50 HB2 ARG 9 HB2 ARG 9 6.965 -8.874 -7.452 51 HB3 ARG 9 HB3 ARG 9 7.614 -10.391 -6.845 52 HG2 ARG 9 HG2 ARG 9 5.997 -8.650 -5.041 53 HG3 ARG 9 HG3 ARG 9 5.195 -9.668 -6.238 54 HD2 ARG 9 HD2 ARG 9 5.251 -11.066 -4.408 55 HD3 ARG 9 HD3 ARG 9 6.722 -11.539 -5.258 56 HE ARG 9 HE ARG 9 7.962 -10.698 -3.520 57 HH11 ARG 9 HH11 ARG 9 4.672 -9.593 -3.238 58 HH12 ARG 9 HH12 ARG 9 4.896 -8.924 -1.656 59 HH21 ARG 9 HH21 ARG 9 8.268 -9.820 -1.438 60 HH22 ARG 9 HH22 ARG 9 6.942 -9.052 -0.633 61 H ALA 10 H ALA 10 9.709 -7.934 -8.020 62 HA ALA 10 HA ALA 10 11.355 -10.114 -8.516 63 HB1 ALA 10 HB1 ALA 10 12.386 -8.828 -10.129 64 HB2 ALA 10 HB2 ALA 10 10.839 -8.000 -9.942 65 HB3 ALA 10 HB3 ALA 10 12.286 -7.352 -9.168 66 H GLY 11 H GLY 11 11.849 -7.345 -6.404 67 HA2 GLY 11 HA2 GLY 11 13.467 -8.449 -4.551 68 HA3 GLY 11 HA3 GLY 11 14.597 -8.061 -5.840 69 H GLN 12 H GLN 12 12.017 -6.577 -3.889 70 HA GLN 12 HA GLN 12 13.725 -4.246 -3.499 71 HB2 GLN 12 HB2 GLN 12 10.909 -4.072 -4.584 72 HB3 GLN 12 HB3 GLN 12 11.860 -2.700 -4.033 73 HG2 GLN 12 HG2 GLN 12 12.747 -4.522 -6.249 74 HG3 GLN 12 HG3 GLN 12 11.785 -3.070 -6.517 75 HE21 GLN 12 HE21 GLN 12 12.930 -1.385 -7.099 76 HE22 GLN 12 HE22 GLN 12 14.556 -1.038 -6.631 77 H THR 13 H THR 13 12.503 -2.648 -1.966 78 HA THR 13 HA THR 13 10.962 -4.160 0.028 79 HB THR 13 HB THR 13 12.237 -2.971 1.833 80 HG1 THR 13 HG1 THR 13 13.145 -1.427 0.175 81 HG21 THR 13 HG21 THR 13 14.408 -4.446 0.609 82 HG22 THR 13 HG22 THR 13 12.872 -5.295 0.439 83 HG23 THR 13 HG23 THR 13 13.453 -4.833 2.039 84 H CYS 14 H CYS 14 9.136 -3.152 0.522 85 HA CYS 14 HA CYS 14 8.483 -0.589 -0.464 86 HB2 CYS 14 HB2 CYS 14 6.892 -2.502 0.107 87 HB3 CYS 14 HB3 CYS 14 7.048 -1.995 1.786 88 H CYS 15 H CYS 15 9.232 1.282 0.259 89 HA CYS 15 HA CYS 15 9.744 1.572 3.148 90 HB2 CYS 15 HB2 CYS 15 11.079 3.063 0.879 91 HB3 CYS 15 HB3 CYS 15 11.454 3.220 2.592 92 H ARG 16 H ARG 16 9.706 3.988 3.795 93 HA ARG 16 HA ARG 16 7.219 5.132 2.721 94 HB2 ARG 16 HB2 ARG 16 8.537 5.644 5.393 95 HB3 ARG 16 HB3 ARG 16 6.979 6.266 4.867 96 HG2 ARG 16 HG2 ARG 16 5.999 4.112 4.919 97 HG3 ARG 16 HG3 ARG 16 7.569 3.330 5.110 98 HD2 ARG 16 HD2 ARG 16 7.790 4.060 7.322 99 HD3 ARG 16 HD3 ARG 16 6.545 5.294 7.132 100 HE ARG 16 HE ARG 16 5.511 2.660 6.769 101 HH11 ARG 16 HH11 ARG 16 6.454 4.997 9.170 102 HH12 ARG 16 HH12 ARG 16 5.401 4.362 10.391 103 HH21 ARG 16 HH21 ARG 16 4.121 1.814 8.367 104 HH22 ARG 16 HH22 ARG 16 4.075 2.551 9.933 105 H GLY 17 H GLY 17 8.168 6.259 0.992 106 HA2 GLY 17 HA2 GLY 17 10.354 8.066 1.379 107 HA3 GLY 17 HA3 GLY 17 9.339 7.951 -0.051 108 H LEU 18 H LEU 18 9.635 10.336 0.038 109 HA LEU 18 HA LEU 18 8.518 11.911 2.081 110 HB2 LEU 18 HB2 LEU 18 9.172 12.389 -0.798 111 HB3 LEU 18 HB3 LEU 18 8.325 13.620 0.137 112 HG LEU 18 HG LEU 18 11.037 12.490 0.825 113 HD11 LEU 18 HD11 LEU 18 10.385 14.271 -1.209 114 HD12 LEU 18 HD12 LEU 18 11.978 13.998 -0.506 115 HD13 LEU 18 HD13 LEU 18 10.949 15.286 0.118 116 HD21 LEU 18 HD21 LEU 18 9.132 14.212 2.218 117 HD22 LEU 18 HD22 LEU 18 10.750 14.902 2.087 118 HD23 LEU 18 HD23 LEU 18 10.523 13.322 2.837 119 H HIS 19 H HIS 19 7.138 10.547 -0.865 120 HA HIS 19 HA HIS 19 4.633 11.869 -0.665 121 HB2 HIS 19 HB2 HIS 19 5.779 10.555 -2.660 122 HB3 HIS 19 HB3 HIS 19 4.861 9.205 -1.998 123 HD1 HIS 19 HD1 HIS 19 2.441 11.273 -1.192 124 HD2 HIS 19 HD2 HIS 19 4.104 10.565 -4.933 125 HE1 HIS 19 HE1 HIS 19 0.677 11.949 -2.851 126 H GLY 20 H GLY 20 5.808 8.702 0.401 127 HA2 GLY 20 HA2 GLY 20 4.604 8.296 2.701 128 HA3 GLY 20 HA3 GLY 20 3.214 8.138 1.636 129 H TYR 21 H TYR 21 4.138 6.732 -0.466 130 HA TYR 21 HA TYR 21 5.286 4.284 0.694 131 HB2 TYR 21 HB2 TYR 21 2.813 4.576 -0.995 132 HB3 TYR 21 HB3 TYR 21 3.705 3.060 -0.935 133 HD1 TYR 21 HD1 TYR 21 1.152 4.984 0.574 134 HD2 TYR 21 HD2 TYR 21 4.146 2.091 1.446 135 HE1 TYR 21 HE1 TYR 21 -0.054 4.364 2.626 136 HE2 TYR 21 HE2 TYR 21 2.948 1.461 3.499 137 HH TYR 21 HH TYR 21 1.052 3.024 5.076 138 H GLY 22 H GLY 22 6.802 3.272 -0.512 139 HA2 GLY 22 HA2 GLY 22 7.051 3.283 -3.281 140 HA3 GLY 22 HA3 GLY 22 7.979 4.653 -2.691 141 H CYS 23 H CYS 23 8.399 1.688 -3.773 142 HA CYS 23 HA CYS 23 9.943 0.369 -1.823 143 HB2 CYS 23 HB2 CYS 23 9.586 0.140 -4.770 144 HB3 CYS 23 HB3 CYS 23 11.002 -0.630 -4.062 145 H CYS 24 H CYS 24 12.099 0.378 -1.354 146 HA CYS 24 HA CYS 24 13.554 2.759 -1.886 147 HB2 CYS 24 HB2 CYS 24 14.136 0.188 -0.465 148 HB3 CYS 24 HB3 CYS 24 15.462 1.287 -0.830 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.902 2.168 -1.521 2 HA CYS 1 HA CYS 1 3.117 0.540 -2.572 3 HB2 CYS 1 HB2 CYS 1 3.938 0.606 -0.133 4 HB3 CYS 1 HB3 CYS 1 3.048 -0.899 0.073 5 H ALA 2 H ALA 2 0.299 0.206 -2.844 6 HA ALA 2 HA ALA 2 -0.326 -2.583 -2.481 7 HB1 ALA 2 HB1 ALA 2 -2.436 -2.057 -3.551 8 HB2 ALA 2 HB2 ALA 2 -2.057 -0.843 -2.327 9 HB3 ALA 2 HB3 ALA 2 -1.822 -0.476 -4.036 10 H ASP 3 H ASP 3 0.160 -0.469 -5.311 11 HA ASP 3 HA ASP 3 0.270 -2.754 -7.085 12 HB2 ASP 3 HB2 ASP 3 0.568 -1.088 -8.864 13 HB3 ASP 3 HB3 ASP 3 -0.807 -0.685 -7.839 14 H ALA 4 H ALA 4 2.484 -0.484 -5.592 15 HA ALA 4 HA ALA 4 4.776 -0.845 -7.072 16 HB1 ALA 4 HB1 ALA 4 5.220 -0.837 -4.169 17 HB2 ALA 4 HB2 ALA 4 5.813 0.263 -5.414 18 HB3 ALA 4 HB3 ALA 4 4.183 0.456 -4.770 19 H VAL 5 H VAL 5 3.292 -3.025 -4.774 20 HA VAL 5 HA VAL 5 5.342 -4.758 -4.175 21 HB VAL 5 HB VAL 5 3.018 -4.911 -3.284 22 HG11 VAL 5 HG11 VAL 5 2.279 -6.594 -5.633 23 HG12 VAL 5 HG12 VAL 5 1.242 -5.742 -4.487 24 HG13 VAL 5 HG13 VAL 5 2.102 -4.842 -5.737 25 HG21 VAL 5 HG21 VAL 5 4.876 -6.808 -3.403 26 HG22 VAL 5 HG22 VAL 5 3.291 -7.089 -2.682 27 HG23 VAL 5 HG23 VAL 5 3.616 -7.620 -4.332 28 H TYR 6 H TYR 6 3.553 -4.445 -7.166 29 HA TYR 6 HA TYR 6 4.124 -6.832 -8.425 30 HB2 TYR 6 HB2 TYR 6 3.621 -4.053 -9.363 31 HB3 TYR 6 HB3 TYR 6 4.269 -5.197 -10.533 32 HD1 TYR 6 HD1 TYR 6 2.874 -6.790 -11.561 33 HD2 TYR 6 HD2 TYR 6 1.455 -4.629 -8.181 34 HE1 TYR 6 HE1 TYR 6 0.615 -7.684 -11.945 35 HE2 TYR 6 HE2 TYR 6 -0.807 -5.518 -8.555 36 HH TYR 6 HH TYR 6 -1.774 -6.951 -11.382 37 H THR 7 H THR 7 6.004 -3.828 -8.845 38 HA THR 7 HA THR 7 8.189 -5.147 -10.089 39 HB THR 7 HB THR 7 8.380 -2.471 -8.719 40 HG1 THR 7 HG1 THR 7 6.857 -1.820 -10.028 41 HG21 THR 7 HG21 THR 7 9.922 -3.977 -10.726 42 HG22 THR 7 HG22 THR 7 10.448 -2.739 -9.586 43 HG23 THR 7 HG23 THR 7 9.667 -2.272 -11.096 44 H CYS 8 H CYS 8 7.615 -3.974 -6.795 45 HA CYS 8 HA CYS 8 10.111 -4.390 -5.688 46 HB2 CYS 8 HB2 CYS 8 7.477 -3.898 -4.733 47 HB3 CYS 8 HB3 CYS 8 8.145 -5.226 -3.790 48 H ARG 9 H ARG 9 7.573 -6.720 -6.380 49 HA ARG 9 HA ARG 9 8.586 -8.904 -4.953 50 HB2 ARG 9 HB2 ARG 9 6.811 -8.619 -7.348 51 HB3 ARG 9 HB3 ARG 9 7.373 -10.216 -6.871 52 HG2 ARG 9 HG2 ARG 9 6.031 -8.382 -4.918 53 HG3 ARG 9 HG3 ARG 9 5.108 -9.430 -5.997 54 HD2 ARG 9 HD2 ARG 9 7.284 -10.443 -4.181 55 HD3 ARG 9 HD3 ARG 9 5.592 -10.351 -3.693 56 HE ARG 9 HE ARG 9 5.603 -11.742 -6.065 57 HH11 ARG 9 HH11 ARG 9 7.042 -12.116 -2.917 58 HH12 ARG 9 HH12 ARG 9 7.059 -13.847 -2.987 59 HH21 ARG 9 HH21 ARG 9 5.620 -14.020 -6.169 60 HH22 ARG 9 HH22 ARG 9 6.251 -14.929 -4.838 61 H ALA 10 H ALA 10 9.402 -7.615 -8.113 62 HA ALA 10 HA ALA 10 10.844 -9.738 -9.175 63 HB1 ALA 10 HB1 ALA 10 11.727 -8.233 -10.709 64 HB2 ALA 10 HB2 ALA 10 10.214 -7.469 -10.223 65 HB3 ALA 10 HB3 ALA 10 11.742 -6.905 -9.548 66 H GLY 11 H GLY 11 12.078 -7.009 -7.231 67 HA2 GLY 11 HA2 GLY 11 13.847 -8.545 -5.703 68 HA3 GLY 11 HA3 GLY 11 14.736 -7.942 -7.095 69 H GLN 12 H GLN 12 12.505 -6.759 -4.579 70 HA GLN 12 HA GLN 12 14.357 -4.707 -3.806 71 HB2 GLN 12 HB2 GLN 12 13.021 -3.907 -5.915 72 HB3 GLN 12 HB3 GLN 12 11.719 -3.660 -4.759 73 HG2 GLN 12 HG2 GLN 12 12.597 -1.739 -4.117 74 HG3 GLN 12 HG3 GLN 12 14.124 -2.527 -3.721 75 HE21 GLN 12 HE21 GLN 12 12.359 -1.766 -6.709 76 HE22 GLN 12 HE22 GLN 12 13.693 -1.012 -7.506 77 H THR 13 H THR 13 13.341 -3.258 -2.093 78 HA THR 13 HA THR 13 11.400 -4.822 -0.517 79 HB THR 13 HB THR 13 12.525 -3.723 1.502 80 HG1 THR 13 HG1 THR 13 13.803 -2.356 -0.162 81 HG21 THR 13 HG21 THR 13 13.999 -5.521 1.765 82 HG22 THR 13 HG22 THR 13 14.362 -5.595 0.041 83 HG23 THR 13 HG23 THR 13 12.792 -6.132 0.635 84 H CYS 14 H CYS 14 9.569 -3.809 -0.037 85 HA CYS 14 HA CYS 14 9.062 -1.148 -0.862 86 HB2 CYS 14 HB2 CYS 14 7.287 -2.818 -0.796 87 HB3 CYS 14 HB3 CYS 14 7.466 -2.971 0.949 88 H CYS 15 H CYS 15 9.343 0.724 0.160 89 HA CYS 15 HA CYS 15 9.763 0.684 3.075 90 HB2 CYS 15 HB2 CYS 15 11.191 2.542 1.170 91 HB3 CYS 15 HB3 CYS 15 11.509 2.312 2.887 92 H ARG 16 H ARG 16 9.554 2.970 4.006 93 HA ARG 16 HA ARG 16 7.059 4.092 2.981 94 HB2 ARG 16 HB2 ARG 16 7.601 3.421 5.468 95 HB3 ARG 16 HB3 ARG 16 8.352 5.010 5.516 96 HG2 ARG 16 HG2 ARG 16 5.519 4.587 4.615 97 HG3 ARG 16 HG3 ARG 16 5.958 4.866 6.302 98 HD2 ARG 16 HD2 ARG 16 7.205 6.937 5.390 99 HD3 ARG 16 HD3 ARG 16 6.209 6.709 3.953 100 HE ARG 16 HE ARG 16 4.447 6.679 6.049 101 HH11 ARG 16 HH11 ARG 16 6.830 8.905 4.832 102 HH12 ARG 16 HH12 ARG 16 5.985 10.314 5.381 103 HH21 ARG 16 HH21 ARG 16 3.325 8.526 6.778 104 HH22 ARG 16 HH22 ARG 16 3.992 10.098 6.489 105 H GLY 17 H GLY 17 7.709 5.362 1.261 106 HA2 GLY 17 HA2 GLY 17 9.909 7.134 1.309 107 HA3 GLY 17 HA3 GLY 17 8.561 7.202 0.184 108 H LEU 18 H LEU 18 9.747 9.512 1.082 109 HA LEU 18 HA LEU 18 8.749 10.718 3.354 110 HB2 LEU 18 HB2 LEU 18 9.292 12.790 2.381 111 HB3 LEU 18 HB3 LEU 18 10.447 11.627 1.734 112 HG LEU 18 HG LEU 18 7.996 12.507 0.224 113 HD11 LEU 18 HD11 LEU 18 9.285 14.138 -0.904 114 HD12 LEU 18 HD12 LEU 18 10.775 13.600 -0.131 115 HD13 LEU 18 HD13 LEU 18 9.532 14.413 0.820 116 HD21 LEU 18 HD21 LEU 18 8.907 10.452 -0.585 117 HD22 LEU 18 HD22 LEU 18 10.547 11.099 -0.543 118 HD23 LEU 18 HD23 LEU 18 9.378 11.731 -1.704 119 H HIS 19 H HIS 19 7.180 10.172 0.270 120 HA HIS 19 HA HIS 19 4.912 11.832 0.848 121 HB2 HIS 19 HB2 HIS 19 5.636 11.373 -1.467 122 HB3 HIS 19 HB3 HIS 19 5.245 9.671 -1.244 123 HD1 HIS 19 HD1 HIS 19 2.744 9.019 -1.243 124 HD2 HIS 19 HD2 HIS 19 3.444 13.066 -1.868 125 HE1 HIS 19 HE1 HIS 19 0.556 9.963 -2.046 126 H GLY 20 H GLY 20 5.658 8.387 1.053 127 HA2 GLY 20 HA2 GLY 20 4.148 7.707 3.185 128 HA3 GLY 20 HA3 GLY 20 2.970 7.705 1.881 129 H TYR 21 H TYR 21 4.283 6.625 -0.206 130 HA TYR 21 HA TYR 21 5.293 4.040 0.768 131 HB2 TYR 21 HB2 TYR 21 3.401 4.338 -1.568 132 HB3 TYR 21 HB3 TYR 21 3.958 2.842 -0.827 133 HD1 TYR 21 HD1 TYR 21 1.172 4.734 -1.170 134 HD2 TYR 21 HD2 TYR 21 3.525 3.023 1.934 135 HE1 TYR 21 HE1 TYR 21 -0.788 4.749 0.316 136 HE2 TYR 21 HE2 TYR 21 1.571 3.032 3.429 137 HH TYR 21 HH TYR 21 -1.452 4.554 2.490 138 H GLY 22 H GLY 22 6.858 3.049 -0.482 139 HA2 GLY 22 HA2 GLY 22 7.568 3.709 -3.101 140 HA3 GLY 22 HA3 GLY 22 8.510 4.737 -2.032 141 H CYS 23 H CYS 23 8.754 2.066 -3.792 142 HA CYS 23 HA CYS 23 9.991 0.267 -1.927 143 HB2 CYS 23 HB2 CYS 23 9.649 0.329 -4.907 144 HB3 CYS 23 HB3 CYS 23 10.770 -0.814 -4.175 145 H CYS 24 H CYS 24 12.164 -0.183 -1.667 146 HA CYS 24 HA CYS 24 13.958 1.998 -2.388 147 HB2 CYS 24 HB2 CYS 24 14.252 -0.345 -0.503 148 HB3 CYS 24 HB3 CYS 24 15.544 0.807 -0.828 Start of MODEL 10 1 H1 CYS 1 H CYS 1 1.723 0.883 -0.091 2 HA CYS 1 HA CYS 1 2.743 0.187 -2.251 3 HB2 CYS 1 HB2 CYS 1 4.787 -0.751 -1.357 4 HB3 CYS 1 HB3 CYS 1 4.187 0.478 -0.249 5 H ALA 2 H ALA 2 0.390 -1.420 -2.010 6 HA ALA 2 HA ALA 2 1.172 -4.189 -2.152 7 HB1 ALA 2 HB1 ALA 2 -1.048 -3.364 -1.299 8 HB2 ALA 2 HB2 ALA 2 -1.474 -3.015 -2.975 9 HB3 ALA 2 HB3 ALA 2 -1.126 -4.672 -2.480 10 H ASP 3 H ASP 3 -0.140 -1.832 -4.483 11 HA ASP 3 HA ASP 3 0.010 -3.457 -6.748 12 HB2 ASP 3 HB2 ASP 3 0.254 -0.450 -6.531 13 HB3 ASP 3 HB3 ASP 3 -0.006 -1.329 -8.035 14 H ALA 4 H ALA 4 2.430 -1.393 -5.235 15 HA ALA 4 HA ALA 4 4.365 -1.471 -7.263 16 HB1 ALA 4 HB1 ALA 4 4.207 -0.127 -4.989 17 HB2 ALA 4 HB2 ALA 4 5.248 -1.436 -4.427 18 HB3 ALA 4 HB3 ALA 4 5.753 -0.429 -5.784 19 H VAL 5 H VAL 5 3.526 -3.765 -4.759 20 HA VAL 5 HA VAL 5 5.759 -5.360 -4.616 21 HB VAL 5 HB VAL 5 2.885 -6.293 -4.667 22 HG11 VAL 5 HG11 VAL 5 4.441 -8.136 -5.019 23 HG12 VAL 5 HG12 VAL 5 5.355 -7.651 -3.589 24 HG13 VAL 5 HG13 VAL 5 3.699 -8.237 -3.423 25 HG21 VAL 5 HG21 VAL 5 4.627 -5.096 -2.570 26 HG22 VAL 5 HG22 VAL 5 2.910 -4.849 -2.887 27 HG23 VAL 5 HG23 VAL 5 3.457 -6.328 -2.098 28 H TYR 6 H TYR 6 3.422 -5.120 -7.205 29 HA TYR 6 HA TYR 6 3.836 -7.441 -8.615 30 HB2 TYR 6 HB2 TYR 6 3.111 -4.658 -9.368 31 HB3 TYR 6 HB3 TYR 6 3.597 -5.738 -10.670 32 HD1 TYR 6 HD1 TYR 6 2.173 -7.514 -11.399 33 HD2 TYR 6 HD2 TYR 6 1.119 -5.189 -7.995 34 HE1 TYR 6 HE1 TYR 6 -0.089 -8.478 -11.448 35 HE2 TYR 6 HE2 TYR 6 -1.146 -6.148 -8.034 36 HH TYR 6 HH TYR 6 -1.997 -8.796 -9.397 37 H THR 7 H THR 7 5.559 -4.384 -9.271 38 HA THR 7 HA THR 7 7.608 -5.792 -10.744 39 HB THR 7 HB THR 7 8.639 -3.368 -10.695 40 HG1 THR 7 HG1 THR 7 7.103 -2.602 -9.127 41 HG21 THR 7 HG21 THR 7 6.159 -4.153 -12.225 42 HG22 THR 7 HG22 THR 7 7.837 -4.378 -12.720 43 HG23 THR 7 HG23 THR 7 7.158 -2.754 -12.614 44 H CYS 8 H CYS 8 7.371 -3.994 -7.699 45 HA CYS 8 HA CYS 8 10.017 -3.975 -6.925 46 HB2 CYS 8 HB2 CYS 8 7.531 -4.308 -5.238 47 HB3 CYS 8 HB3 CYS 8 9.131 -4.001 -4.570 48 H ARG 9 H ARG 9 7.752 -6.628 -6.942 49 HA ARG 9 HA ARG 9 8.913 -8.420 -5.203 50 HB2 ARG 9 HB2 ARG 9 7.178 -8.590 -7.555 51 HB3 ARG 9 HB3 ARG 9 8.153 -10.032 -7.304 52 HG2 ARG 9 HG2 ARG 9 6.626 -8.851 -5.027 53 HG3 ARG 9 HG3 ARG 9 5.806 -9.857 -6.223 54 HD2 ARG 9 HD2 ARG 9 7.532 -11.618 -5.798 55 HD3 ARG 9 HD3 ARG 9 8.136 -10.624 -4.473 56 HE ARG 9 HE ARG 9 5.376 -11.030 -4.137 57 HH11 ARG 9 HH11 ARG 9 8.385 -12.775 -4.000 58 HH12 ARG 9 HH12 ARG 9 7.817 -13.923 -2.834 59 HH21 ARG 9 HH21 ARG 9 4.616 -12.535 -2.602 60 HH22 ARG 9 HH22 ARG 9 5.672 -13.786 -2.039 61 H ALA 10 H ALA 10 9.975 -7.457 -8.391 62 HA ALA 10 HA ALA 10 11.744 -9.505 -9.009 63 HB1 ALA 10 HB1 ALA 10 11.052 -7.533 -10.448 64 HB2 ALA 10 HB2 ALA 10 12.304 -6.615 -9.610 65 HB3 ALA 10 HB3 ALA 10 12.739 -8.038 -10.557 66 H GLY 11 H GLY 11 12.211 -6.663 -6.957 67 HA2 GLY 11 HA2 GLY 11 14.060 -7.830 -5.252 68 HA3 GLY 11 HA3 GLY 11 14.993 -7.065 -6.530 69 H GLN 12 H GLN 12 12.283 -6.322 -4.336 70 HA GLN 12 HA GLN 12 13.632 -3.949 -3.411 71 HB2 GLN 12 HB2 GLN 12 11.273 -3.811 -5.248 72 HB3 GLN 12 HB3 GLN 12 11.459 -2.595 -3.992 73 HG2 GLN 12 HG2 GLN 12 13.818 -2.265 -4.922 74 HG3 GLN 12 HG3 GLN 12 13.246 -3.166 -6.325 75 HE21 GLN 12 HE21 GLN 12 11.095 -2.335 -7.192 76 HE22 GLN 12 HE22 GLN 12 10.947 -0.620 -7.334 77 H THR 13 H THR 13 12.556 -2.947 -1.604 78 HA THR 13 HA THR 13 10.631 -4.757 -0.296 79 HB THR 13 HB THR 13 12.291 -2.894 1.333 80 HG1 THR 13 HG1 THR 13 13.241 -5.326 0.185 81 HG21 THR 13 HG21 THR 13 11.006 -5.583 1.665 82 HG22 THR 13 HG22 THR 13 10.791 -4.119 2.626 83 HG23 THR 13 HG23 THR 13 12.280 -5.054 2.764 84 H CYS 14 H CYS 14 9.100 -3.763 1.176 85 HA CYS 14 HA CYS 14 7.918 -1.419 0.048 86 HB2 CYS 14 HB2 CYS 14 6.572 -3.263 0.991 87 HB3 CYS 14 HB3 CYS 14 7.212 -2.900 2.591 88 H CYS 15 H CYS 15 8.338 0.625 0.529 89 HA CYS 15 HA CYS 15 9.252 1.313 3.226 90 HB2 CYS 15 HB2 CYS 15 10.575 2.450 0.762 91 HB3 CYS 15 HB3 CYS 15 11.070 2.650 2.439 92 H ARG 16 H ARG 16 9.426 3.861 3.315 93 HA ARG 16 HA ARG 16 7.305 5.122 1.755 94 HB2 ARG 16 HB2 ARG 16 6.427 6.123 3.952 95 HB3 ARG 16 HB3 ARG 16 5.992 4.461 3.577 96 HG2 ARG 16 HG2 ARG 16 7.809 3.686 5.055 97 HG3 ARG 16 HG3 ARG 16 8.142 5.367 5.479 98 HD2 ARG 16 HD2 ARG 16 6.536 5.331 7.012 99 HD3 ARG 16 HD3 ARG 16 5.351 4.856 5.796 100 HE ARG 16 HE ARG 16 6.638 2.539 6.385 101 HH11 ARG 16 HH11 ARG 16 5.015 4.963 8.285 102 HH12 ARG 16 HH12 ARG 16 4.510 3.849 9.513 103 HH21 ARG 16 HH21 ARG 16 5.981 1.063 7.995 104 HH22 ARG 16 HH22 ARG 16 5.061 1.631 9.347 105 H GLY 17 H GLY 17 8.162 6.917 0.952 106 HA2 GLY 17 HA2 GLY 17 10.479 8.137 2.175 107 HA3 GLY 17 HA3 GLY 17 9.704 8.632 0.677 108 H LEU 18 H LEU 18 9.378 10.760 0.956 109 HA LEU 18 HA LEU 18 8.396 11.784 3.488 110 HB2 LEU 18 HB2 LEU 18 8.612 13.985 2.418 111 HB3 LEU 18 HB3 LEU 18 10.103 13.049 2.360 112 HG LEU 18 HG LEU 18 9.114 12.417 -0.044 113 HD11 LEU 18 HD11 LEU 18 8.415 15.026 -0.638 114 HD12 LEU 18 HD12 LEU 18 7.541 14.678 0.853 115 HD13 LEU 18 HD13 LEU 18 7.328 13.640 -0.556 116 HD21 LEU 18 HD21 LEU 18 11.317 13.295 0.300 117 HD22 LEU 18 HD22 LEU 18 10.673 14.886 0.705 118 HD23 LEU 18 HD23 LEU 18 10.522 14.266 -0.940 119 H HIS 19 H HIS 19 7.250 11.265 0.207 120 HA HIS 19 HA HIS 19 4.830 12.693 0.413 121 HB2 HIS 19 HB2 HIS 19 5.896 10.568 -1.387 122 HB3 HIS 19 HB3 HIS 19 4.162 10.876 -1.411 123 HD1 HIS 19 HD1 HIS 19 4.097 13.911 -1.224 124 HD2 HIS 19 HD2 HIS 19 6.762 11.821 -3.630 125 HE1 HIS 19 HE1 HIS 19 4.792 15.529 -3.020 126 H GLY 20 H GLY 20 5.404 9.173 0.641 127 HA2 GLY 20 HA2 GLY 20 3.791 8.778 2.897 128 HA3 GLY 20 HA3 GLY 20 2.792 8.530 1.473 129 H TYR 21 H TYR 21 4.533 7.308 -0.254 130 HA TYR 21 HA TYR 21 5.421 4.904 1.192 131 HB2 TYR 21 HB2 TYR 21 4.597 3.684 -0.972 132 HB3 TYR 21 HB3 TYR 21 3.447 4.085 0.299 133 HD1 TYR 21 HD1 TYR 21 4.938 6.200 -2.390 134 HD2 TYR 21 HD2 TYR 21 1.412 4.484 -0.740 135 HE1 TYR 21 HE1 TYR 21 3.578 7.443 -4.019 136 HE2 TYR 21 HE2 TYR 21 0.042 5.721 -2.365 137 HH TYR 21 HH TYR 21 1.534 7.722 -4.879 138 H GLY 22 H GLY 22 6.533 3.413 -0.664 139 HA2 GLY 22 HA2 GLY 22 7.895 4.413 -2.805 140 HA3 GLY 22 HA3 GLY 22 8.860 4.922 -1.427 141 H CYS 23 H CYS 23 9.323 2.966 -3.672 142 HA CYS 23 HA CYS 23 9.742 0.517 -2.107 143 HB2 CYS 23 HB2 CYS 23 8.999 1.035 -4.841 144 HB3 CYS 23 HB3 CYS 23 10.476 0.078 -4.795 145 H CYS 24 H CYS 24 11.707 0.014 -1.407 146 HA CYS 24 HA CYS 24 13.965 1.657 -2.164 147 HB2 CYS 24 HB2 CYS 24 13.753 -0.642 -0.208 148 HB3 CYS 24 HB3 CYS 24 15.170 0.382 -0.417 Start of MODEL 11 1 H1 CYS 1 H CYS 1 1.142 0.233 -0.290 2 HA CYS 1 HA CYS 1 1.334 0.100 -2.824 3 HB2 CYS 1 HB2 CYS 1 3.697 -0.613 -2.805 4 HB3 CYS 1 HB3 CYS 1 3.338 0.509 -1.496 5 H ALA 2 H ALA 2 -0.566 -1.812 -2.483 6 HA ALA 2 HA ALA 2 0.212 -4.475 -2.815 7 HB1 ALA 2 HB1 ALA 2 -2.022 -4.872 -3.653 8 HB2 ALA 2 HB2 ALA 2 -2.085 -3.751 -2.292 9 HB3 ALA 2 HB3 ALA 2 -2.250 -3.147 -3.941 10 H ASP 3 H ASP 3 -0.663 -2.076 -5.304 11 HA ASP 3 HA ASP 3 -0.103 -3.730 -7.511 12 HB2 ASP 3 HB2 ASP 3 -0.465 -0.796 -7.100 13 HB3 ASP 3 HB3 ASP 3 0.233 -1.344 -8.621 14 H ALA 4 H ALA 4 1.898 -1.481 -5.674 15 HA ALA 4 HA ALA 4 4.136 -1.432 -7.349 16 HB1 ALA 4 HB1 ALA 4 3.461 -0.308 -4.931 17 HB2 ALA 4 HB2 ALA 4 4.805 -1.372 -4.517 18 HB3 ALA 4 HB3 ALA 4 5.010 -0.135 -5.757 19 H VAL 5 H VAL 5 3.051 -3.809 -5.027 20 HA VAL 5 HA VAL 5 5.332 -5.256 -4.520 21 HB VAL 5 HB VAL 5 2.579 -6.384 -5.049 22 HG11 VAL 5 HG11 VAL 5 5.093 -7.563 -3.960 23 HG12 VAL 5 HG12 VAL 5 3.537 -8.112 -3.331 24 HG13 VAL 5 HG13 VAL 5 3.899 -8.267 -5.051 25 HG21 VAL 5 HG21 VAL 5 2.137 -5.024 -3.286 26 HG22 VAL 5 HG22 VAL 5 2.793 -6.394 -2.388 27 HG23 VAL 5 HG23 VAL 5 3.814 -5.000 -2.740 28 H TYR 6 H TYR 6 3.352 -5.248 -7.424 29 HA TYR 6 HA TYR 6 4.276 -7.498 -8.724 30 HB2 TYR 6 HB2 TYR 6 3.199 -4.874 -9.609 31 HB3 TYR 6 HB3 TYR 6 4.002 -5.858 -10.826 32 HD1 TYR 6 HD1 TYR 6 3.147 -8.191 -11.258 33 HD2 TYR 6 HD2 TYR 6 1.011 -5.381 -8.883 34 HE1 TYR 6 HE1 TYR 6 1.096 -9.517 -11.545 35 HE2 TYR 6 HE2 TYR 6 -1.046 -6.700 -9.162 36 HH TYR 6 HH TYR 6 -1.683 -8.673 -11.345 37 H THR 7 H THR 7 5.627 -4.207 -8.950 38 HA THR 7 HA THR 7 7.904 -5.068 -10.453 39 HB THR 7 HB THR 7 8.752 -2.703 -9.775 40 HG1 THR 7 HG1 THR 7 6.008 -2.248 -9.275 41 HG21 THR 7 HG21 THR 7 7.815 -1.881 -11.692 42 HG22 THR 7 HG22 THR 7 6.212 -2.510 -11.309 43 HG23 THR 7 HG23 THR 7 7.462 -3.593 -11.921 44 H CYS 8 H CYS 8 7.352 -4.123 -7.079 45 HA CYS 8 HA CYS 8 9.942 -4.177 -6.129 46 HB2 CYS 8 HB2 CYS 8 7.430 -5.104 -4.718 47 HB3 CYS 8 HB3 CYS 8 8.957 -4.732 -3.924 48 H ARG 9 H ARG 9 7.774 -6.861 -6.796 49 HA ARG 9 HA ARG 9 9.063 -8.937 -5.515 50 HB2 ARG 9 HB2 ARG 9 7.387 -8.725 -7.966 51 HB3 ARG 9 HB3 ARG 9 8.262 -10.228 -7.707 52 HG2 ARG 9 HG2 ARG 9 6.626 -9.090 -5.491 53 HG3 ARG 9 HG3 ARG 9 5.831 -9.942 -6.817 54 HD2 ARG 9 HD2 ARG 9 6.201 -11.693 -5.400 55 HD3 ARG 9 HD3 ARG 9 7.703 -11.734 -6.322 56 HE ARG 9 HE ARG 9 8.095 -10.069 -4.120 57 HH11 ARG 9 HH11 ARG 9 7.476 -13.426 -4.802 58 HH12 ARG 9 HH12 ARG 9 8.301 -14.000 -3.390 59 HH21 ARG 9 HH21 ARG 9 9.184 -10.811 -2.259 60 HH22 ARG 9 HH22 ARG 9 9.271 -12.511 -1.944 61 H ALA 10 H ALA 10 9.900 -7.335 -8.527 62 HA ALA 10 HA ALA 10 11.760 -9.125 -9.551 63 HB1 ALA 10 HB1 ALA 10 10.933 -7.144 -10.751 64 HB2 ALA 10 HB2 ALA 10 11.891 -6.115 -9.685 65 HB3 ALA 10 HB3 ALA 10 12.694 -7.250 -10.769 66 H GLY 11 H GLY 11 12.279 -6.433 -7.278 67 HA2 GLY 11 HA2 GLY 11 14.175 -7.708 -5.706 68 HA3 GLY 11 HA3 GLY 11 15.068 -6.895 -6.984 69 H GLN 12 H GLN 12 12.350 -6.137 -4.797 70 HA GLN 12 HA GLN 12 13.789 -3.945 -3.631 71 HB2 GLN 12 HB2 GLN 12 12.738 -3.202 -5.932 72 HB3 GLN 12 HB3 GLN 12 11.259 -3.111 -4.985 73 HG2 GLN 12 HG2 GLN 12 11.984 -1.335 -3.759 74 HG3 GLN 12 HG3 GLN 12 13.683 -1.780 -3.912 75 HE21 GLN 12 HE21 GLN 12 10.990 -0.901 -6.056 76 HE22 GLN 12 HE22 GLN 12 11.896 0.213 -7.017 77 H THR 13 H THR 13 12.619 -2.933 -1.880 78 HA THR 13 HA THR 13 10.385 -4.590 -0.903 79 HB THR 13 HB THR 13 11.230 -3.827 1.418 80 HG1 THR 13 HG1 THR 13 12.844 -2.391 0.246 81 HG21 THR 13 HG21 THR 13 12.936 -5.764 -0.150 82 HG22 THR 13 HG22 THR 13 11.346 -6.143 0.514 83 HG23 THR 13 HG23 THR 13 12.682 -5.746 1.594 84 H CYS 14 H CYS 14 8.753 -3.553 0.310 85 HA CYS 14 HA CYS 14 8.229 -0.853 -0.538 86 HB2 CYS 14 HB2 CYS 14 6.538 -2.799 -0.239 87 HB3 CYS 14 HB3 CYS 14 6.572 -2.360 1.466 88 H CYS 15 H CYS 15 8.490 0.977 0.585 89 HA CYS 15 HA CYS 15 8.822 0.886 3.480 90 HB2 CYS 15 HB2 CYS 15 10.898 2.167 3.434 91 HB3 CYS 15 HB3 CYS 15 11.103 0.645 2.574 92 H ARG 16 H ARG 16 9.222 3.278 4.259 93 HA ARG 16 HA ARG 16 6.996 4.800 3.227 94 HB2 ARG 16 HB2 ARG 16 8.807 5.008 5.596 95 HB3 ARG 16 HB3 ARG 16 7.901 6.428 5.093 96 HG2 ARG 16 HG2 ARG 16 5.853 5.449 5.568 97 HG3 ARG 16 HG3 ARG 16 6.514 3.814 5.519 98 HD2 ARG 16 HD2 ARG 16 7.479 4.005 7.621 99 HD3 ARG 16 HD3 ARG 16 7.466 5.767 7.575 100 HE ARG 16 HE ARG 16 4.821 4.816 7.529 101 HH11 ARG 16 HH11 ARG 16 7.554 5.068 9.670 102 HH12 ARG 16 HH12 ARG 16 6.588 5.139 11.106 103 HH21 ARG 16 HH21 ARG 16 3.538 4.909 9.413 104 HH22 ARG 16 HH22 ARG 16 4.304 5.047 10.959 105 H GLY 17 H GLY 17 7.586 5.558 1.210 106 HA2 GLY 17 HA2 GLY 17 10.052 6.720 0.547 107 HA3 GLY 17 HA3 GLY 17 8.542 6.984 -0.312 108 H LEU 18 H LEU 18 9.597 9.148 -0.576 109 HA LEU 18 HA LEU 18 9.945 10.906 1.590 110 HB2 LEU 18 HB2 LEU 18 9.586 11.216 -1.349 111 HB3 LEU 18 HB3 LEU 18 9.448 12.645 -0.328 112 HG LEU 18 HG LEU 18 11.865 10.878 -0.173 113 HD11 LEU 18 HD11 LEU 18 11.182 12.898 -2.270 114 HD12 LEU 18 HD12 LEU 18 11.945 11.317 -2.442 115 HD13 LEU 18 HD13 LEU 18 12.855 12.665 -1.762 116 HD21 LEU 18 HD21 LEU 18 11.029 13.077 1.256 117 HD22 LEU 18 HD22 LEU 18 12.140 13.766 0.072 118 HD23 LEU 18 HD23 LEU 18 12.685 12.479 1.149 119 H HIS 19 H HIS 19 7.293 10.894 -0.800 120 HA HIS 19 HA HIS 19 5.629 12.679 0.527 121 HB2 HIS 19 HB2 HIS 19 5.161 10.509 -1.478 122 HB3 HIS 19 HB3 HIS 19 3.775 11.297 -0.731 123 HD1 HIS 19 HD1 HIS 19 4.020 14.098 -0.892 124 HD2 HIS 19 HD2 HIS 19 5.925 11.752 -3.743 125 HE1 HIS 19 HE1 HIS 19 4.444 15.625 -2.844 126 H GLY 20 H GLY 20 6.025 9.211 0.952 127 HA2 GLY 20 HA2 GLY 20 5.259 9.090 3.586 128 HA3 GLY 20 HA3 GLY 20 3.764 8.901 2.682 129 H TYR 21 H TYR 21 4.419 7.356 0.588 130 HA TYR 21 HA TYR 21 5.696 4.967 1.733 131 HB2 TYR 21 HB2 TYR 21 3.765 3.868 0.158 132 HB3 TYR 21 HB3 TYR 21 3.617 4.098 1.897 133 HD1 TYR 21 HD1 TYR 21 2.468 5.165 -1.382 134 HD2 TYR 21 HD2 TYR 21 2.309 5.996 2.788 135 HE1 TYR 21 HE1 TYR 21 0.497 6.590 -1.747 136 HE2 TYR 21 HE2 TYR 21 0.338 7.423 2.434 137 HH TYR 21 HH TYR 21 -0.534 8.812 0.108 138 H GLY 22 H GLY 22 6.142 3.294 -0.006 139 HA2 GLY 22 HA2 GLY 22 6.221 3.390 -2.633 140 HA3 GLY 22 HA3 GLY 22 7.351 4.689 -2.278 141 H CYS 23 H CYS 23 7.659 1.995 -3.575 142 HA CYS 23 HA CYS 23 9.158 0.318 -1.866 143 HB2 CYS 23 HB2 CYS 23 8.191 0.159 -4.454 144 HB3 CYS 23 HB3 CYS 23 9.937 0.194 -4.679 145 H CYS 24 H CYS 24 11.251 0.310 -1.288 146 HA CYS 24 HA CYS 24 12.833 2.643 -1.772 147 HB2 CYS 24 HB2 CYS 24 13.135 0.138 -0.183 148 HB3 CYS 24 HB3 CYS 24 14.592 1.047 -0.572 Start of MODEL 12 1 H1 CYS 1 H CYS 1 1.522 -1.348 1.436 2 HA CYS 1 HA CYS 1 1.842 0.253 -1.012 3 HB2 CYS 1 HB2 CYS 1 4.146 -0.693 -1.084 4 HB3 CYS 1 HB3 CYS 1 3.834 0.274 0.353 5 H ALA 2 H ALA 2 -0.189 -1.391 -1.293 6 HA ALA 2 HA ALA 2 0.359 -4.049 -2.035 7 HB1 ALA 2 HB1 ALA 2 -1.890 -3.394 -1.549 8 HB2 ALA 2 HB2 ALA 2 -1.877 -2.201 -2.849 9 HB3 ALA 2 HB3 ALA 2 -1.825 -3.922 -3.231 10 H ASP 3 H ASP 3 -0.085 -1.149 -4.060 11 HA ASP 3 HA ASP 3 0.454 -2.378 -6.518 12 HB2 ASP 3 HB2 ASP 3 1.029 0.499 -5.780 13 HB3 ASP 3 HB3 ASP 3 0.762 -0.144 -7.398 14 H ALA 4 H ALA 4 2.606 -0.791 -4.200 15 HA ALA 4 HA ALA 4 4.953 -0.721 -5.644 16 HB1 ALA 4 HB1 ALA 4 5.961 -0.208 -3.691 17 HB2 ALA 4 HB2 ALA 4 4.298 -0.091 -3.116 18 HB3 ALA 4 HB3 ALA 4 5.228 -1.562 -2.830 19 H VAL 5 H VAL 5 3.378 -3.458 -4.138 20 HA VAL 5 HA VAL 5 5.401 -5.316 -3.996 21 HB VAL 5 HB VAL 5 2.564 -5.831 -4.900 22 HG11 VAL 5 HG11 VAL 5 3.054 -8.094 -3.825 23 HG12 VAL 5 HG12 VAL 5 3.777 -7.776 -5.403 24 HG13 VAL 5 HG13 VAL 5 4.756 -7.647 -3.941 25 HG21 VAL 5 HG21 VAL 5 3.186 -6.528 -2.170 26 HG22 VAL 5 HG22 VAL 5 3.486 -4.817 -2.473 27 HG23 VAL 5 HG23 VAL 5 1.896 -5.505 -2.802 28 H TYR 6 H TYR 6 3.646 -4.203 -6.830 29 HA TYR 6 HA TYR 6 4.332 -6.121 -8.690 30 HB2 TYR 6 HB2 TYR 6 3.744 -3.203 -8.840 31 HB3 TYR 6 HB3 TYR 6 4.420 -3.978 -10.268 32 HD1 TYR 6 HD1 TYR 6 3.183 -5.873 -11.335 33 HD2 TYR 6 HD2 TYR 6 1.475 -3.525 -8.224 34 HE1 TYR 6 HE1 TYR 6 0.947 -6.686 -11.957 35 HE2 TYR 6 HE2 TYR 6 -0.766 -4.333 -8.837 36 HH TYR 6 HH TYR 6 -1.859 -5.266 -11.001 37 H THR 7 H THR 7 6.089 -3.050 -8.218 38 HA THR 7 HA THR 7 8.349 -3.924 -9.714 39 HB THR 7 HB THR 7 9.438 -1.866 -8.566 40 HG1 THR 7 HG1 THR 7 6.733 -1.206 -8.037 41 HG21 THR 7 HG21 THR 7 8.156 -0.325 -10.056 42 HG22 THR 7 HG22 THR 7 7.028 -1.644 -10.370 43 HG23 THR 7 HG23 THR 7 8.716 -1.792 -10.858 44 H CYS 8 H CYS 8 7.582 -3.752 -6.276 45 HA CYS 8 HA CYS 8 10.091 -4.245 -5.196 46 HB2 CYS 8 HB2 CYS 8 7.293 -4.643 -4.305 47 HB3 CYS 8 HB3 CYS 8 8.521 -5.563 -3.442 48 H ARG 9 H ARG 9 7.759 -6.469 -6.596 49 HA ARG 9 HA ARG 9 8.745 -8.902 -5.747 50 HB2 ARG 9 HB2 ARG 9 7.201 -7.947 -8.063 51 HB3 ARG 9 HB3 ARG 9 8.061 -9.457 -8.332 52 HG2 ARG 9 HG2 ARG 9 6.187 -8.957 -6.030 53 HG3 ARG 9 HG3 ARG 9 5.733 -9.749 -7.540 54 HD2 ARG 9 HD2 ARG 9 7.883 -11.214 -6.903 55 HD3 ARG 9 HD3 ARG 9 7.371 -10.740 -5.284 56 HE ARG 9 HE ARG 9 5.599 -12.167 -5.478 57 HH11 ARG 9 HH11 ARG 9 6.867 -11.513 -8.653 58 HH12 ARG 9 HH12 ARG 9 5.849 -12.672 -9.441 59 HH21 ARG 9 HH21 ARG 9 4.253 -13.697 -6.504 60 HH22 ARG 9 HH22 ARG 9 4.362 -13.913 -8.218 61 H ALA 10 H ALA 10 9.978 -6.769 -8.251 62 HA ALA 10 HA ALA 10 11.755 -8.473 -9.536 63 HB1 ALA 10 HB1 ALA 10 11.144 -6.098 -10.161 64 HB2 ALA 10 HB2 ALA 10 12.342 -5.578 -8.974 65 HB3 ALA 10 HB3 ALA 10 12.838 -6.546 -10.362 66 H GLY 11 H GLY 11 12.331 -6.398 -6.696 67 HA2 GLY 11 HA2 GLY 11 13.858 -8.100 -5.213 68 HA3 GLY 11 HA3 GLY 11 15.007 -7.394 -6.340 69 H GLN 12 H GLN 12 12.301 -6.205 -4.339 70 HA GLN 12 HA GLN 12 14.127 -4.365 -3.010 71 HB2 GLN 12 HB2 GLN 12 11.577 -3.321 -4.229 72 HB3 GLN 12 HB3 GLN 12 12.891 -2.399 -3.511 73 HG2 GLN 12 HG2 GLN 12 14.332 -3.366 -5.402 74 HG3 GLN 12 HG3 GLN 12 12.796 -3.778 -6.163 75 HE21 GLN 12 HE21 GLN 12 11.404 -2.113 -6.813 76 HE22 GLN 12 HE22 GLN 12 11.972 -0.499 -7.047 77 H THR 13 H THR 13 12.862 -3.080 -1.285 78 HA THR 13 HA THR 13 10.862 -4.866 -0.058 79 HB THR 13 HB THR 13 12.547 -3.117 1.671 80 HG1 THR 13 HG1 THR 13 13.420 -5.491 0.376 81 HG21 THR 13 HG21 THR 13 11.220 -4.249 3.095 82 HG22 THR 13 HG22 THR 13 12.352 -5.577 2.836 83 HG23 THR 13 HG23 THR 13 10.853 -5.501 1.910 84 H CYS 14 H CYS 14 9.278 -3.855 1.305 85 HA CYS 14 HA CYS 14 8.367 -1.347 0.237 86 HB2 CYS 14 HB2 CYS 14 6.796 -3.169 0.785 87 HB3 CYS 14 HB3 CYS 14 7.235 -3.027 2.484 88 H CYS 15 H CYS 15 8.773 0.612 1.012 89 HA CYS 15 HA CYS 15 9.279 0.990 3.857 90 HB2 CYS 15 HB2 CYS 15 11.297 2.412 3.317 91 HB3 CYS 15 HB3 CYS 15 11.518 0.679 3.095 92 H ARG 16 H ARG 16 9.694 3.476 4.216 93 HA ARG 16 HA ARG 16 7.411 4.810 3.032 94 HB2 ARG 16 HB2 ARG 16 7.652 5.079 5.392 95 HB3 ARG 16 HB3 ARG 16 9.333 5.568 5.230 96 HG2 ARG 16 HG2 ARG 16 8.797 7.702 4.853 97 HG3 ARG 16 HG3 ARG 16 7.471 7.276 3.769 98 HD2 ARG 16 HD2 ARG 16 7.333 7.071 6.772 99 HD3 ARG 16 HD3 ARG 16 6.773 8.467 5.852 100 HE ARG 16 HE ARG 16 5.510 6.273 4.758 101 HH11 ARG 16 HH11 ARG 16 5.664 7.832 7.867 102 HH12 ARG 16 HH12 ARG 16 4.062 7.361 8.328 103 HH21 ARG 16 HH21 ARG 16 3.399 5.646 5.354 104 HH22 ARG 16 HH22 ARG 16 2.775 6.116 6.899 105 H GLY 17 H GLY 17 7.718 5.652 1.062 106 HA2 GLY 17 HA2 GLY 17 10.284 6.704 0.249 107 HA3 GLY 17 HA3 GLY 17 8.822 6.643 -0.725 108 H LEU 18 H LEU 18 9.048 8.752 -1.469 109 HA LEU 18 HA LEU 18 9.401 10.973 0.278 110 HB2 LEU 18 HB2 LEU 18 8.274 10.991 -2.514 111 HB3 LEU 18 HB3 LEU 18 9.005 12.343 -1.652 112 HG LEU 18 HG LEU 18 10.555 9.870 -2.380 113 HD11 LEU 18 HD11 LEU 18 9.518 11.007 -4.383 114 HD12 LEU 18 HD12 LEU 18 11.277 10.889 -4.383 115 HD13 LEU 18 HD13 LEU 18 10.496 12.417 -3.976 116 HD21 LEU 18 HD21 LEU 18 11.630 11.157 -0.701 117 HD22 LEU 18 HD22 LEU 18 11.284 12.668 -1.543 118 HD23 LEU 18 HD23 LEU 18 12.442 11.525 -2.223 119 H HIS 19 H HIS 19 6.594 10.063 -1.732 120 HA HIS 19 HA HIS 19 4.788 11.812 -0.493 121 HB2 HIS 19 HB2 HIS 19 4.438 10.698 -2.701 122 HB3 HIS 19 HB3 HIS 19 4.131 9.189 -1.848 123 HD1 HIS 19 HD1 HIS 19 2.457 12.128 -3.130 124 HD2 HIS 19 HD2 HIS 19 1.776 9.393 -0.078 125 HE1 HIS 19 HE1 HIS 19 0.028 12.380 -2.531 126 H GLY 20 H GLY 20 5.099 8.278 -0.069 127 HA2 GLY 20 HA2 GLY 20 4.632 8.509 2.764 128 HA3 GLY 20 HA3 GLY 20 3.268 7.825 1.892 129 H TYR 21 H TYR 21 4.374 6.209 0.055 130 HA TYR 21 HA TYR 21 6.147 4.403 1.553 131 HB2 TYR 21 HB2 TYR 21 4.608 2.656 0.126 132 HB3 TYR 21 HB3 TYR 21 4.354 3.060 1.820 133 HD1 TYR 21 HD1 TYR 21 3.074 3.374 -1.564 134 HD2 TYR 21 HD2 TYR 21 2.596 4.677 2.458 135 HE1 TYR 21 HE1 TYR 21 0.825 4.209 -2.108 136 HE2 TYR 21 HE2 TYR 21 0.345 5.514 1.925 137 HH TYR 21 HH TYR 21 -1.422 4.640 -0.470 138 H GLY 22 H GLY 22 6.748 2.491 -0.083 139 HA2 GLY 22 HA2 GLY 22 6.920 2.651 -2.765 140 HA3 GLY 22 HA3 GLY 22 8.123 3.827 -2.255 141 H CYS 23 H CYS 23 8.917 1.711 -3.759 142 HA CYS 23 HA CYS 23 9.959 -0.337 -1.970 143 HB2 CYS 23 HB2 CYS 23 10.078 0.001 -4.970 144 HB3 CYS 23 HB3 CYS 23 10.866 -1.317 -4.109 145 H CYS 24 H CYS 24 11.965 -0.363 -1.184 146 HA CYS 24 HA CYS 24 13.738 1.839 -1.777 147 HB2 CYS 24 HB2 CYS 24 13.716 -0.396 0.220 148 HB3 CYS 24 HB3 CYS 24 15.207 0.493 -0.071 Start of MODEL 13 1 H1 CYS 1 H CYS 1 1.842 -0.025 1.146 2 HA CYS 1 HA CYS 1 2.044 0.569 -1.564 3 HB2 CYS 1 HB2 CYS 1 4.145 -0.816 -1.486 4 HB3 CYS 1 HB3 CYS 1 4.035 0.425 -0.243 5 H ALA 2 H ALA 2 -0.155 -0.607 -1.954 6 HA ALA 2 HA ALA 2 -0.085 -3.435 -2.320 7 HB1 ALA 2 HB1 ALA 2 -2.251 -3.198 -3.318 8 HB2 ALA 2 HB2 ALA 2 -2.160 -2.121 -1.924 9 HB3 ALA 2 HB3 ALA 2 -2.004 -1.468 -3.555 10 H ASP 3 H ASP 3 -0.061 -0.704 -4.611 11 HA ASP 3 HA ASP 3 0.391 -2.347 -6.889 12 HB2 ASP 3 HB2 ASP 3 0.813 0.624 -6.502 13 HB3 ASP 3 HB3 ASP 3 0.853 -0.207 -8.054 14 H ALA 4 H ALA 4 2.481 -0.565 -4.693 15 HA ALA 4 HA ALA 4 4.868 -0.574 -6.072 16 HB1 ALA 4 HB1 ALA 4 5.314 -1.239 -3.300 17 HB2 ALA 4 HB2 ALA 4 5.653 0.260 -4.167 18 HB3 ALA 4 HB3 ALA 4 4.057 -0.013 -3.468 19 H VAL 5 H VAL 5 3.253 -3.222 -4.452 20 HA VAL 5 HA VAL 5 5.274 -5.063 -4.145 21 HB VAL 5 HB VAL 5 2.459 -5.629 -5.088 22 HG11 VAL 5 HG11 VAL 5 3.559 -7.628 -5.454 23 HG12 VAL 5 HG12 VAL 5 4.673 -7.383 -4.107 24 HG13 VAL 5 HG13 VAL 5 2.993 -7.821 -3.795 25 HG21 VAL 5 HG21 VAL 5 2.182 -6.167 -2.601 26 HG22 VAL 5 HG22 VAL 5 3.670 -5.250 -2.366 27 HG23 VAL 5 HG23 VAL 5 2.252 -4.467 -3.064 28 H TYR 6 H TYR 6 3.599 -4.122 -7.087 29 HA TYR 6 HA TYR 6 4.336 -6.145 -8.810 30 HB2 TYR 6 HB2 TYR 6 3.752 -3.242 -9.148 31 HB3 TYR 6 HB3 TYR 6 4.468 -4.099 -10.509 32 HD1 TYR 6 HD1 TYR 6 3.267 -6.107 -11.446 33 HD2 TYR 6 HD2 TYR 6 1.461 -3.479 -8.628 34 HE1 TYR 6 HE1 TYR 6 1.049 -6.960 -12.081 35 HE2 TYR 6 HE2 TYR 6 -0.762 -4.326 -9.254 36 HH TYR 6 HH TYR 6 -1.258 -7.122 -10.932 37 H THR 7 H THR 7 6.078 -3.048 -8.471 38 HA THR 7 HA THR 7 8.380 -4.005 -9.849 39 HB THR 7 HB THR 7 9.396 -1.864 -8.661 40 HG1 THR 7 HG1 THR 7 7.334 -1.788 -7.357 41 HG21 THR 7 HG21 THR 7 7.306 -1.094 -10.594 42 HG22 THR 7 HG22 THR 7 8.391 -2.382 -11.117 43 HG23 THR 7 HG23 THR 7 9.047 -0.817 -10.635 44 H CYS 8 H CYS 8 7.522 -3.620 -6.448 45 HA CYS 8 HA CYS 8 9.996 -4.043 -5.270 46 HB2 CYS 8 HB2 CYS 8 7.172 -4.450 -4.434 47 HB3 CYS 8 HB3 CYS 8 8.413 -5.243 -3.469 48 H ARG 9 H ARG 9 7.715 -6.358 -6.605 49 HA ARG 9 HA ARG 9 8.684 -8.732 -5.588 50 HB2 ARG 9 HB2 ARG 9 7.359 -7.972 -8.154 51 HB3 ARG 9 HB3 ARG 9 8.023 -9.593 -8.001 52 HG2 ARG 9 HG2 ARG 9 6.132 -8.447 -5.974 53 HG3 ARG 9 HG3 ARG 9 5.574 -9.285 -7.423 54 HD2 ARG 9 HD2 ARG 9 7.059 -11.210 -6.713 55 HD3 ARG 9 HD3 ARG 9 7.239 -10.378 -5.169 56 HE ARG 9 HE ARG 9 4.505 -10.772 -5.964 57 HH11 ARG 9 HH11 ARG 9 7.249 -12.170 -4.343 58 HH12 ARG 9 HH12 ARG 9 6.295 -13.243 -3.373 59 HH21 ARG 9 HH21 ARG 9 3.237 -12.179 -4.693 60 HH22 ARG 9 HH22 ARG 9 4.013 -13.247 -3.573 61 H ALA 10 H ALA 10 9.982 -6.739 -8.173 62 HA ALA 10 HA ALA 10 11.802 -8.505 -9.308 63 HB1 ALA 10 HB1 ALA 10 11.233 -6.225 -10.150 64 HB2 ALA 10 HB2 ALA 10 12.275 -5.559 -8.891 65 HB3 ALA 10 HB3 ALA 10 12.959 -6.590 -10.148 66 H GLY 11 H GLY 11 12.359 -6.198 -6.641 67 HA2 GLY 11 HA2 GLY 11 13.836 -7.838 -5.003 68 HA3 GLY 11 HA3 GLY 11 15.003 -7.168 -6.133 69 H GLN 12 H GLN 12 12.234 -5.947 -4.239 70 HA GLN 12 HA GLN 12 13.995 -4.001 -2.973 71 HB2 GLN 12 HB2 GLN 12 11.439 -3.081 -4.277 72 HB3 GLN 12 HB3 GLN 12 12.718 -2.093 -3.583 73 HG2 GLN 12 HG2 GLN 12 14.228 -3.007 -5.389 74 HG3 GLN 12 HG3 GLN 12 12.774 -3.664 -6.139 75 HE21 GLN 12 HE21 GLN 12 11.367 -2.313 -7.172 76 HE22 GLN 12 HE22 GLN 12 11.692 -0.641 -7.461 77 H THR 13 H THR 13 12.764 -2.731 -1.271 78 HA THR 13 HA THR 13 10.780 -4.500 0.004 79 HB THR 13 HB THR 13 12.357 -2.575 1.646 80 HG1 THR 13 HG1 THR 13 13.360 -5.007 0.560 81 HG21 THR 13 HG21 THR 13 11.032 -3.691 3.095 82 HG22 THR 13 HG22 THR 13 12.275 -4.937 2.976 83 HG23 THR 13 HG23 THR 13 10.811 -5.055 2.000 84 H CYS 14 H CYS 14 9.132 -3.489 1.288 85 HA CYS 14 HA CYS 14 8.138 -1.074 0.074 86 HB2 CYS 14 HB2 CYS 14 6.593 -2.886 0.609 87 HB3 CYS 14 HB3 CYS 14 7.026 -2.779 2.312 88 H CYS 15 H CYS 15 9.009 0.804 0.674 89 HA CYS 15 HA CYS 15 9.336 1.314 3.558 90 HB2 CYS 15 HB2 CYS 15 10.999 2.581 1.379 91 HB3 CYS 15 HB3 CYS 15 11.266 2.660 3.117 92 H ARG 16 H ARG 16 9.332 3.716 4.055 93 HA ARG 16 HA ARG 16 6.980 4.874 2.811 94 HB2 ARG 16 HB2 ARG 16 8.633 5.923 5.113 95 HB3 ARG 16 HB3 ARG 16 7.036 6.480 4.632 96 HG2 ARG 16 HG2 ARG 16 6.205 4.152 5.118 97 HG3 ARG 16 HG3 ARG 16 7.780 3.837 5.849 98 HD2 ARG 16 HD2 ARG 16 6.090 6.177 6.674 99 HD3 ARG 16 HD3 ARG 16 5.873 4.579 7.388 100 HE ARG 16 HE ARG 16 7.965 6.434 7.945 101 HH11 ARG 16 HH11 ARG 16 7.204 3.043 7.753 102 HH12 ARG 16 HH12 ARG 16 8.433 2.570 8.880 103 HH21 ARG 16 HH21 ARG 16 9.586 5.825 9.430 104 HH22 ARG 16 HH22 ARG 16 9.786 4.153 9.834 105 H GLY 17 H GLY 17 7.518 5.711 0.845 106 HA2 GLY 17 HA2 GLY 17 9.926 7.153 0.350 107 HA3 GLY 17 HA3 GLY 17 8.529 7.070 -0.714 108 H LEU 18 H LEU 18 8.254 9.165 -1.259 109 HA LEU 18 HA LEU 18 8.362 11.239 0.768 110 HB2 LEU 18 HB2 LEU 18 7.737 11.414 -2.176 111 HB3 LEU 18 HB3 LEU 18 7.999 12.780 -1.094 112 HG LEU 18 HG LEU 18 10.101 10.709 -1.713 113 HD11 LEU 18 HD11 LEU 18 9.492 11.867 -3.760 114 HD12 LEU 18 HD12 LEU 18 11.080 12.389 -3.202 115 HD13 LEU 18 HD13 LEU 18 9.674 13.424 -2.954 116 HD21 LEU 18 HD21 LEU 18 11.222 13.162 -0.988 117 HD22 LEU 18 HD22 LEU 18 11.168 11.684 -0.027 118 HD23 LEU 18 HD23 LEU 18 9.899 12.897 0.148 119 H HIS 19 H HIS 19 5.974 10.351 -1.733 120 HA HIS 19 HA HIS 19 3.846 11.793 -0.637 121 HB2 HIS 19 HB2 HIS 19 2.403 10.227 -1.998 122 HB3 HIS 19 HB3 HIS 19 3.674 11.051 -2.897 123 HD1 HIS 19 HD1 HIS 19 5.831 9.559 -3.454 124 HD2 HIS 19 HD2 HIS 19 2.474 7.497 -2.134 125 HE1 HIS 19 HE1 HIS 19 6.228 7.156 -4.081 126 H GLY 20 H GLY 20 4.950 8.496 -0.048 127 HA2 GLY 20 HA2 GLY 20 3.941 8.356 2.548 128 HA3 GLY 20 HA3 GLY 20 2.730 7.652 1.487 129 H TYR 21 H TYR 21 4.136 6.276 -0.339 130 HA TYR 21 HA TYR 21 5.886 4.481 1.198 131 HB2 TYR 21 HB2 TYR 21 4.635 2.761 -0.522 132 HB3 TYR 21 HB3 TYR 21 4.194 2.990 1.166 133 HD1 TYR 21 HD1 TYR 21 3.210 3.517 -2.289 134 HD2 TYR 21 HD2 TYR 21 2.265 4.420 1.760 135 HE1 TYR 21 HE1 TYR 21 0.963 4.238 -2.981 136 HE2 TYR 21 HE2 TYR 21 0.015 5.142 1.080 137 HH TYR 21 HH TYR 21 -1.556 4.515 -1.041 138 H GLY 22 H GLY 22 6.792 2.756 -0.509 139 HA2 GLY 22 HA2 GLY 22 7.217 3.200 -3.145 140 HA3 GLY 22 HA3 GLY 22 8.307 4.350 -2.384 141 H CYS 23 H CYS 23 8.555 1.695 -3.959 142 HA CYS 23 HA CYS 23 9.760 -0.195 -2.252 143 HB2 CYS 23 HB2 CYS 23 10.020 0.298 -5.219 144 HB3 CYS 23 HB3 CYS 23 10.801 -1.052 -4.401 145 H CYS 24 H CYS 24 11.736 -0.334 -1.391 146 HA CYS 24 HA CYS 24 13.525 1.890 -1.587 147 HB2 CYS 24 HB2 CYS 24 13.375 -0.620 -0.014 148 HB3 CYS 24 HB3 CYS 24 14.980 0.067 -0.242 Start of MODEL 14 1 H1 CYS 1 H CYS 1 1.256 1.602 -0.803 2 HA CYS 1 HA CYS 1 3.139 0.723 -2.869 3 HB2 CYS 1 HB2 CYS 1 3.710 0.973 -0.342 4 HB3 CYS 1 HB3 CYS 1 2.858 -0.557 -0.167 5 H ALA 2 H ALA 2 0.327 0.413 -3.307 6 HA ALA 2 HA ALA 2 -0.363 -2.336 -2.788 7 HB1 ALA 2 HB1 ALA 2 -2.262 -1.052 -2.834 8 HB2 ALA 2 HB2 ALA 2 -1.678 -0.038 -4.154 9 HB3 ALA 2 HB3 ALA 2 -2.251 -1.672 -4.485 10 H ASP 3 H ASP 3 0.326 -0.435 -5.725 11 HA ASP 3 HA ASP 3 0.519 -2.843 -7.320 12 HB2 ASP 3 HB2 ASP 3 1.055 0.040 -8.066 13 HB3 ASP 3 HB3 ASP 3 0.949 -1.311 -9.191 14 H ALA 4 H ALA 4 2.664 -0.486 -5.861 15 HA ALA 4 HA ALA 4 5.038 -0.973 -7.164 16 HB1 ALA 4 HB1 ALA 4 4.757 -0.547 -4.193 17 HB2 ALA 4 HB2 ALA 4 6.167 -0.190 -5.192 18 HB3 ALA 4 HB3 ALA 4 4.681 0.736 -5.402 19 H VAL 5 H VAL 5 3.385 -2.967 -4.814 20 HA VAL 5 HA VAL 5 5.367 -4.664 -3.950 21 HB VAL 5 HB VAL 5 2.985 -4.742 -3.220 22 HG11 VAL 5 HG11 VAL 5 1.313 -5.806 -4.472 23 HG12 VAL 5 HG12 VAL 5 2.139 -4.763 -5.631 24 HG13 VAL 5 HG13 VAL 5 2.476 -6.495 -5.604 25 HG21 VAL 5 HG21 VAL 5 3.384 -6.754 -2.337 26 HG22 VAL 5 HG22 VAL 5 3.398 -7.538 -3.917 27 HG23 VAL 5 HG23 VAL 5 4.858 -6.761 -3.305 28 H TYR 6 H TYR 6 3.798 -4.562 -7.077 29 HA TYR 6 HA TYR 6 4.635 -7.075 -8.036 30 HB2 TYR 6 HB2 TYR 6 3.605 -4.564 -9.243 31 HB3 TYR 6 HB3 TYR 6 4.460 -5.667 -10.315 32 HD1 TYR 6 HD1 TYR 6 3.510 -7.796 -10.924 33 HD2 TYR 6 HD2 TYR 6 1.502 -5.241 -8.177 34 HE1 TYR 6 HE1 TYR 6 1.472 -9.153 -11.160 35 HE2 TYR 6 HE2 TYR 6 -0.541 -6.592 -8.405 36 HH TYR 6 HH TYR 6 -1.253 -8.752 -9.081 37 H THR 7 H THR 7 6.017 -3.834 -8.580 38 HA THR 7 HA THR 7 8.307 -4.783 -9.955 39 HB THR 7 HB THR 7 8.347 -2.184 -8.469 40 HG1 THR 7 HG1 THR 7 6.490 -1.715 -9.383 41 HG21 THR 7 HG21 THR 7 9.357 -1.457 -10.663 42 HG22 THR 7 HG22 THR 7 9.328 -3.152 -11.151 43 HG23 THR 7 HG23 THR 7 10.292 -2.650 -9.762 44 H CYS 8 H CYS 8 7.645 -4.030 -6.578 45 HA CYS 8 HA CYS 8 10.328 -4.229 -5.677 46 HB2 CYS 8 HB2 CYS 8 7.746 -4.597 -4.144 47 HB3 CYS 8 HB3 CYS 8 9.337 -4.371 -3.425 48 H ARG 9 H ARG 9 7.735 -6.545 -6.125 49 HA ARG 9 HA ARG 9 8.632 -8.693 -4.649 50 HB2 ARG 9 HB2 ARG 9 7.008 -8.375 -7.106 51 HB3 ARG 9 HB3 ARG 9 7.666 -9.979 -6.812 52 HG2 ARG 9 HG2 ARG 9 6.481 -10.232 -4.819 53 HG3 ARG 9 HG3 ARG 9 6.162 -8.501 -4.686 54 HD2 ARG 9 HD2 ARG 9 4.134 -9.119 -5.475 55 HD3 ARG 9 HD3 ARG 9 4.959 -8.988 -7.028 56 HE ARG 9 HE ARG 9 5.118 -11.598 -5.818 57 HH11 ARG 9 HH11 ARG 9 3.285 -9.489 -7.895 58 HH12 ARG 9 HH12 ARG 9 2.493 -10.784 -8.729 59 HH21 ARG 9 HH21 ARG 9 4.081 -13.312 -6.909 60 HH22 ARG 9 HH22 ARG 9 2.945 -12.958 -8.167 61 H ALA 10 H ALA 10 9.870 -7.425 -7.653 62 HA ALA 10 HA ALA 10 11.348 -9.578 -8.592 63 HB1 ALA 10 HB1 ALA 10 12.910 -7.730 -9.483 64 HB2 ALA 10 HB2 ALA 10 11.232 -7.754 -10.028 65 HB3 ALA 10 HB3 ALA 10 11.739 -6.614 -8.781 66 H GLY 11 H GLY 11 12.426 -6.983 -6.389 67 HA2 GLY 11 HA2 GLY 11 13.878 -8.615 -4.670 68 HA3 GLY 11 HA3 GLY 11 14.990 -8.108 -5.933 69 H GLN 12 H GLN 12 12.381 -6.457 -4.151 70 HA GLN 12 HA GLN 12 14.351 -4.587 -3.072 71 HB2 GLN 12 HB2 GLN 12 11.865 -3.684 -4.536 72 HB3 GLN 12 HB3 GLN 12 13.043 -2.643 -3.748 73 HG2 GLN 12 HG2 GLN 12 13.876 -2.456 -5.818 74 HG3 GLN 12 HG3 GLN 12 14.657 -3.987 -5.425 75 HE21 GLN 12 HE21 GLN 12 13.780 -2.832 -8.000 76 HE22 GLN 12 HE22 GLN 12 12.747 -4.022 -8.707 77 H THR 13 H THR 13 13.122 -2.956 -1.578 78 HA THR 13 HA THR 13 11.067 -4.441 -0.075 79 HB THR 13 HB THR 13 12.000 -3.611 2.016 80 HG1 THR 13 HG1 THR 13 13.662 -2.192 0.259 81 HG21 THR 13 HG21 THR 13 13.255 -5.488 0.293 82 HG22 THR 13 HG22 THR 13 13.244 -5.457 2.057 83 HG23 THR 13 HG23 THR 13 14.520 -4.626 1.167 84 H CYS 14 H CYS 14 9.357 -3.290 0.712 85 HA CYS 14 HA CYS 14 8.956 -0.654 -0.403 86 HB2 CYS 14 HB2 CYS 14 7.157 -2.371 -0.398 87 HB3 CYS 14 HB3 CYS 14 7.121 -2.290 1.360 88 H CYS 15 H CYS 15 9.033 1.244 0.645 89 HA CYS 15 HA CYS 15 9.158 1.254 3.573 90 HB2 CYS 15 HB2 CYS 15 11.086 2.854 1.888 91 HB3 CYS 15 HB3 CYS 15 11.102 2.643 3.636 92 H ARG 16 H ARG 16 9.251 3.694 4.306 93 HA ARG 16 HA ARG 16 6.925 4.939 3.102 94 HB2 ARG 16 HB2 ARG 16 7.143 6.538 5.023 95 HB3 ARG 16 HB3 ARG 16 6.937 4.855 5.491 96 HG2 ARG 16 HG2 ARG 16 9.722 5.405 5.264 97 HG3 ARG 16 HG3 ARG 16 8.968 6.650 6.261 98 HD2 ARG 16 HD2 ARG 16 8.301 3.779 6.733 99 HD3 ARG 16 HD3 ARG 16 9.826 4.425 7.337 100 HE ARG 16 HE ARG 16 7.912 6.197 8.179 101 HH11 ARG 16 HH11 ARG 16 8.500 2.787 8.560 102 HH12 ARG 16 HH12 ARG 16 7.750 2.699 10.119 103 HH21 ARG 16 HH21 ARG 16 6.922 6.094 10.232 104 HH22 ARG 16 HH22 ARG 16 6.852 4.580 11.069 105 H GLY 17 H GLY 17 7.335 6.063 1.290 106 HA2 GLY 17 HA2 GLY 17 9.801 7.438 0.828 107 HA3 GLY 17 HA3 GLY 17 8.364 7.510 -0.181 108 H LEU 18 H LEU 18 8.329 9.697 -0.507 109 HA LEU 18 HA LEU 18 8.462 11.506 1.757 110 HB2 LEU 18 HB2 LEU 18 8.219 13.270 0.048 111 HB3 LEU 18 HB3 LEU 18 9.577 12.187 -0.251 112 HG LEU 18 HG LEU 18 7.652 11.020 -1.763 113 HD11 LEU 18 HD11 LEU 18 7.076 13.574 -2.838 114 HD12 LEU 18 HD12 LEU 18 6.638 13.598 -1.131 115 HD13 LEU 18 HD13 LEU 18 5.954 12.373 -2.198 116 HD21 LEU 18 HD21 LEU 18 8.743 12.142 -3.673 117 HD22 LEU 18 HD22 LEU 18 9.898 11.506 -2.502 118 HD23 LEU 18 HD23 LEU 18 9.544 13.234 -2.544 119 H HIS 19 H HIS 19 6.092 10.538 -0.703 120 HA HIS 19 HA HIS 19 3.999 12.150 0.397 121 HB2 HIS 19 HB2 HIS 19 2.541 10.839 -1.170 122 HB3 HIS 19 HB3 HIS 19 3.908 11.635 -1.946 123 HD1 HIS 19 HD1 HIS 19 5.868 10.086 -2.752 124 HD2 HIS 19 HD2 HIS 19 2.512 8.079 -1.349 125 HE1 HIS 19 HE1 HIS 19 6.134 7.708 -3.526 126 H GLY 20 H GLY 20 5.021 8.800 0.713 127 HA2 GLY 20 HA2 GLY 20 3.920 8.412 3.232 128 HA3 GLY 20 HA3 GLY 20 2.711 7.873 2.077 129 H TYR 21 H TYR 21 4.111 6.644 0.144 130 HA TYR 21 HA TYR 21 5.749 4.625 1.521 131 HB2 TYR 21 HB2 TYR 21 4.454 3.198 -0.457 132 HB3 TYR 21 HB3 TYR 21 4.058 3.171 1.258 133 HD1 TYR 21 HD1 TYR 21 3.006 4.232 -2.047 134 HD2 TYR 21 HD2 TYR 21 2.201 4.576 2.117 135 HE1 TYR 21 HE1 TYR 21 0.768 5.115 -2.558 136 HE2 TYR 21 HE2 TYR 21 -0.039 5.459 1.617 137 HH TYR 21 HH TYR 21 -1.541 5.876 0.024 138 H GLY 22 H GLY 22 6.665 3.069 -0.321 139 HA2 GLY 22 HA2 GLY 22 7.204 3.587 -2.865 140 HA3 GLY 22 HA3 GLY 22 8.148 4.852 -2.092 141 H CYS 23 H CYS 23 8.537 2.045 -3.537 142 HA CYS 23 HA CYS 23 9.937 0.363 -1.826 143 HB2 CYS 23 HB2 CYS 23 9.381 0.454 -4.560 144 HB3 CYS 23 HB3 CYS 23 11.139 0.450 -4.468 145 H CYS 24 H CYS 24 11.825 0.504 -0.809 146 HA CYS 24 HA CYS 24 13.360 2.816 -0.713 147 HB2 CYS 24 HB2 CYS 24 13.690 0.020 0.211 148 HB3 CYS 24 HB3 CYS 24 15.163 0.977 0.094 Start of MODEL 15 1 H1 CYS 1 H CYS 1 2.473 1.096 0.641 2 HA CYS 1 HA CYS 1 2.436 1.104 -2.114 3 HB2 CYS 1 HB2 CYS 1 4.522 -0.322 -1.940 4 HB3 CYS 1 HB3 CYS 1 4.540 1.169 -1.004 5 H ALA 2 H ALA 2 0.270 -0.041 -2.288 6 HA ALA 2 HA ALA 2 0.299 -2.914 -2.086 7 HB1 ALA 2 HB1 ALA 2 -1.678 -0.927 -2.243 8 HB2 ALA 2 HB2 ALA 2 -1.876 -1.936 -3.676 9 HB3 ALA 2 HB3 ALA 2 -1.906 -2.668 -2.071 10 H ASP 3 H ASP 3 0.568 -0.510 -4.647 11 HA ASP 3 HA ASP 3 0.623 -2.523 -6.727 12 HB2 ASP 3 HB2 ASP 3 0.879 0.477 -6.706 13 HB3 ASP 3 HB3 ASP 3 1.212 -0.462 -8.159 14 H ALA 4 H ALA 4 2.892 -0.520 -4.954 15 HA ALA 4 HA ALA 4 5.169 -0.731 -6.487 16 HB1 ALA 4 HB1 ALA 4 5.820 -1.104 -3.704 17 HB2 ALA 4 HB2 ALA 4 6.097 0.292 -4.747 18 HB3 ALA 4 HB3 ALA 4 4.559 0.114 -3.902 19 H VAL 5 H VAL 5 3.648 -3.159 -4.481 20 HA VAL 5 HA VAL 5 5.661 -4.997 -4.120 21 HB VAL 5 HB VAL 5 3.977 -6.721 -3.998 22 HG11 VAL 5 HG11 VAL 5 2.989 -5.916 -2.137 23 HG12 VAL 5 HG12 VAL 5 4.048 -4.533 -2.422 24 HG13 VAL 5 HG13 VAL 5 2.368 -4.484 -2.957 25 HG21 VAL 5 HG21 VAL 5 2.461 -4.852 -5.728 26 HG22 VAL 5 HG22 VAL 5 2.541 -6.614 -5.759 27 HG23 VAL 5 HG23 VAL 5 1.541 -5.798 -4.557 28 H TYR 6 H TYR 6 3.892 -4.250 -7.042 29 HA TYR 6 HA TYR 6 4.399 -6.463 -8.607 30 HB2 TYR 6 HB2 TYR 6 3.975 -3.573 -9.162 31 HB3 TYR 6 HB3 TYR 6 4.615 -4.557 -10.474 32 HD1 TYR 6 HD1 TYR 6 3.200 -5.948 -11.735 33 HD2 TYR 6 HD2 TYR 6 1.786 -4.272 -8.088 34 HE1 TYR 6 HE1 TYR 6 0.928 -6.730 -12.263 35 HE2 TYR 6 HE2 TYR 6 -0.489 -5.051 -8.606 36 HH TYR 6 HH TYR 6 -1.141 -7.206 -11.235 37 H THR 7 H THR 7 6.374 -3.490 -8.618 38 HA THR 7 HA THR 7 8.547 -4.801 -9.950 39 HB THR 7 HB THR 7 8.027 -2.367 -10.221 40 HG1 THR 7 HG1 THR 7 10.539 -3.420 -9.599 41 HG21 THR 7 HG21 THR 7 8.760 -0.796 -8.528 42 HG22 THR 7 HG22 THR 7 9.291 -2.119 -7.489 43 HG23 THR 7 HG23 THR 7 7.575 -1.900 -7.832 44 H CYS 8 H CYS 8 7.775 -3.928 -6.640 45 HA CYS 8 HA CYS 8 10.286 -4.254 -5.468 46 HB2 CYS 8 HB2 CYS 8 7.484 -4.269 -4.537 47 HB3 CYS 8 HB3 CYS 8 8.624 -5.117 -3.497 48 H ARG 9 H ARG 9 7.842 -6.618 -6.360 49 HA ARG 9 HA ARG 9 8.811 -8.845 -5.002 50 HB2 ARG 9 HB2 ARG 9 6.987 -8.326 -7.196 51 HB3 ARG 9 HB3 ARG 9 7.889 -9.813 -7.455 52 HG2 ARG 9 HG2 ARG 9 6.929 -10.872 -5.681 53 HG3 ARG 9 HG3 ARG 9 6.672 -9.373 -4.785 54 HD2 ARG 9 HD2 ARG 9 4.621 -9.109 -5.628 55 HD3 ARG 9 HD3 ARG 9 5.167 -9.456 -7.268 56 HE ARG 9 HE ARG 9 3.961 -11.297 -5.410 57 HH11 ARG 9 HH11 ARG 9 5.942 -10.953 -8.252 58 HH12 ARG 9 HH12 ARG 9 5.599 -12.545 -8.843 59 HH21 ARG 9 HH21 ARG 9 3.501 -13.395 -6.178 60 HH22 ARG 9 HH22 ARG 9 4.210 -13.933 -7.663 61 H ALA 10 H ALA 10 9.864 -7.377 -8.014 62 HA ALA 10 HA ALA 10 11.469 -9.402 -9.032 63 HB1 ALA 10 HB1 ALA 10 12.330 -6.544 -9.206 64 HB2 ALA 10 HB2 ALA 10 12.399 -7.811 -10.431 65 HB3 ALA 10 HB3 ALA 10 10.852 -7.079 -10.005 66 H GLY 11 H GLY 11 12.160 -7.011 -6.528 67 HA2 GLY 11 HA2 GLY 11 13.885 -8.431 -5.004 68 HA3 GLY 11 HA3 GLY 11 14.923 -7.828 -6.288 69 H GLN 12 H GLN 12 12.392 -6.591 -4.098 70 HA GLN 12 HA GLN 12 14.183 -4.569 -3.096 71 HB2 GLN 12 HB2 GLN 12 12.911 -3.841 -5.354 72 HB3 GLN 12 HB3 GLN 12 11.685 -3.395 -4.174 73 HG2 GLN 12 HG2 GLN 12 13.174 -1.533 -4.749 74 HG3 GLN 12 HG3 GLN 12 13.235 -1.949 -3.037 75 HE21 GLN 12 HE21 GLN 12 15.127 -2.545 -2.147 76 HE22 GLN 12 HE22 GLN 12 16.618 -2.670 -3.011 77 H THR 13 H THR 13 12.996 -3.118 -1.496 78 HA THR 13 HA THR 13 10.960 -4.722 -0.091 79 HB THR 13 HB THR 13 12.587 -2.716 1.396 80 HG1 THR 13 HG1 THR 13 13.528 -5.256 0.517 81 HG21 THR 13 HG21 THR 13 11.027 -5.170 1.943 82 HG22 THR 13 HG22 THR 13 11.180 -3.690 2.888 83 HG23 THR 13 HG23 THR 13 12.455 -4.907 2.944 84 H CYS 14 H CYS 14 9.344 -3.565 1.111 85 HA CYS 14 HA CYS 14 8.432 -1.212 -0.288 86 HB2 CYS 14 HB2 CYS 14 7.247 -3.287 1.298 87 HB3 CYS 14 HB3 CYS 14 6.791 -1.722 1.965 88 H CYS 15 H CYS 15 9.210 0.721 0.220 89 HA CYS 15 HA CYS 15 9.840 1.297 3.037 90 HB2 CYS 15 HB2 CYS 15 11.043 2.171 0.455 91 HB3 CYS 15 HB3 CYS 15 11.051 3.319 1.790 92 H ARG 16 H ARG 16 9.702 3.805 3.429 93 HA ARG 16 HA ARG 16 6.943 4.532 2.826 94 HB2 ARG 16 HB2 ARG 16 8.964 5.609 4.792 95 HB3 ARG 16 HB3 ARG 16 7.389 6.349 4.535 96 HG2 ARG 16 HG2 ARG 16 6.251 4.490 5.399 97 HG3 ARG 16 HG3 ARG 16 7.680 3.461 5.286 98 HD2 ARG 16 HD2 ARG 16 7.487 5.872 7.082 99 HD3 ARG 16 HD3 ARG 16 7.103 4.232 7.602 100 HE ARG 16 HE ARG 16 9.699 4.400 6.438 101 HH11 ARG 16 HH11 ARG 16 7.891 5.013 9.349 102 HH12 ARG 16 HH12 ARG 16 9.264 4.849 10.392 103 HH21 ARG 16 HH21 ARG 16 11.515 4.182 7.801 104 HH22 ARG 16 HH22 ARG 16 11.325 4.377 9.511 105 H GLY 17 H GLY 17 7.285 5.115 0.614 106 HA2 GLY 17 HA2 GLY 17 9.136 6.944 -0.352 107 HA3 GLY 17 HA3 GLY 17 7.548 6.672 -1.053 108 H LEU 18 H LEU 18 8.349 9.119 -1.380 109 HA LEU 18 HA LEU 18 8.134 11.003 0.624 110 HB2 LEU 18 HB2 LEU 18 7.631 11.027 -2.307 111 HB3 LEU 18 HB3 LEU 18 7.115 12.422 -1.361 112 HG LEU 18 HG LEU 18 9.619 12.290 -0.494 113 HD11 LEU 18 HD11 LEU 18 10.961 11.793 -2.678 114 HD12 LEU 18 HD12 LEU 18 9.585 10.755 -3.051 115 HD13 LEU 18 HD13 LEU 18 10.524 10.481 -1.584 116 HD21 LEU 18 HD21 LEU 18 10.209 13.883 -2.323 117 HD22 LEU 18 HD22 LEU 18 8.691 14.248 -1.503 118 HD23 LEU 18 HD23 LEU 18 8.673 13.485 -3.094 119 H HIS 19 H HIS 19 5.505 10.148 -1.635 120 HA HIS 19 HA HIS 19 3.460 11.510 -0.373 121 HB2 HIS 19 HB2 HIS 19 3.356 8.914 -1.920 122 HB3 HIS 19 HB3 HIS 19 1.931 9.839 -1.454 123 HD1 HIS 19 HD1 HIS 19 2.246 12.542 -2.315 124 HD2 HIS 19 HD2 HIS 19 4.068 9.481 -4.452 125 HE1 HIS 19 HE1 HIS 19 2.687 13.489 -4.602 126 H GLY 20 H GLY 20 4.822 8.357 0.376 127 HA2 GLY 20 HA2 GLY 20 4.260 8.302 3.041 128 HA3 GLY 20 HA3 GLY 20 2.788 7.693 2.300 129 H TYR 21 H TYR 21 3.631 6.133 0.284 130 HA TYR 21 HA TYR 21 5.503 4.217 1.496 131 HB2 TYR 21 HB2 TYR 21 3.758 2.578 0.178 132 HB3 TYR 21 HB3 TYR 21 3.714 2.906 1.907 133 HD1 TYR 21 HD1 TYR 21 2.063 3.418 -1.289 134 HD2 TYR 21 HD2 TYR 21 2.094 4.537 2.816 135 HE1 TYR 21 HE1 TYR 21 -0.206 4.336 -1.528 136 HE2 TYR 21 HE2 TYR 21 -0.176 5.457 2.588 137 HH TYR 21 HH TYR 21 -2.220 4.904 0.853 138 H GLY 22 H GLY 22 6.244 2.549 -0.119 139 HA2 GLY 22 HA2 GLY 22 6.079 2.439 -2.769 140 HA3 GLY 22 HA3 GLY 22 6.972 3.940 -2.576 141 H CYS 23 H CYS 23 7.796 1.427 -3.834 142 HA CYS 23 HA CYS 23 9.488 -0.138 -2.318 143 HB2 CYS 23 HB2 CYS 23 9.722 0.767 -5.190 144 HB3 CYS 23 HB3 CYS 23 10.797 -0.428 -4.472 145 H CYS 24 H CYS 24 11.495 0.052 -1.481 146 HA CYS 24 HA CYS 24 12.563 2.506 -0.809 147 HB2 CYS 24 HB2 CYS 24 14.109 -0.072 -1.147 148 HB3 CYS 24 HB3 CYS 24 14.586 1.309 -0.164
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