NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
654058 | 7css | 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 0.270 4.796 -3.030 2 H2 CYS 1 HT2 CYS 1 -0.001 4.649 -4.693 3 H3 CYS 1 HT3 CYS 1 1.157 3.676 -3.936 4 HA CYS 1 HA CYS 1 -0.538 2.559 -2.664 5 HB2 CYS 1 HB2 CYS 1 -2.499 4.191 -4.291 6 HB3 CYS 1 HB1 CYS 1 -2.888 3.006 -3.049 7 H CYS 2 HN CYS 2 -0.853 0.564 -3.430 8 HA CYS 2 HA CYS 2 -0.635 0.145 -6.319 9 HB2 CYS 2 HB2 CYS 2 -0.435 -1.892 -4.089 10 HB3 CYS 2 HB1 CYS 2 -0.033 -2.149 -5.783 11 H GLU 3 HN GLU 3 -2.541 -1.127 -3.577 12 HA GLU 3 HA GLU 3 -4.940 -1.165 -5.231 13 HB2 GLU 3 HB2 GLU 3 -3.690 -3.619 -4.011 14 HB3 GLU 3 HB1 GLU 3 -5.426 -3.530 -4.263 15 HG2 GLU 3 HG2 GLU 3 -5.059 -3.167 -6.653 16 HG3 GLU 3 HG1 GLU 3 -3.317 -3.256 -6.395 17 H LEU 4 HN LEU 4 -3.941 -2.510 -2.081 18 HA LEU 4 HA LEU 4 -6.033 -0.895 -0.780 19 HB2 LEU 4 HB2 LEU 4 -4.785 -3.481 0.165 20 HB3 LEU 4 HB1 LEU 4 -6.040 -2.589 1.001 21 HG LEU 4 HG LEU 4 -6.548 -3.566 -1.783 22 HD11 LEU 4 HD11 LEU 4 -6.769 -5.238 0.718 23 HD12 LEU 4 HD12 LEU 4 -5.659 -5.508 -0.625 24 HD13 LEU 4 HD13 LEU 4 -7.397 -5.678 -0.871 25 HD21 LEU 4 HD21 LEU 4 -8.850 -3.703 -0.953 26 HD22 LEU 4 HD22 LEU 4 -8.182 -2.087 -0.727 27 HD23 LEU 4 HD23 LEU 4 -8.307 -3.189 0.644 28 H CYS 5 HN CYS 5 -2.682 -1.599 -0.938 29 HA CYS 5 HA CYS 5 -2.011 -0.313 1.576 30 HB2 CYS 5 HB2 CYS 5 -0.358 -1.654 -0.557 31 HB3 CYS 5 HB1 CYS 5 0.367 -0.795 0.793 32 H CYS 6 HN CYS 6 -1.930 1.726 1.775 33 HA CYS 6 HA CYS 6 -1.087 3.297 -0.515 34 HB2 CYS 6 HB2 CYS 6 -3.208 3.657 1.476 35 HB3 CYS 6 HB1 CYS 6 -2.271 5.110 1.160 36 H ASN 7 HN ASN 7 0.741 2.028 1.250 37 HA ASN 7 HA ASN 7 1.848 4.072 2.985 38 HB2 ASN 7 HB2 ASN 7 1.659 1.320 3.040 39 HB3 ASN 7 HB1 ASN 7 3.324 1.583 2.625 40 HD21 ASN 7 HD21 ASN 7 3.307 0.350 4.684 41 HD22 ASN 7 HD22 ASN 7 3.393 1.273 6.123 42 HA PRO 8 HA PRO 8 5.051 5.172 0.039 43 HB2 PRO 8 HB2 PRO 8 7.128 5.563 2.011 44 HB3 PRO 8 HB1 PRO 8 6.117 6.789 1.238 45 HG2 PRO 8 HG2 PRO 8 5.955 6.184 3.893 46 HG3 PRO 8 HG1 PRO 8 4.596 6.820 2.945 47 HD2 PRO 8 HD2 PRO 8 5.187 3.983 3.711 48 HD3 PRO 8 HD1 PRO 8 3.641 4.854 3.762 49 H ALA 9 HN ALA 9 4.872 2.341 0.751 50 HA ALA 9 HA ALA 9 7.316 1.400 -0.465 51 HB1 ALA 9 HB1 ALA 9 7.976 1.450 1.903 52 HB2 ALA 9 HB2 ALA 9 7.901 -0.201 1.287 53 HB3 ALA 9 HB3 ALA 9 6.602 0.419 2.305 54 H CYS 10 HN CYS 10 4.060 1.292 -0.001 55 HA CYS 10 HA CYS 10 2.337 0.013 -0.712 56 HB2 CYS 10 HB2 CYS 10 3.637 -0.078 -2.832 57 HB3 CYS 10 HB1 CYS 10 4.405 -1.560 -2.274 58 H THR 11 HN THR 11 3.514 -0.610 1.763 59 HA THR 11 HA THR 11 2.740 -3.432 2.023 60 HB THR 11 HB THR 11 4.941 -2.402 3.780 61 HG1 THR 11 HG1 THR 11 6.477 -2.857 2.252 62 HG21 THR 11 HG21 THR 11 5.627 -4.760 3.743 63 HG22 THR 11 HG22 THR 11 4.326 -5.121 2.608 64 HG23 THR 11 HG23 THR 11 3.946 -4.591 4.247 65 H GLY 12 HN GLY 12 1.145 -1.135 2.460 66 HA2 GLY 12 HA2 GLY 12 0.548 -1.470 5.320 67 HA3 GLY 12 HA1 GLY 12 0.705 0.150 4.680 68 H CYS 13 HN CYS 13 -1.108 -2.821 4.450 69 HA CYS 13 HA CYS 13 -3.298 -1.460 3.056 70 HB2 CYS 13 HB2 CYS 13 -2.641 -4.371 3.482 71 HB3 CYS 13 HB1 CYS 13 -4.208 -3.847 2.877 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 -0.001 4.650 -4.697 2 H2 CYS 1 HT2 CYS 1 1.159 3.680 -3.940 3 H3 CYS 1 HT3 CYS 1 0.272 4.799 -3.034 4 HA CYS 1 HA CYS 1 -0.534 2.563 -2.665 5 HB2 CYS 1 HB2 CYS 1 -2.497 4.194 -4.292 6 HB3 CYS 1 HB1 CYS 1 -2.886 3.008 -3.050 7 H CYS 2 HN CYS 2 -0.852 0.567 -3.429 8 HA CYS 2 HA CYS 2 -0.634 0.145 -6.318 9 HB2 CYS 2 HB2 CYS 2 -0.437 -1.890 -4.086 10 HB3 CYS 2 HB1 CYS 2 -0.035 -2.150 -5.779 11 H GLU 3 HN GLU 3 -2.542 -1.125 -3.576 12 HA GLU 3 HA GLU 3 -4.942 -1.158 -5.228 13 HB2 GLU 3 HB2 GLU 3 -3.693 -3.616 -4.016 14 HB3 GLU 3 HB1 GLU 3 -5.430 -3.525 -4.266 15 HG2 GLU 3 HG2 GLU 3 -5.065 -3.155 -6.655 16 HG3 GLU 3 HG1 GLU 3 -3.323 -3.248 -6.399 17 H LEU 4 HN LEU 4 -3.941 -2.513 -2.082 18 HA LEU 4 HA LEU 4 -6.033 -0.902 -0.776 19 HB2 LEU 4 HB2 LEU 4 -4.779 -3.487 0.162 20 HB3 LEU 4 HB1 LEU 4 -6.034 -2.599 1.002 21 HG LEU 4 HG LEU 4 -6.547 -3.570 -1.782 22 HD11 LEU 4 HD11 LEU 4 -5.651 -5.514 -0.632 23 HD12 LEU 4 HD12 LEU 4 -7.389 -5.686 -0.874 24 HD13 LEU 4 HD13 LEU 4 -6.758 -5.249 0.714 25 HD21 LEU 4 HD21 LEU 4 -8.300 -3.204 0.651 26 HD22 LEU 4 HD22 LEU 4 -8.846 -3.713 -0.947 27 HD23 LEU 4 HD23 LEU 4 -8.180 -2.097 -0.717 28 H CYS 5 HN CYS 5 -2.681 -1.599 -0.940 29 HA CYS 5 HA CYS 5 -2.010 -0.314 1.576 30 HB2 CYS 5 HB2 CYS 5 -0.356 -1.654 -0.558 31 HB3 CYS 5 HB1 CYS 5 0.368 -0.795 0.793 32 H CYS 6 HN CYS 6 -1.928 1.725 1.775 33 HA CYS 6 HA CYS 6 -1.087 3.296 -0.516 34 HB2 CYS 6 HB2 CYS 6 -3.208 3.655 1.474 35 HB3 CYS 6 HB1 CYS 6 -2.271 5.108 1.161 36 H ASN 7 HN ASN 7 0.741 2.028 1.251 37 HA ASN 7 HA ASN 7 1.848 4.074 2.984 38 HB2 ASN 7 HB2 ASN 7 1.660 1.322 3.040 39 HB3 ASN 7 HB1 ASN 7 3.325 1.584 2.626 40 HD21 ASN 7 HD21 ASN 7 3.304 0.353 4.687 41 HD22 ASN 7 HD22 ASN 7 3.390 1.277 6.125 42 HA PRO 8 HA PRO 8 5.052 5.171 0.036 43 HB2 PRO 8 HB2 PRO 8 7.129 5.562 2.007 44 HB3 PRO 8 HB1 PRO 8 6.118 6.789 1.234 45 HG2 PRO 8 HG2 PRO 8 5.956 6.186 3.889 46 HG3 PRO 8 HG1 PRO 8 4.597 6.821 2.941 47 HD2 PRO 8 HD2 PRO 8 5.188 3.984 3.709 48 HD3 PRO 8 HD1 PRO 8 3.642 4.856 3.760 49 H ALA 9 HN ALA 9 4.873 2.340 0.751 50 HA ALA 9 HA ALA 9 7.316 1.398 -0.465 51 HB1 ALA 9 HB1 ALA 9 7.975 1.450 1.903 52 HB2 ALA 9 HB2 ALA 9 7.902 -0.201 1.287 53 HB3 ALA 9 HB3 ALA 9 6.602 0.418 2.305 54 H CYS 10 HN CYS 10 4.060 1.291 -0.000 55 HA CYS 10 HA CYS 10 2.337 0.012 -0.711 56 HB2 CYS 10 HB2 CYS 10 3.636 -0.080 -2.830 57 HB3 CYS 10 HB1 CYS 10 4.404 -1.563 -2.271 58 H THR 11 HN THR 11 3.514 -0.609 1.764 59 HA THR 11 HA THR 11 2.739 -3.431 2.026 60 HB THR 11 HB THR 11 4.939 -2.399 3.784 61 HG1 THR 11 HG1 THR 11 5.199 -3.196 1.072 62 HG21 THR 11 HG21 THR 11 3.944 -4.588 4.252 63 HG22 THR 11 HG22 THR 11 5.626 -4.757 3.749 64 HG23 THR 11 HG23 THR 11 4.326 -5.120 2.614 65 H GLY 12 HN GLY 12 1.144 -1.134 2.460 66 HA2 GLY 12 HA2 GLY 12 0.546 -1.467 5.320 67 HA3 GLY 12 HA1 GLY 12 0.702 0.153 4.679 68 H CYS 13 HN CYS 13 -1.107 -2.821 4.449 69 HA CYS 13 HA CYS 13 -3.299 -1.463 3.054 70 HB2 CYS 13 HB2 CYS 13 -2.638 -4.373 3.481 71 HB3 CYS 13 HB1 CYS 13 -4.205 -3.851 2.875 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 -0.006 4.651 -4.697 2 H2 CYS 1 HT2 CYS 1 1.155 3.682 -3.941 3 H3 CYS 1 HT3 CYS 1 0.267 4.800 -3.034 4 HA CYS 1 HA CYS 1 -0.537 2.563 -2.666 5 HB2 CYS 1 HB2 CYS 1 -2.503 4.190 -4.293 6 HB3 CYS 1 HB1 CYS 1 -2.889 3.006 -3.049 7 H CYS 2 HN CYS 2 -0.852 0.567 -3.430 8 HA CYS 2 HA CYS 2 -0.634 0.146 -6.319 9 HB2 CYS 2 HB2 CYS 2 -0.434 -1.890 -4.087 10 HB3 CYS 2 HB1 CYS 2 -0.031 -2.148 -5.781 11 H GLU 3 HN GLU 3 -2.540 -1.126 -3.576 12 HA GLU 3 HA GLU 3 -4.939 -1.165 -5.230 13 HB2 GLU 3 HB2 GLU 3 -3.689 -3.618 -4.010 14 HB3 GLU 3 HB1 GLU 3 -5.425 -3.530 -4.263 15 HG2 GLU 3 HG2 GLU 3 -5.056 -3.167 -6.653 16 HG3 GLU 3 HG1 GLU 3 -3.315 -3.256 -6.394 17 H LEU 4 HN LEU 4 -3.940 -2.511 -2.080 18 HA LEU 4 HA LEU 4 -6.033 -0.896 -0.780 19 HB2 LEU 4 HB2 LEU 4 -4.783 -3.481 0.166 20 HB3 LEU 4 HB1 LEU 4 -6.038 -2.590 1.001 21 HG LEU 4 HG LEU 4 -6.547 -3.568 -1.782 22 HD11 LEU 4 HD11 LEU 4 -7.393 -5.679 -0.870 23 HD12 LEU 4 HD12 LEU 4 -6.766 -5.239 0.718 24 HD13 LEU 4 HD13 LEU 4 -5.655 -5.509 -0.625 25 HD21 LEU 4 HD21 LEU 4 -8.305 -3.193 0.646 26 HD22 LEU 4 HD22 LEU 4 -8.848 -3.706 -0.952 27 HD23 LEU 4 HD23 LEU 4 -8.180 -2.089 -0.725 28 H CYS 5 HN CYS 5 -2.681 -1.598 -0.938 29 HA CYS 5 HA CYS 5 -2.011 -0.311 1.576 30 HB2 CYS 5 HB2 CYS 5 -0.356 -1.651 -0.557 31 HB3 CYS 5 HB1 CYS 5 0.367 -0.793 0.794 32 H CYS 6 HN CYS 6 -1.931 1.729 1.773 33 HA CYS 6 HA CYS 6 -1.088 3.299 -0.517 34 HB2 CYS 6 HB2 CYS 6 -3.209 3.658 1.475 35 HB3 CYS 6 HB1 CYS 6 -2.273 5.112 1.158 36 H ASN 7 HN ASN 7 0.738 2.030 1.252 37 HA ASN 7 HA ASN 7 1.846 4.076 2.984 38 HB2 ASN 7 HB2 ASN 7 1.656 1.324 3.041 39 HB3 ASN 7 HB1 ASN 7 3.321 1.585 2.627 40 HD21 ASN 7 HD21 ASN 7 3.300 0.355 4.688 41 HD22 ASN 7 HD22 ASN 7 3.387 1.279 6.126 42 HA PRO 8 HA PRO 8 5.050 5.170 0.036 43 HB2 PRO 8 HB2 PRO 8 7.126 5.564 2.008 44 HB3 PRO 8 HB1 PRO 8 6.115 6.789 1.234 45 HG2 PRO 8 HG2 PRO 8 5.953 6.188 3.889 46 HG3 PRO 8 HG1 PRO 8 4.594 6.823 2.940 47 HD2 PRO 8 HD2 PRO 8 5.185 3.986 3.710 48 HD3 PRO 8 HD1 PRO 8 3.639 4.858 3.760 49 H ALA 9 HN ALA 9 4.871 2.340 0.753 50 HA ALA 9 HA ALA 9 7.316 1.398 -0.459 51 HB1 ALA 9 HB1 ALA 9 6.597 0.419 2.310 52 HB2 ALA 9 HB2 ALA 9 7.972 1.449 1.910 53 HB3 ALA 9 HB3 ALA 9 7.898 -0.202 1.294 54 H CYS 10 HN CYS 10 4.060 1.290 0.000 55 HA CYS 10 HA CYS 10 2.338 0.010 -0.712 56 HB2 CYS 10 HB2 CYS 10 3.639 -0.079 -2.831 57 HB3 CYS 10 HB1 CYS 10 4.407 -1.561 -2.273 58 H THR 11 HN THR 11 3.513 -0.613 1.763 59 HA THR 11 HA THR 11 2.738 -3.435 2.022 60 HB THR 11 HB THR 11 4.941 -2.408 3.779 61 HG1 THR 11 HG1 THR 11 5.838 -1.969 1.800 62 HG21 THR 11 HG21 THR 11 4.323 -5.126 2.605 63 HG22 THR 11 HG22 THR 11 3.945 -4.597 4.245 64 HG23 THR 11 HG23 THR 11 5.626 -4.767 3.739 65 H GLY 12 HN GLY 12 1.147 -1.136 2.461 66 HA2 GLY 12 HA2 GLY 12 0.551 -1.473 5.321 67 HA3 GLY 12 HA1 GLY 12 0.709 0.148 4.682 68 H CYS 13 HN CYS 13 -1.106 -2.822 4.448 69 HA CYS 13 HA CYS 13 -3.296 -1.458 3.057 70 HB2 CYS 13 HB2 CYS 13 -2.640 -4.370 3.482 71 HB3 CYS 13 HB1 CYS 13 -4.207 -3.845 2.877 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 -0.011 4.655 -4.702 2 H2 CYS 1 HT2 CYS 1 1.154 3.689 -3.947 3 H3 CYS 1 HT3 CYS 1 0.265 4.806 -3.039 4 HA CYS 1 HA CYS 1 -0.534 2.567 -2.668 5 HB2 CYS 1 HB2 CYS 1 -2.505 4.190 -4.292 6 HB3 CYS 1 HB1 CYS 1 -2.887 3.005 -3.047 7 H CYS 2 HN CYS 2 -0.851 0.570 -3.430 8 HA CYS 2 HA CYS 2 -0.633 0.146 -6.318 9 HB2 CYS 2 HB2 CYS 2 -0.435 -1.888 -4.084 10 HB3 CYS 2 HB1 CYS 2 -0.032 -2.147 -5.778 11 H GLU 3 HN GLU 3 -2.541 -1.124 -3.575 12 HA GLU 3 HA GLU 3 -4.940 -1.159 -5.228 13 HB2 GLU 3 HB2 GLU 3 -3.691 -3.616 -4.014 14 HB3 GLU 3 HB1 GLU 3 -5.427 -3.526 -4.266 15 HG2 GLU 3 HG2 GLU 3 -5.060 -3.157 -6.655 16 HG3 GLU 3 HG1 GLU 3 -3.319 -3.249 -6.397 17 H LEU 4 HN LEU 4 -3.940 -2.513 -2.082 18 HA LEU 4 HA LEU 4 -6.032 -0.903 -0.776 19 HB2 LEU 4 HB2 LEU 4 -4.777 -3.487 0.163 20 HB3 LEU 4 HB1 LEU 4 -6.032 -2.599 1.003 21 HG LEU 4 HG LEU 4 -6.545 -3.572 -1.781 22 HD11 LEU 4 HD11 LEU 4 -7.385 -5.687 -0.872 23 HD12 LEU 4 HD12 LEU 4 -6.754 -5.250 0.716 24 HD13 LEU 4 HD13 LEU 4 -5.647 -5.514 -0.631 25 HD21 LEU 4 HD21 LEU 4 -8.178 -2.099 -0.715 26 HD22 LEU 4 HD22 LEU 4 -8.298 -3.207 0.652 27 HD23 LEU 4 HD23 LEU 4 -8.843 -3.716 -0.946 28 H CYS 5 HN CYS 5 -2.679 -1.598 -0.940 29 HA CYS 5 HA CYS 5 -2.009 -0.311 1.575 30 HB2 CYS 5 HB2 CYS 5 -0.354 -1.651 -0.557 31 HB3 CYS 5 HB1 CYS 5 0.369 -0.792 0.793 32 H CYS 6 HN CYS 6 -1.929 1.728 1.773 33 HA CYS 6 HA CYS 6 -1.089 3.299 -0.518 34 HB2 CYS 6 HB2 CYS 6 -3.209 3.656 1.474 35 HB3 CYS 6 HB1 CYS 6 -2.274 5.110 1.159 36 H ASN 7 HN ASN 7 0.738 2.031 1.251 37 HA ASN 7 HA ASN 7 1.846 4.078 2.981 38 HB2 ASN 7 HB2 ASN 7 1.656 1.326 3.041 39 HB3 ASN 7 HB1 ASN 7 3.322 1.587 2.628 40 HD21 ASN 7 HD21 ASN 7 3.298 0.359 4.691 41 HD22 ASN 7 HD22 ASN 7 3.384 1.285 6.127 42 HA PRO 8 HA PRO 8 5.052 5.168 0.032 43 HB2 PRO 8 HB2 PRO 8 7.127 5.564 2.004 44 HB3 PRO 8 HB1 PRO 8 6.117 6.788 1.229 45 HG2 PRO 8 HG2 PRO 8 5.954 6.190 3.884 46 HG3 PRO 8 HG1 PRO 8 4.595 6.824 2.934 47 HD2 PRO 8 HD2 PRO 8 5.186 3.989 3.708 48 HD3 PRO 8 HD1 PRO 8 3.640 4.861 3.756 49 H ALA 9 HN ALA 9 4.871 2.339 0.754 50 HA ALA 9 HA ALA 9 7.317 1.395 -0.457 51 HB1 ALA 9 HB1 ALA 9 6.595 0.418 2.313 52 HB2 ALA 9 HB2 ALA 9 7.969 1.449 1.914 53 HB3 ALA 9 HB3 ALA 9 7.898 -0.202 1.299 54 H CYS 10 HN CYS 10 4.060 1.289 0.001 55 HA CYS 10 HA CYS 10 2.338 0.008 -0.711 56 HB2 CYS 10 HB2 CYS 10 3.641 -0.083 -2.829 57 HB3 CYS 10 HB1 CYS 10 4.407 -1.565 -2.270 58 H THR 11 HN THR 11 3.513 -0.614 1.765 59 HA THR 11 HA THR 11 2.737 -3.435 2.026 60 HB THR 11 HB THR 11 4.939 -2.407 3.783 61 HG1 THR 11 HG1 THR 11 5.536 -3.656 1.312 62 HG21 THR 11 HG21 THR 11 3.945 -4.596 4.251 63 HG22 THR 11 HG22 THR 11 5.625 -4.767 3.742 64 HG23 THR 11 HG23 THR 11 4.320 -5.126 2.611 65 H GLY 12 HN GLY 12 1.147 -1.135 2.462 66 HA2 GLY 12 HA2 GLY 12 0.550 -1.469 5.322 67 HA3 GLY 12 HA1 GLY 12 0.707 0.151 4.681 68 H CYS 13 HN CYS 13 -1.104 -2.822 4.446 69 HA CYS 13 HA CYS 13 -3.295 -1.461 3.055 70 HB2 CYS 13 HB2 CYS 13 -2.637 -4.372 3.480 71 HB3 CYS 13 HB1 CYS 13 -4.204 -3.849 2.874 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 1.159 3.676 -3.938 2 H2 CYS 1 HT2 CYS 1 0.273 4.797 -3.032 3 H3 CYS 1 HT3 CYS 1 0.000 4.650 -4.695 4 HA CYS 1 HA CYS 1 -0.536 2.561 -2.665 5 HB2 CYS 1 HB2 CYS 1 -2.496 4.195 -4.292 6 HB3 CYS 1 HB1 CYS 1 -2.887 3.009 -3.051 7 H CYS 2 HN CYS 2 -0.850 0.566 -3.430 8 HA CYS 2 HA CYS 2 -0.634 0.145 -6.319 9 HB2 CYS 2 HB2 CYS 2 -0.437 -1.891 -4.086 10 HB3 CYS 2 HB1 CYS 2 -0.035 -2.150 -5.780 11 H GLU 3 HN GLU 3 -2.542 -1.124 -3.576 12 HA GLU 3 HA GLU 3 -4.941 -1.158 -5.229 13 HB2 GLU 3 HB2 GLU 3 -3.693 -3.616 -4.015 14 HB3 GLU 3 HB1 GLU 3 -5.430 -3.525 -4.267 15 HG2 GLU 3 HG2 GLU 3 -5.063 -3.156 -6.656 16 HG3 GLU 3 HG1 GLU 3 -3.321 -3.248 -6.398 17 H LEU 4 HN LEU 4 -3.942 -2.512 -2.083 18 HA LEU 4 HA LEU 4 -6.033 -0.902 -0.776 19 HB2 LEU 4 HB2 LEU 4 -4.780 -3.486 0.162 20 HB3 LEU 4 HB1 LEU 4 -6.035 -2.598 1.001 21 HG LEU 4 HG LEU 4 -6.547 -3.570 -1.783 22 HD11 LEU 4 HD11 LEU 4 -5.651 -5.513 -0.631 23 HD12 LEU 4 HD12 LEU 4 -7.389 -5.685 -0.875 24 HD13 LEU 4 HD13 LEU 4 -6.761 -5.248 0.714 25 HD21 LEU 4 HD21 LEU 4 -8.181 -2.097 -0.721 26 HD22 LEU 4 HD22 LEU 4 -8.300 -3.201 0.649 27 HD23 LEU 4 HD23 LEU 4 -8.846 -3.714 -0.948 28 H CYS 5 HN CYS 5 -2.681 -1.599 -0.939 29 HA CYS 5 HA CYS 5 -2.010 -0.314 1.576 30 HB2 CYS 5 HB2 CYS 5 -0.357 -1.654 -0.558 31 HB3 CYS 5 HB1 CYS 5 0.368 -0.795 0.792 32 H CYS 6 HN CYS 6 -1.928 1.725 1.775 33 HA CYS 6 HA CYS 6 -1.087 3.296 -0.515 34 HB2 CYS 6 HB2 CYS 6 -3.208 3.654 1.475 35 HB3 CYS 6 HB1 CYS 6 -2.272 5.108 1.162 36 H ASN 7 HN ASN 7 0.742 2.029 1.250 37 HA ASN 7 HA ASN 7 1.848 4.074 2.984 38 HB2 ASN 7 HB2 ASN 7 1.660 1.322 3.040 39 HB3 ASN 7 HB1 ASN 7 3.325 1.584 2.626 40 HD21 ASN 7 HD21 ASN 7 3.306 0.352 4.686 41 HD22 ASN 7 HD22 ASN 7 3.392 1.276 6.124 42 HA PRO 8 HA PRO 8 5.052 5.171 0.037 43 HB2 PRO 8 HB2 PRO 8 7.129 5.562 2.009 44 HB3 PRO 8 HB1 PRO 8 6.119 6.788 1.236 45 HG2 PRO 8 HG2 PRO 8 5.957 6.185 3.890 46 HG3 PRO 8 HG1 PRO 8 4.597 6.821 2.942 47 HD2 PRO 8 HD2 PRO 8 5.188 3.984 3.710 48 HD3 PRO 8 HD1 PRO 8 3.642 4.856 3.761 49 H ALA 9 HN ALA 9 4.873 2.340 0.751 50 HA ALA 9 HA ALA 9 7.316 1.399 -0.466 51 HB1 ALA 9 HB1 ALA 9 7.902 -0.202 1.286 52 HB2 ALA 9 HB2 ALA 9 6.604 0.419 2.305 53 HB3 ALA 9 HB3 ALA 9 7.977 1.450 1.902 54 H CYS 10 HN CYS 10 4.060 1.292 -0.002 55 HA CYS 10 HA CYS 10 2.337 0.012 -0.712 56 HB2 CYS 10 HB2 CYS 10 3.637 -0.081 -2.831 57 HB3 CYS 10 HB1 CYS 10 4.404 -1.563 -2.272 58 H THR 11 HN THR 11 3.514 -0.609 1.764 59 HA THR 11 HA THR 11 2.740 -3.430 2.026 60 HB THR 11 HB THR 11 4.939 -2.399 3.784 61 HG1 THR 11 HG1 THR 11 5.183 -3.146 1.063 62 HG21 THR 11 HG21 THR 11 4.322 -5.118 2.613 63 HG22 THR 11 HG22 THR 11 3.949 -4.588 4.253 64 HG23 THR 11 HG23 THR 11 5.628 -4.758 3.743 65 H GLY 12 HN GLY 12 1.144 -1.134 2.460 66 HA2 GLY 12 HA2 GLY 12 0.546 -1.467 5.320 67 HA3 GLY 12 HA1 GLY 12 0.702 0.153 4.679 68 H CYS 13 HN CYS 13 -1.107 -2.821 4.449 69 HA CYS 13 HA CYS 13 -3.299 -1.463 3.054 70 HB2 CYS 13 HB2 CYS 13 -2.638 -4.373 3.481 71 HB3 CYS 13 HB1 CYS 13 -4.205 -3.851 2.875 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 0.269 4.809 -3.043 2 H2 CYS 1 HT2 CYS 1 -0.007 4.656 -4.705 3 H3 CYS 1 HT3 CYS 1 1.158 3.690 -3.949 4 HA CYS 1 HA CYS 1 -0.528 2.570 -2.669 5 HB2 CYS 1 HB2 CYS 1 -2.500 4.194 -4.292 6 HB3 CYS 1 HB1 CYS 1 -2.883 3.006 -3.051 7 H CYS 2 HN CYS 2 -0.855 0.572 -3.428 8 HA CYS 2 HA CYS 2 -0.633 0.145 -6.316 9 HB2 CYS 2 HB2 CYS 2 -0.440 -1.885 -4.078 10 HB3 CYS 2 HB1 CYS 2 -0.038 -2.150 -5.771 11 H GLU 3 HN GLU 3 -2.545 -1.121 -3.574 12 HA GLU 3 HA GLU 3 -4.944 -1.148 -5.224 13 HB2 GLU 3 HB2 GLU 3 -3.697 -3.613 -4.025 14 HB3 GLU 3 HB1 GLU 3 -5.434 -3.519 -4.270 15 HG2 GLU 3 HG2 GLU 3 -5.074 -3.138 -6.659 16 HG3 GLU 3 HG1 GLU 3 -3.331 -3.235 -6.407 17 H LEU 4 HN LEU 4 -3.942 -2.516 -2.085 18 HA LEU 4 HA LEU 4 -6.032 -0.912 -0.770 19 HB2 LEU 4 HB2 LEU 4 -4.770 -3.497 0.157 20 HB3 LEU 4 HB1 LEU 4 -6.024 -2.614 1.005 21 HG LEU 4 HG LEU 4 -6.546 -3.575 -1.781 22 HD11 LEU 4 HD11 LEU 4 -5.640 -5.522 -0.645 23 HD12 LEU 4 HD12 LEU 4 -7.380 -5.697 -0.878 24 HD13 LEU 4 HD13 LEU 4 -6.742 -5.266 0.708 25 HD21 LEU 4 HD21 LEU 4 -8.288 -3.222 0.661 26 HD22 LEU 4 HD22 LEU 4 -8.841 -3.730 -0.934 27 HD23 LEU 4 HD23 LEU 4 -8.179 -2.111 -0.705 28 H CYS 5 HN CYS 5 -2.678 -1.598 -0.942 29 HA CYS 5 HA CYS 5 -2.008 -0.315 1.575 30 HB2 CYS 5 HB2 CYS 5 -0.353 -1.654 -0.558 31 HB3 CYS 5 HB1 CYS 5 0.370 -0.794 0.791 32 H CYS 6 HN CYS 6 -1.925 1.724 1.774 33 HA CYS 6 HA CYS 6 -1.087 3.295 -0.517 34 HB2 CYS 6 HB2 CYS 6 -3.208 3.652 1.473 35 HB3 CYS 6 HB1 CYS 6 -2.273 5.106 1.160 36 H ASN 7 HN ASN 7 0.743 2.029 1.249 37 HA ASN 7 HA ASN 7 1.849 4.077 2.980 38 HB2 ASN 7 HB2 ASN 7 1.660 1.325 3.040 39 HB3 ASN 7 HB1 ASN 7 3.326 1.587 2.627 40 HD21 ASN 7 HD21 ASN 7 3.301 0.358 4.690 41 HD22 ASN 7 HD22 ASN 7 3.386 1.284 6.127 42 HA PRO 8 HA PRO 8 5.054 5.169 0.032 43 HB2 PRO 8 HB2 PRO 8 7.130 5.562 2.003 44 HB3 PRO 8 HB1 PRO 8 6.121 6.787 1.228 45 HG2 PRO 8 HG2 PRO 8 5.958 6.189 3.883 46 HG3 PRO 8 HG1 PRO 8 4.599 6.823 2.933 47 HD2 PRO 8 HD2 PRO 8 5.188 3.988 3.707 48 HD3 PRO 8 HD1 PRO 8 3.643 4.860 3.755 49 H ALA 9 HN ALA 9 4.873 2.339 0.752 50 HA ALA 9 HA ALA 9 7.316 1.394 -0.462 51 HB1 ALA 9 HB1 ALA 9 7.975 1.447 1.907 52 HB2 ALA 9 HB2 ALA 9 7.900 -0.204 1.293 53 HB3 ALA 9 HB3 ALA 9 6.600 0.418 2.310 54 H CYS 10 HN CYS 10 4.060 1.290 0.000 55 HA CYS 10 HA CYS 10 2.337 0.011 -0.709 56 HB2 CYS 10 HB2 CYS 10 3.638 -0.085 -2.828 57 HB3 CYS 10 HB1 CYS 10 4.403 -1.567 -2.267 58 H THR 11 HN THR 11 3.516 -0.609 1.766 59 HA THR 11 HA THR 11 2.739 -3.430 2.031 60 HB THR 11 HB THR 11 4.937 -2.397 3.790 61 HG1 THR 11 HG1 THR 11 5.308 -3.410 1.147 62 HG21 THR 11 HG21 THR 11 4.321 -5.118 2.622 63 HG22 THR 11 HG22 THR 11 3.945 -4.585 4.261 64 HG23 THR 11 HG23 THR 11 5.625 -4.756 3.753 65 H GLY 12 HN GLY 12 1.144 -1.132 2.461 66 HA2 GLY 12 HA2 GLY 12 0.544 -1.461 5.321 67 HA3 GLY 12 HA1 GLY 12 0.698 0.158 4.676 68 H CYS 13 HN CYS 13 -1.106 -2.820 4.447 69 HA CYS 13 HA CYS 13 -3.299 -1.467 3.051 70 HB2 CYS 13 HB2 CYS 13 -2.632 -4.376 3.479 71 HB3 CYS 13 HB1 CYS 13 -4.200 -3.857 2.871 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 0.280 4.802 -3.038 2 H2 CYS 1 HT2 CYS 1 0.005 4.651 -4.701 3 H3 CYS 1 HT3 CYS 1 1.165 3.680 -3.944 4 HA CYS 1 HA CYS 1 -0.528 2.566 -2.667 5 HB2 CYS 1 HB2 CYS 1 -2.489 4.200 -4.291 6 HB3 CYS 1 HB1 CYS 1 -2.880 3.012 -3.054 7 H CYS 2 HN CYS 2 -0.852 0.569 -3.428 8 HA CYS 2 HA CYS 2 -0.634 0.144 -6.316 9 HB2 CYS 2 HB2 CYS 2 -0.443 -1.888 -4.080 10 HB3 CYS 2 HB1 CYS 2 -0.043 -2.153 -5.774 11 H GLU 3 HN GLU 3 -2.547 -1.121 -3.574 12 HA GLU 3 HA GLU 3 -4.947 -1.141 -5.223 13 HB2 GLU 3 HB2 GLU 3 -3.704 -3.611 -4.030 14 HB3 GLU 3 HB1 GLU 3 -5.441 -3.513 -4.274 15 HG2 GLU 3 HG2 GLU 3 -5.081 -3.128 -6.662 16 HG3 GLU 3 HG1 GLU 3 -3.339 -3.228 -6.412 17 H LEU 4 HN LEU 4 -3.945 -2.518 -2.087 18 HA LEU 4 HA LEU 4 -6.034 -0.915 -0.768 19 HB2 LEU 4 HB2 LEU 4 -4.771 -3.502 0.153 20 HB3 LEU 4 HB1 LEU 4 -6.022 -2.620 1.004 21 HG LEU 4 HG LEU 4 -6.551 -3.576 -1.782 22 HD11 LEU 4 HD11 LEU 4 -6.741 -5.271 0.705 23 HD12 LEU 4 HD12 LEU 4 -5.643 -5.525 -0.652 24 HD13 LEU 4 HD13 LEU 4 -7.383 -5.698 -0.882 25 HD21 LEU 4 HD21 LEU 4 -8.844 -3.734 -0.927 26 HD22 LEU 4 HD22 LEU 4 -8.182 -2.115 -0.703 27 HD23 LEU 4 HD23 LEU 4 -8.285 -3.222 0.665 28 H CYS 5 HN CYS 5 -2.680 -1.600 -0.944 29 HA CYS 5 HA CYS 5 -2.009 -0.319 1.575 30 HB2 CYS 5 HB2 CYS 5 -0.355 -1.658 -0.559 31 HB3 CYS 5 HB1 CYS 5 0.370 -0.797 0.790 32 H CYS 6 HN CYS 6 -1.920 1.720 1.777 33 HA CYS 6 HA CYS 6 -1.083 3.292 -0.515 34 HB2 CYS 6 HB2 CYS 6 -3.206 3.648 1.473 35 HB3 CYS 6 HB1 CYS 6 -2.269 5.102 1.164 36 H ASN 7 HN ASN 7 0.747 2.026 1.249 37 HA ASN 7 HA ASN 7 1.852 4.072 2.983 38 HB2 ASN 7 HB2 ASN 7 1.667 1.319 3.039 39 HB3 ASN 7 HB1 ASN 7 3.332 1.584 2.625 40 HD21 ASN 7 HD21 ASN 7 3.310 0.351 4.686 41 HD22 ASN 7 HD22 ASN 7 3.395 1.275 6.124 42 HA PRO 8 HA PRO 8 5.055 5.172 0.035 43 HB2 PRO 8 HB2 PRO 8 7.133 5.560 2.006 44 HB3 PRO 8 HB1 PRO 8 6.124 6.788 1.234 45 HG2 PRO 8 HG2 PRO 8 5.961 6.184 3.888 46 HG3 PRO 8 HG1 PRO 8 4.602 6.820 2.940 47 HD2 PRO 8 HD2 PRO 8 5.192 3.983 3.708 48 HD3 PRO 8 HD1 PRO 8 3.647 4.855 3.759 49 H ALA 9 HN ALA 9 4.875 2.341 0.750 50 HA ALA 9 HA ALA 9 7.314 1.397 -0.473 51 HB1 ALA 9 HB1 ALA 9 7.984 1.449 1.892 52 HB2 ALA 9 HB2 ALA 9 7.904 -0.203 1.279 53 HB3 ALA 9 HB3 ALA 9 6.610 0.420 2.301 54 H CYS 10 HN CYS 10 4.061 1.293 -0.002 55 HA CYS 10 HA CYS 10 2.335 0.015 -0.708 56 HB2 CYS 10 HB2 CYS 10 3.632 -0.084 -2.829 57 HB3 CYS 10 HB1 CYS 10 4.397 -1.566 -2.268 58 H THR 11 HN THR 11 3.517 -0.603 1.767 59 HA THR 11 HA THR 11 2.741 -3.425 2.035 60 HB THR 11 HB THR 11 4.937 -2.384 3.793 61 HG1 THR 11 HG1 THR 11 5.212 -3.217 1.090 62 HG21 THR 11 HG21 THR 11 4.332 -5.110 2.631 63 HG22 THR 11 HG22 THR 11 3.940 -4.574 4.265 64 HG23 THR 11 HG23 THR 11 5.625 -4.741 3.772 65 H GLY 12 HN GLY 12 1.141 -1.130 2.460 66 HA2 GLY 12 HA2 GLY 12 0.539 -1.456 5.320 67 HA3 GLY 12 HA1 GLY 12 0.691 0.162 4.673 68 H CYS 13 HN CYS 13 -1.108 -2.819 4.448 69 HA CYS 13 HA CYS 13 -3.303 -1.471 3.049 70 HB2 CYS 13 HB2 CYS 13 -2.631 -4.378 3.480 71 HB3 CYS 13 HB1 CYS 13 -4.200 -3.863 2.871 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 1.165 3.683 -3.948 2 H2 CYS 1 HT2 CYS 1 0.281 4.804 -3.042 3 H3 CYS 1 HT3 CYS 1 0.003 4.653 -4.704 4 HA CYS 1 HA CYS 1 -0.525 2.568 -2.668 5 HB2 CYS 1 HB2 CYS 1 -2.489 4.201 -4.291 6 HB3 CYS 1 HB1 CYS 1 -2.879 3.012 -3.053 7 H CYS 2 HN CYS 2 -0.852 0.571 -3.427 8 HA CYS 2 HA CYS 2 -0.633 0.144 -6.315 9 HB2 CYS 2 HB2 CYS 2 -0.444 -1.887 -4.078 10 HB3 CYS 2 HB1 CYS 2 -0.044 -2.153 -5.771 11 H GLU 3 HN GLU 3 -2.547 -1.120 -3.573 12 HA GLU 3 HA GLU 3 -4.948 -1.138 -5.221 13 HB2 GLU 3 HB2 GLU 3 -3.705 -3.610 -4.032 14 HB3 GLU 3 HB1 GLU 3 -5.442 -3.511 -4.275 15 HG2 GLU 3 HG2 GLU 3 -5.083 -3.123 -6.663 16 HG3 GLU 3 HG1 GLU 3 -3.341 -3.225 -6.413 17 H LEU 4 HN LEU 4 -3.945 -2.519 -2.088 18 HA LEU 4 HA LEU 4 -6.034 -0.918 -0.766 19 HB2 LEU 4 HB2 LEU 4 -4.768 -3.504 0.153 20 HB3 LEU 4 HB1 LEU 4 -6.020 -2.624 1.005 21 HG LEU 4 HG LEU 4 -6.548 -3.579 -1.782 22 HD11 LEU 4 HD11 LEU 4 -5.638 -5.528 -0.653 23 HD12 LEU 4 HD12 LEU 4 -7.378 -5.703 -0.882 24 HD13 LEU 4 HD13 LEU 4 -6.736 -5.276 0.704 25 HD21 LEU 4 HD21 LEU 4 -8.841 -3.736 -0.930 26 HD22 LEU 4 HD22 LEU 4 -8.179 -2.119 -0.696 27 HD23 LEU 4 HD23 LEU 4 -8.285 -3.234 0.666 28 H CYS 5 HN CYS 5 -2.679 -1.600 -0.944 29 HA CYS 5 HA CYS 5 -2.009 -0.319 1.575 30 HB2 CYS 5 HB2 CYS 5 -0.354 -1.658 -0.559 31 HB3 CYS 5 HB1 CYS 5 0.370 -0.797 0.790 32 H CYS 6 HN CYS 6 -1.919 1.720 1.777 33 HA CYS 6 HA CYS 6 -1.083 3.291 -0.516 34 HB2 CYS 6 HB2 CYS 6 -3.206 3.647 1.472 35 HB3 CYS 6 HB1 CYS 6 -2.268 5.102 1.165 36 H ASN 7 HN ASN 7 0.747 2.025 1.251 37 HA ASN 7 HA ASN 7 1.853 4.072 2.982 38 HB2 ASN 7 HB2 ASN 7 1.668 1.319 3.038 39 HB3 ASN 7 HB1 ASN 7 3.333 1.585 2.625 40 HD21 ASN 7 HD21 ASN 7 3.307 0.352 4.687 41 HD22 ASN 7 HD22 ASN 7 3.393 1.277 6.125 42 HA PRO 8 HA PRO 8 5.055 5.172 0.033 43 HB2 PRO 8 HB2 PRO 8 7.133 5.562 2.003 44 HB3 PRO 8 HB1 PRO 8 6.122 6.788 1.231 45 HG2 PRO 8 HG2 PRO 8 5.962 6.184 3.886 46 HG3 PRO 8 HG1 PRO 8 4.602 6.821 2.939 47 HD2 PRO 8 HD2 PRO 8 5.193 3.983 3.706 48 HD3 PRO 8 HD1 PRO 8 3.647 4.856 3.757 49 H ALA 9 HN ALA 9 4.875 2.341 0.747 50 HA ALA 9 HA ALA 9 7.315 1.397 -0.472 51 HB1 ALA 9 HB1 ALA 9 6.608 0.418 2.300 52 HB2 ALA 9 HB2 ALA 9 7.980 1.450 1.895 53 HB3 ALA 9 HB3 ALA 9 7.906 -0.201 1.279 54 H CYS 10 HN CYS 10 4.061 1.292 0.000 55 HA CYS 10 HA CYS 10 2.335 0.014 -0.707 56 HB2 CYS 10 HB2 CYS 10 3.633 -0.085 -2.828 57 HB3 CYS 10 HB1 CYS 10 4.398 -1.567 -2.267 58 H THR 11 HN THR 11 3.513 -0.603 1.768 59 HA THR 11 HA THR 11 2.741 -3.425 2.036 60 HB THR 11 HB THR 11 4.935 -2.383 3.795 61 HG1 THR 11 HG1 THR 11 6.090 -3.688 1.817 62 HG21 THR 11 HG21 THR 11 3.942 -4.573 4.269 63 HG22 THR 11 HG22 THR 11 5.626 -4.739 3.772 64 HG23 THR 11 HG23 THR 11 4.330 -5.109 2.634 65 H GLY 12 HN GLY 12 1.140 -1.130 2.461 66 HA2 GLY 12 HA2 GLY 12 0.538 -1.456 5.321 67 HA3 GLY 12 HA1 GLY 12 0.689 0.162 4.674 68 H CYS 13 HN CYS 13 -1.109 -2.820 4.447 69 HA CYS 13 HA CYS 13 -3.303 -1.472 3.048 70 HB2 CYS 13 HB2 CYS 13 -2.631 -4.379 3.479 71 HB3 CYS 13 HB1 CYS 13 -4.200 -3.864 2.869 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 1.163 3.694 -3.957 2 H2 CYS 1 HT2 CYS 1 0.277 4.814 -3.051 3 H3 CYS 1 HT3 CYS 1 -0.005 4.659 -4.711 4 HA CYS 1 HA CYS 1 -0.520 2.575 -2.671 5 HB2 CYS 1 HB2 CYS 1 -2.494 4.199 -4.291 6 HB3 CYS 1 HB1 CYS 1 -2.876 3.009 -3.052 7 H CYS 2 HN CYS 2 -0.853 0.576 -3.427 8 HA CYS 2 HA CYS 2 -0.633 0.145 -6.314 9 HB2 CYS 2 HB2 CYS 2 -0.445 -1.883 -4.073 10 HB3 CYS 2 HB1 CYS 2 -0.044 -2.152 -5.766 11 H GLU 3 HN GLU 3 -2.547 -1.119 -3.572 12 HA GLU 3 HA GLU 3 -4.948 -1.135 -5.219 13 HB2 GLU 3 HB2 GLU 3 -3.705 -3.609 -4.035 14 HB3 GLU 3 HB1 GLU 3 -5.442 -3.509 -4.276 15 HG2 GLU 3 HG2 GLU 3 -5.084 -3.116 -6.664 16 HG3 GLU 3 HG1 GLU 3 -3.342 -3.220 -6.415 17 H LEU 4 HN LEU 4 -3.944 -2.521 -2.088 18 HA LEU 4 HA LEU 4 -6.033 -0.924 -0.763 19 HB2 LEU 4 HB2 LEU 4 -4.762 -3.509 0.152 20 HB3 LEU 4 HB1 LEU 4 -6.014 -2.631 1.007 21 HG LEU 4 HG LEU 4 -6.545 -3.584 -1.780 22 HD11 LEU 4 HD11 LEU 4 -5.629 -5.533 -0.655 23 HD12 LEU 4 HD12 LEU 4 -7.369 -5.711 -0.882 24 HD13 LEU 4 HD13 LEU 4 -6.726 -5.284 0.704 25 HD21 LEU 4 HD21 LEU 4 -8.175 -2.127 -0.686 26 HD22 LEU 4 HD22 LEU 4 -8.279 -3.249 0.670 27 HD23 LEU 4 HD23 LEU 4 -8.836 -3.744 -0.928 28 H CYS 5 HN CYS 5 -2.677 -1.598 -0.945 29 HA CYS 5 HA CYS 5 -2.008 -0.318 1.574 30 HB2 CYS 5 HB2 CYS 5 -0.352 -1.656 -0.559 31 HB3 CYS 5 HB1 CYS 5 0.371 -0.794 0.790 32 H CYS 6 HN CYS 6 -1.917 1.721 1.776 33 HA CYS 6 HA CYS 6 -1.085 3.292 -0.518 34 HB2 CYS 6 HB2 CYS 6 -3.206 3.647 1.471 35 HB3 CYS 6 HB1 CYS 6 -2.270 5.102 1.163 36 H ASN 7 HN ASN 7 0.745 2.026 1.252 37 HA ASN 7 HA ASN 7 1.852 4.076 2.980 38 HB2 ASN 7 HB2 ASN 7 1.666 1.324 3.040 39 HB3 ASN 7 HB1 ASN 7 3.331 1.588 2.627 40 HD21 ASN 7 HD21 ASN 7 3.300 0.357 4.691 41 HD22 ASN 7 HD22 ASN 7 3.388 1.283 6.127 42 HA PRO 8 HA PRO 8 5.054 5.168 0.028 43 HB2 PRO 8 HB2 PRO 8 7.132 5.563 1.997 44 HB3 PRO 8 HB1 PRO 8 6.121 6.788 1.224 45 HG2 PRO 8 HG2 PRO 8 5.962 6.188 3.879 46 HG3 PRO 8 HG1 PRO 8 4.602 6.823 2.932 47 HD2 PRO 8 HD2 PRO 8 5.192 3.987 3.703 48 HD3 PRO 8 HD1 PRO 8 3.647 4.860 3.754 49 H ALA 9 HN ALA 9 4.874 2.339 0.747 50 HA ALA 9 HA ALA 9 7.316 1.394 -0.468 51 HB1 ALA 9 HB1 ALA 9 7.972 1.452 1.904 52 HB2 ALA 9 HB2 ALA 9 7.908 -0.198 1.286 53 HB3 ALA 9 HB3 ALA 9 6.603 0.413 2.302 54 H CYS 10 HN CYS 10 4.061 1.289 0.002 55 HA CYS 10 HA CYS 10 2.336 0.011 -0.706 56 HB2 CYS 10 HB2 CYS 10 3.636 -0.088 -2.826 57 HB3 CYS 10 HB1 CYS 10 4.398 -1.572 -2.263 58 H THR 11 HN THR 11 3.514 -0.606 1.770 59 HA THR 11 HA THR 11 2.740 -3.427 2.039 60 HB THR 11 HB THR 11 4.933 -2.386 3.799 61 HG1 THR 11 HG1 THR 11 5.227 -2.305 1.230 62 HG21 THR 11 HG21 THR 11 5.626 -4.744 3.770 63 HG22 THR 11 HG22 THR 11 4.327 -5.111 2.635 64 HG23 THR 11 HG23 THR 11 3.943 -4.576 4.271 65 H GLY 12 HN GLY 12 1.141 -1.131 2.462 66 HA2 GLY 12 HA2 GLY 12 0.538 -1.455 5.322 67 HA3 GLY 12 HA1 GLY 12 0.689 0.163 4.674 68 H CYS 13 HN CYS 13 -1.107 -2.820 4.445 69 HA CYS 13 HA CYS 13 -3.303 -1.473 3.047 70 HB2 CYS 13 HB2 CYS 13 -2.630 -4.380 3.476 71 HB3 CYS 13 HB1 CYS 13 -4.198 -3.865 2.866 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 1.152 3.682 -3.939 2 H2 CYS 1 HT2 CYS 1 0.263 4.800 -3.033 3 H3 CYS 1 HT3 CYS 1 -0.010 4.651 -4.695 4 HA CYS 1 HA CYS 1 -0.539 2.561 -2.665 5 HB2 CYS 1 HB2 CYS 1 -2.507 4.186 -4.292 6 HB3 CYS 1 HB1 CYS 1 -2.891 3.003 -3.046 7 H CYS 2 HN CYS 2 -0.852 0.565 -3.431 8 HA CYS 2 HA CYS 2 -0.634 0.146 -6.320 9 HB2 CYS 2 HB2 CYS 2 -0.432 -1.891 -4.090 10 HB3 CYS 2 HB1 CYS 2 -0.028 -2.147 -5.784 11 H GLU 3 HN GLU 3 -2.539 -1.128 -3.577 12 HA GLU 3 HA GLU 3 -4.936 -1.171 -5.233 13 HB2 GLU 3 HB2 GLU 3 -3.685 -3.621 -4.005 14 HB3 GLU 3 HB1 GLU 3 -5.421 -3.535 -4.261 15 HG2 GLU 3 HG2 GLU 3 -5.050 -3.177 -6.651 16 HG3 GLU 3 HG1 GLU 3 -3.309 -3.262 -6.390 17 H LEU 4 HN LEU 4 -3.939 -2.509 -2.079 18 HA LEU 4 HA LEU 4 -6.033 -0.892 -0.783 19 HB2 LEU 4 HB2 LEU 4 -4.787 -3.476 0.168 20 HB3 LEU 4 HB1 LEU 4 -6.043 -2.583 1.000 21 HG LEU 4 HG LEU 4 -6.547 -3.565 -1.782 22 HD11 LEU 4 HD11 LEU 4 -6.773 -5.231 0.721 23 HD12 LEU 4 HD12 LEU 4 -5.660 -5.505 -0.619 24 HD13 LEU 4 HD13 LEU 4 -7.398 -5.674 -0.868 25 HD21 LEU 4 HD21 LEU 4 -8.850 -3.698 -0.958 26 HD22 LEU 4 HD22 LEU 4 -8.181 -2.082 -0.731 27 HD23 LEU 4 HD23 LEU 4 -8.310 -3.183 0.640 28 H CYS 5 HN CYS 5 -2.682 -1.598 -0.937 29 HA CYS 5 HA CYS 5 -2.012 -0.309 1.576 30 HB2 CYS 5 HB2 CYS 5 -0.357 -1.650 -0.556 31 HB3 CYS 5 HB1 CYS 5 0.367 -0.792 0.795 32 H CYS 6 HN CYS 6 -1.933 1.730 1.773 33 HA CYS 6 HA CYS 6 -1.089 3.300 -0.516 34 HB2 CYS 6 HB2 CYS 6 -3.209 3.661 1.476 35 HB3 CYS 6 HB1 CYS 6 -2.273 5.114 1.158 36 H ASN 7 HN ASN 7 0.737 2.031 1.252 37 HA ASN 7 HA ASN 7 1.845 4.076 2.984 38 HB2 ASN 7 HB2 ASN 7 1.655 1.325 3.042 39 HB3 ASN 7 HB1 ASN 7 3.320 1.585 2.627 40 HD21 ASN 7 HD21 ASN 7 3.301 0.355 4.687 41 HD22 ASN 7 HD22 ASN 7 3.388 1.278 6.125 42 HA PRO 8 HA PRO 8 5.050 5.170 0.037 43 HB2 PRO 8 HB2 PRO 8 7.126 5.564 2.008 44 HB3 PRO 8 HB1 PRO 8 6.114 6.789 1.234 45 HG2 PRO 8 HG2 PRO 8 5.953 6.188 3.889 46 HG3 PRO 8 HG1 PRO 8 4.593 6.823 2.941 47 HD2 PRO 8 HD2 PRO 8 5.185 3.987 3.711 48 HD3 PRO 8 HD1 PRO 8 3.639 4.858 3.761 49 H ALA 9 HN ALA 9 4.871 2.340 0.754 50 HA ALA 9 HA ALA 9 7.317 1.398 -0.457 51 HB1 ALA 9 HB1 ALA 9 7.897 -0.202 1.297 52 HB2 ALA 9 HB2 ALA 9 6.596 0.419 2.312 53 HB3 ALA 9 HB3 ALA 9 7.970 1.449 1.913 54 H CYS 10 HN CYS 10 4.059 1.290 0.001 55 HA CYS 10 HA CYS 10 2.338 0.010 -0.713 56 HB2 CYS 10 HB2 CYS 10 3.640 -0.078 -2.831 57 HB3 CYS 10 HB1 CYS 10 4.409 -1.560 -2.274 58 H THR 11 HN THR 11 3.514 -0.615 1.763 59 HA THR 11 HA THR 11 2.737 -3.437 2.020 60 HB THR 11 HB THR 11 4.942 -2.413 3.776 61 HG1 THR 11 HG1 THR 11 6.284 -3.548 1.983 62 HG21 THR 11 HG21 THR 11 4.320 -5.129 2.599 63 HG22 THR 11 HG22 THR 11 3.946 -4.602 4.240 64 HG23 THR 11 HG23 THR 11 5.626 -4.773 3.731 65 H GLY 12 HN GLY 12 1.148 -1.137 2.461 66 HA2 GLY 12 HA2 GLY 12 0.553 -1.475 5.321 67 HA3 GLY 12 HA1 GLY 12 0.712 0.146 4.684 68 H CYS 13 HN CYS 13 -1.106 -2.822 4.449 69 HA CYS 13 HA CYS 13 -3.294 -1.456 3.058 70 HB2 CYS 13 HB2 CYS 13 -2.642 -4.369 3.482 71 HB3 CYS 13 HB1 CYS 13 -4.208 -3.842 2.878
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