NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
581104 | 2moa | 19932 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 61.430 -5.966 26.943 2 H2 GLY 1 HT2 GLY 1 61.069 -5.067 28.281 3 H3 GLY 1 HT3 GLY 1 62.573 -5.698 28.100 4 HA2 GLY 1 HA1 GLY 1 62.430 -3.286 27.632 5 HA3 GLY 1 HA2 GLY 1 63.128 -4.290 26.346 6 H1 81S 2 HN 81S 2 60.314 -2.351 27.305 7 H4 81S 2 HA 81S 2 59.175 -2.713 24.535 8 H5 81S 2 HB2 81S 2 57.802 -2.106 27.158 9 H6 81S 2 HB3 81S 2 57.010 -2.296 25.611 10 H7 81S 2 HG 81S 2 56.526 -4.212 26.794 11 H8 81S 2 HD2 81S 2 57.543 -4.293 24.322 12 H9 81S 2 HD3 81S 2 58.806 -5.227 25.087 13 H ALA 3 HN ALA 3 60.793 -0.459 26.220 14 HA ALA 3 HA ALA 3 59.417 1.906 26.260 15 HB1 ALA 3 HB1 ALA 3 61.631 3.004 26.157 16 HB2 ALA 3 HB2 ALA 3 62.350 1.513 25.512 17 HB3 ALA 3 HB3 ALA 3 61.680 1.547 27.163 18 H SER 4 HN SER 4 60.377 0.392 23.274 19 HA SER 4 HA SER 4 59.756 2.842 21.672 20 HB2 SER 4 HB2 SER 4 62.038 1.962 21.497 21 HB3 SER 4 HB3 SER 4 61.405 0.374 21.081 22 HG SER 4 HG SER 4 61.842 1.154 19.198 23 H ASP 5 HN ASP 5 58.107 0.283 22.846 24 HA ASP 5 HA ASP 5 56.407 -0.079 20.416 25 HB2 ASP 5 HB2 ASP 5 57.980 -1.977 20.770 26 HB3 ASP 5 HB3 ASP 5 57.287 -2.247 22.369 27 HA PRO 6 HA PRO 6 53.920 1.786 23.918 28 HB2 PRO 6 HB2 PRO 6 52.308 2.188 21.377 29 HB3 PRO 6 HB3 PRO 6 52.382 3.231 22.837 30 HG2 PRO 6 HG2 PRO 6 53.916 3.852 20.718 31 HG3 PRO 6 HG3 PRO 6 54.653 3.863 22.356 32 HD2 PRO 6 HD2 PRO 6 54.848 1.750 20.211 33 HD3 PRO 6 HD3 PRO 6 56.110 2.373 21.309 34 H ARG 7 HN ARG 7 52.713 -0.438 21.372 35 HA ARG 7 HA ARG 7 50.359 -1.385 22.739 36 HB2 ARG 7 HB2 ARG 7 52.080 -2.687 20.607 37 HB3 ARG 7 HB3 ARG 7 50.493 -3.268 21.087 38 HG2 ARG 7 HG2 ARG 7 51.015 -0.573 19.770 39 HG3 ARG 7 HG3 ARG 7 50.505 -2.040 18.967 40 HD2 ARG 7 HD2 ARG 7 48.512 -0.816 19.222 41 HD3 ARG 7 HD3 ARG 7 48.439 -2.059 20.465 42 HE ARG 7 HE ARG 7 48.489 -0.414 22.101 43 HH11 ARG 7 HH12 ARG 7 49.432 1.175 19.091 44 HH12 ARG 7 HH11 ARG 7 49.815 2.666 19.917 45 HH21 ARG 7 HH22 ARG 7 48.888 1.507 23.047 46 HH22 ARG 7 HH21 ARG 7 49.372 2.894 22.114 47 H CYS 8 HN CYS 8 53.554 -1.993 23.618 48 HA CYS 8 HA CYS 8 52.587 -4.129 25.498 49 HB2 CYS 8 HB2 CYS 8 54.198 -4.820 23.593 50 HB3 CYS 8 HB3 CYS 8 55.388 -3.827 24.389 51 H ALA 9 HN ALA 9 54.295 -1.080 25.039 52 HA ALA 9 HA ALA 9 55.840 -1.020 27.300 53 HB1 ALA 9 HB1 ALA 9 54.359 1.340 26.079 54 HB2 ALA 9 HB2 ALA 9 55.819 0.609 25.383 55 HB3 ALA 9 HB3 ALA 9 55.896 1.391 26.967 56 H TRP 10 HN TRP 10 52.348 -0.478 27.208 57 HA TRP 10 HA TRP 10 51.834 0.576 29.769 58 HB2 TRP 10 HB2 TRP 10 49.651 -0.537 29.538 59 HB3 TRP 10 HB3 TRP 10 50.125 0.305 28.075 60 HD1 TRP 10 HD1 TRP 10 50.348 -1.073 25.888 61 HE1 TRP 10 HE1 TRP 10 49.982 -3.519 25.216 62 HE3 TRP 10 HE3 TRP 10 49.667 -3.114 30.544 63 HZ2 TRP 10 HZ2 TRP 10 49.518 -6.043 26.519 64 HZ3 TRP 10 HZ3 TRP 10 49.276 -5.554 30.794 65 HH2 TRP 10 HH2 TRP 10 49.220 -7.029 28.799 66 H ARG 11 HN ARG 11 52.990 -2.688 28.992 67 HA ARG 11 HA ARG 11 52.380 -3.735 31.676 68 HB2 ARG 11 HB2 ARG 11 52.339 -5.059 29.465 69 HB3 ARG 11 HB3 ARG 11 54.102 -5.026 29.535 70 HG2 ARG 11 HG2 ARG 11 53.910 -6.120 31.859 71 HG3 ARG 11 HG3 ARG 11 52.172 -6.268 31.550 72 HD2 ARG 11 HD2 ARG 11 52.743 -7.583 29.473 73 HD3 ARG 11 HD3 ARG 11 54.449 -7.469 29.933 74 HE ARG 11 HE ARG 11 52.477 -8.684 31.828 75 HH11 ARG 11 HH11 ARG 11 55.425 -9.205 29.949 76 HH12 ARG 11 HH12 ARG 11 55.511 -10.881 30.448 77 HH21 ARG 11 HH22 ARG 11 52.721 -10.796 32.431 78 HH22 ARG 11 HH21 ARG 11 54.025 -11.736 31.748 79 H CYS 12 HN CYS 12 55.085 -2.240 30.069 80 HA CYS 12 HA CYS 12 57.030 -3.255 32.100 81 HB2 CYS 12 HB2 CYS 12 57.478 -2.269 29.279 82 HB3 CYS 12 HB3 CYS 12 58.689 -2.984 30.332 83 HN1 NH2 13 HN1 NH2 13 59.003 -1.953 32.534 84 HN2 NH2 13 HN2 NH2 13 58.805 -0.214 32.703 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 63.662 -5.179 28.021 2 H2 GLY 1 HT2 GLY 1 63.626 -4.892 26.401 3 H3 GLY 1 HT3 GLY 1 62.416 -5.758 27.112 4 HA2 GLY 1 HA1 GLY 1 61.757 -3.835 28.417 5 HA3 GLY 1 HA2 GLY 1 63.002 -2.902 27.560 6 H1 81S 2 HN 81S 2 60.408 -2.048 27.483 7 H4 81S 2 HA 81S 2 59.394 -2.802 24.733 8 H5 81S 2 HB2 81S 2 57.889 -1.969 27.224 9 H6 81S 2 HB3 81S 2 57.148 -2.338 25.689 10 H7 81S 2 HG 81S 2 56.690 -4.150 27.023 11 H8 81S 2 HD2 81S 2 57.789 -4.402 24.581 12 H9 81S 2 HD3 81S 2 59.012 -5.279 25.454 13 H ALA 3 HN ALA 3 60.792 -0.220 26.110 14 HA ALA 3 HA ALA 3 58.996 1.885 25.986 15 HB1 ALA 3 HB1 ALA 3 60.943 3.369 26.010 16 HB2 ALA 3 HB2 ALA 3 61.981 2.055 25.420 17 HB3 ALA 3 HB3 ALA 3 61.242 1.954 27.039 18 H SER 4 HN SER 4 60.748 0.568 23.173 19 HA SER 4 HA SER 4 59.822 2.728 21.381 20 HB2 SER 4 HB2 SER 4 61.433 0.208 20.891 21 HB3 SER 4 HB3 SER 4 60.855 1.262 19.598 22 HG SER 4 HG SER 4 62.690 1.830 21.667 23 H ASP 5 HN ASP 5 58.272 0.053 22.700 24 HA ASP 5 HA ASP 5 56.355 -0.172 20.420 25 HB2 ASP 5 HB2 ASP 5 57.762 -2.168 20.643 26 HB3 ASP 5 HB3 ASP 5 57.315 -2.317 22.342 27 HA PRO 6 HA PRO 6 54.131 1.835 24.056 28 HB2 PRO 6 HB2 PRO 6 52.506 2.343 21.541 29 HB3 PRO 6 HB3 PRO 6 52.609 3.349 23.024 30 HG2 PRO 6 HG2 PRO 6 54.167 3.971 20.926 31 HG3 PRO 6 HG3 PRO 6 54.905 3.913 22.563 32 HD2 PRO 6 HD2 PRO 6 55.038 1.877 20.352 33 HD3 PRO 6 HD3 PRO 6 56.309 2.398 21.494 34 H ARG 7 HN ARG 7 52.868 -0.337 21.524 35 HA ARG 7 HA ARG 7 50.458 -1.266 22.742 36 HB2 ARG 7 HB2 ARG 7 52.505 -2.587 20.924 37 HB3 ARG 7 HB3 ARG 7 50.965 -3.333 21.315 38 HG2 ARG 7 HG2 ARG 7 51.082 -0.572 20.019 39 HG3 ARG 7 HG3 ARG 7 51.198 -2.062 19.098 40 HD2 ARG 7 HD2 ARG 7 48.952 -1.567 18.954 41 HD3 ARG 7 HD3 ARG 7 49.017 -2.812 20.187 42 HE ARG 7 HE ARG 7 48.854 0.129 20.865 43 HH11 ARG 7 HH11 ARG 7 47.358 -3.077 21.269 44 HH12 ARG 7 HH12 ARG 7 46.067 -2.378 22.212 45 HH21 ARG 7 HH21 ARG 7 47.216 0.851 21.956 46 HH22 ARG 7 HH22 ARG 7 45.948 -0.207 22.557 47 H CYS 8 HN CYS 8 53.822 -2.235 23.476 48 HA CYS 8 HA CYS 8 52.770 -4.148 25.528 49 HB2 CYS 8 HB2 CYS 8 54.458 -4.884 23.739 50 HB3 CYS 8 HB3 CYS 8 55.614 -3.862 24.535 51 H ALA 9 HN ALA 9 54.537 -1.105 25.072 52 HA ALA 9 HA ALA 9 55.871 -0.901 27.437 53 HB1 ALA 9 HB1 ALA 9 55.783 0.818 25.584 54 HB2 ALA 9 HB2 ALA 9 55.584 1.557 27.183 55 HB3 ALA 9 HB3 ALA 9 54.158 1.296 26.163 56 H TRP 10 HN TRP 10 52.481 -0.460 26.887 57 HA TRP 10 HA TRP 10 50.881 -0.079 28.953 58 HB2 TRP 10 HB2 TRP 10 50.797 -1.385 26.652 59 HB3 TRP 10 HB3 TRP 10 51.057 -2.811 27.617 60 HD1 TRP 10 HD1 TRP 10 48.552 -0.659 26.198 61 HE1 TRP 10 HE1 TRP 10 46.179 -1.427 26.863 62 HE3 TRP 10 HE3 TRP 10 49.740 -3.728 30.134 63 HZ2 TRP 10 HZ2 TRP 10 44.964 -2.965 28.962 64 HZ3 TRP 10 HZ3 TRP 10 47.953 -4.831 31.445 65 HH2 TRP 10 HH2 TRP 10 45.562 -4.467 30.873 66 H ARG 11 HN ARG 11 53.051 -2.953 28.903 67 HA ARG 11 HA ARG 11 52.206 -3.869 31.609 68 HB2 ARG 11 HB2 ARG 11 52.189 -5.460 29.780 69 HB3 ARG 11 HB3 ARG 11 53.829 -5.022 29.299 70 HG2 ARG 11 HG2 ARG 11 54.739 -6.006 31.351 71 HG3 ARG 11 HG3 ARG 11 53.105 -6.442 31.893 72 HD2 ARG 11 HD2 ARG 11 52.841 -7.989 30.057 73 HD3 ARG 11 HD3 ARG 11 54.294 -7.373 29.248 74 HE ARG 11 HE ARG 11 55.391 -8.186 31.544 75 HH11 ARG 11 HH12 ARG 11 53.175 -10.014 29.485 76 HH12 ARG 11 HH11 ARG 11 53.799 -11.537 30.072 77 HH21 ARG 11 HH22 ARG 11 56.125 -10.159 32.215 78 HH22 ARG 11 HH21 ARG 11 55.387 -11.607 31.597 79 H CYS 12 HN CYS 12 54.896 -2.252 30.093 80 HA CYS 12 HA CYS 12 56.780 -3.136 32.222 81 HB2 CYS 12 HB2 CYS 12 57.252 -2.075 29.417 82 HB3 CYS 12 HB3 CYS 12 58.491 -2.608 30.549 83 HN1 NH2 13 HN1 NH2 13 55.063 -0.250 31.495 84 HN2 NH2 13 HN2 NH2 13 56.197 0.851 32.263 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 64.293 -3.104 26.019 2 H2 GLY 1 HT2 GLY 1 64.755 -2.447 27.453 3 H3 GLY 1 HT3 GLY 1 63.971 -1.525 26.338 4 HA2 GLY 1 HA1 GLY 1 62.823 -3.812 27.802 5 HA3 GLY 1 HA2 GLY 1 62.471 -2.103 28.111 6 H1 81S 2 HN 81S 2 60.469 -1.753 27.483 7 H4 81S 2 HA 81S 2 59.522 -2.665 24.764 8 H5 81S 2 HB2 81S 2 57.770 -1.926 27.106 9 H6 81S 2 HB3 81S 2 57.294 -2.634 25.601 10 H7 81S 2 HG 81S 2 57.006 -4.286 27.198 11 H8 81S 2 HD2 81S 2 59.557 -4.736 25.614 12 H9 81S 2 HD3 81S 2 58.692 -6.014 26.454 13 H ALA 3 HN ALA 3 60.546 0.092 26.372 14 HA ALA 3 HA ALA 3 58.565 1.971 26.019 15 HB1 ALA 3 HB1 ALA 3 61.582 2.376 25.760 16 HB2 ALA 3 HB2 ALA 3 60.640 2.359 27.268 17 HB3 ALA 3 HB3 ALA 3 60.393 3.654 26.089 18 H SER 4 HN SER 4 60.692 0.763 23.443 19 HA SER 4 HA SER 4 59.792 2.674 21.427 20 HB2 SER 4 HB2 SER 4 61.312 0.055 21.234 21 HB3 SER 4 HB3 SER 4 60.969 1.116 19.869 22 HG SER 4 HG SER 4 62.983 1.544 20.697 23 H ASP 5 HN ASP 5 58.307 -0.147 22.746 24 HA ASP 5 HA ASP 5 56.550 -0.549 20.363 25 HB2 ASP 5 HB2 ASP 5 58.036 -2.417 21.015 26 HB3 ASP 5 HB3 ASP 5 57.343 -2.422 22.631 27 HA PRO 6 HA PRO 6 54.304 1.848 23.700 28 HB2 PRO 6 HB2 PRO 6 52.157 2.645 22.059 29 HB3 PRO 6 HB3 PRO 6 53.678 3.538 22.321 30 HG2 PRO 6 HG2 PRO 6 52.987 1.637 20.069 31 HG3 PRO 6 HG3 PRO 6 53.784 3.243 19.970 32 HD2 PRO 6 HD2 PRO 6 55.260 1.021 19.871 33 HD3 PRO 6 HD3 PRO 6 55.816 2.381 20.892 34 H ARG 7 HN ARG 7 52.686 -0.404 21.438 35 HA ARG 7 HA ARG 7 50.378 -1.021 23.021 36 HB2 ARG 7 HB2 ARG 7 51.950 -2.712 21.038 37 HB3 ARG 7 HB3 ARG 7 50.340 -3.113 21.610 38 HG2 ARG 7 HG2 ARG 7 50.832 -0.466 20.179 39 HG3 ARG 7 HG3 ARG 7 50.678 -1.967 19.283 40 HD2 ARG 7 HD2 ARG 7 48.549 -0.876 19.321 41 HD3 ARG 7 HD3 ARG 7 48.467 -2.381 20.225 42 HE ARG 7 HE ARG 7 48.977 0.099 21.785 43 HH11 ARG 7 HH12 ARG 7 46.540 -2.304 21.020 44 HH12 ARG 7 HH11 ARG 7 45.282 -1.340 21.798 45 HH21 ARG 7 HH21 ARG 7 47.508 0.997 22.992 46 HH22 ARG 7 HH22 ARG 7 45.886 0.341 23.145 47 H CYS 8 HN CYS 8 53.676 -2.068 23.390 48 HA CYS 8 HA CYS 8 52.999 -4.217 25.327 49 HB2 CYS 8 HB2 CYS 8 54.621 -4.394 23.309 50 HB3 CYS 8 HB3 CYS 8 55.668 -3.308 24.172 51 H ALA 9 HN ALA 9 54.651 -1.061 25.052 52 HA ALA 9 HA ALA 9 55.976 -0.914 27.438 53 HB1 ALA 9 HB1 ALA 9 56.030 0.800 25.650 54 HB2 ALA 9 HB2 ALA 9 55.726 1.535 27.236 55 HB3 ALA 9 HB3 ALA 9 54.391 1.309 26.091 56 H TRP 10 HN TRP 10 52.539 -0.425 26.932 57 HA TRP 10 HA TRP 10 51.258 0.134 29.234 58 HB2 TRP 10 HB2 TRP 10 50.899 -1.650 26.915 59 HB3 TRP 10 HB3 TRP 10 50.136 -2.322 28.341 60 HD1 TRP 10 HD1 TRP 10 49.372 -0.052 25.636 61 HE1 TRP 10 HE1 TRP 10 47.321 1.438 26.205 62 HE3 TRP 10 HE3 TRP 10 49.168 -0.878 30.656 63 HZ2 TRP 10 HZ2 TRP 10 45.665 1.963 28.521 64 HZ3 TRP 10 HZ3 TRP 10 47.333 0.118 32.041 65 HH2 TRP 10 HH2 TRP 10 45.588 1.528 30.973 66 H ARG 11 HN ARG 11 52.785 -3.096 28.730 67 HA ARG 11 HA ARG 11 52.145 -3.816 31.570 68 HB2 ARG 11 HB2 ARG 11 51.167 -5.050 29.557 69 HB3 ARG 11 HB3 ARG 11 52.783 -5.698 29.269 70 HG2 ARG 11 HG2 ARG 11 52.737 -6.898 31.376 71 HG3 ARG 11 HG3 ARG 11 51.318 -5.987 31.935 72 HD2 ARG 11 HD2 ARG 11 49.941 -6.991 30.162 73 HD3 ARG 11 HD3 ARG 11 51.328 -7.887 29.543 74 HE ARG 11 HE ARG 11 49.786 -8.392 32.019 75 HH11 ARG 11 HH12 ARG 11 52.718 -9.293 30.248 76 HH12 ARG 11 HH11 ARG 11 52.858 -10.801 31.115 77 HH21 ARG 11 HH22 ARG 11 49.996 -10.386 32.988 78 HH22 ARG 11 HH21 ARG 11 51.419 -11.351 32.659 79 H CYS 12 HN CYS 12 54.538 -2.355 30.288 80 HA CYS 12 HA CYS 12 56.758 -4.183 30.592 81 HB2 CYS 12 HB2 CYS 12 56.546 -2.220 28.998 82 HB3 CYS 12 HB3 CYS 12 56.980 -1.188 30.353 83 HN1 NH2 13 HN1 NH2 13 58.362 -4.421 32.151 84 HN2 NH2 13 HN2 NH2 13 58.282 -3.629 33.712 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 63.398 -4.676 25.884 2 H2 GLY 1 HT2 GLY 1 62.225 -5.744 26.334 3 H3 GLY 1 HT3 GLY 1 63.479 -5.408 27.347 4 HA2 GLY 1 HA1 GLY 1 61.498 -4.288 28.102 5 HA3 GLY 1 HA2 GLY 1 62.739 -3.125 27.583 6 H1 81S 2 HN 81S 2 60.141 -2.201 27.638 7 H4 81S 2 HA 81S 2 59.027 -2.613 24.868 8 H5 81S 2 HB2 81S 2 57.466 -2.092 27.399 9 H6 81S 2 HB3 81S 2 56.840 -2.515 25.849 10 H7 81S 2 HG 81S 2 56.598 -4.382 27.285 11 H8 81S 2 HD2 81S 2 57.723 -4.390 24.738 12 H9 81S 2 HD3 81S 2 58.818 -5.428 25.606 13 H ALA 3 HN ALA 3 60.373 -0.199 26.665 14 HA ALA 3 HA ALA 3 58.757 2.023 26.548 15 HB1 ALA 3 HB1 ALA 3 61.004 1.929 27.565 16 HB2 ALA 3 HB2 ALA 3 60.848 3.337 26.501 17 HB3 ALA 3 HB3 ALA 3 61.748 1.908 25.952 18 H SER 4 HN SER 4 60.415 0.636 23.735 19 HA SER 4 HA SER 4 59.303 2.724 21.924 20 HB2 SER 4 HB2 SER 4 61.496 0.686 21.455 21 HB3 SER 4 HB3 SER 4 60.957 1.924 20.306 22 HG SER 4 HG SER 4 62.789 2.585 21.409 23 H ASP 5 HN ASP 5 57.943 0.103 23.068 24 HA ASP 5 HA ASP 5 56.763 -0.744 20.443 25 HB2 ASP 5 HB2 ASP 5 58.116 -2.506 21.606 26 HB3 ASP 5 HB3 ASP 5 56.995 -2.438 22.959 27 HA PRO 6 HA PRO 6 53.868 1.987 22.772 28 HB2 PRO 6 HB2 PRO 6 52.500 1.685 20.077 29 HB3 PRO 6 HB3 PRO 6 52.576 3.124 21.143 30 HG2 PRO 6 HG2 PRO 6 54.273 2.922 19.056 31 HG3 PRO 6 HG3 PRO 6 54.887 3.459 20.653 32 HD2 PRO 6 HD2 PRO 6 55.125 0.745 19.357 33 HD3 PRO 6 HD3 PRO 6 56.313 1.655 20.326 34 H ARG 7 HN ARG 7 52.987 -0.994 21.074 35 HA ARG 7 HA ARG 7 50.360 -1.284 22.358 36 HB2 ARG 7 HB2 ARG 7 52.100 -3.193 20.772 37 HB3 ARG 7 HB3 ARG 7 50.461 -3.555 21.325 38 HG2 ARG 7 HG2 ARG 7 49.494 -1.841 19.926 39 HG3 ARG 7 HG3 ARG 7 51.085 -1.192 19.507 40 HD2 ARG 7 HD2 ARG 7 50.358 -2.509 17.662 41 HD3 ARG 7 HD3 ARG 7 51.689 -3.343 18.432 42 HE ARG 7 HE ARG 7 50.001 -4.859 19.521 43 HH11 ARG 7 HH11 ARG 7 48.768 -3.111 16.684 44 HH12 ARG 7 HH12 ARG 7 47.804 -4.526 16.255 45 HH21 ARG 7 HH21 ARG 7 48.651 -6.430 18.898 46 HH22 ARG 7 HH22 ARG 7 47.743 -6.251 17.386 47 H CYS 8 HN CYS 8 53.636 -2.115 23.360 48 HA CYS 8 HA CYS 8 52.549 -3.939 25.479 49 HB2 CYS 8 HB2 CYS 8 54.190 -4.803 23.691 50 HB3 CYS 8 HB3 CYS 8 55.388 -3.762 24.435 51 H ALA 9 HN ALA 9 54.061 -0.852 24.943 52 HA ALA 9 HA ALA 9 55.751 -0.643 27.027 53 HB1 ALA 9 HB1 ALA 9 55.379 1.811 26.891 54 HB2 ALA 9 HB2 ALA 9 53.854 1.535 26.025 55 HB3 ALA 9 HB3 ALA 9 55.400 1.075 25.279 56 H TRP 10 HN TRP 10 52.219 -0.208 27.396 57 HA TRP 10 HA TRP 10 51.943 0.498 30.056 58 HB2 TRP 10 HB2 TRP 10 49.823 -0.603 29.976 59 HB3 TRP 10 HB3 TRP 10 50.121 0.176 28.435 60 HD1 TRP 10 HD1 TRP 10 50.387 -1.424 26.308 61 HE1 TRP 10 HE1 TRP 10 49.857 -3.880 25.860 62 HE3 TRP 10 HE3 TRP 10 49.748 -3.013 31.145 63 HZ2 TRP 10 HZ2 TRP 10 49.198 -6.236 27.386 64 HZ3 TRP 10 HZ3 TRP 10 49.183 -5.389 31.610 65 HH2 TRP 10 HH2 TRP 10 48.900 -7.001 29.740 66 H ARG 11 HN ARG 11 52.936 -2.689 28.888 67 HA ARG 11 HA ARG 11 52.472 -4.113 31.389 68 HB2 ARG 11 HB2 ARG 11 52.367 -5.019 29.001 69 HB3 ARG 11 HB3 ARG 11 54.132 -4.954 28.974 70 HG2 ARG 11 HG2 ARG 11 54.229 -6.584 30.837 71 HG3 ARG 11 HG3 ARG 11 52.452 -6.586 30.929 72 HD2 ARG 11 HD2 ARG 11 52.350 -7.394 28.577 73 HD3 ARG 11 HD3 ARG 11 54.121 -7.435 28.515 74 HE ARG 11 HE ARG 11 53.500 -9.018 30.709 75 HH11 ARG 11 HH12 ARG 11 52.717 -9.246 27.239 76 HH12 ARG 11 HH11 ARG 11 52.247 -10.922 27.454 77 HH21 ARG 11 HH22 ARG 11 53.173 -11.283 30.629 78 HH22 ARG 11 HH21 ARG 11 52.623 -11.971 29.114 79 H CYS 12 HN CYS 12 55.018 -2.196 30.113 80 HA CYS 12 HA CYS 12 56.851 -2.931 32.376 81 HB2 CYS 12 HB2 CYS 12 57.586 -2.198 29.527 82 HB3 CYS 12 HB3 CYS 12 58.713 -2.637 30.807 83 HN1 NH2 13 HN1 NH2 13 58.750 -0.821 31.793 84 HN2 NH2 13 HN2 NH2 13 57.943 0.698 32.125 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 62.164 -6.419 26.637 2 H2 GLY 1 HT2 GLY 1 63.529 -5.871 27.364 3 H3 GLY 1 HT3 GLY 1 63.250 -5.532 25.778 4 HA2 GLY 1 HA1 GLY 1 61.680 -4.538 28.063 5 HA3 GLY 1 HA2 GLY 1 62.801 -3.578 27.070 6 H1 81S 2 HN 81S 2 60.139 -2.903 27.477 7 H4 81S 2 HA 81S 2 58.875 -3.325 24.782 8 H5 81S 2 HB2 81S 2 57.263 -3.101 27.352 9 H6 81S 2 HB3 81S 2 56.737 -3.513 25.785 10 H7 81S 2 HG 81S 2 56.632 -5.439 27.214 11 H8 81S 2 HD2 81S 2 58.349 -5.395 24.769 12 H9 81S 2 HD3 81S 2 58.473 -6.815 25.744 13 H ALA 3 HN ALA 3 60.008 -0.958 26.929 14 HA ALA 3 HA ALA 3 58.124 1.080 26.901 15 HB1 ALA 3 HB1 ALA 3 60.056 2.576 27.265 16 HB2 ALA 3 HB2 ALA 3 61.161 1.301 26.709 17 HB3 ALA 3 HB3 ALA 3 60.212 1.080 28.200 18 H SER 4 HN SER 4 60.395 0.315 24.220 19 HA SER 4 HA SER 4 59.485 2.600 22.617 20 HB2 SER 4 HB2 SER 4 61.392 0.372 21.878 21 HB3 SER 4 HB3 SER 4 61.082 1.860 20.963 22 HG SER 4 HG SER 4 62.850 2.291 22.168 23 H ASP 5 HN ASP 5 57.823 -0.119 23.286 24 HA ASP 5 HA ASP 5 56.795 -0.545 20.514 25 HB2 ASP 5 HB2 ASP 5 57.844 -2.434 21.823 26 HB3 ASP 5 HB3 ASP 5 56.504 -2.338 22.953 27 HA PRO 6 HA PRO 6 53.624 2.202 22.327 28 HB2 PRO 6 HB2 PRO 6 52.326 1.467 19.681 29 HB3 PRO 6 HB3 PRO 6 52.329 3.051 20.523 30 HG2 PRO 6 HG2 PRO 6 54.078 2.621 18.527 31 HG3 PRO 6 HG3 PRO 6 54.660 3.374 20.050 32 HD2 PRO 6 HD2 PRO 6 54.935 0.501 19.142 33 HD3 PRO 6 HD3 PRO 6 56.126 1.560 19.953 34 H ARG 7 HN ARG 7 53.005 -1.048 21.186 35 HA ARG 7 HA ARG 7 50.345 -1.218 22.521 36 HB2 ARG 7 HB2 ARG 7 51.826 -3.067 20.631 37 HB3 ARG 7 HB3 ARG 7 50.204 -3.355 21.257 38 HG2 ARG 7 HG2 ARG 7 49.299 -1.457 20.099 39 HG3 ARG 7 HG3 ARG 7 50.909 -0.866 19.647 40 HD2 ARG 7 HD2 ARG 7 51.246 -3.021 18.353 41 HD3 ARG 7 HD3 ARG 7 49.546 -3.382 18.657 42 HE ARG 7 HE ARG 7 48.900 -1.658 17.178 43 HH11 ARG 7 HH12 ARG 7 52.364 -1.266 17.673 44 HH12 ARG 7 HH11 ARG 7 52.519 -0.256 16.260 45 HH21 ARG 7 HH21 ARG 7 49.169 -0.607 15.381 46 HH22 ARG 7 HH22 ARG 7 50.721 0.090 14.941 47 H CYS 8 HN CYS 8 53.617 -1.995 23.312 48 HA CYS 8 HA CYS 8 52.663 -3.880 25.448 49 HB2 CYS 8 HB2 CYS 8 54.144 -4.666 23.458 50 HB3 CYS 8 HB3 CYS 8 55.432 -3.834 24.249 51 H ALA 9 HN ALA 9 54.113 -0.821 24.834 52 HA ALA 9 HA ALA 9 55.812 -0.639 26.969 53 HB1 ALA 9 HB1 ALA 9 55.730 0.964 25.108 54 HB2 ALA 9 HB2 ALA 9 55.590 1.839 26.634 55 HB3 ALA 9 HB3 ALA 9 54.142 1.554 25.648 56 H TRP 10 HN TRP 10 52.418 -0.897 27.239 57 HA TRP 10 HA TRP 10 51.942 0.295 29.795 58 HB2 TRP 10 HB2 TRP 10 50.013 -1.064 29.855 59 HB3 TRP 10 HB3 TRP 10 50.210 -0.543 28.195 60 HD1 TRP 10 HD1 TRP 10 50.427 -2.409 26.376 61 HE1 TRP 10 HE1 TRP 10 50.187 -4.970 26.380 62 HE3 TRP 10 HE3 TRP 10 50.546 -3.236 31.431 63 HZ2 TRP 10 HZ2 TRP 10 50.043 -7.093 28.315 64 HZ3 TRP 10 HZ3 TRP 10 50.342 -5.547 32.329 65 HH2 TRP 10 HH2 TRP 10 50.099 -7.477 30.783 66 H ARG 11 HN ARG 11 53.437 -2.815 28.904 67 HA ARG 11 HA ARG 11 53.085 -3.976 31.554 68 HB2 ARG 11 HB2 ARG 11 52.993 -5.157 29.276 69 HB3 ARG 11 HB3 ARG 11 54.753 -5.073 29.249 70 HG2 ARG 11 HG2 ARG 11 54.808 -6.377 31.403 71 HG3 ARG 11 HG3 ARG 11 53.038 -6.420 31.386 72 HD2 ARG 11 HD2 ARG 11 53.190 -7.602 29.133 73 HD3 ARG 11 HD3 ARG 11 54.941 -7.725 29.400 74 HE ARG 11 HE ARG 11 53.132 -8.771 31.517 75 HH11 ARG 11 HH11 ARG 11 55.133 -9.828 28.738 76 HH12 ARG 11 HH12 ARG 11 54.877 -11.488 29.252 77 HH21 ARG 11 HH22 ARG 11 53.282 -10.897 32.117 78 HH22 ARG 11 HH21 ARG 11 53.940 -12.038 30.955 79 H CYS 12 HN CYS 12 55.785 -2.574 29.831 80 HA CYS 12 HA CYS 12 57.625 -3.161 32.139 81 HB2 CYS 12 HB2 CYS 12 58.379 -2.914 29.223 82 HB3 CYS 12 HB3 CYS 12 59.387 -3.487 30.542 83 HN1 NH2 13 HN1 NH2 13 59.068 -1.531 32.873 84 HN2 NH2 13 HN2 NH2 13 59.069 0.083 32.201 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 64.278 -4.728 26.589 2 H2 GLY 1 HT2 GLY 1 63.821 -3.535 25.557 3 H3 GLY 1 HT3 GLY 1 63.393 -5.109 25.258 4 HA2 GLY 1 HA1 GLY 1 62.059 -5.160 27.267 5 HA3 GLY 1 HA2 GLY 1 62.449 -3.440 27.489 6 H1 81S 2 HN 81S 2 60.424 -2.617 27.253 7 H4 81S 2 HA 81S 2 58.931 -3.163 24.690 8 H5 81S 2 HB2 81S 2 57.824 -2.297 27.386 9 H6 81S 2 HB3 81S 2 56.920 -2.746 25.971 10 H7 81S 2 HG 81S 2 56.681 -4.470 27.516 11 H8 81S 2 HD2 81S 2 57.605 -4.876 24.938 12 H9 81S 2 HD3 81S 2 58.685 -5.894 25.835 13 H ALA 3 HN ALA 3 60.662 -0.683 26.100 14 HA ALA 3 HA ALA 3 58.822 1.424 26.258 15 HB1 ALA 3 HB1 ALA 3 61.013 1.317 27.397 16 HB2 ALA 3 HB2 ALA 3 60.776 2.850 26.549 17 HB3 ALA 3 HB3 ALA 3 61.832 1.607 25.849 18 H SER 4 HN SER 4 60.550 0.384 23.352 19 HA SER 4 HA SER 4 59.610 2.756 21.838 20 HB2 SER 4 HB2 SER 4 61.401 0.459 21.001 21 HB3 SER 4 HB3 SER 4 60.961 1.861 20.003 22 HG SER 4 HG SER 4 62.487 1.784 22.397 23 H ASP 5 HN ASP 5 58.075 0.002 22.743 24 HA ASP 5 HA ASP 5 56.349 -0.064 20.293 25 HB2 ASP 5 HB2 ASP 5 57.540 -2.133 20.413 26 HB3 ASP 5 HB3 ASP 5 57.187 -2.320 22.137 27 HA PRO 6 HA PRO 6 53.974 1.812 23.766 28 HB2 PRO 6 HB2 PRO 6 52.177 2.307 21.395 29 HB3 PRO 6 HB3 PRO 6 52.533 3.382 22.787 30 HG2 PRO 6 HG2 PRO 6 53.777 3.787 20.428 31 HG3 PRO 6 HG3 PRO 6 54.721 3.856 21.952 32 HD2 PRO 6 HD2 PRO 6 54.508 1.582 19.966 33 HD3 PRO 6 HD3 PRO 6 55.950 2.221 20.813 34 H ARG 7 HN ARG 7 52.917 -0.589 21.414 35 HA ARG 7 HA ARG 7 50.471 -1.403 22.724 36 HB2 ARG 7 HB2 ARG 7 52.273 -2.742 20.678 37 HB3 ARG 7 HB3 ARG 7 50.774 -3.463 21.278 38 HG2 ARG 7 HG2 ARG 7 49.486 -1.489 20.508 39 HG3 ARG 7 HG3 ARG 7 50.970 -0.767 19.859 40 HD2 ARG 7 HD2 ARG 7 51.260 -2.708 18.346 41 HD3 ARG 7 HD3 ARG 7 49.817 -3.462 19.021 42 HE ARG 7 HE ARG 7 48.423 -1.884 17.922 43 HH11 ARG 7 HH11 ARG 7 51.767 -1.088 17.202 44 HH12 ARG 7 HH12 ARG 7 51.311 -0.212 15.764 45 HH21 ARG 7 HH22 ARG 7 47.924 -0.800 16.216 46 HH22 ARG 7 HH21 ARG 7 49.133 -0.023 15.192 47 H CYS 8 HN CYS 8 53.804 -2.115 23.592 48 HA CYS 8 HA CYS 8 52.635 -3.823 25.769 49 HB2 CYS 8 HB2 CYS 8 54.194 -4.978 24.083 50 HB3 CYS 8 HB3 CYS 8 55.475 -4.012 24.757 51 H ALA 9 HN ALA 9 54.377 -0.884 25.058 52 HA ALA 9 HA ALA 9 56.135 -0.730 27.107 53 HB1 ALA 9 HB1 ALA 9 55.869 0.931 25.277 54 HB2 ALA 9 HB2 ALA 9 55.990 1.726 26.854 55 HB3 ALA 9 HB3 ALA 9 54.406 1.568 26.070 56 H TRP 10 HN TRP 10 52.677 -0.118 27.458 57 HA TRP 10 HA TRP 10 52.500 0.831 30.123 58 HB2 TRP 10 HB2 TRP 10 50.174 0.068 29.922 59 HB3 TRP 10 HB3 TRP 10 50.695 0.917 28.478 60 HD1 TRP 10 HD1 TRP 10 50.724 -0.399 26.210 61 HE1 TRP 10 HE1 TRP 10 50.014 -2.764 25.461 62 HE3 TRP 10 HE3 TRP 10 49.754 -2.456 30.791 63 HZ2 TRP 10 HZ2 TRP 10 48.981 -5.156 26.677 64 HZ3 TRP 10 HZ3 TRP 10 48.887 -4.780 30.967 65 HH2 TRP 10 HH2 TRP 10 48.486 -6.128 28.927 66 H ARG 11 HN ARG 11 53.109 -2.461 28.975 67 HA ARG 11 HA ARG 11 52.448 -3.804 31.492 68 HB2 ARG 11 HB2 ARG 11 52.437 -4.806 29.128 69 HB3 ARG 11 HB3 ARG 11 54.207 -4.833 29.236 70 HG2 ARG 11 HG2 ARG 11 54.024 -6.226 31.306 71 HG3 ARG 11 HG3 ARG 11 52.264 -6.199 31.140 72 HD2 ARG 11 HD2 ARG 11 54.190 -7.360 29.083 73 HD3 ARG 11 HD3 ARG 11 53.395 -8.306 30.336 74 HE ARG 11 HE ARG 11 52.247 -7.459 27.827 75 HH11 ARG 11 HH12 ARG 11 51.255 -8.236 31.130 76 HH12 ARG 11 HH11 ARG 11 49.735 -8.873 30.563 77 HH21 ARG 11 HH22 ARG 11 50.400 -8.242 27.244 78 HH22 ARG 11 HH21 ARG 11 49.198 -8.816 28.398 79 H CYS 12 HN CYS 12 55.220 -2.211 30.150 80 HA CYS 12 HA CYS 12 56.949 -3.009 32.461 81 HB2 CYS 12 HB2 CYS 12 57.716 -2.300 29.614 82 HB3 CYS 12 HB3 CYS 12 58.838 -2.731 30.903 83 HN1 NH2 13 HN1 NH2 13 55.185 -0.849 32.889 84 HN2 NH2 13 HN2 NH2 13 56.107 0.631 32.866 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 64.238 -3.790 27.027 2 H2 GLY 1 HT2 GLY 1 63.543 -2.732 25.957 3 H3 GLY 1 HT3 GLY 1 63.447 -4.368 25.713 4 HA2 GLY 1 HA1 GLY 1 62.096 -4.661 27.644 5 HA3 GLY 1 HA2 GLY 1 62.200 -2.905 27.930 6 H1 81S 2 HN 81S 2 60.195 -2.135 27.505 7 H4 81S 2 HA 81S 2 59.004 -2.725 24.807 8 H5 81S 2 HB2 81S 2 57.476 -2.338 27.407 9 H6 81S 2 HB3 81S 2 56.798 -2.662 25.850 10 H7 81S 2 HG 81S 2 56.581 -4.601 27.130 11 H8 81S 2 HD2 81S 2 57.732 -4.460 24.592 12 H9 81S 2 HD3 81S 2 58.795 -5.568 25.416 13 H ALA 3 HN ALA 3 60.210 -0.226 26.652 14 HA ALA 3 HA ALA 3 58.360 1.834 26.573 15 HB1 ALA 3 HB1 ALA 3 60.329 3.358 26.539 16 HB2 ALA 3 HB2 ALA 3 61.369 1.989 26.085 17 HB3 ALA 3 HB3 ALA 3 60.533 2.005 27.657 18 H SER 4 HN SER 4 60.374 0.789 23.828 19 HA SER 4 HA SER 4 59.089 2.741 21.992 20 HB2 SER 4 HB2 SER 4 61.460 0.937 21.460 21 HB3 SER 4 HB3 SER 4 60.858 2.254 20.445 22 HG SER 4 HG SER 4 62.538 3.087 21.521 23 H ASP 5 HN ASP 5 57.886 0.103 23.072 24 HA ASP 5 HA ASP 5 56.902 -0.957 20.452 25 HB2 ASP 5 HB2 ASP 5 58.079 -2.631 21.833 26 HB3 ASP 5 HB3 ASP 5 56.960 -2.343 23.156 27 HA PRO 6 HA PRO 6 53.990 2.036 22.206 28 HB2 PRO 6 HB2 PRO 6 52.574 1.500 19.593 29 HB3 PRO 6 HB3 PRO 6 52.852 3.063 20.419 30 HG2 PRO 6 HG2 PRO 6 54.458 2.317 18.367 31 HG3 PRO 6 HG3 PRO 6 55.173 3.046 19.840 32 HD2 PRO 6 HD2 PRO 6 55.046 0.137 19.038 33 HD3 PRO 6 HD3 PRO 6 56.377 1.067 19.773 34 H ARG 7 HN ARG 7 53.018 -1.183 21.253 35 HA ARG 7 HA ARG 7 50.556 -0.961 22.962 36 HB2 ARG 7 HB2 ARG 7 51.061 -2.899 20.684 37 HB3 ARG 7 HB3 ARG 7 49.598 -2.805 21.648 38 HG2 ARG 7 HG2 ARG 7 50.550 -0.561 19.812 39 HG3 ARG 7 HG3 ARG 7 49.431 -1.835 19.357 40 HD2 ARG 7 HD2 ARG 7 48.144 0.111 19.874 41 HD3 ARG 7 HD3 ARG 7 47.844 -1.118 21.108 42 HE ARG 7 HE ARG 7 49.935 0.893 21.721 43 HH11 ARG 7 HH12 ARG 7 46.547 0.135 22.274 44 HH12 ARG 7 HH11 ARG 7 46.625 0.849 23.886 45 HH21 ARG 7 HH22 ARG 7 49.895 1.802 23.642 46 HH22 ARG 7 HH21 ARG 7 48.407 1.885 24.570 47 H CYS 8 HN CYS 8 53.600 -1.889 23.457 48 HA CYS 8 HA CYS 8 52.625 -3.918 25.448 49 HB2 CYS 8 HB2 CYS 8 54.213 -4.709 23.550 50 HB3 CYS 8 HB3 CYS 8 55.442 -3.772 24.367 51 H ALA 9 HN ALA 9 54.198 -0.836 24.933 52 HA ALA 9 HA ALA 9 55.922 -0.734 27.027 53 HB1 ALA 9 HB1 ALA 9 55.573 1.001 25.230 54 HB2 ALA 9 HB2 ALA 9 55.741 1.692 26.850 55 HB3 ALA 9 HB3 ALA 9 54.142 1.574 26.101 56 H TRP 10 HN TRP 10 52.425 -0.035 27.345 57 HA TRP 10 HA TRP 10 52.131 0.668 30.004 58 HB2 TRP 10 HB2 TRP 10 49.948 -0.420 29.862 59 HB3 TRP 10 HB3 TRP 10 50.303 0.428 28.375 60 HD1 TRP 10 HD1 TRP 10 50.616 -1.009 26.168 61 HE1 TRP 10 HE1 TRP 10 50.010 -3.415 25.521 62 HE3 TRP 10 HE3 TRP 10 49.714 -2.895 30.844 63 HZ2 TRP 10 HZ2 TRP 10 49.116 -5.816 26.851 64 HZ3 TRP 10 HZ3 TRP 10 48.955 -5.244 31.120 65 HH2 TRP 10 HH2 TRP 10 48.653 -6.710 29.139 66 H ARG 11 HN ARG 11 52.921 -2.601 28.833 67 HA ARG 11 HA ARG 11 52.354 -3.951 31.342 68 HB2 ARG 11 HB2 ARG 11 52.221 -4.876 28.947 69 HB3 ARG 11 HB3 ARG 11 53.986 -4.994 28.992 70 HG2 ARG 11 HG2 ARG 11 53.814 -6.495 30.978 71 HG3 ARG 11 HG3 ARG 11 52.049 -6.330 30.937 72 HD2 ARG 11 HD2 ARG 11 52.024 -7.364 28.672 73 HD3 ARG 11 HD3 ARG 11 53.792 -7.530 28.744 74 HE ARG 11 HE ARG 11 52.262 -8.738 30.979 75 HH11 ARG 11 HH11 ARG 11 53.894 -9.531 27.919 76 HH12 ARG 11 HH12 ARG 11 53.998 -11.207 28.398 77 HH21 ARG 11 HH21 ARG 11 52.466 -10.738 31.434 78 HH22 ARG 11 HH22 ARG 11 53.313 -11.880 30.396 79 H CYS 12 HN CYS 12 55.146 -2.300 30.096 80 HA CYS 12 HA CYS 12 56.850 -3.484 32.278 81 HB2 CYS 12 HB2 CYS 12 57.698 -2.524 29.542 82 HB3 CYS 12 HB3 CYS 12 58.760 -3.175 30.785 83 HN1 NH2 13 HN1 NH2 13 58.709 -2.135 32.983 84 HN2 NH2 13 HN2 NH2 13 58.487 -0.391 33.060 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 63.227 -4.940 26.228 2 H2 GLY 1 HT2 GLY 1 63.955 -4.419 27.610 3 H3 GLY 1 HT3 GLY 1 63.715 -3.368 26.355 4 HA2 GLY 1 HA1 GLY 1 61.623 -4.650 27.972 5 HA3 GLY 1 HA2 GLY 1 62.108 -2.940 28.057 6 H1 81S 2 HN 81S 2 60.004 -2.268 27.508 7 H4 81S 2 HA 81S 2 59.036 -2.887 24.720 8 H5 81S 2 HB2 81S 2 57.432 -2.537 27.281 9 H6 81S 2 HB3 81S 2 56.788 -2.848 25.703 10 H7 81S 2 HG 81S 2 56.591 -4.885 26.853 11 H8 81S 2 HD2 81S 2 58.931 -4.924 24.929 12 H9 81S 2 HD3 81S 2 58.568 -6.344 25.828 13 H ALA 3 HN ALA 3 60.093 -0.359 26.553 14 HA ALA 3 HA ALA 3 58.287 1.742 26.226 15 HB1 ALA 3 HB1 ALA 3 61.337 1.800 26.171 16 HB2 ALA 3 HB2 ALA 3 60.310 1.804 27.625 17 HB3 ALA 3 HB3 ALA 3 60.280 3.188 26.518 18 H SER 4 HN SER 4 60.500 0.477 23.738 19 HA SER 4 HA SER 4 59.920 2.616 21.815 20 HB2 SER 4 HB2 SER 4 61.385 -0.021 21.470 21 HB3 SER 4 HB3 SER 4 61.318 1.296 20.297 22 HG SER 4 HG SER 4 63.206 1.342 21.430 23 H ASP 5 HN ASP 5 57.961 0.074 22.821 24 HA ASP 5 HA ASP 5 56.830 -0.381 20.092 25 HB2 ASP 5 HB2 ASP 5 57.885 -2.342 21.075 26 HB3 ASP 5 HB3 ASP 5 56.838 -2.205 22.482 27 HA PRO 6 HA PRO 6 53.554 2.070 21.867 28 HB2 PRO 6 HB2 PRO 6 52.079 0.994 19.447 29 HB3 PRO 6 HB3 PRO 6 52.084 2.660 20.108 30 HG2 PRO 6 HG2 PRO 6 53.650 2.067 17.993 31 HG3 PRO 6 HG3 PRO 6 54.331 3.023 19.350 32 HD2 PRO 6 HD2 PRO 6 54.650 0.067 18.788 33 HD3 PRO 6 HD3 PRO 6 55.874 1.279 19.284 34 H ARG 7 HN ARG 7 53.240 -1.444 21.580 35 HA ARG 7 HA ARG 7 50.478 -1.307 22.766 36 HB2 ARG 7 HB2 ARG 7 51.512 -3.264 20.679 37 HB3 ARG 7 HB3 ARG 7 49.950 -3.356 21.479 38 HG2 ARG 7 HG2 ARG 7 50.891 -1.244 19.519 39 HG3 ARG 7 HG3 ARG 7 49.633 -2.445 19.315 40 HD2 ARG 7 HD2 ARG 7 49.571 0.055 21.022 41 HD3 ARG 7 HD3 ARG 7 48.564 -0.315 19.643 42 HE ARG 7 HE ARG 7 48.074 -0.983 22.386 43 HH11 ARG 7 HH12 ARG 7 47.375 -2.228 19.152 44 HH12 ARG 7 HH11 ARG 7 46.075 -3.231 19.780 45 HH21 ARG 7 HH22 ARG 7 46.400 -2.284 23.025 46 HH22 ARG 7 HH21 ARG 7 45.519 -3.216 21.824 47 H CYS 8 HN CYS 8 53.596 -2.179 23.411 48 HA CYS 8 HA CYS 8 52.546 -3.884 25.626 49 HB2 CYS 8 HB2 CYS 8 54.583 -5.112 25.608 50 HB3 CYS 8 HB3 CYS 8 53.670 -5.353 24.140 51 H ALA 9 HN ALA 9 54.267 -0.958 24.924 52 HA ALA 9 HA ALA 9 55.866 -0.637 27.187 53 HB1 ALA 9 HB1 ALA 9 55.661 0.959 25.306 54 HB2 ALA 9 HB2 ALA 9 55.421 1.766 26.864 55 HB3 ALA 9 HB3 ALA 9 54.021 1.387 25.834 56 H TRP 10 HN TRP 10 52.289 -0.523 27.093 57 HA TRP 10 HA TRP 10 51.668 0.503 29.611 58 HB2 TRP 10 HB2 TRP 10 49.621 -0.659 29.435 59 HB3 TRP 10 HB3 TRP 10 50.079 -0.205 27.808 60 HD1 TRP 10 HD1 TRP 10 50.521 -2.177 26.091 61 HE1 TRP 10 HE1 TRP 10 50.150 -4.724 26.130 62 HE3 TRP 10 HE3 TRP 10 49.620 -2.780 31.086 63 HZ2 TRP 10 HZ2 TRP 10 49.493 -6.747 28.083 64 HZ3 TRP 10 HZ3 TRP 10 49.117 -5.032 32.011 65 HH2 TRP 10 HH2 TRP 10 49.042 -7.015 30.519 66 H ARG 11 HN ARG 11 52.978 -2.703 28.890 67 HA ARG 11 HA ARG 11 52.324 -3.860 31.493 68 HB2 ARG 11 HB2 ARG 11 52.271 -4.933 29.165 69 HB3 ARG 11 HB3 ARG 11 54.025 -4.997 29.241 70 HG2 ARG 11 HG2 ARG 11 53.913 -6.509 31.179 71 HG3 ARG 11 HG3 ARG 11 52.141 -6.334 31.251 72 HD2 ARG 11 HD2 ARG 11 51.917 -7.313 29.022 73 HD3 ARG 11 HD3 ARG 11 53.678 -7.349 28.831 74 HE ARG 11 HE ARG 11 52.863 -8.897 31.137 75 HH11 ARG 11 HH12 ARG 11 52.906 -9.036 27.603 76 HH12 ARG 11 HH11 ARG 11 53.229 -10.768 27.620 77 HH21 ARG 11 HH22 ARG 11 53.101 -11.199 30.951 78 HH22 ARG 11 HH21 ARG 11 53.305 -11.875 29.338 79 H CYS 12 HN CYS 12 55.043 -2.188 30.228 80 HA CYS 12 HA CYS 12 56.895 -3.399 32.265 81 HB2 CYS 12 HB2 CYS 12 57.433 -2.380 29.464 82 HB3 CYS 12 HB3 CYS 12 58.643 -3.036 30.566 83 HN1 NH2 13 HN1 NH2 13 55.802 -0.255 30.930 84 HN2 NH2 13 HN2 NH2 13 56.811 0.689 32.003 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 63.146 -7.168 26.177 2 H2 GLY 1 HT2 GLY 1 62.849 -6.821 24.602 3 H3 GLY 1 HT3 GLY 1 61.657 -7.449 25.550 4 HA2 GLY 1 HA1 GLY 1 61.633 -5.492 26.921 5 HA3 GLY 1 HA2 GLY 1 62.893 -4.789 25.892 6 H1 81S 2 HN 81S 2 60.179 -3.921 26.533 7 H4 81S 2 HA 81S 2 59.040 -3.573 23.749 8 H5 81S 2 HB2 81S 2 57.439 -3.501 26.280 9 H6 81S 2 HB3 81S 2 56.835 -3.585 24.666 10 H7 81S 2 HG 81S 2 56.268 -5.612 25.689 11 H8 81S 2 HD2 81S 2 58.401 -5.632 23.624 12 H9 81S 2 HD3 81S 2 58.158 -7.160 24.429 13 H ALA 3 HN ALA 3 60.652 -1.977 25.905 14 HA ALA 3 HA ALA 3 59.151 -0.112 27.248 15 HB1 ALA 3 HB1 ALA 3 62.006 0.241 26.244 16 HB2 ALA 3 HB2 ALA 3 61.516 -0.698 27.673 17 HB3 ALA 3 HB3 ALA 3 61.266 1.052 27.640 18 H SER 4 HN SER 4 59.886 0.194 23.840 19 HA SER 4 HA SER 4 58.593 2.895 23.815 20 HB2 SER 4 HB2 SER 4 60.912 1.929 22.093 21 HB3 SER 4 HB3 SER 4 59.997 3.430 21.836 22 HG SER 4 HG SER 4 61.808 2.796 23.893 23 H ASP 5 HN ASP 5 57.749 -0.148 23.260 24 HA ASP 5 HA ASP 5 56.906 -0.021 20.494 25 HB2 ASP 5 HB2 ASP 5 57.714 -2.059 21.711 26 HB3 ASP 5 HB3 ASP 5 56.210 -2.072 22.603 27 HA PRO 6 HA PRO 6 53.091 2.104 21.372 28 HB2 PRO 6 HB2 PRO 6 52.145 0.756 18.840 29 HB3 PRO 6 HB3 PRO 6 51.950 2.465 19.336 30 HG2 PRO 6 HG2 PRO 6 53.878 1.794 17.572 31 HG3 PRO 6 HG3 PRO 6 54.254 2.923 18.915 32 HD2 PRO 6 HD2 PRO 6 54.849 -0.044 18.722 33 HD3 PRO 6 HD3 PRO 6 55.893 1.296 19.281 34 H ARG 7 HN ARG 7 53.076 -1.421 21.188 35 HA ARG 7 HA ARG 7 50.253 -1.490 22.236 36 HB2 ARG 7 HB2 ARG 7 51.571 -3.308 20.195 37 HB3 ARG 7 HB3 ARG 7 50.043 -3.667 20.989 38 HG2 ARG 7 HG2 ARG 7 50.555 -1.233 19.237 39 HG3 ARG 7 HG3 ARG 7 49.768 -2.707 18.704 40 HD2 ARG 7 HD2 ARG 7 48.710 -0.875 20.904 41 HD3 ARG 7 HD3 ARG 7 48.205 -0.857 19.232 42 HE ARG 7 HE ARG 7 47.841 -3.259 21.015 43 HH11 ARG 7 HH12 ARG 7 46.439 -1.118 18.593 44 HH12 ARG 7 HH11 ARG 7 44.973 -2.068 18.513 45 HH21 ARG 7 HH22 ARG 7 45.998 -4.307 20.922 46 HH22 ARG 7 HH21 ARG 7 44.717 -3.855 19.807 47 H CYS 8 HN CYS 8 53.424 -2.158 23.020 48 HA CYS 8 HA CYS 8 52.450 -3.933 25.185 49 HB2 CYS 8 HB2 CYS 8 54.293 -5.438 24.878 50 HB3 CYS 8 HB3 CYS 8 53.139 -5.481 23.577 51 H ALA 9 HN ALA 9 53.749 -1.021 24.852 52 HA ALA 9 HA ALA 9 55.845 -1.278 26.901 53 HB1 ALA 9 HB1 ALA 9 54.591 1.207 25.676 54 HB2 ALA 9 HB2 ALA 9 55.982 0.348 24.985 55 HB3 ALA 9 HB3 ALA 9 56.126 1.103 26.573 56 H TRP 10 HN TRP 10 52.527 -1.439 27.199 57 HA TRP 10 HA TRP 10 51.995 0.455 29.214 58 HB2 TRP 10 HB2 TRP 10 50.046 -1.114 29.765 59 HB3 TRP 10 HB3 TRP 10 50.134 -0.328 28.209 60 HD1 TRP 10 HD1 TRP 10 50.501 -1.782 26.054 61 HE1 TRP 10 HE1 TRP 10 49.997 -4.218 25.511 62 HE3 TRP 10 HE3 TRP 10 50.025 -3.553 30.829 63 HZ2 TRP 10 HZ2 TRP 10 49.357 -6.642 26.974 64 HZ3 TRP 10 HZ3 TRP 10 49.452 -5.936 31.224 65 HH2 TRP 10 HH2 TRP 10 49.128 -7.482 29.315 66 H ARG 11 HN ARG 11 52.912 -3.015 29.780 67 HA ARG 11 HA ARG 11 53.493 -2.264 32.627 68 HB2 ARG 11 HB2 ARG 11 52.723 -4.783 31.216 69 HB3 ARG 11 HB3 ARG 11 53.882 -4.971 32.525 70 HG2 ARG 11 HG2 ARG 11 51.250 -3.485 32.856 71 HG3 ARG 11 HG3 ARG 11 51.441 -5.220 33.138 72 HD2 ARG 11 HD2 ARG 11 53.128 -4.787 34.883 73 HD3 ARG 11 HD3 ARG 11 52.976 -3.038 34.617 74 HE ARG 11 HE ARG 11 50.385 -4.108 35.090 75 HH11 ARG 11 HH12 ARG 11 53.286 -3.704 37.079 76 HH12 ARG 11 HH11 ARG 11 52.319 -3.946 38.541 77 HH21 ARG 11 HH22 ARG 11 49.346 -3.655 36.892 78 HH22 ARG 11 HH21 ARG 11 50.170 -3.625 38.433 79 H CYS 12 HN CYS 12 55.210 -3.323 29.705 80 HA CYS 12 HA CYS 12 57.623 -4.020 31.094 81 HB2 CYS 12 HB2 CYS 12 57.220 -3.136 28.253 82 HB3 CYS 12 HB3 CYS 12 58.690 -3.873 28.888 83 HN1 NH2 13 HN1 NH2 13 59.603 -2.905 31.397 84 HN2 NH2 13 HN2 NH2 13 59.712 -1.152 31.255 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 63.539 -5.623 27.359 2 H2 GLY 1 HT2 GLY 1 63.485 -4.872 25.895 3 H3 GLY 1 HT3 GLY 1 62.348 -6.004 26.291 4 HA2 GLY 1 HA1 GLY 1 61.511 -4.601 28.059 5 HA3 GLY 1 HA2 GLY 1 62.703 -3.372 27.569 6 H1 81S 2 HN 81S 2 59.801 -3.065 27.593 7 H4 81S 2 HA 81S 2 59.034 -3.218 24.692 8 H5 81S 2 HB2 81S 2 57.231 -3.118 27.140 9 H6 81S 2 HB3 81S 2 56.741 -3.300 25.495 10 H7 81S 2 HG 81S 2 56.494 -5.405 26.594 11 H8 81S 2 HD2 81S 2 58.573 -5.204 24.426 12 H9 81S 2 HD3 81S 2 58.394 -6.711 25.242 13 H ALA 3 HN ALA 3 59.956 -0.925 26.836 14 HA ALA 3 HA ALA 3 58.412 1.274 26.900 15 HB1 ALA 3 HB1 ALA 3 61.370 1.193 26.134 16 HB2 ALA 3 HB2 ALA 3 60.736 1.059 27.780 17 HB3 ALA 3 HB3 ALA 3 60.523 2.568 26.880 18 H SER 4 HN SER 4 60.190 0.303 23.956 19 HA SER 4 HA SER 4 59.356 2.747 22.510 20 HB2 SER 4 HB2 SER 4 61.247 0.527 21.688 21 HB3 SER 4 HB3 SER 4 61.057 2.108 20.913 22 HG SER 4 HG SER 4 61.998 3.095 22.599 23 H ASP 5 HN ASP 5 57.768 -0.068 23.001 24 HA ASP 5 HA ASP 5 57.047 -0.584 20.174 25 HB2 ASP 5 HB2 ASP 5 57.935 -2.418 21.506 26 HB3 ASP 5 HB3 ASP 5 56.602 -2.254 22.641 27 HA PRO 6 HA PRO 6 53.305 1.780 20.808 28 HB2 PRO 6 HB2 PRO 6 52.340 -0.041 18.584 29 HB3 PRO 6 HB3 PRO 6 52.076 1.723 18.779 30 HG2 PRO 6 HG2 PRO 6 54.032 0.851 17.144 31 HG3 PRO 6 HG3 PRO 6 54.369 2.191 18.289 32 HD2 PRO 6 HD2 PRO 6 55.095 -0.737 18.540 33 HD3 PRO 6 HD3 PRO 6 56.047 0.728 18.952 34 H ARG 7 HN ARG 7 53.179 -1.724 21.306 35 HA ARG 7 HA ARG 7 50.400 -1.445 22.394 36 HB2 ARG 7 HB2 ARG 7 51.107 -2.725 19.924 37 HB3 ARG 7 HB3 ARG 7 50.690 -3.995 21.071 38 HG2 ARG 7 HG2 ARG 7 48.540 -2.868 21.558 39 HG3 ARG 7 HG3 ARG 7 48.960 -1.557 20.440 40 HD2 ARG 7 HD2 ARG 7 48.996 -3.127 18.562 41 HD3 ARG 7 HD3 ARG 7 48.722 -4.488 19.650 42 HE ARG 7 HE ARG 7 46.460 -3.812 19.999 43 HH11 ARG 7 HH12 ARG 7 47.988 -1.502 17.799 44 HH12 ARG 7 HH11 ARG 7 46.474 -1.130 17.039 45 HH21 ARG 7 HH21 ARG 7 44.573 -3.305 18.899 46 HH22 ARG 7 HH22 ARG 7 44.584 -1.926 17.830 47 H CYS 8 HN CYS 8 53.369 -2.094 23.355 48 HA CYS 8 HA CYS 8 52.311 -3.721 25.587 49 HB2 CYS 8 HB2 CYS 8 54.268 -5.176 25.561 50 HB3 CYS 8 HB3 CYS 8 53.226 -5.406 24.179 51 H ALA 9 HN ALA 9 53.893 -0.871 24.859 52 HA ALA 9 HA ALA 9 55.974 -0.812 26.832 53 HB1 ALA 9 HB1 ALA 9 55.733 0.792 24.931 54 HB2 ALA 9 HB2 ALA 9 55.886 1.598 26.501 55 HB3 ALA 9 HB3 ALA 9 54.300 1.477 25.724 56 H TRP 10 HN TRP 10 52.466 -0.327 27.080 57 HA TRP 10 HA TRP 10 52.259 0.665 29.720 58 HB2 TRP 10 HB2 TRP 10 50.048 -0.404 29.740 59 HB3 TRP 10 HB3 TRP 10 50.348 0.538 28.291 60 HD1 TRP 10 HD1 TRP 10 50.026 -0.621 26.035 61 HE1 TRP 10 HE1 TRP 10 49.381 -2.974 25.230 62 HE3 TRP 10 HE3 TRP 10 50.243 -3.126 30.515 63 HZ2 TRP 10 HZ2 TRP 10 49.228 -5.623 26.326 64 HZ3 TRP 10 HZ3 TRP 10 49.885 -5.575 30.589 65 HH2 TRP 10 HH2 TRP 10 49.419 -6.846 28.501 66 H ARG 11 HN ARG 11 53.157 -2.621 28.727 67 HA ARG 11 HA ARG 11 52.713 -3.803 31.360 68 HB2 ARG 11 HB2 ARG 11 52.718 -5.000 29.092 69 HB3 ARG 11 HB3 ARG 11 54.462 -4.876 29.110 70 HG2 ARG 11 HG2 ARG 11 52.660 -6.498 30.938 71 HG3 ARG 11 HG3 ARG 11 53.887 -7.059 29.811 72 HD2 ARG 11 HD2 ARG 11 55.561 -5.765 31.368 73 HD3 ARG 11 HD3 ARG 11 54.263 -5.832 32.557 74 HE ARG 11 HE ARG 11 55.948 -8.016 31.518 75 HH11 ARG 11 HH11 ARG 11 53.076 -7.425 33.531 76 HH12 ARG 11 HH12 ARG 11 53.542 -8.757 34.572 77 HH21 ARG 11 HH22 ARG 11 56.243 -9.703 32.702 78 HH22 ARG 11 HH21 ARG 11 55.052 -10.229 33.885 79 H CYS 12 HN CYS 12 55.668 -3.009 29.545 80 HA CYS 12 HA CYS 12 57.270 -3.649 31.923 81 HB2 CYS 12 HB2 CYS 12 58.133 -3.025 29.096 82 HB3 CYS 12 HB3 CYS 12 59.097 -3.804 30.342 83 HN1 NH2 13 HN1 NH2 13 56.448 -0.643 30.219 84 HN2 NH2 13 HN2 NH2 13 57.621 0.341 31.070 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 63.024 -6.456 26.485 2 H2 GLY 1 HT2 GLY 1 62.670 -6.000 24.944 3 H3 GLY 1 HT3 GLY 1 61.542 -6.791 25.847 4 HA2 GLY 1 HA1 GLY 1 61.416 -4.936 27.382 5 HA3 GLY 1 HA2 GLY 1 62.647 -4.111 26.406 6 H1 81S 2 HN 81S 2 59.945 -3.232 27.024 7 H4 81S 2 HA 81S 2 58.641 -3.250 24.308 8 H5 81S 2 HB2 81S 2 57.264 -3.098 27.007 9 H6 81S 2 HB3 81S 2 56.524 -3.258 25.451 10 H7 81S 2 HG 81S 2 56.274 -5.340 26.530 11 H8 81S 2 HD2 81S 2 58.320 -5.376 24.326 12 H9 81S 2 HD3 81S 2 58.050 -6.831 25.233 13 H ALA 3 HN ALA 3 60.149 -1.172 26.453 14 HA ALA 3 HA ALA 3 58.529 0.930 26.997 15 HB1 ALA 3 HB1 ALA 3 60.592 2.280 27.117 16 HB2 ALA 3 HB2 ALA 3 61.449 1.073 26.134 17 HB3 ALA 3 HB3 ALA 3 60.854 0.647 27.757 18 H SER 4 HN SER 4 60.104 0.546 23.785 19 HA SER 4 HA SER 4 58.570 2.914 22.772 20 HB2 SER 4 HB2 SER 4 61.155 1.656 21.826 21 HB3 SER 4 HB3 SER 4 60.262 2.911 20.936 22 HG SER 4 HG SER 4 61.812 3.850 22.170 23 H ASP 5 HN ASP 5 57.785 -0.069 23.091 24 HA ASP 5 HA ASP 5 57.296 -0.874 20.320 25 HB2 ASP 5 HB2 ASP 5 58.067 -2.452 22.092 26 HB3 ASP 5 HB3 ASP 5 56.484 -2.284 22.859 27 HA PRO 6 HA PRO 6 53.317 1.228 20.305 28 HB2 PRO 6 HB2 PRO 6 52.855 -0.821 18.120 29 HB3 PRO 6 HB3 PRO 6 52.381 0.908 18.149 30 HG2 PRO 6 HG2 PRO 6 54.616 0.183 16.835 31 HG3 PRO 6 HG3 PRO 6 54.676 1.607 17.931 32 HD2 PRO 6 HD2 PRO 6 55.615 -1.224 18.465 33 HD3 PRO 6 HD3 PRO 6 56.391 0.342 18.879 34 H ARG 7 HN ARG 7 53.573 -2.234 20.987 35 HA ARG 7 HA ARG 7 50.612 -2.543 21.293 36 HB2 ARG 7 HB2 ARG 7 52.936 -4.512 21.306 37 HB3 ARG 7 HB3 ARG 7 51.252 -4.954 21.405 38 HG2 ARG 7 HG2 ARG 7 52.455 -3.496 19.003 39 HG3 ARG 7 HG3 ARG 7 52.401 -5.245 19.155 40 HD2 ARG 7 HD2 ARG 7 49.950 -3.442 19.114 41 HD3 ARG 7 HD3 ARG 7 50.582 -4.373 17.745 42 HE ARG 7 HE ARG 7 50.015 -5.934 20.181 43 HH11 ARG 7 HH11 ARG 7 48.639 -5.079 17.031 44 HH12 ARG 7 HH12 ARG 7 47.493 -6.395 17.158 45 HH21 ARG 7 HH22 ARG 7 48.658 -7.432 20.233 46 HH22 ARG 7 HH21 ARG 7 47.306 -7.541 19.115 47 H CYS 8 HN CYS 8 53.526 -2.461 23.198 48 HA CYS 8 HA CYS 8 52.130 -3.585 25.603 49 HB2 CYS 8 HB2 CYS 8 54.180 -5.046 25.754 50 HB3 CYS 8 HB3 CYS 8 53.039 -5.423 24.482 51 H ALA 9 HN ALA 9 53.983 -0.914 24.750 52 HA ALA 9 HA ALA 9 55.972 -0.765 26.708 53 HB1 ALA 9 HB1 ALA 9 55.611 0.798 24.777 54 HB2 ALA 9 HB2 ALA 9 55.826 1.657 26.317 55 HB3 ALA 9 HB3 ALA 9 54.201 1.477 25.623 56 H TRP 10 HN TRP 10 52.529 -0.138 27.199 57 HA TRP 10 HA TRP 10 52.543 0.996 29.801 58 HB2 TRP 10 HB2 TRP 10 50.230 0.104 29.843 59 HB3 TRP 10 HB3 TRP 10 50.603 0.948 28.351 60 HD1 TRP 10 HD1 TRP 10 50.418 -0.398 26.105 61 HE1 TRP 10 HE1 TRP 10 49.705 -2.771 25.459 62 HE3 TRP 10 HE3 TRP 10 50.075 -2.428 30.798 63 HZ2 TRP 10 HZ2 TRP 10 49.049 -5.242 26.822 64 HZ3 TRP 10 HZ3 TRP 10 49.384 -4.787 31.093 65 HH2 TRP 10 HH2 TRP 10 48.889 -6.211 29.122 66 H ARG 11 HN ARG 11 53.241 -2.320 28.828 67 HA ARG 11 HA ARG 11 52.607 -3.455 31.464 68 HB2 ARG 11 HB2 ARG 11 52.199 -4.481 29.116 69 HB3 ARG 11 HB3 ARG 11 53.901 -4.910 29.116 70 HG2 ARG 11 HG2 ARG 11 52.159 -5.649 31.488 71 HG3 ARG 11 HG3 ARG 11 51.983 -6.545 29.991 72 HD2 ARG 11 HD2 ARG 11 54.152 -7.433 30.056 73 HD3 ARG 11 HD3 ARG 11 54.734 -6.270 31.229 74 HE ARG 11 HE ARG 11 53.140 -8.696 31.776 75 HH11 ARG 11 HH12 ARG 11 54.251 -5.670 33.257 76 HH12 ARG 11 HH11 ARG 11 54.015 -6.365 34.861 77 HH21 ARG 11 HH22 ARG 11 52.921 -9.374 33.824 78 HH22 ARG 11 HH21 ARG 11 53.426 -8.324 35.160 79 H CYS 12 HN CYS 12 55.494 -2.379 29.804 80 HA CYS 12 HA CYS 12 57.219 -3.760 31.837 81 HB2 CYS 12 HB2 CYS 12 57.894 -2.910 29.032 82 HB3 CYS 12 HB3 CYS 12 58.934 -3.789 30.146 83 HN1 NH2 13 HN1 NH2 13 57.825 -2.380 33.435 84 HN2 NH2 13 HN2 NH2 13 58.376 -0.740 33.172 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 64.129 -2.536 27.164 2 H2 GLY 1 HT2 GLY 1 63.825 -4.151 27.139 3 H3 GLY 1 HT3 GLY 1 64.250 -3.425 28.551 4 HA2 GLY 1 HA1 GLY 1 61.930 -3.863 28.608 5 HA3 GLY 1 HA2 GLY 1 62.219 -2.122 28.547 6 H1 81S 2 HN 81S 2 60.156 -1.792 27.695 7 H4 81S 2 HA 81S 2 59.567 -2.748 24.894 8 H5 81S 2 HB2 81S 2 57.713 -2.157 27.232 9 H6 81S 2 HB3 81S 2 57.215 -2.677 25.643 10 H7 81S 2 HG 81S 2 56.977 -4.551 27.024 11 H8 81S 2 HD2 81S 2 59.531 -4.781 25.376 12 H9 81S 2 HD3 81S 2 58.738 -6.145 26.125 13 H ALA 3 HN ALA 3 60.435 -0.065 26.394 14 HA ALA 3 HA ALA 3 58.590 1.957 25.890 15 HB1 ALA 3 HB1 ALA 3 60.476 3.497 26.154 16 HB2 ALA 3 HB2 ALA 3 61.630 2.185 25.839 17 HB3 ALA 3 HB3 ALA 3 60.612 2.155 27.301 18 H SER 4 HN SER 4 60.585 0.431 23.443 19 HA SER 4 HA SER 4 60.040 2.485 21.401 20 HB2 SER 4 HB2 SER 4 61.219 -0.272 20.988 21 HB3 SER 4 HB3 SER 4 61.301 1.121 19.901 22 HG SER 4 HG SER 4 63.216 1.151 20.946 23 H ASP 5 HN ASP 5 58.227 -0.059 22.751 24 HA ASP 5 HA ASP 5 56.405 -0.260 20.392 25 HB2 ASP 5 HB2 ASP 5 57.785 -2.261 20.882 26 HB3 ASP 5 HB3 ASP 5 57.116 -2.328 22.510 27 HA PRO 6 HA PRO 6 54.167 1.921 23.752 28 HB2 PRO 6 HB2 PRO 6 52.314 2.319 21.390 29 HB3 PRO 6 HB3 PRO 6 52.729 3.453 22.719 30 HG2 PRO 6 HG2 PRO 6 53.998 3.729 20.362 31 HG3 PRO 6 HG3 PRO 6 54.960 3.751 21.872 32 HD2 PRO 6 HD2 PRO 6 54.505 1.430 19.972 33 HD3 PRO 6 HD3 PRO 6 56.033 2.021 20.692 34 H ARG 7 HN ARG 7 52.593 -0.419 21.513 35 HA ARG 7 HA ARG 7 50.392 -1.017 23.331 36 HB2 ARG 7 HB2 ARG 7 51.438 -2.569 20.930 37 HB3 ARG 7 HB3 ARG 7 49.917 -2.879 21.752 38 HG2 ARG 7 HG2 ARG 7 50.614 -0.321 20.248 39 HG3 ARG 7 HG3 ARG 7 49.562 -1.621 19.688 40 HD2 ARG 7 HD2 ARG 7 48.018 -1.176 21.581 41 HD3 ARG 7 HD3 ARG 7 49.052 0.170 22.108 42 HE ARG 7 HE ARG 7 48.534 0.712 19.442 43 HH11 ARG 7 HH11 ARG 7 46.429 0.275 22.242 44 HH12 ARG 7 HH12 ARG 7 45.363 1.557 21.697 45 HH21 ARG 7 HH22 ARG 7 47.000 2.060 18.716 46 HH22 ARG 7 HH21 ARG 7 45.485 2.215 19.573 47 H CYS 8 HN CYS 8 53.590 -1.815 23.587 48 HA CYS 8 HA CYS 8 53.062 -4.136 25.407 49 HB2 CYS 8 HB2 CYS 8 54.636 -4.094 23.246 50 HB3 CYS 8 HB3 CYS 8 55.714 -3.197 24.242 51 H ALA 9 HN ALA 9 54.618 -0.937 25.111 52 HA ALA 9 HA ALA 9 55.873 -0.741 27.540 53 HB1 ALA 9 HB1 ALA 9 54.187 1.393 26.137 54 HB2 ALA 9 HB2 ALA 9 55.865 0.970 25.717 55 HB3 ALA 9 HB3 ALA 9 55.499 1.702 27.292 56 H TRP 10 HN TRP 10 52.450 -0.551 26.873 57 HA TRP 10 HA TRP 10 50.855 -0.213 28.968 58 HB2 TRP 10 HB2 TRP 10 50.853 -1.634 26.663 59 HB3 TRP 10 HB3 TRP 10 50.971 -2.983 27.754 60 HD1 TRP 10 HD1 TRP 10 48.686 -0.800 26.051 61 HE1 TRP 10 HE1 TRP 10 46.227 -1.215 26.750 62 HE3 TRP 10 HE3 TRP 10 49.500 -3.521 30.312 63 HZ2 TRP 10 HZ2 TRP 10 44.831 -2.547 28.877 64 HZ3 TRP 10 HZ3 TRP 10 47.586 -4.402 31.622 65 HH2 TRP 10 HH2 TRP 10 45.254 -3.937 30.907 66 H ARG 11 HN ARG 11 53.176 -2.957 28.878 67 HA ARG 11 HA ARG 11 52.376 -3.829 31.629 68 HB2 ARG 11 HB2 ARG 11 54.037 -5.348 29.584 69 HB3 ARG 11 HB3 ARG 11 53.330 -5.940 31.078 70 HG2 ARG 11 HG2 ARG 11 51.048 -5.128 29.829 71 HG3 ARG 11 HG3 ARG 11 52.062 -5.425 28.418 72 HD2 ARG 11 HD2 ARG 11 51.136 -7.505 28.652 73 HD3 ARG 11 HD3 ARG 11 52.546 -7.754 29.679 74 HE ARG 11 HE ARG 11 49.699 -7.410 30.493 75 HH11 ARG 11 HH12 ARG 11 52.968 -7.901 31.800 76 HH12 ARG 11 HH11 ARG 11 52.322 -8.046 33.411 77 HH21 ARG 11 HH21 ARG 11 49.047 -7.664 32.426 78 HH22 ARG 11 HH22 ARG 11 50.141 -7.833 33.794 79 H CYS 12 HN CYS 12 54.810 -2.020 30.232 80 HA CYS 12 HA CYS 12 56.828 -2.867 32.310 81 HB2 CYS 12 HB2 CYS 12 57.320 -1.907 29.479 82 HB3 CYS 12 HB3 CYS 12 58.552 -2.353 30.663 83 HN1 NH2 13 HN1 NH2 13 55.029 -0.076 31.246 84 HN2 NH2 13 HN2 NH2 13 56.004 1.082 32.119 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 63.713 -5.536 25.541 2 H2 GLY 1 HT2 GLY 1 63.366 -4.480 24.317 3 H3 GLY 1 HT3 GLY 1 62.275 -5.644 24.739 4 HA2 GLY 1 HA1 GLY 1 61.985 -4.686 26.905 5 HA3 GLY 1 HA2 GLY 1 63.122 -3.405 26.450 6 H1 81S 2 HN 81S 2 59.916 -4.328 26.570 7 H4 81S 2 HA 81S 2 58.778 -3.300 24.241 8 H5 81S 2 HB2 81S 2 57.228 -3.288 26.817 9 H6 81S 2 HB3 81S 2 56.728 -3.652 25.222 10 H7 81S 2 HG 81S 2 56.614 -5.638 26.562 11 H8 81S 2 HD2 81S 2 58.592 -5.539 24.309 12 H9 81S 2 HD3 81S 2 58.544 -6.985 25.257 13 H ALA 3 HN ALA 3 60.095 -1.264 26.618 14 HA ALA 3 HA ALA 3 58.393 0.935 26.817 15 HB1 ALA 3 HB1 ALA 3 60.537 2.255 26.966 16 HB2 ALA 3 HB2 ALA 3 61.413 0.812 26.418 17 HB3 ALA 3 HB3 ALA 3 60.536 0.784 27.960 18 H SER 4 HN SER 4 60.371 0.108 23.960 19 HA SER 4 HA SER 4 59.650 2.497 22.455 20 HB2 SER 4 HB2 SER 4 60.871 -0.132 21.540 21 HB3 SER 4 HB3 SER 4 60.833 1.382 20.623 22 HG SER 4 HG SER 4 62.789 1.053 21.662 23 H ASP 5 HN ASP 5 57.730 -0.230 23.147 24 HA ASP 5 HA ASP 5 57.015 -0.835 20.406 25 HB2 ASP 5 HB2 ASP 5 57.558 -2.575 22.083 26 HB3 ASP 5 HB3 ASP 5 56.073 -2.169 22.950 27 HA PRO 6 HA PRO 6 53.291 1.553 20.376 28 HB2 PRO 6 HB2 PRO 6 52.359 -0.636 18.490 29 HB3 PRO 6 HB3 PRO 6 52.130 1.138 18.343 30 HG2 PRO 6 HG2 PRO 6 54.125 -0.051 16.971 31 HG3 PRO 6 HG3 PRO 6 54.465 1.469 17.866 32 HD2 PRO 6 HD2 PRO 6 55.078 -1.381 18.697 33 HD3 PRO 6 HD3 PRO 6 56.077 0.106 18.850 34 H ARG 7 HN ARG 7 53.146 -1.860 21.460 35 HA ARG 7 HA ARG 7 50.506 -1.204 22.748 36 HB2 ARG 7 HB2 ARG 7 51.454 -3.925 21.732 37 HB3 ARG 7 HB3 ARG 7 50.032 -3.645 22.714 38 HG2 ARG 7 HG2 ARG 7 50.443 -2.619 19.869 39 HG3 ARG 7 HG3 ARG 7 49.404 -3.953 20.391 40 HD2 ARG 7 HD2 ARG 7 48.246 -2.239 21.928 41 HD3 ARG 7 HD3 ARG 7 49.086 -0.990 20.990 42 HE ARG 7 HE ARG 7 47.786 -2.637 19.111 43 HH11 ARG 7 HH11 ARG 7 46.865 -0.503 21.755 44 HH12 ARG 7 HH12 ARG 7 45.245 -0.293 21.101 45 HH21 ARG 7 HH22 ARG 7 45.601 -2.202 18.360 46 HH22 ARG 7 HH21 ARG 7 44.594 -1.216 19.380 47 H CYS 8 HN CYS 8 53.290 -3.459 22.968 48 HA CYS 8 HA CYS 8 52.623 -3.915 25.676 49 HB2 CYS 8 HB2 CYS 8 54.655 -5.273 25.694 50 HB3 CYS 8 HB3 CYS 8 53.394 -5.739 24.582 51 H ALA 9 HN ALA 9 54.232 -1.210 24.635 52 HA ALA 9 HA ALA 9 55.697 -0.396 26.907 53 HB1 ALA 9 HB1 ALA 9 53.685 1.056 25.127 54 HB2 ALA 9 HB2 ALA 9 55.435 0.916 24.862 55 HB3 ALA 9 HB3 ALA 9 54.826 1.841 26.246 56 H TRP 10 HN TRP 10 52.193 -1.164 26.665 57 HA TRP 10 HA TRP 10 51.515 -0.027 29.220 58 HB2 TRP 10 HB2 TRP 10 49.457 -1.398 29.078 59 HB3 TRP 10 HB3 TRP 10 49.762 -0.262 27.798 60 HD1 TRP 10 HD1 TRP 10 48.391 -1.133 25.968 61 HE1 TRP 10 HE1 TRP 10 48.234 -3.277 24.543 62 HE3 TRP 10 HE3 TRP 10 51.497 -4.216 28.685 63 HZ2 TRP 10 HZ2 TRP 10 49.445 -5.854 24.473 64 HZ3 TRP 10 HZ3 TRP 10 51.970 -6.501 27.892 65 HH2 TRP 10 HH2 TRP 10 50.968 -7.332 25.783 66 H ARG 11 HN ARG 11 53.726 -2.372 28.856 67 HA ARG 11 HA ARG 11 53.417 -2.942 31.768 68 HB2 ARG 11 HB2 ARG 11 53.897 -4.992 29.598 69 HB3 ARG 11 HB3 ARG 11 54.796 -5.150 31.109 70 HG2 ARG 11 HG2 ARG 11 52.654 -5.005 32.399 71 HG3 ARG 11 HG3 ARG 11 51.765 -5.051 30.867 72 HD2 ARG 11 HD2 ARG 11 52.768 -7.241 30.345 73 HD3 ARG 11 HD3 ARG 11 53.722 -7.179 31.841 74 HE ARG 11 HE ARG 11 51.249 -6.936 32.882 75 HH11 ARG 11 HH12 ARG 11 52.368 -9.375 30.536 76 HH12 ARG 11 HH11 ARG 11 50.981 -10.380 30.976 77 HH21 ARG 11 HH22 ARG 11 49.791 -8.389 33.404 78 HH22 ARG 11 HH21 ARG 11 49.669 -9.910 32.497 79 H CYS 12 HN CYS 12 55.755 -2.561 29.060 80 HA CYS 12 HA CYS 12 57.862 -2.303 31.161 81 HB2 CYS 12 HB2 CYS 12 58.566 -2.815 28.324 82 HB3 CYS 12 HB3 CYS 12 59.412 -3.236 29.784 83 HN1 NH2 13 HN1 NH2 13 59.528 -0.751 31.035 84 HN2 NH2 13 HN2 NH2 13 59.314 0.732 30.137 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 63.150 -5.719 23.980 2 H2 GLY 1 HT2 GLY 1 62.076 -6.940 24.233 3 H3 GLY 1 HT3 GLY 1 63.367 -6.780 25.231 4 HA2 GLY 1 HA1 GLY 1 61.411 -6.017 26.339 5 HA3 GLY 1 HA2 GLY 1 62.528 -4.665 26.049 6 H1 81S 2 HN 81S 2 60.107 -3.824 26.489 7 H4 81S 2 HA 81S 2 58.786 -3.362 23.813 8 H5 81S 2 HB2 81S 2 57.265 -3.360 26.408 9 H6 81S 2 HB3 81S 2 56.671 -3.474 24.789 10 H7 81S 2 HG 81S 2 56.217 -5.524 25.821 11 H8 81S 2 HD2 81S 2 58.370 -5.509 23.768 12 H9 81S 2 HD3 81S 2 58.196 -7.004 24.627 13 H ALA 3 HN ALA 3 60.372 -1.712 26.246 14 HA ALA 3 HA ALA 3 58.708 0.221 27.192 15 HB1 ALA 3 HB1 ALA 3 60.799 1.532 27.639 16 HB2 ALA 3 HB2 ALA 3 61.679 0.420 26.569 17 HB3 ALA 3 HB3 ALA 3 60.923 -0.186 28.054 18 H SER 4 HN SER 4 59.978 0.364 23.916 19 HA SER 4 HA SER 4 58.588 2.993 23.496 20 HB2 SER 4 HB2 SER 4 61.020 1.860 22.089 21 HB3 SER 4 HB3 SER 4 60.170 3.351 21.615 22 HG SER 4 HG SER 4 61.918 3.856 22.899 23 H ASP 5 HN ASP 5 57.700 -0.063 23.134 24 HA ASP 5 HA ASP 5 57.037 -0.039 20.275 25 HB2 ASP 5 HB2 ASP 5 57.842 -2.104 21.254 26 HB3 ASP 5 HB3 ASP 5 56.471 -2.127 22.376 27 HA PRO 6 HA PRO 6 53.087 1.876 20.849 28 HB2 PRO 6 HB2 PRO 6 52.282 0.131 18.504 29 HB3 PRO 6 HB3 PRO 6 51.916 1.861 18.785 30 HG2 PRO 6 HG2 PRO 6 53.935 1.209 17.151 31 HG3 PRO 6 HG3 PRO 6 54.213 2.475 18.397 32 HD2 PRO 6 HD2 PRO 6 54.973 -0.458 18.488 33 HD3 PRO 6 HD3 PRO 6 55.944 0.990 18.913 34 H ARG 7 HN ARG 7 53.172 -1.691 21.099 35 HA ARG 7 HA ARG 7 50.253 -1.679 21.895 36 HB2 ARG 7 HB2 ARG 7 51.939 -4.020 20.926 37 HB3 ARG 7 HB3 ARG 7 50.217 -4.008 21.260 38 HG2 ARG 7 HG2 ARG 7 51.687 -2.742 18.939 39 HG3 ARG 7 HG3 ARG 7 50.474 -4.016 18.906 40 HD2 ARG 7 HD2 ARG 7 50.020 -1.064 19.493 41 HD3 ARG 7 HD3 ARG 7 49.570 -1.959 18.045 42 HE ARG 7 HE ARG 7 48.317 -3.070 20.443 43 HH11 ARG 7 HH12 ARG 7 47.965 -0.595 17.944 44 HH12 ARG 7 HH11 ARG 7 46.221 -0.596 18.128 45 HH21 ARG 7 HH22 ARG 7 46.135 -2.582 20.886 46 HH22 ARG 7 HH21 ARG 7 45.260 -1.631 19.707 47 H CYS 8 HN CYS 8 53.474 -2.779 22.792 48 HA CYS 8 HA CYS 8 52.323 -4.070 25.225 49 HB2 CYS 8 HB2 CYS 8 54.220 -5.592 24.961 50 HB3 CYS 8 HB3 CYS 8 53.086 -5.635 23.641 51 H ALA 9 HN ALA 9 53.910 -1.250 24.721 52 HA ALA 9 HA ALA 9 56.013 -1.303 26.692 53 HB1 ALA 9 HB1 ALA 9 55.864 1.138 26.495 54 HB2 ALA 9 HB2 ALA 9 54.300 1.007 25.668 55 HB3 ALA 9 HB3 ALA 9 55.775 0.416 24.883 56 H TRP 10 HN TRP 10 52.521 -0.950 26.944 57 HA TRP 10 HA TRP 10 52.145 0.625 29.064 58 HB2 TRP 10 HB2 TRP 10 50.024 -0.378 29.400 59 HB3 TRP 10 HB3 TRP 10 50.396 -0.419 27.694 60 HD1 TRP 10 HD1 TRP 10 50.477 -2.775 26.529 61 HE1 TRP 10 HE1 TRP 10 49.668 -5.124 27.238 62 HE3 TRP 10 HE3 TRP 10 50.122 -2.034 31.577 63 HZ2 TRP 10 HZ2 TRP 10 48.667 -6.380 29.619 64 HZ3 TRP 10 HZ3 TRP 10 49.121 -3.786 33.038 65 HH2 TRP 10 HH2 TRP 10 48.367 -5.946 32.069 66 H ARG 11 HN ARG 11 53.047 -2.796 29.555 67 HA ARG 11 HA ARG 11 53.211 -2.345 32.506 68 HB2 ARG 11 HB2 ARG 11 52.158 -4.427 31.075 69 HB3 ARG 11 HB3 ARG 11 53.778 -5.041 31.305 70 HG2 ARG 11 HG2 ARG 11 51.896 -4.094 33.520 71 HG3 ARG 11 HG3 ARG 11 52.097 -5.763 33.009 72 HD2 ARG 11 HD2 ARG 11 54.550 -5.587 33.634 73 HD3 ARG 11 HD3 ARG 11 54.172 -4.039 34.397 74 HE ARG 11 HE ARG 11 53.605 -6.689 35.425 75 HH11 ARG 11 HH12 ARG 11 52.623 -3.328 35.721 76 HH12 ARG 11 HH11 ARG 11 51.678 -3.651 37.150 77 HH21 ARG 11 HH22 ARG 11 52.311 -7.023 37.256 78 HH22 ARG 11 HH21 ARG 11 51.577 -5.633 38.000 79 H CYS 12 HN CYS 12 55.280 -2.895 29.732 80 HA CYS 12 HA CYS 12 57.497 -3.901 31.278 81 HB2 CYS 12 HB2 CYS 12 57.525 -2.916 28.436 82 HB3 CYS 12 HB3 CYS 12 58.791 -3.841 29.236 83 HN1 NH2 13 HN1 NH2 13 59.475 -3.049 31.858 84 HN2 NH2 13 HN2 NH2 13 59.747 -1.318 31.949 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 61.235 -7.514 24.539 2 H2 GLY 1 HT2 GLY 1 62.664 -7.690 25.351 3 H3 GLY 1 HT3 GLY 1 62.616 -6.862 23.932 4 HA2 GLY 1 HA1 GLY 1 61.384 -6.000 26.451 5 HA3 GLY 1 HA2 GLY 1 62.807 -5.295 25.655 6 H1 81S 2 HN 81S 2 60.154 -4.143 26.369 7 H4 81S 2 HA 81S 2 58.974 -3.518 23.654 8 H5 81S 2 HB2 81S 2 57.488 -3.419 26.242 9 H6 81S 2 HB3 81S 2 56.853 -3.561 24.639 10 H7 81S 2 HG 81S 2 56.330 -5.566 25.755 11 H8 81S 2 HD2 81S 2 58.442 -5.650 23.659 12 H9 81S 2 HD3 81S 2 58.210 -7.142 24.530 13 H ALA 3 HN ALA 3 60.732 -2.020 25.851 14 HA ALA 3 HA ALA 3 59.476 -0.080 27.196 15 HB1 ALA 3 HB1 ALA 3 61.624 1.109 27.271 16 HB2 ALA 3 HB2 ALA 3 62.177 0.248 25.817 17 HB3 ALA 3 HB3 ALA 3 61.882 -0.643 27.330 18 H SER 4 HN SER 4 60.078 0.267 23.718 19 HA SER 4 HA SER 4 58.643 2.897 23.740 20 HB2 SER 4 HB2 SER 4 60.925 1.944 22.001 21 HB3 SER 4 HB3 SER 4 60.026 3.459 21.733 22 HG SER 4 HG SER 4 62.034 3.647 22.978 23 H ASP 5 HN ASP 5 57.808 -0.161 23.201 24 HA ASP 5 HA ASP 5 56.806 0.023 20.473 25 HB2 ASP 5 HB2 ASP 5 57.544 -2.125 21.401 26 HB3 ASP 5 HB3 ASP 5 56.261 -2.053 22.605 27 HA PRO 6 HA PRO 6 53.084 2.188 21.590 28 HB2 PRO 6 HB2 PRO 6 51.943 0.685 19.214 29 HB3 PRO 6 HB3 PRO 6 51.744 2.411 19.651 30 HG2 PRO 6 HG2 PRO 6 53.535 1.723 17.761 31 HG3 PRO 6 HG3 PRO 6 54.004 2.907 19.029 32 HD2 PRO 6 HD2 PRO 6 54.629 -0.054 18.894 33 HD3 PRO 6 HD3 PRO 6 55.695 1.324 19.312 34 H ARG 7 HN ARG 7 52.987 -1.421 21.316 35 HA ARG 7 HA ARG 7 50.170 -1.411 22.376 36 HB2 ARG 7 HB2 ARG 7 51.740 -3.598 20.964 37 HB3 ARG 7 HB3 ARG 7 50.051 -3.659 21.426 38 HG2 ARG 7 HG2 ARG 7 51.330 -1.961 19.253 39 HG3 ARG 7 HG3 ARG 7 50.172 -3.275 19.057 40 HD2 ARG 7 HD2 ARG 7 49.640 -0.534 20.267 41 HD3 ARG 7 HD3 ARG 7 49.083 -1.128 18.700 42 HE ARG 7 HE ARG 7 48.104 -2.940 20.643 43 HH11 ARG 7 HH12 ARG 7 47.580 0.464 19.876 44 HH12 ARG 7 HH11 ARG 7 45.942 0.395 20.511 45 HH21 ARG 7 HH22 ARG 7 46.106 -2.911 21.391 46 HH22 ARG 7 HH21 ARG 7 45.183 -1.416 21.457 47 H CYS 8 HN CYS 8 53.427 -2.660 22.814 48 HA CYS 8 HA CYS 8 52.533 -3.965 25.326 49 HB2 CYS 8 HB2 CYS 8 54.275 -5.553 24.905 50 HB3 CYS 8 HB3 CYS 8 53.110 -5.526 23.617 51 H ALA 9 HN ALA 9 54.148 -1.131 24.792 52 HA ALA 9 HA ALA 9 56.059 -1.366 26.986 53 HB1 ALA 9 HB1 ALA 9 56.156 0.469 25.332 54 HB2 ALA 9 HB2 ALA 9 55.931 1.101 26.973 55 HB3 ALA 9 HB3 ALA 9 54.554 1.022 25.853 56 H TRP 10 HN TRP 10 52.690 -1.490 26.884 57 HA TRP 10 HA TRP 10 51.487 -0.156 28.783 58 HB2 TRP 10 HB2 TRP 10 50.801 -2.125 27.204 59 HB3 TRP 10 HB3 TRP 10 51.037 -3.147 28.609 60 HD1 TRP 10 HD1 TRP 10 48.918 -0.259 27.277 61 HE1 TRP 10 HE1 TRP 10 46.609 -0.254 28.479 62 HE3 TRP 10 HE3 TRP 10 49.791 -3.956 30.641 63 HZ2 TRP 10 HZ2 TRP 10 45.431 -1.532 30.783 64 HZ3 TRP 10 HZ3 TRP 10 48.049 -4.588 32.331 65 HH2 TRP 10 HH2 TRP 10 45.889 -3.372 32.415 66 H ARG 11 HN ARG 11 53.302 -3.123 29.784 67 HA ARG 11 HA ARG 11 53.494 -1.990 32.586 68 HB2 ARG 11 HB2 ARG 11 54.000 -4.852 31.687 69 HB3 ARG 11 HB3 ARG 11 54.053 -4.243 33.331 70 HG2 ARG 11 HG2 ARG 11 51.563 -4.518 31.613 71 HG3 ARG 11 HG3 ARG 11 52.096 -5.614 32.860 72 HD2 ARG 11 HD2 ARG 11 50.441 -4.443 33.907 73 HD3 ARG 11 HD3 ARG 11 51.909 -3.687 34.535 74 HE ARG 11 HE ARG 11 51.243 -2.021 32.452 75 HH11 ARG 11 HH12 ARG 11 49.248 -3.213 35.135 76 HH12 ARG 11 HH11 ARG 11 48.229 -1.773 35.022 77 HH21 ARG 11 HH21 ARG 11 49.702 -0.342 32.381 78 HH22 ARG 11 HH22 ARG 11 48.508 -0.307 33.670 79 H CYS 12 HN CYS 12 55.266 -3.288 29.831 80 HA CYS 12 HA CYS 12 57.787 -3.615 31.083 81 HB2 CYS 12 HB2 CYS 12 57.258 -2.951 28.201 82 HB3 CYS 12 HB3 CYS 12 58.766 -3.603 28.840 83 HN1 NH2 13 HN1 NH2 13 59.688 -2.392 31.336 84 HN2 NH2 13 HN2 NH2 13 59.762 -0.680 30.981 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 63.906 -3.399 26.115 2 H2 GLY 1 HT2 GLY 1 62.661 -2.592 26.836 3 H3 GLY 1 HT3 GLY 1 63.247 -2.077 25.394 4 HA2 GLY 1 HA1 GLY 1 62.478 -4.071 24.304 5 HA3 GLY 1 HA2 GLY 1 61.802 -4.597 25.862 6 H1 81S 2 HN 81S 2 59.644 -4.175 26.050 7 H4 81S 2 HA 81S 2 58.287 -2.878 24.009 8 H5 81S 2 HB2 81S 2 56.955 -3.195 26.689 9 H6 81S 2 HB3 81S 2 56.324 -3.297 25.115 10 H7 81S 2 HG 81S 2 56.262 -5.467 26.088 11 H8 81S 2 HD2 81S 2 58.177 -5.080 23.794 12 H9 81S 2 HD3 81S 2 58.047 -6.660 24.509 13 H ALA 3 HN ALA 3 59.736 -1.119 26.583 14 HA ALA 3 HA ALA 3 58.118 1.249 26.627 15 HB1 ALA 3 HB1 ALA 3 60.257 2.363 27.200 16 HB2 ALA 3 HB2 ALA 3 61.156 0.906 26.722 17 HB3 ALA 3 HB3 ALA 3 60.046 0.860 28.115 18 H SER 4 HN SER 4 60.442 0.018 24.206 19 HA SER 4 HA SER 4 60.275 2.319 22.438 20 HB2 SER 4 HB2 SER 4 61.303 -0.502 21.965 21 HB3 SER 4 HB3 SER 4 61.536 0.877 20.883 22 HG SER 4 HG SER 4 63.322 0.502 22.177 23 H ASP 5 HN ASP 5 57.775 0.191 23.091 24 HA ASP 5 HA ASP 5 56.869 0.111 20.255 25 HB2 ASP 5 HB2 ASP 5 57.711 -2.059 21.176 26 HB3 ASP 5 HB3 ASP 5 56.362 -2.029 22.315 27 HA PRO 6 HA PRO 6 53.200 2.214 21.729 28 HB2 PRO 6 HB2 PRO 6 52.068 0.883 19.248 29 HB3 PRO 6 HB3 PRO 6 51.776 2.542 19.860 30 HG2 PRO 6 HG2 PRO 6 53.578 2.165 17.899 31 HG3 PRO 6 HG3 PRO 6 54.014 3.214 19.292 32 HD2 PRO 6 HD2 PRO 6 54.775 0.327 18.795 33 HD3 PRO 6 HD3 PRO 6 55.773 1.689 19.400 34 H ARG 7 HN ARG 7 53.119 -1.373 21.261 35 HA ARG 7 HA ARG 7 50.254 -1.384 22.181 36 HB2 ARG 7 HB2 ARG 7 51.933 -3.354 20.598 37 HB3 ARG 7 HB3 ARG 7 50.312 -3.715 21.165 38 HG2 ARG 7 HG2 ARG 7 50.868 -1.328 19.347 39 HG3 ARG 7 HG3 ARG 7 50.609 -2.958 18.748 40 HD2 ARG 7 HD2 ARG 7 48.511 -1.949 18.562 41 HD3 ARG 7 HD3 ARG 7 48.394 -3.021 19.941 42 HE ARG 7 HE ARG 7 47.991 -1.214 21.330 43 HH11 ARG 7 HH12 ARG 7 49.017 0.097 18.224 44 HH12 ARG 7 HH11 ARG 7 48.535 1.711 18.672 45 HH21 ARG 7 HH21 ARG 7 47.239 0.825 21.723 46 HH22 ARG 7 HH22 ARG 7 47.516 2.101 20.575 47 H CYS 8 HN CYS 8 53.320 -1.969 23.371 48 HA CYS 8 HA CYS 8 52.211 -3.515 25.654 49 HB2 CYS 8 HB2 CYS 8 54.283 -4.953 25.410 50 HB3 CYS 8 HB3 CYS 8 52.988 -5.226 24.274 51 H ALA 9 HN ALA 9 53.888 -0.731 24.946 52 HA ALA 9 HA ALA 9 55.727 -0.347 27.060 53 HB1 ALA 9 HB1 ALA 9 53.454 1.409 26.008 54 HB2 ALA 9 HB2 ALA 9 55.105 1.325 25.336 55 HB3 ALA 9 HB3 ALA 9 54.835 1.978 26.961 56 H TRP 10 HN TRP 10 52.256 -0.604 27.054 57 HA TRP 10 HA TRP 10 50.993 -0.360 29.308 58 HB2 TRP 10 HB2 TRP 10 50.546 -1.754 27.204 59 HB3 TRP 10 HB3 TRP 10 51.388 -3.085 27.988 60 HD1 TRP 10 HD1 TRP 10 48.508 -0.688 28.653 61 HE1 TRP 10 HE1 TRP 10 46.588 -1.913 29.923 62 HE3 TRP 10 HE3 TRP 10 50.708 -5.255 29.131 63 HZ2 TRP 10 HZ2 TRP 10 46.171 -4.522 31.089 64 HZ3 TRP 10 HZ3 TRP 10 49.543 -7.106 30.335 65 HH2 TRP 10 HH2 TRP 10 47.296 -6.740 31.331 66 H ARG 11 HN ARG 11 53.701 -2.739 29.235 67 HA ARG 11 HA ARG 11 53.634 -2.739 32.230 68 HB2 ARG 11 HB2 ARG 11 53.750 -5.217 30.456 69 HB3 ARG 11 HB3 ARG 11 54.298 -5.226 32.126 70 HG2 ARG 11 HG2 ARG 11 51.487 -4.505 31.292 71 HG3 ARG 11 HG3 ARG 11 52.001 -6.100 31.849 72 HD2 ARG 11 HD2 ARG 11 52.683 -5.105 34.026 73 HD3 ARG 11 HD3 ARG 11 52.114 -3.521 33.490 74 HE ARG 11 HE ARG 11 50.526 -5.639 34.571 75 HH11 ARG 11 HH12 ARG 11 50.267 -2.967 32.269 76 HH12 ARG 11 HH11 ARG 11 48.529 -2.889 32.520 77 HH21 ARG 11 HH22 ARG 11 48.310 -5.437 34.730 78 HH22 ARG 11 HH21 ARG 11 47.512 -4.146 33.850 79 H CYS 12 HN CYS 12 55.653 -2.754 29.391 80 HA CYS 12 HA CYS 12 58.046 -3.094 31.161 81 HB2 CYS 12 HB2 CYS 12 58.271 -2.909 28.204 82 HB3 CYS 12 HB3 CYS 12 59.336 -3.657 29.354 83 HN1 NH2 13 HN1 NH2 13 59.595 -1.543 31.485 84 HN2 NH2 13 HN2 NH2 13 59.454 0.100 30.889 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 62.849 -2.534 22.907 2 H2 GLY 1 HT2 GLY 1 62.510 -4.083 23.349 3 H3 GLY 1 HT3 GLY 1 63.927 -3.381 23.807 4 HA2 GLY 1 HA1 GLY 1 62.326 -3.507 25.644 5 HA3 GLY 1 HA2 GLY 1 62.851 -1.860 25.247 6 H1 81S 2 HN 81S 2 60.206 -3.105 26.370 7 H4 81S 2 HA 81S 2 58.225 -2.482 24.348 8 H5 81S 2 HB2 81S 2 57.355 -2.463 27.190 9 H6 81S 2 HB3 81S 2 56.617 -3.069 25.789 10 H7 81S 2 HG 81S 2 57.066 -4.921 27.197 11 H8 81S 2 HD2 81S 2 58.919 -4.849 24.784 12 H9 81S 2 HD3 81S 2 58.715 -6.246 25.776 13 H ALA 3 HN ALA 3 59.999 -0.501 26.569 14 HA ALA 3 HA ALA 3 58.357 1.863 26.431 15 HB1 ALA 3 HB1 ALA 3 60.410 3.016 27.113 16 HB2 ALA 3 HB2 ALA 3 61.364 1.573 26.740 17 HB3 ALA 3 HB3 ALA 3 60.177 1.537 28.065 18 H SER 4 HN SER 4 60.027 0.208 23.943 19 HA SER 4 HA SER 4 59.766 2.518 22.074 20 HB2 SER 4 HB2 SER 4 61.478 0.028 21.784 21 HB3 SER 4 HB3 SER 4 61.437 1.418 20.691 22 HG SER 4 HG SER 4 63.199 1.343 22.233 23 H ASP 5 HN ASP 5 57.957 -0.074 22.995 24 HA ASP 5 HA ASP 5 56.831 -0.542 20.265 25 HB2 ASP 5 HB2 ASP 5 58.125 -2.513 21.063 26 HB3 ASP 5 HB3 ASP 5 57.059 -2.630 22.460 27 HA PRO 6 HA PRO 6 54.115 1.918 22.946 28 HB2 PRO 6 HB2 PRO 6 52.471 1.840 20.400 29 HB3 PRO 6 HB3 PRO 6 52.697 3.201 21.552 30 HG2 PRO 6 HG2 PRO 6 54.186 3.106 19.314 31 HG3 PRO 6 HG3 PRO 6 54.971 3.484 20.878 32 HD2 PRO 6 HD2 PRO 6 54.959 0.877 19.356 33 HD3 PRO 6 HD3 PRO 6 56.278 1.658 20.274 34 H ARG 7 HN ARG 7 52.585 -0.745 21.040 35 HA ARG 7 HA ARG 7 50.342 -0.838 22.939 36 HB2 ARG 7 HB2 ARG 7 50.913 -2.604 20.558 37 HB3 ARG 7 HB3 ARG 7 49.441 -2.630 21.523 38 HG2 ARG 7 HG2 ARG 7 50.415 -0.246 19.878 39 HG3 ARG 7 HG3 ARG 7 49.192 -1.407 19.405 40 HD2 ARG 7 HD2 ARG 7 47.935 0.423 20.104 41 HD3 ARG 7 HD3 ARG 7 47.832 -0.705 21.445 42 HE ARG 7 HE ARG 7 48.773 0.915 22.801 43 HH11 ARG 7 HH12 ARG 7 49.513 1.984 19.486 44 HH12 ARG 7 HH11 ARG 7 50.162 3.484 20.138 45 HH21 ARG 7 HH21 ARG 7 49.625 2.809 23.379 46 HH22 ARG 7 HH22 ARG 7 50.301 3.893 22.149 47 H CYS 8 HN CYS 8 53.362 -1.844 23.399 48 HA CYS 8 HA CYS 8 52.536 -3.964 25.333 49 HB2 CYS 8 HB2 CYS 8 54.177 -4.430 23.423 50 HB3 CYS 8 HB3 CYS 8 55.281 -3.341 24.187 51 H ALA 9 HN ALA 9 53.159 -0.652 25.147 52 HA ALA 9 HA ALA 9 55.201 -0.293 27.004 53 HB1 ALA 9 HB1 ALA 9 54.467 1.384 25.348 54 HB2 ALA 9 HB2 ALA 9 54.465 2.080 26.982 55 HB3 ALA 9 HB3 ALA 9 52.938 1.604 26.228 56 H TRP 10 HN TRP 10 51.777 -0.841 27.669 57 HA TRP 10 HA TRP 10 51.570 -0.129 30.394 58 HB2 TRP 10 HB2 TRP 10 49.901 -1.830 30.526 59 HB3 TRP 10 HB3 TRP 10 49.761 -1.044 28.971 60 HD1 TRP 10 HD1 TRP 10 50.174 -2.536 26.806 61 HE1 TRP 10 HE1 TRP 10 50.254 -5.084 26.421 62 HE3 TRP 10 HE3 TRP 10 50.863 -4.070 31.629 63 HZ2 TRP 10 HZ2 TRP 10 50.343 -7.471 28.026 64 HZ3 TRP 10 HZ3 TRP 10 50.789 -6.493 32.203 65 HH2 TRP 10 HH2 TRP 10 50.531 -8.199 30.411 66 H ARG 11 HN ARG 11 53.163 -2.957 28.948 67 HA ARG 11 HA ARG 11 53.595 -4.430 31.368 68 HB2 ARG 11 HB2 ARG 11 53.712 -4.945 28.664 69 HB3 ARG 11 HB3 ARG 11 55.422 -4.862 29.025 70 HG2 ARG 11 HG2 ARG 11 53.337 -6.753 30.176 71 HG3 ARG 11 HG3 ARG 11 54.616 -7.123 29.039 72 HD2 ARG 11 HD2 ARG 11 55.488 -8.015 30.976 73 HD3 ARG 11 HD3 ARG 11 56.266 -6.443 30.927 74 HE ARG 11 HE ARG 11 55.225 -5.908 32.914 75 HH11 ARG 11 HH12 ARG 11 53.327 -8.612 31.647 76 HH12 ARG 11 HH11 ARG 11 52.247 -8.565 33.027 77 HH21 ARG 11 HH22 ARG 11 54.038 -6.026 34.592 78 HH22 ARG 11 HH21 ARG 11 52.641 -7.081 34.722 79 H CYS 12 HN CYS 12 55.654 -2.287 29.475 80 HA CYS 12 HA CYS 12 57.584 -2.044 31.757 81 HB2 CYS 12 HB2 CYS 12 58.530 -2.049 28.898 82 HB3 CYS 12 HB3 CYS 12 59.469 -2.226 30.356 83 HN1 NH2 13 HN1 NH2 13 57.786 0.052 32.375 84 HN2 NH2 13 HN2 NH2 13 57.557 1.438 31.319 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 63.516 -6.159 26.700 2 H2 GLY 1 HT2 GLY 1 63.085 -5.764 25.165 3 H3 GLY 1 HT3 GLY 1 62.049 -6.627 26.098 4 HA2 GLY 1 HA1 GLY 1 61.653 -4.810 27.544 5 HA3 GLY 1 HA2 GLY 1 62.914 -3.883 26.704 6 H1 81S 2 HN 81S 2 60.188 -3.089 27.063 7 H4 81S 2 HA 81S 2 59.131 -3.161 24.235 8 H5 81S 2 HB2 81S 2 57.486 -3.002 26.761 9 H6 81S 2 HB3 81S 2 56.931 -3.215 25.125 10 H7 81S 2 HG 81S 2 56.544 -5.235 26.235 11 H8 81S 2 HD2 81S 2 58.686 -5.226 24.172 12 H9 81S 2 HD3 81S 2 58.576 -6.685 25.097 13 H ALA 3 HN ALA 3 60.351 -0.977 26.459 14 HA ALA 3 HA ALA 3 58.635 1.129 26.714 15 HB1 ALA 3 HB1 ALA 3 61.616 1.257 26.071 16 HB2 ALA 3 HB2 ALA 3 60.886 1.033 27.676 17 HB3 ALA 3 HB3 ALA 3 60.653 2.554 26.806 18 H SER 4 HN SER 4 60.601 0.599 23.750 19 HA SER 4 HA SER 4 59.352 2.897 22.389 20 HB2 SER 4 HB2 SER 4 61.504 0.981 21.448 21 HB3 SER 4 HB3 SER 4 60.925 2.404 20.569 22 HG SER 4 HG SER 4 62.610 3.187 21.603 23 H ASP 5 HN ASP 5 57.910 0.098 22.958 24 HA ASP 5 HA ASP 5 56.727 -0.155 20.238 25 HB2 ASP 5 HB2 ASP 5 57.598 -2.235 21.130 26 HB3 ASP 5 HB3 ASP 5 56.602 -2.055 22.580 27 HA PRO 6 HA PRO 6 53.393 2.182 22.102 28 HB2 PRO 6 HB2 PRO 6 51.837 1.315 19.670 29 HB3 PRO 6 HB3 PRO 6 52.014 2.953 20.378 30 HG2 PRO 6 HG2 PRO 6 53.457 2.288 18.205 31 HG3 PRO 6 HG3 PRO 6 54.271 3.127 19.567 32 HD2 PRO 6 HD2 PRO 6 54.198 0.139 18.982 33 HD3 PRO 6 HD3 PRO 6 55.601 1.201 19.315 34 H ARG 7 HN ARG 7 53.036 -1.290 21.680 35 HA ARG 7 HA ARG 7 50.291 -1.232 22.915 36 HB2 ARG 7 HB2 ARG 7 51.451 -2.906 20.649 37 HB3 ARG 7 HB3 ARG 7 50.075 -3.463 21.581 38 HG2 ARG 7 HG2 ARG 7 50.191 -0.903 19.931 39 HG3 ARG 7 HG3 ARG 7 49.382 -2.404 19.483 40 HD2 ARG 7 HD2 ARG 7 48.609 -0.516 21.743 41 HD3 ARG 7 HD3 ARG 7 47.741 -0.813 20.236 42 HE ARG 7 HE ARG 7 48.104 -3.232 21.854 43 HH11 ARG 7 HH11 ARG 7 45.944 -0.463 21.486 44 HH12 ARG 7 HH12 ARG 7 44.635 -1.333 22.247 45 HH21 ARG 7 HH22 ARG 7 46.449 -4.214 22.725 46 HH22 ARG 7 HH21 ARG 7 44.862 -3.457 22.816 47 H CYS 8 HN CYS 8 53.531 -2.357 23.155 48 HA CYS 8 HA CYS 8 52.612 -3.799 25.588 49 HB2 CYS 8 HB2 CYS 8 54.354 -5.409 25.265 50 HB3 CYS 8 HB3 CYS 8 53.305 -5.413 23.875 51 H ALA 9 HN ALA 9 54.358 -1.030 24.816 52 HA ALA 9 HA ALA 9 56.129 -0.977 27.100 53 HB1 ALA 9 HB1 ALA 9 56.046 0.819 25.420 54 HB2 ALA 9 HB2 ALA 9 55.635 1.470 27.015 55 HB3 ALA 9 HB3 ALA 9 54.348 1.160 25.827 56 H TRP 10 HN TRP 10 52.700 -1.029 26.747 57 HA TRP 10 HA TRP 10 51.233 -0.113 28.571 58 HB2 TRP 10 HB2 TRP 10 50.819 -2.030 26.934 59 HB3 TRP 10 HB3 TRP 10 51.322 -3.141 28.198 60 HD1 TRP 10 HD1 TRP 10 48.869 -0.268 27.709 61 HE1 TRP 10 HE1 TRP 10 46.725 -0.654 29.120 62 HE3 TRP 10 HE3 TRP 10 50.065 -4.811 29.699 63 HZ2 TRP 10 HZ2 TRP 10 45.758 -2.644 30.979 64 HZ3 TRP 10 HZ3 TRP 10 48.522 -5.940 31.299 65 HH2 TRP 10 HH2 TRP 10 46.398 -4.845 31.983 66 H ARG 11 HN ARG 11 52.943 -3.097 29.627 67 HA ARG 11 HA ARG 11 53.179 -1.956 32.386 68 HB2 ARG 11 HB2 ARG 11 52.014 -4.686 31.710 69 HB3 ARG 11 HB3 ARG 11 52.473 -4.189 33.332 70 HG2 ARG 11 HG2 ARG 11 50.342 -2.817 31.656 71 HG3 ARG 11 HG3 ARG 11 50.045 -4.001 32.926 72 HD2 ARG 11 HD2 ARG 11 50.980 -2.475 34.594 73 HD3 ARG 11 HD3 ARG 11 51.358 -1.281 33.348 74 HE ARG 11 HE ARG 11 48.729 -1.909 34.504 75 HH11 ARG 11 HH11 ARG 11 50.283 -0.204 31.824 76 HH12 ARG 11 HH12 ARG 11 48.820 0.704 31.504 77 HH21 ARG 11 HH21 ARG 11 47.017 -0.537 34.106 78 HH22 ARG 11 HH22 ARG 11 47.179 0.679 32.861 79 H CYS 12 HN CYS 12 55.057 -2.470 30.101 80 HA CYS 12 HA CYS 12 57.140 -3.948 31.661 81 HB2 CYS 12 HB2 CYS 12 57.206 -2.818 28.868 82 HB3 CYS 12 HB3 CYS 12 58.599 -3.487 29.715 83 HN1 NH2 13 HN1 NH2 13 58.914 -2.878 32.582 84 HN2 NH2 13 HN2 NH2 13 59.029 -1.126 32.624 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 63.405 -5.358 24.742 2 H2 GLY 1 HT2 GLY 1 62.375 -6.478 25.355 3 H3 GLY 1 HT3 GLY 1 63.722 -6.038 26.196 4 HA2 GLY 1 HA1 GLY 1 61.726 -5.008 27.135 5 HA3 GLY 1 HA2 GLY 1 62.903 -3.824 26.518 6 H1 81S 2 HN 81S 2 60.520 -2.838 26.756 7 H4 81S 2 HA 81S 2 59.225 -2.823 24.028 8 H5 81S 2 HB2 81S 2 58.036 -2.260 26.740 9 H6 81S 2 HB3 81S 2 57.154 -2.350 25.226 10 H7 81S 2 HG 81S 2 56.544 -4.260 26.309 11 H8 81S 2 HD2 81S 2 57.579 -4.472 23.893 12 H9 81S 2 HD3 81S 2 58.828 -5.399 24.691 13 H ALA 3 HN ALA 3 61.221 -1.014 25.659 14 HA ALA 3 HA ALA 3 60.263 1.418 26.419 15 HB1 ALA 3 HB1 ALA 3 62.616 0.608 26.590 16 HB2 ALA 3 HB2 ALA 3 62.521 2.282 26.010 17 HB3 ALA 3 HB3 ALA 3 62.852 0.968 24.864 18 H SER 4 HN SER 4 60.538 0.490 23.013 19 HA SER 4 HA SER 4 59.200 3.034 22.274 20 HB2 SER 4 HB2 SER 4 61.784 2.724 21.644 21 HB3 SER 4 HB3 SER 4 61.078 1.878 20.259 22 HG SER 4 HG SER 4 60.866 3.874 19.558 23 H ASP 5 HN ASP 5 57.928 0.590 22.944 24 HA ASP 5 HA ASP 5 56.391 0.289 20.426 25 HB2 ASP 5 HB2 ASP 5 57.881 -1.676 20.549 26 HB3 ASP 5 HB3 ASP 5 57.216 -2.091 22.133 27 HA PRO 6 HA PRO 6 53.825 1.691 23.987 28 HB2 PRO 6 HB2 PRO 6 52.098 2.311 21.574 29 HB3 PRO 6 HB3 PRO 6 52.251 3.222 23.113 30 HG2 PRO 6 HG2 PRO 6 53.667 4.052 20.996 31 HG3 PRO 6 HG3 PRO 6 54.494 3.889 22.580 32 HD2 PRO 6 HD2 PRO 6 54.520 1.960 20.241 33 HD3 PRO 6 HD3 PRO 6 55.880 2.515 21.259 34 H ARG 7 HN ARG 7 52.705 -0.414 21.337 35 HA ARG 7 HA ARG 7 50.386 -1.442 22.750 36 HB2 ARG 7 HB2 ARG 7 51.817 -2.436 20.264 37 HB3 ARG 7 HB3 ARG 7 50.295 -3.088 20.860 38 HG2 ARG 7 HG2 ARG 7 50.696 -0.195 19.986 39 HG3 ARG 7 HG3 ARG 7 50.028 -1.482 18.984 40 HD2 ARG 7 HD2 ARG 7 48.134 -1.763 20.531 41 HD3 ARG 7 HD3 ARG 7 48.791 -0.494 21.587 42 HE ARG 7 HE ARG 7 48.567 0.590 18.983 43 HH11 ARG 7 HH12 ARG 7 46.289 -0.514 21.413 44 HH12 ARG 7 HH11 ARG 7 45.065 0.629 20.902 45 HH21 ARG 7 HH21 ARG 7 47.048 2.061 18.469 46 HH22 ARG 7 HH22 ARG 7 45.446 1.956 19.144 47 H CYS 8 HN CYS 8 53.562 -2.039 23.498 48 HA CYS 8 HA CYS 8 52.598 -4.318 25.202 49 HB2 CYS 8 HB2 CYS 8 54.187 -4.991 23.316 50 HB3 CYS 8 HB3 CYS 8 55.398 -4.003 24.086 51 H ALA 9 HN ALA 9 54.437 -1.306 24.924 52 HA ALA 9 HA ALA 9 55.857 -1.422 27.259 53 HB1 ALA 9 HB1 ALA 9 56.051 0.306 25.458 54 HB2 ALA 9 HB2 ALA 9 55.976 1.036 27.069 55 HB3 ALA 9 HB3 ALA 9 54.539 1.046 26.033 56 H TRP 10 HN TRP 10 52.457 -1.126 27.045 57 HA TRP 10 HA TRP 10 51.715 0.412 29.272 58 HB2 TRP 10 HB2 TRP 10 49.506 -0.653 28.874 59 HB3 TRP 10 HB3 TRP 10 50.270 -0.006 27.444 60 HD1 TRP 10 HD1 TRP 10 50.479 -1.507 25.432 61 HE1 TRP 10 HE1 TRP 10 50.005 -3.963 24.872 62 HE3 TRP 10 HE3 TRP 10 49.351 -3.197 30.125 63 HZ2 TRP 10 HZ2 TRP 10 49.248 -6.360 26.276 64 HZ3 TRP 10 HZ3 TRP 10 48.721 -5.580 30.477 65 HH2 TRP 10 HH2 TRP 10 48.696 -7.170 28.578 66 H ARG 11 HN ARG 11 52.925 -2.857 29.394 67 HA ARG 11 HA ARG 11 52.557 -2.673 32.366 68 HB2 ARG 11 HB2 ARG 11 52.094 -5.016 30.560 69 HB3 ARG 11 HB3 ARG 11 52.975 -5.375 32.034 70 HG2 ARG 11 HG2 ARG 11 50.318 -3.909 32.013 71 HG3 ARG 11 HG3 ARG 11 50.489 -5.659 32.190 72 HD2 ARG 11 HD2 ARG 11 51.756 -5.358 34.277 73 HD3 ARG 11 HD3 ARG 11 51.678 -3.599 34.092 74 HE ARG 11 HE ARG 11 49.132 -5.151 34.180 75 HH11 ARG 11 HH11 ARG 11 51.147 -2.914 36.038 76 HH12 ARG 11 HH12 ARG 11 49.692 -2.170 36.717 77 HH21 ARG 11 HH22 ARG 11 47.497 -4.293 35.289 78 HH22 ARG 11 HH21 ARG 11 47.808 -2.931 36.380 79 H CYS 12 HN CYS 12 54.817 -2.512 29.953 80 HA CYS 12 HA CYS 12 57.041 -3.509 31.645 81 HB2 CYS 12 HB2 CYS 12 57.082 -2.362 28.846 82 HB3 CYS 12 HB3 CYS 12 58.446 -3.046 29.718 83 HN1 NH2 13 HN1 NH2 13 55.546 -1.108 32.634 84 HN2 NH2 13 HN2 NH2 13 56.753 0.158 32.688 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 60.997 -6.429 26.988 2 H2 GLY 1 HT2 GLY 1 62.612 -6.583 27.221 3 H3 GLY 1 HT3 GLY 1 61.980 -6.636 25.693 4 HA2 GLY 1 HA1 GLY 1 61.857 -4.275 27.453 5 HA3 GLY 1 HA2 GLY 1 63.113 -4.531 26.228 6 H1 81S 2 HN 81S 2 60.236 -3.054 26.799 7 H4 81S 2 HA 81S 2 59.264 -3.118 23.944 8 H5 81S 2 HB2 81S 2 57.645 -2.879 26.494 9 H6 81S 2 HB3 81S 2 57.027 -3.073 24.872 10 H7 81S 2 HG 81S 2 56.627 -5.103 25.950 11 H8 81S 2 HD2 81S 2 59.038 -5.257 24.137 12 H9 81S 2 HD3 81S 2 58.437 -6.706 24.923 13 H ALA 3 HN ALA 3 60.666 -1.099 25.999 14 HA ALA 3 HA ALA 3 59.156 1.038 26.683 15 HB1 ALA 3 HB1 ALA 3 62.023 1.160 25.642 16 HB2 ALA 3 HB2 ALA 3 61.522 0.710 27.290 17 HB3 ALA 3 HB3 ALA 3 61.249 2.355 26.701 18 H SER 4 HN SER 4 60.324 0.584 23.356 19 HA SER 4 HA SER 4 58.817 3.022 22.489 20 HB2 SER 4 HB2 SER 4 61.410 1.880 21.430 21 HB3 SER 4 HB3 SER 4 60.446 3.083 20.545 22 HG SER 4 HG SER 4 60.832 4.578 22.031 23 H ASP 5 HN ASP 5 58.018 0.028 22.758 24 HA ASP 5 HA ASP 5 56.526 0.114 20.163 25 HB2 ASP 5 HB2 ASP 5 57.999 -1.864 20.355 26 HB3 ASP 5 HB3 ASP 5 57.201 -2.323 21.857 27 HA PRO 6 HA PRO 6 54.066 1.565 23.776 28 HB2 PRO 6 HB2 PRO 6 52.330 2.496 21.472 29 HB3 PRO 6 HB3 PRO 6 52.659 3.313 23.038 30 HG2 PRO 6 HG2 PRO 6 54.049 4.067 20.867 31 HG3 PRO 6 HG3 PRO 6 54.941 3.761 22.396 32 HD2 PRO 6 HD2 PRO 6 54.601 1.927 20.012 33 HD3 PRO 6 HD3 PRO 6 56.077 2.306 20.937 34 H ARG 7 HN ARG 7 52.747 -0.348 21.112 35 HA ARG 7 HA ARG 7 50.283 -1.237 22.301 36 HB2 ARG 7 HB2 ARG 7 52.070 -2.786 20.382 37 HB3 ARG 7 HB3 ARG 7 50.331 -2.962 20.603 38 HG2 ARG 7 HG2 ARG 7 51.788 -0.602 19.340 39 HG3 ARG 7 HG3 ARG 7 50.810 -1.813 18.520 40 HD2 ARG 7 HD2 ARG 7 48.805 -1.023 19.721 41 HD3 ARG 7 HD3 ARG 7 49.771 0.230 20.536 42 HE ARG 7 HE ARG 7 50.120 0.429 17.704 43 HH11 ARG 7 HH12 ARG 7 47.780 1.296 20.169 44 HH12 ARG 7 HH11 ARG 7 47.041 2.518 19.168 45 HH21 ARG 7 HH22 ARG 7 48.973 1.734 16.397 46 HH22 ARG 7 HH21 ARG 7 47.665 2.712 17.002 47 H CYS 8 HN CYS 8 53.474 -1.946 23.156 48 HA CYS 8 HA CYS 8 52.816 -4.343 24.840 49 HB2 CYS 8 HB2 CYS 8 54.240 -4.323 22.570 50 HB3 CYS 8 HB3 CYS 8 55.467 -3.631 23.563 51 H ALA 9 HN ALA 9 53.666 -1.079 25.073 52 HA ALA 9 HA ALA 9 55.716 -1.458 27.094 53 HB1 ALA 9 HB1 ALA 9 55.996 0.943 26.885 54 HB2 ALA 9 HB2 ALA 9 54.447 1.091 26.029 55 HB3 ALA 9 HB3 ALA 9 55.812 0.249 25.269 56 H TRP 10 HN TRP 10 52.381 -1.446 27.324 57 HA TRP 10 HA TRP 10 51.870 0.444 29.376 58 HB2 TRP 10 HB2 TRP 10 49.621 -0.758 29.409 59 HB3 TRP 10 HB3 TRP 10 50.143 0.018 27.926 60 HD1 TRP 10 HD1 TRP 10 50.530 -1.438 25.819 61 HE1 TRP 10 HE1 TRP 10 50.081 -3.887 25.207 62 HE3 TRP 10 HE3 TRP 10 49.427 -3.247 30.484 63 HZ2 TRP 10 HZ2 TRP 10 49.270 -6.312 26.554 64 HZ3 TRP 10 HZ3 TRP 10 48.788 -5.634 30.778 65 HH2 TRP 10 HH2 TRP 10 48.703 -7.165 28.832 66 H ARG 11 HN ARG 11 52.953 -2.859 29.746 67 HA ARG 11 HA ARG 11 52.947 -2.387 32.712 68 HB2 ARG 11 HB2 ARG 11 52.179 -4.801 31.086 69 HB3 ARG 11 HB3 ARG 11 53.144 -5.113 32.518 70 HG2 ARG 11 HG2 ARG 11 50.578 -3.468 32.587 71 HG3 ARG 11 HG3 ARG 11 50.660 -5.217 32.836 72 HD2 ARG 11 HD2 ARG 11 52.341 -4.797 34.683 73 HD3 ARG 11 HD3 ARG 11 51.973 -3.073 34.562 74 HE ARG 11 HE ARG 11 49.487 -4.045 34.899 75 HH11 ARG 11 HH12 ARG 11 52.390 -4.685 36.775 76 HH12 ARG 11 HH11 ARG 11 51.483 -5.562 37.998 77 HH21 ARG 11 HH22 ARG 11 48.405 -4.912 36.602 78 HH22 ARG 11 HH21 ARG 11 49.275 -5.523 37.997 79 H CYS 12 HN CYS 12 54.899 -3.382 29.912 80 HA CYS 12 HA CYS 12 57.170 -4.220 31.375 81 HB2 CYS 12 HB2 CYS 12 57.014 -2.801 28.707 82 HB3 CYS 12 HB3 CYS 12 58.496 -3.469 29.397 83 HN1 NH2 13 HN1 NH2 13 59.096 -3.241 32.143 84 HN2 NH2 13 HN2 NH2 13 59.182 -1.528 32.469
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