NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
654064 | 7d37 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 HT1 CYS 1 -1.866 5.069 3.162 2 H2 CYS 1 HT2 CYS 1 -1.737 3.563 2.404 3 H3 CYS 1 HT3 CYS 1 -3.196 4.417 2.344 4 HA CYS 1 HA CYS 1 -2.192 6.147 1.033 5 HB2 CYS 1 HB2 CYS 1 0.278 4.417 0.910 6 HB3 CYS 1 HB1 CYS 1 0.076 6.058 0.308 7 H CY1 2 HN ACM 2 -1.124 3.371 0.028 8 HA CY1 2 HA ACM 2 -2.400 2.705 -2.036 9 HB2 CY1 2 HB1 ACM 2 -1.438 0.290 -0.618 10 HB3 CY1 2 HB2 ACM 2 -1.756 0.543 -2.232 11 HD2 CY1 2 HAG ACM 2 -0.644 3.408 -2.817 12 HD3 CY1 2 HKL ACM 2 1.102 3.164 -3.320 13 HE CY1 2 HAH ACM 2 -0.377 0.859 -3.814 14 HM1 CY1 2 HAJ ACM 2 -1.486 0.433 -5.809 15 HM2 CY1 2 HKM ACM 2 -0.042 0.763 -6.797 16 HM3 CY1 2 HKN ACM 2 -1.543 1.673 -7.086 17 H GLU 3 HN GLU 3 -3.079 0.095 0.244 18 HA GLU 3 HA GLU 3 -5.972 0.591 0.077 19 HB2 GLU 3 HB2 GLU 3 -4.551 -1.927 -0.789 20 HB3 GLU 3 HB1 GLU 3 -6.258 -1.926 -0.335 21 HG2 GLU 3 HG2 GLU 3 -6.711 -0.286 -2.100 22 HG3 GLU 3 HG1 GLU 3 -5.010 -0.323 -2.562 23 H LEU 4 HN LEU 4 -3.543 -1.647 1.483 24 HA LEU 4 HA LEU 4 -4.854 -1.372 4.047 25 HB2 LEU 4 HB2 LEU 4 -4.056 -3.994 2.827 26 HB3 LEU 4 HB1 LEU 4 -4.537 -3.802 4.500 27 HG LEU 4 HG LEU 4 -6.454 -2.921 2.394 28 HD11 LEU 4 HD11 LEU 4 -5.701 -5.069 1.551 29 HD12 LEU 4 HD12 LEU 4 -7.335 -5.202 2.201 30 HD13 LEU 4 HD13 LEU 4 -5.964 -5.802 3.133 31 HD21 LEU 4 HD21 LEU 4 -6.972 -2.583 4.757 32 HD22 LEU 4 HD22 LEU 4 -6.762 -4.308 5.057 33 HD23 LEU 4 HD23 LEU 4 -8.079 -3.746 4.027 34 H CYS 5 HN CYS 5 -2.586 -0.115 3.049 35 HA CYS 5 HA CYS 5 -1.054 -0.231 5.298 36 HB2 CYS 5 HB2 CYS 5 -0.579 -2.259 3.452 37 HB3 CYS 5 HB1 CYS 5 0.770 -1.128 3.241 38 H CYS 6 HN CYS 6 1.334 0.373 3.862 39 HA CYS 6 HA CYS 6 0.753 2.432 2.036 40 HB2 CYS 6 HB2 CYS 6 0.581 3.645 4.214 41 HB3 CYS 6 HB1 CYS 6 2.239 3.178 4.578 42 H ASN 7 HN ASN 7 1.650 0.620 1.070 43 HA ASN 7 HA ASN 7 4.515 0.235 1.072 44 HB2 ASN 7 HB2 ASN 7 2.117 -0.936 -0.200 45 HB3 ASN 7 HB1 ASN 7 3.707 -1.233 -0.925 46 HD21 ASN 7 HD21 ASN 7 5.188 -2.506 0.155 47 HD22 ASN 7 HD22 ASN 7 4.771 -3.466 1.529 48 HA PRO 8 HA PRO 8 5.067 3.015 -2.386 49 HB2 PRO 8 HB2 PRO 8 7.661 2.478 -3.030 50 HB3 PRO 8 HB1 PRO 8 7.226 3.449 -1.616 51 HG2 PRO 8 HG2 PRO 8 8.107 0.614 -1.748 52 HG3 PRO 8 HG1 PRO 8 8.411 1.832 -0.497 53 HD2 PRO 8 HD2 PRO 8 6.513 -0.186 -0.318 54 HD3 PRO 8 HD1 PRO 8 6.512 1.306 0.640 55 H ALA 9 HN ALA 9 3.583 2.028 -3.354 56 HA ALA 9 HA ALA 9 2.578 1.294 -5.092 57 HB1 ALA 9 HB1 ALA 9 3.700 0.924 -7.219 58 HB2 ALA 9 HB2 ALA 9 5.255 0.855 -6.390 59 HB3 ALA 9 HB3 ALA 9 4.333 2.358 -6.411 60 H CY1 10 HN ACM 10 3.581 -0.684 -2.917 61 HA CY1 10 HA ACM 10 3.782 -3.152 -4.486 62 HB2 CY1 10 HB1 ACM 10 5.072 -2.611 -2.173 63 HB3 CY1 10 HB2 ACM 10 3.536 -2.803 -1.582 64 HD2 CY1 10 HAG ACM 10 5.559 -6.357 -3.973 65 HD3 CY1 10 HKL ACM 10 6.049 -4.654 -4.108 66 HE CY1 10 HAH ACM 10 3.319 -5.579 -4.814 67 HM1 CY1 10 HAJ ACM 10 3.307 -5.070 -7.764 68 HM2 CY1 10 HKM ACM 10 3.303 -3.301 -7.561 69 HM3 CY1 10 HKN ACM 10 2.317 -4.320 -6.488 70 H THR 11 HN THR 11 1.960 -1.978 -1.802 71 HA THR 11 HA THR 11 -0.090 -2.172 -1.039 72 HB THR 11 HB THR 11 -1.063 -3.039 -3.683 73 HG1 THR 11 HG1 THR 11 0.254 -0.862 -3.292 74 HG21 THR 11 HG21 THR 11 -2.813 -3.163 -2.074 75 HG22 THR 11 HG22 THR 11 -3.096 -1.695 -3.010 76 HG23 THR 11 HG23 THR 11 -2.375 -1.592 -1.405 77 H GLY 12 HN GLY 12 0.886 -3.699 0.162 78 HA2 GLY 12 HA2 GLY 12 -0.796 -5.907 0.529 79 HA3 GLY 12 HA1 GLY 12 0.634 -6.378 -0.340 80 H CYS 13 HN CYS 13 0.769 -3.946 1.889 81 HA CYS 13 HA CYS 13 1.939 -3.514 3.782 82 HB2 CYS 13 HB2 CYS 13 0.468 -6.015 4.382 83 HB3 CYS 13 HB1 CYS 13 1.750 -5.571 5.504 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 -3.211 4.428 2.175 2 H2 CYS 1 HT2 CYS 1 -1.887 5.083 2.998 3 H3 CYS 1 HT3 CYS 1 -1.776 3.542 2.310 4 HA CYS 1 HA CYS 1 -2.122 6.080 0.822 5 HB2 CYS 1 HB2 CYS 1 0.287 4.263 0.818 6 HB3 CYS 1 HB1 CYS 1 0.155 5.885 0.151 7 H CY1 2 HN ACM 2 -1.152 3.278 -0.073 8 HA CY1 2 HA ACM 2 -2.436 2.538 -2.102 9 HB2 CY1 2 HB1 ACM 2 -1.437 0.170 -0.631 10 HB3 CY1 2 HB2 ACM 2 -1.759 0.387 -2.249 11 HD2 CY1 2 HAG ACM 2 -0.110 1.964 -3.878 12 HD3 CY1 2 HKL ACM 2 -0.564 3.423 -2.865 13 HE CY1 2 HAH ACM 2 2.180 2.891 -2.708 14 HM1 CY1 2 HAJ ACM 2 3.173 5.502 -3.788 15 HM2 CY1 2 HKM ACM 2 3.217 4.905 -5.465 16 HM3 CY1 2 HKN ACM 2 3.741 3.849 -4.134 17 H GLU 3 HN GLU 3 -3.093 0.163 0.461 18 HA GLU 3 HA GLU 3 -5.983 0.471 0.077 19 HB2 GLU 3 HB2 GLU 3 -4.801 -1.396 -1.408 20 HB3 GLU 3 HB1 GLU 3 -4.921 -2.327 0.089 21 HG2 GLU 3 HG2 GLU 3 -7.333 -1.993 0.115 22 HG3 GLU 3 HG1 GLU 3 -7.226 -1.025 -1.355 23 H LEU 4 HN LEU 4 -3.656 -1.678 1.777 24 HA LEU 4 HA LEU 4 -4.842 -0.929 4.301 25 HB2 LEU 4 HB2 LEU 4 -4.499 -3.771 3.390 26 HB3 LEU 4 HB1 LEU 4 -4.807 -3.325 5.056 27 HG LEU 4 HG LEU 4 -6.747 -2.391 2.997 28 HD11 LEU 4 HD11 LEU 4 -7.957 -4.521 3.117 29 HD12 LEU 4 HD12 LEU 4 -6.612 -5.226 4.014 30 HD13 LEU 4 HD13 LEU 4 -6.381 -4.700 2.346 31 HD21 LEU 4 HD21 LEU 4 -7.030 -3.450 5.810 32 HD22 LEU 4 HD22 LEU 4 -8.330 -2.790 4.818 33 HD23 LEU 4 HD23 LEU 4 -7.007 -1.749 5.342 34 H CYS 5 HN CYS 5 -2.626 0.078 3.331 35 HA CYS 5 HA CYS 5 -0.945 -0.126 5.447 36 HB2 CYS 5 HB2 CYS 5 -0.700 -2.189 3.568 37 HB3 CYS 5 HB1 CYS 5 0.709 -1.137 3.319 38 H CYS 6 HN CYS 6 1.373 0.357 3.887 39 HA CYS 6 HA CYS 6 0.799 2.390 2.029 40 HB2 CYS 6 HB2 CYS 6 0.743 3.642 4.211 41 HB3 CYS 6 HB1 CYS 6 2.422 3.184 4.469 42 H ASN 7 HN ASN 7 1.614 0.526 1.086 43 HA ASN 7 HA ASN 7 4.448 0.020 1.023 44 HB2 ASN 7 HB2 ASN 7 1.987 -0.991 -0.287 45 HB3 ASN 7 HB1 ASN 7 3.558 -1.354 -1.013 46 HD21 ASN 7 HD21 ASN 7 2.830 -1.095 2.439 47 HD22 ASN 7 HD22 ASN 7 3.170 -2.746 2.817 48 HA PRO 8 HA PRO 8 5.119 2.928 -2.317 49 HB2 PRO 8 HB2 PRO 8 7.707 2.331 -2.940 50 HB3 PRO 8 HB1 PRO 8 7.278 3.280 -1.508 51 HG2 PRO 8 HG2 PRO 8 8.075 0.423 -1.698 52 HG3 PRO 8 HG1 PRO 8 8.399 1.602 -0.414 53 HD2 PRO 8 HD2 PRO 8 6.445 -0.359 -0.298 54 HD3 PRO 8 HD1 PRO 8 6.463 1.119 0.681 55 H ALA 9 HN ALA 9 3.641 2.066 -3.369 56 HA ALA 9 HA ALA 9 2.627 1.367 -5.118 57 HB1 ALA 9 HB1 ALA 9 5.319 0.947 -6.397 58 HB2 ALA 9 HB2 ALA 9 4.405 2.455 -6.389 59 HB3 ALA 9 HB3 ALA 9 3.776 1.049 -7.246 60 H CY1 10 HN ACM 10 3.548 -0.662 -2.994 61 HA CY1 10 HA ACM 10 3.777 -3.092 -4.618 62 HB2 CY1 10 HB1 ACM 10 5.077 -2.562 -2.278 63 HB3 CY1 10 HB2 ACM 10 3.557 -2.898 -1.708 64 HD2 CY1 10 HAG ACM 10 5.226 -4.752 -0.221 65 HD3 CY1 10 HKL ACM 10 6.608 -4.371 -1.272 66 HE CY1 10 HAH ACM 10 5.891 -7.081 -1.622 67 HM1 CY1 10 HAJ ACM 10 8.575 -8.326 0.364 68 HM2 CY1 10 HKM ACM 10 7.490 -8.637 -1.014 69 HM3 CY1 10 HKN ACM 10 6.879 -8.787 0.650 70 H THR 11 HN THR 11 1.995 -2.017 -1.873 71 HA THR 11 HA THR 11 -0.077 -2.171 -1.134 72 HB THR 11 HB THR 11 -1.033 -3.060 -3.776 73 HG1 THR 11 HG1 THR 11 -1.480 -0.666 -3.981 74 HG21 THR 11 HG21 THR 11 -2.803 -3.251 -2.222 75 HG22 THR 11 HG22 THR 11 -3.097 -1.734 -3.073 76 HG23 THR 11 HG23 THR 11 -2.384 -1.718 -1.460 77 H GLY 12 HN GLY 12 0.845 -3.659 0.110 78 HA2 GLY 12 HA2 GLY 12 -0.779 -5.902 0.452 79 HA3 GLY 12 HA1 GLY 12 0.669 -6.353 -0.401 80 H CYS 13 HN CYS 13 0.699 -3.911 1.836 81 HA CYS 13 HA CYS 13 1.823 -3.448 3.749 82 HB2 CYS 13 HB2 CYS 13 0.444 -6.002 4.298 83 HB3 CYS 13 HB1 CYS 13 1.728 -5.570 5.422 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 -3.394 4.069 2.692 2 H2 CYS 1 HT2 CYS 1 -2.238 4.626 3.795 3 H3 CYS 1 HT3 CYS 1 -1.890 3.302 2.802 4 HA CYS 1 HA CYS 1 -2.376 6.071 1.872 5 HB2 CYS 1 HB2 CYS 1 0.227 4.549 1.772 6 HB3 CYS 1 HB1 CYS 1 -0.039 6.265 1.488 7 H CY1 2 HN ACM 2 -0.937 3.544 0.569 8 HA CY1 2 HA ACM 2 -1.878 3.277 -1.771 9 HB2 CY1 2 HB1 ACM 2 0.105 1.846 -0.818 10 HB3 CY1 2 HB2 ACM 2 -1.140 0.839 -0.347 11 HD2 CY1 2 HAG ACM 2 0.855 2.415 -3.382 12 HD3 CY1 2 HKL ACM 2 0.003 1.814 -4.889 13 HE CY1 2 HAH ACM 2 -1.136 3.577 -2.836 14 HM1 CY1 2 HAJ ACM 2 -3.430 4.805 -5.271 15 HM2 CY1 2 HKM ACM 2 -2.064 5.772 -4.662 16 HM3 CY1 2 HKN ACM 2 -2.997 4.751 -3.544 17 H GLU 3 HN GLU 3 -2.874 0.595 0.364 18 HA GLU 3 HA GLU 3 -5.646 0.835 -0.465 19 HB2 GLU 3 HB2 GLU 3 -4.228 -0.685 -2.126 20 HB3 GLU 3 HB1 GLU 3 -4.484 -1.896 -0.865 21 HG2 GLU 3 HG2 GLU 3 -6.899 -1.601 -1.071 22 HG3 GLU 3 HG1 GLU 3 -6.649 -0.378 -2.316 23 H LEU 4 HN LEU 4 -3.398 -1.474 1.122 24 HA LEU 4 HA LEU 4 -4.981 -1.330 3.528 25 HB2 LEU 4 HB2 LEU 4 -4.841 -3.819 3.836 26 HB3 LEU 4 HB1 LEU 4 -5.943 -3.282 2.586 27 HG LEU 4 HG LEU 4 -3.789 -3.691 1.058 28 HD11 LEU 4 HD11 LEU 4 -2.594 -5.694 1.780 29 HD12 LEU 4 HD12 LEU 4 -3.464 -5.665 3.314 30 HD13 LEU 4 HD13 LEU 4 -2.349 -4.361 2.909 31 HD21 LEU 4 HD21 LEU 4 -4.710 -5.905 0.542 32 HD22 LEU 4 HD22 LEU 4 -5.977 -4.690 0.715 33 HD23 LEU 4 HD23 LEU 4 -5.674 -5.841 2.017 34 H CYS 5 HN CYS 5 -2.625 -0.131 2.886 35 HA CYS 5 HA CYS 5 -1.296 -0.449 5.236 36 HB2 CYS 5 HB2 CYS 5 -0.722 -2.393 3.348 37 HB3 CYS 5 HB1 CYS 5 0.655 -1.285 3.262 38 H CYS 6 HN CYS 6 1.231 0.145 3.939 39 HA CYS 6 HA CYS 6 0.740 2.363 2.292 40 HB2 CYS 6 HB2 CYS 6 2.101 2.759 4.969 41 HB3 CYS 6 HB1 CYS 6 2.198 3.940 3.667 42 H ASN 7 HN ASN 7 1.534 0.630 1.154 43 HA ASN 7 HA ASN 7 4.427 0.310 1.026 44 HB2 ASN 7 HB2 ASN 7 2.017 -1.037 -0.030 45 HB3 ASN 7 HB1 ASN 7 3.542 -1.225 -0.907 46 HD21 ASN 7 HD21 ASN 7 1.917 -1.751 2.144 47 HD22 ASN 7 HD22 ASN 7 2.988 -2.973 2.729 48 HA PRO 8 HA PRO 8 4.424 3.194 -2.421 49 HB2 PRO 8 HB2 PRO 8 7.090 3.176 -2.989 50 HB3 PRO 8 HB1 PRO 8 6.423 4.081 -1.623 51 HG2 PRO 8 HG2 PRO 8 7.884 1.498 -1.627 52 HG3 PRO 8 HG1 PRO 8 7.870 2.784 -0.408 53 HD2 PRO 8 HD2 PRO 8 6.441 0.404 -0.237 54 HD3 PRO 8 HD1 PRO 8 6.100 1.876 0.691 55 H ALA 9 HN ALA 9 3.214 1.989 -3.474 56 HA ALA 9 HA ALA 9 2.470 1.089 -5.274 57 HB1 ALA 9 HB1 ALA 9 5.289 0.905 -6.307 58 HB2 ALA 9 HB2 ALA 9 4.205 2.282 -6.505 59 HB3 ALA 9 HB3 ALA 9 3.819 0.741 -7.269 60 H CY1 10 HN ACM 10 3.490 -0.641 -2.906 61 HA CY1 10 HA ACM 10 4.028 -3.150 -4.323 62 HB2 CY1 10 HB1 ACM 10 5.228 -2.349 -2.025 63 HB3 CY1 10 HB2 ACM 10 3.723 -2.731 -1.446 64 HD2 CY1 10 HAG ACM 10 6.700 -4.339 -3.715 65 HD3 CY1 10 HKL ACM 10 5.178 -4.820 -4.498 66 HE CY1 10 HAH ACM 10 6.122 -6.981 -2.958 67 HM1 CY1 10 HAJ ACM 10 6.716 -8.887 -4.133 68 HM2 CY1 10 HKM ACM 10 8.422 -8.399 -4.284 69 HM3 CY1 10 HKN ACM 10 7.467 -8.752 -5.742 70 H THR 11 HN THR 11 2.113 -2.129 -1.739 71 HA THR 11 HA THR 11 0.039 -2.329 -1.004 72 HB THR 11 HB THR 11 -0.910 -1.296 -2.966 73 HG1 THR 11 HG1 THR 11 -2.961 -2.493 -3.004 74 HG21 THR 11 HG21 THR 11 -1.693 -2.582 -4.911 75 HG22 THR 11 HG22 THR 11 -0.947 -4.035 -4.246 76 HG23 THR 11 HG23 THR 11 0.060 -2.674 -4.738 77 H GLY 12 HN GLY 12 0.961 -3.859 0.137 78 HA2 GLY 12 HA2 GLY 12 -0.643 -6.158 0.310 79 HA3 GLY 12 HA1 GLY 12 0.877 -6.510 -0.460 80 H CYS 13 HN CYS 13 0.714 -4.155 1.836 81 HA CYS 13 HA CYS 13 1.751 -3.712 3.799 82 HB2 CYS 13 HB2 CYS 13 0.258 -6.225 4.264 83 HB3 CYS 13 HB1 CYS 13 1.448 -5.790 5.488 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 -2.265 4.359 2.282 2 H2 CYS 1 HT2 CYS 1 -3.522 5.224 1.553 3 H3 CYS 1 HT3 CYS 1 -2.312 6.046 2.401 4 HA CYS 1 HA CYS 1 -1.997 6.255 0.022 5 HB2 CYS 1 HB2 CYS 1 0.204 4.412 0.812 6 HB3 CYS 1 HB1 CYS 1 0.288 6.023 0.113 7 H CY1 2 HN ACM 2 -1.135 3.329 0.206 8 HA CY1 2 HA ACM 2 -2.302 1.930 -1.576 9 HB2 CY1 2 HB1 ACM 2 -1.220 0.290 0.650 10 HB3 CY1 2 HB2 ACM 2 -1.531 -0.124 -0.930 11 HD2 CY1 2 HAG ACM 2 1.312 1.674 -2.967 12 HD3 CY1 2 HKL ACM 2 0.117 0.285 -2.931 13 HE CY1 2 HAH ACM 2 -1.054 2.747 -2.204 14 HM1 CY1 2 HAJ ACM 2 -2.102 4.132 -3.822 15 HM2 CY1 2 HKM ACM 2 -3.213 2.792 -4.198 16 HM3 CY1 2 HKN ACM 2 -2.260 3.545 -5.496 17 H GLU 3 HN GLU 3 -3.327 -0.490 -1.080 18 HA GLU 3 HA GLU 3 -5.900 -0.239 -0.259 19 HB2 GLU 3 HB2 GLU 3 -4.265 -2.749 -0.622 20 HB3 GLU 3 HB1 GLU 3 -5.997 -2.801 -0.274 21 HG2 GLU 3 HG2 GLU 3 -4.911 -1.238 -2.595 22 HG3 GLU 3 HG1 GLU 3 -5.235 -2.966 -2.717 23 H LEU 4 HN LEU 4 -3.372 -1.935 1.636 24 HA LEU 4 HA LEU 4 -4.754 -1.261 4.067 25 HB2 LEU 4 HB2 LEU 4 -4.103 -4.104 3.346 26 HB3 LEU 4 HB1 LEU 4 -4.525 -3.591 4.967 27 HG LEU 4 HG LEU 4 -6.449 -3.016 2.758 28 HD11 LEU 4 HD11 LEU 4 -7.462 -5.230 3.044 29 HD12 LEU 4 HD12 LEU 4 -6.107 -5.711 4.064 30 HD13 LEU 4 HD13 LEU 4 -5.839 -5.333 2.363 31 HD21 LEU 4 HD21 LEU 4 -8.076 -3.391 4.547 32 HD22 LEU 4 HD22 LEU 4 -6.885 -2.176 5.011 33 HD23 LEU 4 HD23 LEU 4 -6.768 -3.815 5.652 34 H CYS 5 HN CYS 5 -2.571 -0.111 3.102 35 HA CYS 5 HA CYS 5 -0.974 -0.102 5.311 36 HB2 CYS 5 HB2 CYS 5 -0.487 -2.176 3.507 37 HB3 CYS 5 HB1 CYS 5 0.826 -1.014 3.246 38 H CYS 6 HN CYS 6 1.355 0.527 3.823 39 HA CYS 6 HA CYS 6 0.708 2.490 1.916 40 HB2 CYS 6 HB2 CYS 6 1.769 3.300 4.611 41 HB3 CYS 6 HB1 CYS 6 2.217 4.243 3.195 42 H ASN 7 HN ASN 7 1.671 0.672 1.025 43 HA ASN 7 HA ASN 7 4.550 0.407 1.040 44 HB2 ASN 7 HB2 ASN 7 2.199 -0.949 -0.105 45 HB3 ASN 7 HB1 ASN 7 3.762 -1.166 -0.913 46 HD21 ASN 7 HD21 ASN 7 5.359 -2.344 0.081 47 HD22 ASN 7 HD22 ASN 7 5.098 -3.269 1.516 48 HA PRO 8 HA PRO 8 4.995 3.051 -2.530 49 HB2 PRO 8 HB2 PRO 8 7.587 2.538 -3.202 50 HB3 PRO 8 HB1 PRO 8 7.158 3.550 -1.815 51 HG2 PRO 8 HG2 PRO 8 8.086 0.727 -1.864 52 HG3 PRO 8 HG1 PRO 8 8.394 1.994 -0.663 53 HD2 PRO 8 HD2 PRO 8 6.536 -0.045 -0.370 54 HD3 PRO 8 HD1 PRO 8 6.521 1.485 0.526 55 H ALA 9 HN ALA 9 3.516 2.019 -3.444 56 HA ALA 9 HA ALA 9 2.492 1.207 -5.137 57 HB1 ALA 9 HB1 ALA 9 4.208 2.247 -6.527 58 HB2 ALA 9 HB2 ALA 9 3.589 0.772 -7.268 59 HB3 ALA 9 HB3 ALA 9 5.157 0.761 -6.461 60 H CY1 10 HN ACM 10 3.567 -0.670 -2.912 61 HA CY1 10 HA ACM 10 3.793 -3.199 -4.394 62 HB2 CY1 10 HB1 ACM 10 5.145 -2.524 -2.138 63 HB3 CY1 10 HB2 ACM 10 3.638 -2.774 -1.496 64 HD2 CY1 10 HAG ACM 10 4.852 -4.965 -4.611 65 HD3 CY1 10 HKL ACM 10 5.805 -6.262 -3.856 66 HE CY1 10 HAH ACM 10 6.755 -3.742 -4.635 67 HM1 CY1 10 HAJ ACM 10 8.688 -2.555 -2.663 68 HM2 CY1 10 HKM ACM 10 9.003 -3.324 -4.238 69 HM3 CY1 10 HKN ACM 10 9.787 -3.952 -2.771 70 H THR 11 HN THR 11 2.075 -2.041 -1.744 71 HA THR 11 HA THR 11 0.001 -1.963 -0.969 72 HB THR 11 HB THR 11 -0.912 -0.966 -2.981 73 HG1 THR 11 HG1 THR 11 -2.990 -1.533 -2.595 74 HG21 THR 11 HG21 THR 11 -1.257 -3.773 -4.055 75 HG22 THR 11 HG22 THR 11 -0.143 -2.555 -4.676 76 HG23 THR 11 HG23 THR 11 -1.884 -2.302 -4.800 77 H GLY 12 HN GLY 12 0.753 -3.468 0.281 78 HA2 GLY 12 HA2 GLY 12 -0.985 -5.567 0.735 79 HA3 GLY 12 HA1 GLY 12 0.340 -6.166 -0.220 80 H CYS 13 HN CYS 13 0.755 -3.734 2.005 81 HA CYS 13 HA CYS 13 2.059 -3.376 3.820 82 HB2 CYS 13 HB2 CYS 13 0.581 -5.865 4.496 83 HB3 CYS 13 HB1 CYS 13 1.911 -5.400 5.551 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 -4.021 5.379 1.589 2 H2 CYS 1 HT2 CYS 1 -3.163 5.405 3.047 3 H3 CYS 1 HT3 CYS 1 -3.429 3.937 2.249 4 HA CYS 1 HA CYS 1 -1.801 6.186 1.225 5 HB2 CYS 1 HB2 CYS 1 -1.001 3.508 2.375 6 HB3 CYS 1 HB1 CYS 1 0.108 4.612 1.569 7 H CY1 2 HN ACM 2 -1.439 3.555 0.208 8 HA CY1 2 HA ACM 2 -2.487 3.061 -2.073 9 HB2 CY1 2 HB1 ACM 2 -0.246 1.997 -1.212 10 HB3 CY1 2 HB2 ACM 2 -1.287 0.840 -0.607 11 HD2 CY1 2 HAG ACM 2 -0.821 1.683 -5.253 12 HD3 CY1 2 HKL ACM 2 -1.728 2.801 -4.118 13 HE CY1 2 HAH ACM 2 1.143 2.193 -4.000 14 HM1 CY1 2 HAJ ACM 2 2.165 5.014 -4.109 15 HM2 CY1 2 HKM ACM 2 2.380 3.779 -2.844 16 HM3 CY1 2 HKN ACM 2 1.662 5.353 -2.434 17 H GLU 3 HN GLU 3 -2.911 0.394 0.246 18 HA GLU 3 HA GLU 3 -5.758 0.193 -0.428 19 HB2 GLU 3 HB2 GLU 3 -4.090 -1.327 -1.854 20 HB3 GLU 3 HB1 GLU 3 -4.213 -2.364 -0.429 21 HG2 GLU 3 HG2 GLU 3 -6.621 -2.476 -0.688 22 HG3 GLU 3 HG1 GLU 3 -6.548 -1.370 -2.058 23 H LEU 4 HN LEU 4 -3.265 -1.649 1.413 24 HA LEU 4 HA LEU 4 -4.713 -1.209 3.858 25 HB2 LEU 4 HB2 LEU 4 -4.214 -3.954 2.755 26 HB3 LEU 4 HB1 LEU 4 -4.578 -3.667 4.445 27 HG LEU 4 HG LEU 4 -6.504 -2.604 2.446 28 HD11 LEU 4 HD11 LEU 4 -7.626 -4.787 2.296 29 HD12 LEU 4 HD12 LEU 4 -6.256 -5.533 3.120 30 HD13 LEU 4 HD13 LEU 4 -6.037 -4.797 1.532 31 HD21 LEU 4 HD21 LEU 4 -6.807 -4.001 5.105 32 HD22 LEU 4 HD22 LEU 4 -8.108 -3.272 4.163 33 HD23 LEU 4 HD23 LEU 4 -6.837 -2.256 4.845 34 H CYS 5 HN CYS 5 -2.455 -0.058 3.137 35 HA CYS 5 HA CYS 5 -0.950 -0.382 5.380 36 HB2 CYS 5 HB2 CYS 5 -0.477 -2.286 3.411 37 HB3 CYS 5 HB1 CYS 5 0.878 -1.154 3.277 38 H CYS 6 HN CYS 6 1.471 0.279 4.023 39 HA CYS 6 HA CYS 6 0.949 2.480 2.363 40 HB2 CYS 6 HB2 CYS 6 2.399 3.007 4.979 41 HB3 CYS 6 HB1 CYS 6 2.177 4.185 3.692 42 H ASN 7 HN ASN 7 1.807 0.779 1.253 43 HA ASN 7 HA ASN 7 4.722 0.595 1.176 44 HB2 ASN 7 HB2 ASN 7 2.422 -0.992 0.234 45 HB3 ASN 7 HB1 ASN 7 3.984 -1.155 -0.586 46 HD21 ASN 7 HD21 ASN 7 2.257 -1.611 2.397 47 HD22 ASN 7 HD22 ASN 7 3.411 -2.656 3.145 48 HA PRO 8 HA PRO 8 4.633 3.176 -2.451 49 HB2 PRO 8 HB2 PRO 8 7.242 2.982 -3.215 50 HB3 PRO 8 HB1 PRO 8 6.732 3.984 -1.849 51 HG2 PRO 8 HG2 PRO 8 8.019 1.304 -1.835 52 HG3 PRO 8 HG1 PRO 8 8.211 2.655 -0.702 53 HD2 PRO 8 HD2 PRO 8 6.654 0.418 -0.227 54 HD3 PRO 8 HD1 PRO 8 6.458 1.982 0.585 55 H ALA 9 HN ALA 9 3.288 2.021 -3.360 56 HA ALA 9 HA ALA 9 2.348 1.072 -5.036 57 HB1 ALA 9 HB1 ALA 9 5.053 0.803 -6.325 58 HB2 ALA 9 HB2 ALA 9 3.992 2.207 -6.439 59 HB3 ALA 9 HB3 ALA 9 3.495 0.668 -7.142 60 H CY1 10 HN ACM 10 3.594 -0.674 -2.732 61 HA CY1 10 HA ACM 10 4.078 -3.186 -4.138 62 HB2 CY1 10 HB1 ACM 10 5.121 -2.446 -1.785 63 HB3 CY1 10 HB2 ACM 10 3.556 -2.696 -1.295 64 HD2 CY1 10 HAG ACM 10 4.601 -4.354 0.574 65 HD3 CY1 10 HKL ACM 10 6.254 -4.211 -0.060 66 HE CY1 10 HAH ACM 10 6.085 -6.222 1.276 67 HM1 CY1 10 HAJ ACM 10 5.936 -9.324 -0.453 68 HM2 CY1 10 HKM ACM 10 4.881 -8.951 0.932 69 HM3 CY1 10 HKN ACM 10 6.584 -8.442 0.951 70 H THR 11 HN THR 11 1.948 -2.088 -1.753 71 HA THR 11 HA THR 11 -0.161 -2.303 -1.166 72 HB THR 11 HB THR 11 -0.964 -1.368 -3.245 73 HG1 THR 11 HG1 THR 11 -2.386 -2.748 -1.707 74 HG21 THR 11 HG21 THR 11 -0.890 -4.167 -4.390 75 HG22 THR 11 HG22 THR 11 0.148 -2.823 -4.868 76 HG23 THR 11 HG23 THR 11 -1.587 -2.751 -5.178 77 H GLY 12 HN GLY 12 0.703 -3.768 0.109 78 HA2 GLY 12 HA2 GLY 12 -0.891 -5.982 0.493 79 HA3 GLY 12 HA1 GLY 12 0.486 -6.486 -0.443 80 H CYS 13 HN CYS 13 0.715 -4.063 1.817 81 HA CYS 13 HA CYS 13 1.994 -3.646 3.638 82 HB2 CYS 13 HB2 CYS 13 0.572 -6.171 4.302 83 HB3 CYS 13 HB1 CYS 13 1.863 -5.658 5.383 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 -2.200 4.935 3.297 2 H2 CYS 1 HT2 CYS 1 -1.999 3.442 2.527 3 H3 CYS 1 HT3 CYS 1 -3.482 4.249 2.430 4 HA CYS 1 HA CYS 1 -2.500 6.025 1.169 5 HB2 CYS 1 HB2 CYS 1 0.038 4.395 1.082 6 HB3 CYS 1 HB1 CYS 1 -0.210 6.049 0.537 7 H CY1 2 HN ACM 2 -1.241 3.490 0.011 8 HA CY1 2 HA ACM 2 -2.269 2.587 -1.988 9 HB2 CY1 2 HB1 ACM 2 -1.448 0.183 -0.465 10 HB3 CY1 2 HB2 ACM 2 -1.641 0.416 -2.100 11 HD2 CY1 2 HAG ACM 2 1.469 2.485 -3.187 12 HD3 CY1 2 HKL ACM 2 -0.221 1.896 -3.584 13 HE CY1 2 HAH ACM 2 -0.467 3.849 -1.690 14 HM1 CY1 2 HAJ ACM 2 -1.092 6.497 -3.993 15 HM2 CY1 2 HKM ACM 2 0.125 6.626 -2.700 16 HM3 CY1 2 HKN ACM 2 -1.434 5.836 -2.376 17 H GLU 3 HN GLU 3 -3.114 0.103 0.347 18 HA GLU 3 HA GLU 3 -5.999 0.574 0.032 19 HB2 GLU 3 HB2 GLU 3 -4.519 -1.959 -0.682 20 HB3 GLU 3 HB1 GLU 3 -6.239 -1.973 -0.276 21 HG2 GLU 3 HG2 GLU 3 -6.652 -0.384 -2.112 22 HG3 GLU 3 HG1 GLU 3 -4.944 -0.465 -2.541 23 H LEU 4 HN LEU 4 -3.566 -1.502 1.640 24 HA LEU 4 HA LEU 4 -4.895 -1.092 4.162 25 HB2 LEU 4 HB2 LEU 4 -4.216 -3.837 3.149 26 HB3 LEU 4 HB1 LEU 4 -4.758 -3.484 4.777 27 HG LEU 4 HG LEU 4 -6.787 -2.429 3.263 28 HD11 LEU 4 HD11 LEU 4 -5.610 -3.531 1.283 29 HD12 LEU 4 HD12 LEU 4 -7.330 -3.854 1.492 30 HD13 LEU 4 HD13 LEU 4 -6.141 -5.062 1.980 31 HD21 LEU 4 HD21 LEU 4 -6.543 -5.219 4.381 32 HD22 LEU 4 HD22 LEU 4 -8.052 -4.405 3.971 33 HD23 LEU 4 HD23 LEU 4 -7.037 -3.778 5.270 34 H CYS 5 HN CYS 5 -2.598 0.003 3.097 35 HA CYS 5 HA CYS 5 -1.017 -0.128 5.321 36 HB2 CYS 5 HB2 CYS 5 -0.679 -2.182 3.465 37 HB3 CYS 5 HB1 CYS 5 0.720 -1.115 3.239 38 H CYS 6 HN CYS 6 1.352 0.377 3.830 39 HA CYS 6 HA CYS 6 0.830 2.421 1.973 40 HB2 CYS 6 HB2 CYS 6 2.095 3.140 4.631 41 HB3 CYS 6 HB1 CYS 6 2.289 4.147 3.200 42 H ASN 7 HN ASN 7 1.686 0.596 1.037 43 HA ASN 7 HA ASN 7 4.546 0.167 1.051 44 HB2 ASN 7 HB2 ASN 7 2.155 -0.974 -0.281 45 HB3 ASN 7 HB1 ASN 7 3.779 -1.354 -0.884 46 HD21 ASN 7 HD21 ASN 7 5.182 -2.557 0.419 47 HD22 ASN 7 HD22 ASN 7 4.613 -3.481 1.764 48 HA PRO 8 HA PRO 8 5.138 2.963 -2.385 49 HB2 PRO 8 HB2 PRO 8 7.736 2.406 -3.004 50 HB3 PRO 8 HB1 PRO 8 7.290 3.394 -1.605 51 HG2 PRO 8 HG2 PRO 8 8.152 0.551 -1.696 52 HG3 PRO 8 HG1 PRO 8 8.458 1.784 -0.459 53 HD2 PRO 8 HD2 PRO 8 6.552 -0.213 -0.250 54 HD3 PRO 8 HD1 PRO 8 6.534 1.307 0.662 55 H ALA 9 HN ALA 9 3.681 2.051 -3.414 56 HA ALA 9 HA ALA 9 2.681 1.297 -5.144 57 HB1 ALA 9 HB1 ALA 9 5.376 0.886 -6.419 58 HB2 ALA 9 HB2 ALA 9 4.441 2.381 -6.437 59 HB3 ALA 9 HB3 ALA 9 3.829 0.949 -7.264 60 H CY1 10 HN ACM 10 3.665 -0.685 -2.974 61 HA CY1 10 HA ACM 10 3.883 -3.144 -4.557 62 HB2 CY1 10 HB1 ACM 10 5.163 -2.593 -2.219 63 HB3 CY1 10 HB2 ACM 10 3.629 -2.869 -1.649 64 HD2 CY1 10 HAG ACM 10 5.118 -4.767 -0.060 65 HD3 CY1 10 HKL ACM 10 6.558 -4.389 -1.031 66 HE CY1 10 HAH ACM 10 5.920 -7.089 -1.443 67 HM1 CY1 10 HAJ ACM 10 6.614 -8.866 -0.130 68 HM2 CY1 10 HKM ACM 10 7.496 -8.571 1.390 69 HM3 CY1 10 HKN ACM 10 8.326 -8.374 -0.171 70 H THR 11 HN THR 11 2.083 -2.005 -1.853 71 HA THR 11 HA THR 11 0.015 -2.146 -1.110 72 HB THR 11 HB THR 11 -0.926 -2.937 -3.791 73 HG1 THR 11 HG1 THR 11 0.051 -1.055 -4.232 74 HG21 THR 11 HG21 THR 11 -2.300 -1.709 -1.431 75 HG22 THR 11 HG22 THR 11 -2.745 -3.167 -2.318 76 HG23 THR 11 HG23 THR 11 -2.972 -1.582 -3.055 77 H GLY 12 HN GLY 12 0.931 -3.694 0.094 78 HA2 GLY 12 HA2 GLY 12 -0.795 -5.888 0.379 79 HA3 GLY 12 HA1 GLY 12 0.678 -6.361 -0.417 80 H CYS 13 HN CYS 13 0.725 -3.931 1.812 81 HA CYS 13 HA CYS 13 1.802 -3.508 3.762 82 HB2 CYS 13 HB2 CYS 13 0.243 -5.957 4.277 83 HB3 CYS 13 HB1 CYS 13 1.530 -5.634 5.432 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 -3.108 4.020 2.524 2 H2 CYS 1 HT2 CYS 1 -1.919 4.702 3.516 3 H3 CYS 1 HT3 CYS 1 -1.559 3.338 2.582 4 HA CYS 1 HA CYS 1 -2.247 6.018 1.526 5 HB2 CYS 1 HB2 CYS 1 0.414 4.604 1.358 6 HB3 CYS 1 HB1 CYS 1 0.052 6.278 0.955 7 H CY1 2 HN ACM 2 -0.797 3.557 0.252 8 HA CY1 2 HA ACM 2 -1.781 3.038 -1.974 9 HB2 CY1 2 HB1 ACM 2 0.257 1.700 -0.977 10 HB3 CY1 2 HB2 ACM 2 -0.961 0.681 -0.462 11 HD2 CY1 2 HAG ACM 2 0.763 2.366 -3.594 12 HD3 CY1 2 HKL ACM 2 0.001 1.576 -5.062 13 HE CY1 2 HAH ACM 2 -0.967 3.733 -3.583 14 HM1 CY1 2 HAJ ACM 2 -4.449 3.282 -4.230 15 HM2 CY1 2 HKM ACM 2 -3.400 4.323 -5.224 16 HM3 CY1 2 HKN ACM 2 -3.212 4.304 -3.456 17 H GLU 3 HN GLU 3 -2.720 0.535 0.400 18 HA GLU 3 HA GLU 3 -5.441 0.561 -0.501 19 HB2 GLU 3 HB2 GLU 3 -4.041 -0.998 -2.111 20 HB3 GLU 3 HB1 GLU 3 -4.192 -2.154 -0.784 21 HG2 GLU 3 HG2 GLU 3 -5.985 -2.686 -2.148 22 HG3 GLU 3 HG1 GLU 3 -6.721 -1.641 -0.935 23 H LEU 4 HN LEU 4 -3.308 -1.856 1.105 24 HA LEU 4 HA LEU 4 -4.844 -1.503 3.539 25 HB2 LEU 4 HB2 LEU 4 -4.069 -4.119 2.298 26 HB3 LEU 4 HB1 LEU 4 -4.583 -3.981 3.967 27 HG LEU 4 HG LEU 4 -6.688 -2.812 2.766 28 HD11 LEU 4 HD11 LEU 4 -5.803 -3.135 0.520 29 HD12 LEU 4 HD12 LEU 4 -7.276 -4.072 0.760 30 HD13 LEU 4 HD13 LEU 4 -5.705 -4.872 0.797 31 HD21 LEU 4 HD21 LEU 4 -6.259 -5.773 3.141 32 HD22 LEU 4 HD22 LEU 4 -7.825 -4.979 2.975 33 HD23 LEU 4 HD23 LEU 4 -6.802 -4.628 4.368 34 H CYS 5 HN CYS 5 -2.604 -0.195 2.984 35 HA CYS 5 HA CYS 5 -1.235 -0.481 5.315 36 HB2 CYS 5 HB2 CYS 5 -0.544 -2.336 3.375 37 HB3 CYS 5 HB1 CYS 5 0.749 -1.132 3.296 38 H CYS 6 HN CYS 6 1.231 0.305 4.044 39 HA CYS 6 HA CYS 6 0.631 2.522 2.421 40 HB2 CYS 6 HB2 CYS 6 0.455 3.495 4.718 41 HB3 CYS 6 HB1 CYS 6 2.113 2.994 5.032 42 H ASN 7 HN ASN 7 1.502 0.843 1.272 43 HA ASN 7 HA ASN 7 4.413 0.642 1.169 44 HB2 ASN 7 HB2 ASN 7 2.086 -0.880 0.149 45 HB3 ASN 7 HB1 ASN 7 3.679 -1.082 -0.595 46 HD21 ASN 7 HD21 ASN 7 5.297 -2.117 0.526 47 HD22 ASN 7 HD22 ASN 7 5.022 -2.976 1.999 48 HA PRO 8 HA PRO 8 4.259 3.258 -2.462 49 HB2 PRO 8 HB2 PRO 8 6.907 3.289 -3.084 50 HB3 PRO 8 HB1 PRO 8 6.247 4.239 -1.745 51 HG2 PRO 8 HG2 PRO 8 7.774 1.693 -1.666 52 HG3 PRO 8 HG1 PRO 8 7.767 3.040 -0.514 53 HD2 PRO 8 HD2 PRO 8 6.395 0.643 -0.180 54 HD3 PRO 8 HD1 PRO 8 6.049 2.154 0.682 55 H ALA 9 HN ALA 9 3.072 1.999 -3.453 56 HA ALA 9 HA ALA 9 2.331 0.991 -5.197 57 HB1 ALA 9 HB1 ALA 9 4.046 2.161 -6.485 58 HB2 ALA 9 HB2 ALA 9 3.671 0.585 -7.184 59 HB3 ALA 9 HB3 ALA 9 5.145 0.803 -6.242 60 H CY1 10 HN ACM 10 3.439 -0.639 -2.743 61 HA CY1 10 HA ACM 10 4.051 -3.177 -4.057 62 HB2 CY1 10 HB1 ACM 10 5.025 -2.325 -1.706 63 HB3 CY1 10 HB2 ACM 10 3.462 -2.625 -1.241 64 HD2 CY1 10 HAG ACM 10 6.602 -4.497 -3.114 65 HD3 CY1 10 HKL ACM 10 5.125 -4.880 -4.025 66 HE CY1 10 HAH ACM 10 5.804 -7.037 -3.954 67 HM1 CY1 10 HAJ ACM 10 7.164 -8.813 -3.339 68 HM2 CY1 10 HKM ACM 10 6.199 -9.180 -1.889 69 HM3 CY1 10 HKN ACM 10 7.937 -8.837 -1.735 70 H THR 11 HN THR 11 1.840 -2.070 -1.746 71 HA THR 11 HA THR 11 -0.276 -2.326 -1.205 72 HB THR 11 HB THR 11 -1.075 -1.475 -3.315 73 HG1 THR 11 HG1 THR 11 -2.633 -2.459 -1.922 74 HG21 THR 11 HG21 THR 11 -1.576 -2.907 -5.243 75 HG22 THR 11 HG22 THR 11 -0.856 -4.286 -4.412 76 HG23 THR 11 HG23 THR 11 0.150 -2.914 -4.878 77 H GLY 12 HN GLY 12 0.583 -3.728 0.138 78 HA2 GLY 12 HA2 GLY 12 -0.945 -5.947 0.596 79 HA3 GLY 12 HA1 GLY 12 0.402 -6.477 -0.368 80 H CYS 13 HN CYS 13 0.685 -4.005 1.848 81 HA CYS 13 HA CYS 13 1.988 -3.565 3.649 82 HB2 CYS 13 HB2 CYS 13 0.709 -6.173 4.355 83 HB3 CYS 13 HB1 CYS 13 1.937 -5.508 5.428 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 -2.789 5.404 2.978 2 H2 CYS 1 HT2 CYS 1 -2.844 3.831 2.359 3 H3 CYS 1 HT3 CYS 1 -3.904 5.009 1.768 4 HA CYS 1 HA CYS 1 -2.087 6.253 0.834 5 HB2 CYS 1 HB2 CYS 1 -0.315 3.965 1.662 6 HB3 CYS 1 HB1 CYS 1 0.176 5.488 0.938 7 H CY1 2 HN ACM 2 -1.369 3.399 0.170 8 HA CY1 2 HA ACM 2 -2.453 2.697 -2.035 9 HB2 CY1 2 HB1 ACM 2 -1.380 0.367 -0.555 10 HB3 CY1 2 HB2 ACM 2 -1.604 0.610 -2.185 11 HD2 CY1 2 HAG ACM 2 0.022 2.375 -3.648 12 HD3 CY1 2 HKL ACM 2 -0.623 3.749 -2.620 13 HE CY1 2 HAH ACM 2 1.723 4.212 -2.109 14 HM1 CY1 2 HAJ ACM 2 3.193 5.523 -4.381 15 HM2 CY1 2 HKM ACM 2 4.114 4.043 -4.744 16 HM3 CY1 2 HKN ACM 2 3.811 4.509 -3.054 17 H GLU 3 HN GLU 3 -3.156 0.363 0.562 18 HA GLU 3 HA GLU 3 -6.012 0.442 0.016 19 HB2 GLU 3 HB2 GLU 3 -4.604 -1.335 -1.476 20 HB3 GLU 3 HB1 GLU 3 -4.944 -2.323 -0.050 21 HG2 GLU 3 HG2 GLU 3 -7.317 -1.949 -0.323 22 HG3 GLU 3 HG1 GLU 3 -7.017 -0.867 -1.682 23 H LEU 4 HN LEU 4 -3.527 -1.544 1.679 24 HA LEU 4 HA LEU 4 -4.821 -1.067 4.206 25 HB2 LEU 4 HB2 LEU 4 -5.695 -3.248 3.112 26 HB3 LEU 4 HB1 LEU 4 -4.111 -3.886 3.498 27 HG LEU 4 HG LEU 4 -4.751 -3.055 5.937 28 HD11 LEU 4 HD11 LEU 4 -7.432 -3.591 4.664 29 HD12 LEU 4 HD12 LEU 4 -6.870 -2.040 5.288 30 HD13 LEU 4 HD13 LEU 4 -7.131 -3.393 6.390 31 HD21 LEU 4 HD21 LEU 4 -5.800 -5.578 4.660 32 HD22 LEU 4 HD22 LEU 4 -5.594 -5.314 6.392 33 HD23 LEU 4 HD23 LEU 4 -4.186 -5.339 5.330 34 H CYS 5 HN CYS 5 -2.563 0.018 3.213 35 HA CYS 5 HA CYS 5 -0.941 -0.173 5.381 36 HB2 CYS 5 HB2 CYS 5 -0.625 -2.215 3.494 37 HB3 CYS 5 HB1 CYS 5 0.777 -1.145 3.282 38 H CYS 6 HN CYS 6 1.413 0.352 3.895 39 HA CYS 6 HA CYS 6 0.877 2.394 2.039 40 HB2 CYS 6 HB2 CYS 6 2.327 3.156 4.599 41 HB3 CYS 6 HB1 CYS 6 2.173 4.197 3.189 42 H ASN 7 HN ASN 7 1.705 0.585 1.094 43 HA ASN 7 HA ASN 7 4.562 0.135 1.056 44 HB2 ASN 7 HB2 ASN 7 2.150 -0.968 -0.294 45 HB3 ASN 7 HB1 ASN 7 3.783 -1.407 -0.829 46 HD21 ASN 7 HD21 ASN 7 5.087 -2.647 0.527 47 HD22 ASN 7 HD22 ASN 7 4.446 -3.520 1.874 48 HA PRO 8 HA PRO 8 5.093 2.962 -2.370 49 HB2 PRO 8 HB2 PRO 8 7.674 2.397 -3.050 50 HB3 PRO 8 HB1 PRO 8 7.265 3.369 -1.628 51 HG2 PRO 8 HG2 PRO 8 8.104 0.521 -1.777 52 HG3 PRO 8 HG1 PRO 8 8.448 1.734 -0.532 53 HD2 PRO 8 HD2 PRO 8 6.533 -0.250 -0.305 54 HD3 PRO 8 HD1 PRO 8 6.547 1.258 0.628 55 H ALA 9 HN ALA 9 3.604 2.051 -3.363 56 HA ALA 9 HA ALA 9 2.556 1.305 -5.069 57 HB1 ALA 9 HB1 ALA 9 3.643 0.992 -7.228 58 HB2 ALA 9 HB2 ALA 9 5.214 0.927 -6.431 59 HB3 ALA 9 HB3 ALA 9 4.273 2.418 -6.403 60 H CY1 10 HN ACM 10 3.633 -0.690 -2.956 61 HA CY1 10 HA ACM 10 3.885 -3.135 -4.559 62 HB2 CY1 10 HB1 ACM 10 5.170 -2.580 -2.224 63 HB3 CY1 10 HB2 ACM 10 3.643 -2.877 -1.648 64 HD2 CY1 10 HAG ACM 10 5.131 -4.701 -0.073 65 HD3 CY1 10 HKL ACM 10 6.600 -4.431 -1.036 66 HE CY1 10 HAH ACM 10 5.816 -7.109 -1.362 67 HM1 CY1 10 HAJ ACM 10 8.146 -8.480 -0.042 68 HM2 CY1 10 HKM ACM 10 6.409 -8.869 0.028 69 HM3 CY1 10 HKN ACM 10 7.311 -8.563 1.529 70 H THR 11 HN THR 11 2.075 -2.034 -1.838 71 HA THR 11 HA THR 11 0.019 -2.224 -1.083 72 HB THR 11 HB THR 11 -0.964 -3.061 -3.730 73 HG1 THR 11 HG1 THR 11 0.362 -1.106 -3.813 74 HG21 THR 11 HG21 THR 11 -2.276 -1.535 -1.497 75 HG22 THR 11 HG22 THR 11 -2.659 -3.176 -2.014 76 HG23 THR 11 HG23 THR 11 -3.011 -1.814 -3.076 77 H GLY 12 HN GLY 12 0.960 -3.748 0.113 78 HA2 GLY 12 HA2 GLY 12 -0.697 -5.993 0.402 79 HA3 GLY 12 HA1 GLY 12 0.778 -6.423 -0.414 80 H CYS 13 HN CYS 13 0.758 -4.004 1.832 81 HA CYS 13 HA CYS 13 1.858 -3.546 3.759 82 HB2 CYS 13 HB2 CYS 13 0.370 -6.034 4.300 83 HB3 CYS 13 HB1 CYS 13 1.650 -5.657 5.448 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 -1.347 3.572 2.597 2 H2 CYS 1 HT2 CYS 1 -2.849 4.349 2.591 3 H3 CYS 1 HT3 CYS 1 -1.541 5.045 3.406 4 HA CYS 1 HA CYS 1 -1.954 6.177 1.325 5 HB2 CYS 1 HB2 CYS 1 0.584 4.557 1.113 6 HB3 CYS 1 HB1 CYS 1 0.300 6.192 0.531 7 H CY1 2 HN ACM 2 -0.817 3.307 0.344 8 HA CY1 2 HA ACM 2 -2.025 2.813 -1.856 9 HB2 CY1 2 HB1 ACM 2 -0.101 1.360 -0.875 10 HB3 CY1 2 HB2 ACM 2 -1.351 0.614 -0.060 11 HD2 CY1 2 HAG ACM 2 -0.241 1.742 -3.685 12 HD3 CY1 2 HKL ACM 2 -1.144 0.641 -4.838 13 HE CY1 2 HAH ACM 2 -2.933 1.850 -3.092 14 HM1 CY1 2 HAJ ACM 2 -3.521 4.866 -4.902 15 HM2 CY1 2 HKM ACM 2 -3.965 3.888 -3.482 16 HM3 CY1 2 HKN ACM 2 -4.525 3.408 -5.100 17 H GLU 3 HN GLU 3 -3.049 0.110 -0.437 18 HA GLU 3 HA GLU 3 -5.811 0.861 0.023 19 HB2 GLU 3 HB2 GLU 3 -4.512 -1.716 -0.870 20 HB3 GLU 3 HB1 GLU 3 -6.237 -1.611 -0.503 21 HG2 GLU 3 HG2 GLU 3 -6.428 0.181 -2.214 22 HG3 GLU 3 HG1 GLU 3 -4.740 -0.101 -2.636 23 H LEU 4 HN LEU 4 -3.589 -1.577 1.427 24 HA LEU 4 HA LEU 4 -4.948 -1.273 3.964 25 HB2 LEU 4 HB2 LEU 4 -4.192 -3.928 2.781 26 HB3 LEU 4 HB1 LEU 4 -4.810 -3.697 4.404 27 HG LEU 4 HG LEU 4 -6.805 -2.569 2.937 28 HD11 LEU 4 HD11 LEU 4 -5.955 -4.976 1.350 29 HD12 LEU 4 HD12 LEU 4 -5.575 -3.325 0.865 30 HD13 LEU 4 HD13 LEU 4 -7.257 -3.839 0.998 31 HD21 LEU 4 HD21 LEU 4 -6.507 -5.472 3.699 32 HD22 LEU 4 HD22 LEU 4 -8.028 -4.654 3.341 33 HD23 LEU 4 HD23 LEU 4 -7.077 -4.172 4.746 34 H CYS 5 HN CYS 5 -2.693 -0.034 3.110 35 HA CYS 5 HA CYS 5 -1.158 -0.283 5.343 36 HB2 CYS 5 HB2 CYS 5 -0.690 -2.216 3.394 37 HB3 CYS 5 HB1 CYS 5 0.654 -1.073 3.228 38 H CYS 6 HN CYS 6 1.227 0.384 3.922 39 HA CYS 6 HA CYS 6 0.649 2.535 2.209 40 HB2 CYS 6 HB2 CYS 6 0.487 3.728 4.353 41 HB3 CYS 6 HB1 CYS 6 2.054 3.097 4.845 42 H ASN 7 HN ASN 7 1.494 0.802 1.138 43 HA ASN 7 HA ASN 7 4.390 0.502 1.064 44 HB2 ASN 7 HB2 ASN 7 2.019 -0.889 -0.048 45 HB3 ASN 7 HB1 ASN 7 3.622 -1.161 -0.741 46 HD21 ASN 7 HD21 ASN 7 5.114 -2.346 0.375 47 HD22 ASN 7 HD22 ASN 7 4.762 -3.182 1.845 48 HA PRO 8 HA PRO 8 4.410 3.165 -2.532 49 HB2 PRO 8 HB2 PRO 8 7.078 3.167 -3.067 50 HB3 PRO 8 HB1 PRO 8 6.387 4.113 -1.740 51 HG2 PRO 8 HG2 PRO 8 7.875 1.545 -1.638 52 HG3 PRO 8 HG1 PRO 8 7.844 2.879 -0.471 53 HD2 PRO 8 HD2 PRO 8 6.427 0.495 -0.219 54 HD3 PRO 8 HD1 PRO 8 6.079 1.997 0.656 55 H ALA 9 HN ALA 9 3.226 1.900 -3.534 56 HA ALA 9 HA ALA 9 2.509 0.905 -5.295 57 HB1 ALA 9 HB1 ALA 9 4.225 2.091 -6.560 58 HB2 ALA 9 HB2 ALA 9 3.878 0.514 -7.268 59 HB3 ALA 9 HB3 ALA 9 5.337 0.745 -6.305 60 H CY1 10 HN ACM 10 3.516 -0.729 -2.848 61 HA CY1 10 HA ACM 10 4.263 -3.242 -4.113 62 HB2 CY1 10 HB1 ACM 10 5.020 -2.371 -1.691 63 HB3 CY1 10 HB2 ACM 10 3.437 -2.735 -1.352 64 HD2 CY1 10 HAG ACM 10 6.463 -6.048 -2.903 65 HD3 CY1 10 HKL ACM 10 6.826 -4.309 -2.880 66 HE CY1 10 HAH ACM 10 4.417 -4.766 -4.299 67 HM1 CY1 10 HAJ ACM 10 5.773 -5.348 -7.542 68 HM2 CY1 10 HKM ACM 10 5.262 -3.732 -6.996 69 HM3 CY1 10 HKN ACM 10 4.292 -5.160 -6.571 70 H THR 11 HN THR 11 1.821 -2.160 -1.944 71 HA THR 11 HA THR 11 -0.297 -2.586 -1.555 72 HB THR 11 HB THR 11 -0.662 -3.904 -4.152 73 HG1 THR 11 HG1 THR 11 0.157 -2.137 -5.003 74 HG21 THR 11 HG21 THR 11 -2.615 -3.855 -2.693 75 HG22 THR 11 HG22 THR 11 -2.882 -2.838 -4.109 76 HG23 THR 11 HG23 THR 11 -2.471 -2.102 -2.561 77 H GLY 12 HN GLY 12 0.634 -3.856 -0.020 78 HA2 GLY 12 HA2 GLY 12 -0.824 -6.116 0.480 79 HA3 GLY 12 HA1 GLY 12 0.590 -6.633 -0.389 80 H CYS 13 HN CYS 13 0.651 -4.055 1.722 81 HA CYS 13 HA CYS 13 1.826 -3.489 3.579 82 HB2 CYS 13 HB2 CYS 13 0.557 -6.077 4.287 83 HB3 CYS 13 HB1 CYS 13 1.809 -5.483 5.372 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 -1.891 6.309 2.203 2 H2 CYS 1 HT2 CYS 1 -2.007 4.622 2.191 3 H3 CYS 1 HT3 CYS 1 -3.192 5.555 1.427 4 HA CYS 1 HA CYS 1 -1.606 6.343 -0.186 5 HB2 CYS 1 HB2 CYS 1 0.420 4.337 0.663 6 HB3 CYS 1 HB1 CYS 1 0.647 5.894 -0.118 7 H CY1 2 HN ACM 2 -1.050 3.457 0.009 8 HA CY1 2 HA ACM 2 -2.342 1.989 -1.524 9 HB2 CY1 2 HB1 ACM 2 -1.310 0.354 0.727 10 HB3 CY1 2 HB2 ACM 2 -1.675 -0.075 -0.837 11 HD2 CY1 2 HAG ACM 2 1.239 1.549 -2.957 12 HD3 CY1 2 HKL ACM 2 -0.034 0.233 -2.902 13 HE CY1 2 HAH ACM 2 -1.066 2.737 -2.143 14 HM1 CY1 2 HAJ ACM 2 -2.796 3.131 -5.266 15 HM2 CY1 2 HKM ACM 2 -1.745 4.354 -4.510 16 HM3 CY1 2 HKN ACM 2 -2.870 3.409 -3.509 17 H GLU 3 HN GLU 3 -3.446 -0.420 -0.838 18 HA GLU 3 HA GLU 3 -6.036 0.247 0.095 19 HB2 GLU 3 HB2 GLU 3 -4.814 -2.381 -0.746 20 HB3 GLU 3 HB1 GLU 3 -6.505 -2.226 -0.254 21 HG2 GLU 3 HG2 GLU 3 -6.869 -0.612 -2.063 22 HG3 GLU 3 HG1 GLU 3 -5.191 -0.808 -2.565 23 H LEU 4 HN LEU 4 -3.494 -1.839 1.514 24 HA LEU 4 HA LEU 4 -4.791 -1.555 4.082 25 HB2 LEU 4 HB2 LEU 4 -3.839 -4.193 3.013 26 HB3 LEU 4 HB1 LEU 4 -4.389 -3.924 4.654 27 HG LEU 4 HG LEU 4 -6.580 -3.101 3.337 28 HD11 LEU 4 HD11 LEU 4 -5.557 -5.342 1.612 29 HD12 LEU 4 HD12 LEU 4 -5.442 -3.645 1.154 30 HD13 LEU 4 HD13 LEU 4 -7.024 -4.386 1.401 31 HD21 LEU 4 HD21 LEU 4 -5.867 -5.958 3.990 32 HD22 LEU 4 HD22 LEU 4 -7.501 -5.338 3.752 33 HD23 LEU 4 HD23 LEU 4 -6.529 -4.763 5.106 34 H CYS 5 HN CYS 5 -2.576 -0.228 3.005 35 HA CYS 5 HA CYS 5 -1.040 -0.191 5.258 36 HB2 CYS 5 HB2 CYS 5 -0.480 -2.267 3.499 37 HB3 CYS 5 HB1 CYS 5 0.814 -1.088 3.225 38 H CYS 6 HN CYS 6 1.326 0.450 3.802 39 HA CYS 6 HA CYS 6 0.664 2.430 1.918 40 HB2 CYS 6 HB2 CYS 6 0.453 3.786 3.947 41 HB3 CYS 6 HB1 CYS 6 2.038 3.257 4.496 42 H ASN 7 HN ASN 7 1.615 0.608 0.999 43 HA ASN 7 HA ASN 7 4.486 0.312 0.974 44 HB2 ASN 7 HB2 ASN 7 2.101 -0.989 -0.142 45 HB3 ASN 7 HB1 ASN 7 3.604 -1.153 -1.064 46 HD21 ASN 7 HD21 ASN 7 2.116 -1.686 2.067 47 HD22 ASN 7 HD22 ASN 7 3.171 -2.960 2.565 48 HA PRO 8 HA PRO 8 4.929 3.033 -2.539 49 HB2 PRO 8 HB2 PRO 8 7.516 2.527 -3.235 50 HB3 PRO 8 HB1 PRO 8 7.099 3.508 -1.823 51 HG2 PRO 8 HG2 PRO 8 8.023 0.688 -1.941 52 HG3 PRO 8 HG1 PRO 8 8.327 1.924 -0.707 53 HD2 PRO 8 HD2 PRO 8 6.465 -0.129 -0.484 54 HD3 PRO 8 HD1 PRO 8 6.465 1.364 0.472 55 H ALA 9 HN ALA 9 3.439 2.025 -3.461 56 HA ALA 9 HA ALA 9 2.394 1.227 -5.148 57 HB1 ALA 9 HB1 ALA 9 4.080 2.315 -6.541 58 HB2 ALA 9 HB2 ALA 9 3.465 0.849 -7.304 59 HB3 ALA 9 HB3 ALA 9 5.044 0.837 -6.520 60 H CY1 10 HN ACM 10 3.453 -0.656 -2.969 61 HA CY1 10 HA ACM 10 3.700 -3.162 -4.487 62 HB2 CY1 10 HB1 ACM 10 5.126 -2.440 -2.259 63 HB3 CY1 10 HB2 ACM 10 3.672 -2.845 -1.576 64 HD2 CY1 10 HAG ACM 10 2.542 -5.586 -2.652 65 HD3 CY1 10 HKL ACM 10 2.920 -5.131 -0.975 66 HE CY1 10 HAH ACM 10 4.499 -7.340 -1.579 67 HM1 CY1 10 HAJ ACM 10 2.195 -10.029 -1.186 68 HM2 CY1 10 HKM ACM 10 3.202 -9.431 0.157 69 HM3 CY1 10 HKN ACM 10 3.890 -9.565 -1.478 70 H THR 11 HN THR 11 2.105 -2.099 -1.716 71 HA THR 11 HA THR 11 0.063 -2.063 -0.842 72 HB THR 11 HB THR 11 -0.960 -1.038 -2.785 73 HG1 THR 11 HG1 THR 11 -2.789 -1.421 -1.834 74 HG21 THR 11 HG21 THR 11 -0.267 -2.579 -4.554 75 HG22 THR 11 HG22 THR 11 -2.014 -2.347 -4.577 76 HG23 THR 11 HG23 THR 11 -1.330 -3.825 -3.901 77 H GLY 12 HN GLY 12 0.892 -3.581 0.336 78 HA2 GLY 12 HA2 GLY 12 -0.810 -5.758 0.718 79 HA3 GLY 12 HA1 GLY 12 0.589 -6.263 -0.185 80 H CYS 13 HN CYS 13 0.821 -3.846 2.060 81 HA CYS 13 HA CYS 13 2.061 -3.449 3.913 82 HB2 CYS 13 HB2 CYS 13 0.511 -5.890 4.558 83 HB3 CYS 13 HB1 CYS 13 1.831 -5.487 5.650
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