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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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4806 |
1ful ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -4.950 -4.412 -5.801 2 2H ALA 1 HT2 ALA 1 -6.256 -5.228 -5.083 3 3H ALA 1 HT3 ALA 1 -4.739 -5.209 -4.319 4 HA ALA 1 HA ALA 1 -6.405 -2.790 -4.804 5 1HB ALA 1 HB1 ALA 1 -7.115 -3.059 -2.529 6 2HB ALA 1 HB2 ALA 1 -5.921 -4.325 -2.238 7 3HB ALA 1 HB3 ALA 1 -7.304 -4.641 -3.286 8 H CYS 2 HN CYS 2 -5.565 -0.983 -3.407 9 HA CYS 2 HA CYS 2 -2.694 -1.259 -2.664 10 1HB CYS 2 HB2 CYS 2 -2.536 -0.298 -4.822 11 2HB CYS 2 HB1 CYS 2 -3.997 0.658 -4.601 12 H ASP 3 HN ASP 3 -3.089 -1.040 -0.509 13 HA ASP 3 HA ASP 3 -4.482 1.436 0.402 14 1HB ASP 3 HB2 ASP 3 -4.430 0.169 2.648 15 2HB ASP 3 HB1 ASP 3 -5.497 -0.486 1.412 16 H CYS 4 HN CYS 4 -1.825 -0.673 1.399 17 HA CYS 4 HA CYS 4 0.040 1.562 1.278 18 1HB CYS 4 HB2 CYS 4 0.619 1.337 3.651 19 2HB CYS 4 HB1 CYS 4 -1.083 1.726 3.473 20 H ARG 5 HN ARG 5 -0.169 -0.881 -0.256 21 HA ARG 5 HA ARG 5 2.397 -2.140 0.504 22 1HB ARG 5 HB2 ARG 5 -0.228 -3.587 0.156 23 2HB ARG 5 HB1 ARG 5 1.328 -4.395 0.335 24 1HG ARG 5 HG2 ARG 5 1.577 -3.035 2.513 25 2HG ARG 5 HG1 ARG 5 -0.151 -2.715 2.359 26 1HD ARG 5 HD2 ARG 5 0.979 -5.528 2.256 27 2HD ARG 5 HD1 ARG 5 0.446 -4.767 3.768 28 HE ARG 5 HE ARG 5 -1.809 -4.708 2.907 29 1HH1 ARG 5 HH11 ARG 5 -0.316 -7.326 1.796 30 2HH1 ARG 5 HH12 ARG 5 -1.114 -7.435 0.263 31 1HH2 ARG 5 HH21 ARG 5 -2.495 -4.261 0.456 32 2HH2 ARG 5 HH22 ARG 5 -2.347 -5.700 -0.496 33 H GLY 6 HN GLY 6 -0.200 -2.136 -1.905 34 1HA GLY 6 HA2 GLY 6 1.413 -3.427 -3.944 35 2HA GLY 6 HA1 GLY 6 -0.106 -2.572 -4.237 36 H ASP 7 HN ASP 7 -0.035 -0.378 -4.826 37 HA ASP 7 HA ASP 7 2.677 0.655 -5.536 38 1HB ASP 7 HB2 ASP 7 1.400 2.170 -7.008 39 2HB ASP 7 HB1 ASP 7 0.905 0.502 -7.282 40 H CYS 8 HN CYS 8 1.573 0.515 -2.828 41 HA CYS 8 HA CYS 8 1.862 3.345 -2.029 42 1HB CYS 8 HB2 CYS 8 -0.130 2.504 -0.361 43 2HB CYS 8 HB1 CYS 8 -0.452 3.342 -1.874 44 H PHE 9 HN PHE 9 2.416 3.304 0.461 45 HA PHE 9 HA PHE 9 3.468 0.588 1.187 46 1HB PHE 9 HB2 PHE 9 5.582 1.714 1.871 47 2HB PHE 9 HB1 PHE 9 5.248 1.878 0.148 48 HD1 PHE 9 HD1 PHE 9 5.754 3.617 3.281 49 HD2 PHE 9 HD2 PHE 9 4.209 4.034 -0.705 50 HE1 PHE 9 HE1 PHE 9 5.853 6.085 3.501 51 HE2 PHE 9 HE2 PHE 9 4.306 6.503 -0.484 52 HZ PHE 9 HZ PHE 9 5.128 7.528 1.619 53 H CYS 10 HN CYS 10 3.047 -0.010 3.190 54 HA CYS 10 HA CYS 10 1.651 1.733 5.079 55 1HB CYS 10 HB2 CYS 10 2.069 -1.043 4.564 56 2HB CYS 10 HB1 CYS 10 2.596 -0.739 6.217 57 H GLY 11 HN GLY 11 4.877 1.496 4.360 58 1HA GLY 11 HA2 GLY 11 5.948 3.117 6.259 59 2HA GLY 11 HA1 GLY 11 5.904 1.575 7.111 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 -6.579 2.811 -5.181 2 2H ALA 1 HT2 ALA 1 -7.858 1.819 -5.696 3 3H ALA 1 HT3 ALA 1 -6.251 1.301 -5.883 4 HA ALA 1 HA ALA 1 -7.654 1.713 -3.289 5 1HB ALA 1 HB1 ALA 1 -7.064 -0.584 -5.127 6 2HB ALA 1 HB2 ALA 1 -8.527 -0.245 -4.202 7 3HB ALA 1 HB3 ALA 1 -7.097 -0.881 -3.389 8 H CYS 2 HN CYS 2 -6.226 2.049 -1.639 9 HA CYS 2 HA CYS 2 -3.423 1.053 -1.928 10 1HB CYS 2 HB2 CYS 2 -3.259 3.333 -2.529 11 2HB CYS 2 HB1 CYS 2 -4.476 3.823 -1.366 12 H ASP 3 HN ASP 3 -3.954 -0.623 -0.473 13 HA ASP 3 HA ASP 3 -4.781 0.186 2.263 14 1HB ASP 3 HB2 ASP 3 -4.760 -2.362 2.586 15 2HB ASP 3 HB1 ASP 3 -5.916 -1.794 1.388 16 H CYS 4 HN CYS 4 -2.210 -1.517 0.528 17 HA CYS 4 HA CYS 4 -0.137 -0.217 1.994 18 1HB CYS 4 HB2 CYS 4 0.625 -2.108 3.308 19 2HB CYS 4 HB1 CYS 4 -1.061 -1.752 3.682 20 H ARG 5 HN ARG 5 -0.717 -0.597 -0.785 21 HA ARG 5 HA ARG 5 1.742 -2.033 -1.609 22 1HB ARG 5 HB2 ARG 5 -1.089 -2.735 -2.355 23 2HB ARG 5 HB1 ARG 5 0.276 -3.235 -3.355 24 1HG ARG 5 HG2 ARG 5 1.256 -4.083 -1.060 25 2HG ARG 5 HG1 ARG 5 -0.439 -4.082 -0.571 26 1HD ARG 5 HD2 ARG 5 0.670 -5.506 -3.020 27 2HD ARG 5 HD1 ARG 5 0.197 -6.292 -1.500 28 HE ARG 5 HE ARG 5 -1.634 -5.386 -3.539 29 1HH1 ARG 5 HH11 ARG 5 -1.477 -6.918 -0.608 30 2HH1 ARG 5 HH12 ARG 5 -3.007 -6.366 -0.013 31 1HH2 ARG 5 HH21 ARG 5 -3.474 -4.075 -2.575 32 2HH2 ARG 5 HH22 ARG 5 -4.137 -4.753 -1.125 33 H GLY 6 HN GLY 6 -1.019 -0.101 -2.678 34 1HA GLY 6 HA2 GLY 6 0.136 0.598 -5.244 35 2HA GLY 6 HA1 GLY 6 -1.234 1.415 -4.476 36 H ASP 7 HN ASP 7 -0.835 3.240 -3.149 37 HA ASP 7 HA ASP 7 1.927 4.368 -3.384 38 1HB ASP 7 HB2 ASP 7 0.773 6.505 -2.845 39 2HB ASP 7 HB1 ASP 7 0.027 5.714 -4.231 40 H CYS 8 HN CYS 8 1.121 2.227 -1.563 41 HA CYS 8 HA CYS 8 2.025 3.410 0.998 42 1HB CYS 8 HB2 CYS 8 0.153 1.704 1.952 43 2HB CYS 8 HB1 CYS 8 -0.214 3.387 1.606 44 H PHE 9 HN PHE 9 2.734 1.443 2.476 45 HA PHE 9 HA PHE 9 3.510 -0.872 0.721 46 1HB PHE 9 HB2 PHE 9 5.805 -0.675 1.660 47 2HB PHE 9 HB1 PHE 9 5.322 0.767 0.774 48 HD1 PHE 9 HD1 PHE 9 6.377 -0.571 3.966 49 HD2 PHE 9 HD2 PHE 9 4.483 2.786 2.070 50 HE1 PHE 9 HE1 PHE 9 6.819 0.815 5.975 51 HE2 PHE 9 HE2 PHE 9 4.923 4.169 4.080 52 HZ PHE 9 HZ PHE 9 6.091 3.184 6.033 53 H CYS 10 HN CYS 10 2.713 -2.675 1.643 54 HA CYS 10 HA CYS 10 1.942 -2.972 4.382 55 1HB CYS 10 HB2 CYS 10 1.952 -4.445 1.923 56 2HB CYS 10 HB1 CYS 10 2.639 -5.488 3.166 57 H GLY 11 HN GLY 11 5.005 -3.201 2.837 58 1HA GLY 11 HA2 GLY 11 7.155 -3.507 3.766 59 2HA GLY 11 HA1 GLY 11 6.393 -3.569 5.358 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 7.903 -0.513 4.341 2 2H ALA 1 HT2 ALA 1 9.263 -1.260 3.649 3 3H ALA 1 HT3 ALA 1 7.820 -2.134 3.847 4 HA ALA 1 HA ALA 1 8.260 0.157 1.998 5 1HB ALA 1 HB1 ALA 1 7.631 -1.843 0.426 6 2HB ALA 1 HB2 ALA 1 8.058 -2.843 1.815 7 3HB ALA 1 HB3 ALA 1 9.261 -1.772 1.096 8 H CYS 2 HN CYS 2 6.388 1.329 1.833 9 HA CYS 2 HA CYS 2 3.787 -0.122 1.830 10 1HB CYS 2 HB2 CYS 2 3.830 0.700 4.033 11 2HB CYS 2 HB1 CYS 2 4.710 2.156 3.579 12 H ASP 3 HN ASP 3 3.367 0.216 -0.264 13 HA ASP 3 HA ASP 3 3.443 2.997 -1.348 14 1HB ASP 3 HB2 ASP 3 3.439 0.218 -2.557 15 2HB ASP 3 HB1 ASP 3 3.118 1.652 -3.534 16 H CYS 4 HN CYS 4 1.529 0.122 -2.012 17 HA CYS 4 HA CYS 4 -0.886 1.435 -0.980 18 1HB CYS 4 HB2 CYS 4 -2.040 1.015 -3.121 19 2HB CYS 4 HB1 CYS 4 -0.670 2.092 -3.337 20 H ARG 5 HN ARG 5 0.711 -0.765 0.018 21 HA ARG 5 HA ARG 5 -1.344 -2.874 -0.057 22 1HB ARG 5 HB2 ARG 5 0.313 -4.592 -0.688 23 2HB ARG 5 HB1 ARG 5 0.155 -3.352 -1.931 24 1HG ARG 5 HG2 ARG 5 2.182 -2.275 -1.242 25 2HG ARG 5 HG1 ARG 5 2.270 -3.239 0.230 26 1HD ARG 5 HD2 ARG 5 2.116 -5.066 -1.962 27 2HD ARG 5 HD1 ARG 5 3.370 -3.868 -2.338 28 HE ARG 5 HE ARG 5 4.560 -4.530 -0.359 29 1HH1 ARG 5 HH11 ARG 5 1.808 -4.971 1.096 30 2HH1 ARG 5 HH12 ARG 5 1.970 -6.645 1.509 31 1HH2 ARG 5 HH21 ARG 5 4.657 -7.182 -0.616 32 2HH2 ARG 5 HH22 ARG 5 3.583 -7.896 0.541 33 H GLY 6 HN GLY 6 1.681 -1.802 1.427 34 1HA GLY 6 HA2 GLY 6 1.532 -3.739 3.595 35 2HA GLY 6 HA1 GLY 6 2.563 -2.300 3.576 36 H ASP 7 HN ASP 7 1.801 -0.394 4.528 37 HA ASP 7 HA ASP 7 -0.744 -0.660 6.076 38 1HB ASP 7 HB2 ASP 7 0.189 1.167 7.424 39 2HB ASP 7 HB1 ASP 7 1.403 -0.097 7.249 40 H CYS 8 HN CYS 8 -0.562 -0.226 3.204 41 HA CYS 8 HA CYS 8 -2.133 2.275 2.961 42 1HB CYS 8 HB2 CYS 8 -0.608 2.268 0.670 43 2HB CYS 8 HB1 CYS 8 -0.200 3.204 2.101 44 H PHE 9 HN PHE 9 -3.293 2.088 0.650 45 HA PHE 9 HA PHE 9 -3.557 -0.819 -0.043 46 1HB PHE 9 HB2 PHE 9 -6.027 -0.494 0.003 47 2HB PHE 9 HB1 PHE 9 -5.274 -0.239 1.576 48 HD1 PHE 9 HD1 PHE 9 -7.187 1.263 -1.114 49 HD2 PHE 9 HD2 PHE 9 -4.821 2.114 2.367 50 HE1 PHE 9 HE1 PHE 9 -8.136 3.553 -1.030 51 HE2 PHE 9 HE2 PHE 9 -5.768 4.404 2.451 52 HZ PHE 9 HZ PHE 9 -7.425 5.123 0.753 53 H CYS 10 HN CYS 10 -3.539 -1.213 -2.132 54 HA CYS 10 HA CYS 10 -3.577 0.935 -4.150 55 1HB CYS 10 HB2 CYS 10 -2.580 -1.715 -3.808 56 2HB CYS 10 HB1 CYS 10 -3.670 -1.760 -5.191 57 H GLY 11 HN GLY 11 -6.118 0.023 -2.549 58 1HA GLY 11 HA2 GLY 11 -8.407 0.137 -3.143 59 2HA GLY 11 HA1 GLY 11 -7.934 0.150 -4.843 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 -7.312 -1.683 -4.179 2 2H ALA 1 HT2 ALA 1 -6.926 -0.651 -5.472 3 3H ALA 1 HT3 ALA 1 -8.533 -0.781 -4.937 4 HA ALA 1 HA ALA 1 -7.637 1.275 -4.106 5 1HB ALA 1 HB1 ALA 1 -8.978 -0.635 -2.757 6 2HB ALA 1 HB2 ALA 1 -8.539 0.906 -2.019 7 3HB ALA 1 HB3 ALA 1 -7.547 -0.524 -1.732 8 H CYS 2 HN CYS 2 -6.089 2.061 -2.238 9 HA CYS 2 HA CYS 2 -3.488 0.608 -2.347 10 1HB CYS 2 HB2 CYS 2 -3.171 2.251 -3.998 11 2HB CYS 2 HB1 CYS 2 -4.208 3.409 -3.182 12 H ASP 3 HN ASP 3 -3.752 0.003 -0.172 13 HA ASP 3 HA ASP 3 -4.090 2.169 1.834 14 1HB ASP 3 HB2 ASP 3 -4.281 0.173 3.404 15 2HB ASP 3 HB1 ASP 3 -5.527 0.235 2.160 16 H CYS 4 HN CYS 4 -2.028 -0.589 1.047 17 HA CYS 4 HA CYS 4 0.315 1.010 1.352 18 1HB CYS 4 HB2 CYS 4 1.183 -0.121 3.313 19 2HB CYS 4 HB1 CYS 4 -0.395 0.557 3.693 20 H ARG 5 HN ARG 5 -0.791 -0.631 -0.777 21 HA ARG 5 HA ARG 5 1.435 -2.581 -1.066 22 1HB ARG 5 HB2 ARG 5 -1.515 -3.145 -1.067 23 2HB ARG 5 HB1 ARG 5 -0.374 -4.252 -1.827 24 1HG ARG 5 HG2 ARG 5 0.888 -4.050 0.490 25 2HG ARG 5 HG1 ARG 5 -0.700 -3.553 1.075 26 1HD ARG 5 HD2 ARG 5 -0.120 -6.136 -0.428 27 2HD ARG 5 HD1 ARG 5 -0.439 -6.001 1.312 28 HE ARG 5 HE ARG 5 -2.450 -5.893 -0.763 29 1HH1 ARG 5 HH11 ARG 5 -2.031 -5.921 2.518 30 2HH1 ARG 5 HH12 ARG 5 -3.385 -4.912 2.902 31 1HH2 ARG 5 HH21 ARG 5 -3.978 -4.000 -0.389 32 2HH2 ARG 5 HH22 ARG 5 -4.486 -3.824 1.258 33 H GLY 6 HN GLY 6 -1.312 -1.046 -2.690 34 1HA GLY 6 HA2 GLY 6 -0.489 -1.869 -5.345 35 2HA GLY 6 HA1 GLY 6 -1.674 -0.605 -4.991 36 H ASP 7 HN ASP 7 -0.952 1.559 -4.787 37 HA ASP 7 HA ASP 7 1.806 2.026 -5.826 38 1HB ASP 7 HB2 ASP 7 0.917 4.308 -6.272 39 2HB ASP 7 HB1 ASP 7 -0.077 3.058 -7.018 40 H CYS 8 HN CYS 8 1.119 1.171 -3.077 41 HA CYS 8 HA CYS 8 2.552 3.299 -1.605 42 1HB CYS 8 HB2 CYS 8 0.716 2.539 0.243 43 2HB CYS 8 HB1 CYS 8 0.441 3.879 -0.859 44 H PHE 9 HN PHE 9 3.368 2.197 0.564 45 HA PHE 9 HA PHE 9 3.599 -0.764 0.170 46 1HB PHE 9 HB2 PHE 9 6.051 -0.531 0.600 47 2HB PHE 9 HB1 PHE 9 5.538 0.313 -0.859 48 HD1 PHE 9 HD1 PHE 9 7.034 0.644 2.423 49 HD2 PHE 9 HD2 PHE 9 5.159 2.819 -0.773 50 HE1 PHE 9 HE1 PHE 9 7.975 2.760 3.309 51 HE2 PHE 9 HE2 PHE 9 6.099 4.934 0.118 52 HZ PHE 9 HZ PHE 9 7.508 4.905 2.157 53 H CYS 10 HN CYS 10 2.987 -1.758 1.987 54 HA CYS 10 HA CYS 10 2.586 -0.436 4.511 55 1HB CYS 10 HB2 CYS 10 2.173 -2.975 3.258 56 2HB CYS 10 HB1 CYS 10 2.956 -3.264 4.804 57 H GLY 11 HN GLY 11 5.357 -1.757 3.034 58 1HA GLY 11 HA2 GLY 11 7.584 -1.383 3.875 59 2HA GLY 11 HA1 GLY 11 6.917 -1.262 5.500 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 -6.431 -1.932 -6.046 2 2H ALA 1 HT2 ALA 1 -6.613 -0.243 -6.078 3 3H ALA 1 HT3 ALA 1 -7.983 -1.248 -6.032 4 HA ALA 1 HA ALA 1 -7.694 -0.390 -3.840 5 1HB ALA 1 HB1 ALA 1 -8.067 -2.929 -4.495 6 2HB ALA 1 HB2 ALA 1 -7.824 -2.482 -2.806 7 3HB ALA 1 HB3 ALA 1 -6.483 -3.138 -3.746 8 H CYS 2 HN CYS 2 -6.207 0.870 -2.784 9 HA CYS 2 HA CYS 2 -3.399 -0.113 -2.524 10 1HB CYS 2 HB2 CYS 2 -3.212 1.431 -4.306 11 2HB CYS 2 HB1 CYS 2 -4.441 2.496 -3.637 12 H ASP 3 HN ASP 3 -3.577 -0.499 -0.374 13 HA ASP 3 HA ASP 3 -4.487 1.710 1.413 14 1HB ASP 3 HB2 ASP 3 -4.608 -1.210 1.412 15 2HB ASP 3 HB1 ASP 3 -3.866 -0.606 2.893 16 H CYS 4 HN CYS 4 -2.150 -0.889 1.671 17 HA CYS 4 HA CYS 4 0.085 1.006 1.694 18 1HB CYS 4 HB2 CYS 4 0.828 0.114 3.884 19 2HB CYS 4 HB1 CYS 4 -0.729 0.912 4.006 20 H ARG 5 HN ARG 5 -0.670 -0.913 -0.272 21 HA ARG 5 HA ARG 5 1.628 -2.746 -0.104 22 1HB ARG 5 HB2 ARG 5 -1.263 -3.530 -0.169 23 2HB ARG 5 HB1 ARG 5 -0.017 -4.635 -0.748 24 1HG ARG 5 HG2 ARG 5 1.157 -4.284 1.486 25 2HG ARG 5 HG1 ARG 5 -0.315 -3.478 2.032 26 1HD ARG 5 HD2 ARG 5 -0.183 -6.321 0.955 27 2HD ARG 5 HD1 ARG 5 -0.352 -5.875 2.664 28 HE ARG 5 HE ARG 5 -2.460 -5.722 0.659 29 1HH1 ARG 5 HH11 ARG 5 -1.971 -5.753 3.895 30 2HH1 ARG 5 HH12 ARG 5 -3.111 -4.512 4.299 31 1HH2 ARG 5 HH21 ARG 5 -3.587 -3.512 1.011 32 2HH2 ARG 5 HH22 ARG 5 -4.027 -3.242 2.664 33 H GLY 6 HN GLY 6 -1.089 -1.717 -2.125 34 1HA GLY 6 HA2 GLY 6 0.069 -2.803 -4.560 35 2HA GLY 6 HA1 GLY 6 -1.257 -1.634 -4.496 36 H ASP 7 HN ASP 7 -0.768 0.585 -4.611 37 HA ASP 7 HA ASP 7 2.043 1.213 -5.403 38 1HB ASP 7 HB2 ASP 7 1.022 3.246 -6.358 39 2HB ASP 7 HB1 ASP 7 0.159 1.816 -6.921 40 H CYS 8 HN CYS 8 1.114 0.681 -2.665 41 HA CYS 8 HA CYS 8 2.065 3.157 -1.351 42 1HB CYS 8 HB2 CYS 8 0.077 2.291 0.345 43 2HB CYS 8 HB1 CYS 8 -0.149 3.563 -0.846 44 H PHE 9 HN PHE 9 2.712 2.450 1.036 45 HA PHE 9 HA PHE 9 3.359 -0.485 1.024 46 1HB PHE 9 HB2 PHE 9 5.658 0.139 1.753 47 2HB PHE 9 HB1 PHE 9 5.260 0.761 0.153 48 HD1 PHE 9 HD1 PHE 9 4.535 3.179 -0.084 49 HD2 PHE 9 HD2 PHE 9 6.194 1.601 3.550 50 HE1 PHE 9 HE1 PHE 9 5.026 5.482 0.693 51 HE2 PHE 9 HE2 PHE 9 6.684 3.906 4.327 52 HZ PHE 9 HZ PHE 9 6.099 5.846 2.898 53 H CYS 10 HN CYS 10 2.900 -1.469 2.864 54 HA CYS 10 HA CYS 10 2.009 -0.017 5.249 55 1HB CYS 10 HB2 CYS 10 1.733 -2.572 4.038 56 2HB CYS 10 HB1 CYS 10 2.462 -2.851 5.616 57 H GLY 11 HN GLY 11 5.061 -0.609 4.151 58 1HA GLY 11 HA2 GLY 11 6.221 -0.273 6.810 59 2HA GLY 11 HA1 GLY 11 6.586 -1.839 6.082 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 8.731 -0.412 4.553 2 2H ALA 1 HT2 ALA 1 7.299 -1.230 4.143 3 3H ALA 1 HT3 ALA 1 7.232 0.196 5.064 4 HA ALA 1 HA ALA 1 8.171 1.434 3.144 5 1HB ALA 1 HB1 ALA 1 7.781 -1.321 1.930 6 2HB ALA 1 HB2 ALA 1 9.319 -0.495 2.182 7 3HB ALA 1 HB3 ALA 1 8.167 0.128 1.001 8 H CYS 2 HN CYS 2 6.620 1.717 1.031 9 HA CYS 2 HA CYS 2 3.807 1.079 1.784 10 1HB CYS 2 HB2 CYS 2 4.101 3.262 2.663 11 2HB CYS 2 HB1 CYS 2 5.097 3.771 1.305 12 H ASP 3 HN ASP 3 3.491 -0.241 0.088 13 HA ASP 3 HA ASP 3 4.000 0.774 -2.673 14 1HB ASP 3 HB2 ASP 3 3.778 -1.888 -1.315 15 2HB ASP 3 HB1 ASP 3 3.248 -1.789 -2.995 16 H CYS 4 HN CYS 4 1.649 -1.390 -1.214 17 HA CYS 4 HA CYS 4 -0.523 0.505 -1.737 18 1HB CYS 4 HB2 CYS 4 -1.725 -1.216 -3.044 19 2HB CYS 4 HB1 CYS 4 -0.215 -0.762 -3.813 20 H ARG 5 HN ARG 5 0.730 -0.492 0.700 21 HA ARG 5 HA ARG 5 -1.621 -1.831 1.892 22 1HB ARG 5 HB2 ARG 5 1.070 -2.938 1.455 23 2HB ARG 5 HB1 ARG 5 0.385 -3.241 3.052 24 1HG ARG 5 HG2 ARG 5 -1.293 -4.576 2.233 25 2HG ARG 5 HG1 ARG 5 -1.409 -3.682 0.717 26 1HD ARG 5 HD2 ARG 5 -0.456 -5.826 0.161 27 2HD ARG 5 HD1 ARG 5 0.892 -4.672 0.131 28 HE ARG 5 HE ARG 5 0.338 -6.604 2.331 29 1HH1 ARG 5 HH11 ARG 5 2.792 -5.845 0.380 30 2HH1 ARG 5 HH12 ARG 5 3.926 -5.358 1.595 31 1HH2 ARG 5 HH21 ARG 5 1.562 -5.240 4.129 32 2HH2 ARG 5 HH22 ARG 5 3.230 -5.016 3.718 33 H GLY 6 HN GLY 6 1.492 -0.300 2.590 34 1HA GLY 6 HA2 GLY 6 0.940 -0.032 5.429 35 2HA GLY 6 HA1 GLY 6 2.203 0.839 4.549 36 H ASP 7 HN ASP 7 1.746 2.908 3.742 37 HA ASP 7 HA ASP 7 -0.826 4.105 4.681 38 1HB ASP 7 HB2 ASP 7 0.375 6.237 4.369 39 2HB ASP 7 HB1 ASP 7 1.346 5.141 5.349 40 H CYS 8 HN CYS 8 -0.534 2.294 2.398 41 HA CYS 8 HA CYS 8 -1.702 4.000 0.277 42 1HB CYS 8 HB2 CYS 8 -0.167 2.177 -1.120 43 2HB CYS 8 HB1 CYS 8 0.333 3.828 -0.785 44 H PHE 9 HN PHE 9 -2.836 2.349 -1.355 45 HA PHE 9 HA PHE 9 -3.582 -0.124 0.171 46 1HB PHE 9 HB2 PHE 9 -5.953 0.395 -0.315 47 2HB PHE 9 HB1 PHE 9 -5.188 1.665 0.637 48 HD1 PHE 9 HD1 PHE 9 -6.857 0.843 -2.466 49 HD2 PHE 9 HD2 PHE 9 -4.359 3.756 -0.538 50 HE1 PHE 9 HE1 PHE 9 -7.455 2.506 -4.204 51 HE2 PHE 9 HE2 PHE 9 -4.956 5.419 -2.277 52 HZ PHE 9 HZ PHE 9 -6.505 4.794 -4.110 53 H CYS 10 HN CYS 10 -3.567 -1.894 -1.016 54 HA CYS 10 HA CYS 10 -3.180 -1.842 -3.930 55 1HB CYS 10 HB2 CYS 10 -2.684 -3.544 -1.704 56 2HB CYS 10 HB1 CYS 10 -3.739 -4.441 -2.793 57 H GLY 11 HN GLY 11 -5.913 -1.234 -2.347 58 1HA GLY 11 HA2 GLY 11 -8.167 -1.382 -2.986 59 2HA GLY 11 HA1 GLY 11 -7.634 -2.188 -4.463 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -6.828 3.699 -4.484 2 2H ALA 1 HT2 ALA 1 -8.310 2.912 -4.750 3 3H ALA 1 HT3 ALA 1 -6.855 2.167 -5.211 4 HA ALA 1 HA ALA 1 -7.798 2.685 -2.438 5 1HB ALA 1 HB1 ALA 1 -7.531 0.113 -2.521 6 2HB ALA 1 HB2 ALA 1 -7.417 0.314 -4.269 7 3HB ALA 1 HB3 ALA 1 -8.880 0.811 -3.419 8 H CYS 2 HN CYS 2 -6.159 2.840 -0.939 9 HA CYS 2 HA CYS 2 -3.480 1.723 -1.611 10 1HB CYS 2 HB2 CYS 2 -3.154 3.969 -2.185 11 2HB CYS 2 HB1 CYS 2 -4.257 4.553 -0.941 12 H ASP 3 HN ASP 3 -3.601 0.147 -0.085 13 HA ASP 3 HA ASP 3 -4.095 0.960 2.736 14 1HB ASP 3 HB2 ASP 3 -4.210 -1.592 3.038 15 2HB ASP 3 HB1 ASP 3 -5.503 -0.880 2.075 16 H CYS 4 HN CYS 4 -2.038 -1.283 0.929 17 HA CYS 4 HA CYS 4 0.351 -0.044 2.022 18 1HB CYS 4 HB2 CYS 4 1.080 -2.092 3.104 19 2HB CYS 4 HB1 CYS 4 -0.480 -1.621 3.749 20 H ARG 5 HN ARG 5 -0.729 -0.286 -0.668 21 HA ARG 5 HA ARG 5 1.469 -1.833 -1.903 22 1HB ARG 5 HB2 ARG 5 -1.471 -2.343 -2.191 23 2HB ARG 5 HB1 ARG 5 -0.341 -2.845 -3.447 24 1HG ARG 5 HG2 ARG 5 0.964 -3.874 -1.367 25 2HG ARG 5 HG1 ARG 5 -0.651 -3.869 -0.656 26 1HD ARG 5 HD2 ARG 5 -0.419 -4.906 -3.448 27 2HD ARG 5 HD1 ARG 5 0.208 -5.934 -2.145 28 HE ARG 5 HE ARG 5 -2.011 -6.203 -1.358 29 1HH1 ARG 5 HH11 ARG 5 -2.213 -4.846 -4.345 30 2HH1 ARG 5 HH12 ARG 5 -3.699 -3.992 -4.089 31 1HH2 ARG 5 HH21 ARG 5 -3.741 -4.555 -0.668 32 2HH2 ARG 5 HH22 ARG 5 -4.563 -3.827 -2.007 33 H GLY 6 HN GLY 6 -1.262 0.330 -2.534 34 1HA GLY 6 HA2 GLY 6 -0.376 0.980 -5.225 35 2HA GLY 6 HA1 GLY 6 -1.577 1.892 -4.295 36 H ASP 7 HN ASP 7 -0.899 3.678 -3.095 37 HA ASP 7 HA ASP 7 1.887 4.600 -3.634 38 1HB ASP 7 HB2 ASP 7 0.963 6.788 -2.891 39 2HB ASP 7 HB1 ASP 7 -0.025 6.091 -4.172 40 H CYS 8 HN CYS 8 1.095 2.447 -1.747 41 HA CYS 8 HA CYS 8 2.391 3.514 0.689 42 1HB CYS 8 HB2 CYS 8 0.474 1.860 1.722 43 2HB CYS 8 HB1 CYS 8 0.245 3.594 1.545 44 H PHE 9 HN PHE 9 3.119 1.469 2.040 45 HA PHE 9 HA PHE 9 3.438 -0.873 0.200 46 1HB PHE 9 HB2 PHE 9 5.853 -0.923 0.827 47 2HB PHE 9 HB1 PHE 9 5.400 0.547 -0.030 48 HD1 PHE 9 HD1 PHE 9 6.743 -0.841 3.025 49 HD2 PHE 9 HD2 PHE 9 4.939 2.656 1.307 50 HE1 PHE 9 HE1 PHE 9 7.583 0.522 4.919 51 HE2 PHE 9 HE2 PHE 9 5.776 4.019 3.201 52 HZ PHE 9 HZ PHE 9 7.099 2.952 5.007 53 H CYS 10 HN CYS 10 3.015 -2.727 1.127 54 HA CYS 10 HA CYS 10 2.362 -2.993 3.950 55 1HB CYS 10 HB2 CYS 10 2.004 -4.356 1.476 56 2HB CYS 10 HB1 CYS 10 2.778 -5.494 2.571 57 H GLY 11 HN GLY 11 5.296 -3.057 2.294 58 1HA GLY 11 HA2 GLY 11 7.374 -3.244 3.595 59 2HA GLY 11 HA1 GLY 11 6.584 -4.469 4.587 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 7.539 -2.892 3.093 2 2H ALA 1 HT2 ALA 1 7.186 -2.639 4.735 3 3H ALA 1 HT3 ALA 1 8.759 -2.375 4.152 4 HA ALA 1 HA ALA 1 7.701 -0.248 4.449 5 1HB ALA 1 HB1 ALA 1 8.433 0.532 2.391 6 2HB ALA 1 HB2 ALA 1 7.601 -0.743 1.502 7 3HB ALA 1 HB3 ALA 1 9.109 -1.098 2.345 8 H CYS 2 HN CYS 2 6.031 1.230 3.533 9 HA CYS 2 HA CYS 2 3.509 -0.199 2.785 10 1HB CYS 2 HB2 CYS 2 3.291 0.444 5.091 11 2HB CYS 2 HB1 CYS 2 4.042 2.009 4.804 12 H ASP 3 HN ASP 3 3.758 0.322 0.659 13 HA ASP 3 HA ASP 3 3.973 3.180 -0.112 14 1HB ASP 3 HB2 ASP 3 5.396 1.304 -1.126 15 2HB ASP 3 HB1 ASP 3 3.904 0.672 -1.816 16 H CYS 4 HN CYS 4 2.203 0.347 -1.226 17 HA CYS 4 HA CYS 4 -0.326 1.529 -0.469 18 1HB CYS 4 HB2 CYS 4 -1.161 1.582 -2.772 19 2HB CYS 4 HB1 CYS 4 0.208 2.655 -2.560 20 H ARG 5 HN ARG 5 1.187 -0.888 0.228 21 HA ARG 5 HA ARG 5 -0.806 -2.904 -0.638 22 1HB ARG 5 HB2 ARG 5 2.165 -2.955 -0.994 23 2HB ARG 5 HB1 ARG 5 1.258 -4.464 -0.907 24 1HG ARG 5 HG2 ARG 5 0.816 -4.220 -3.102 25 2HG ARG 5 HG1 ARG 5 -0.212 -2.856 -2.668 26 1HD ARG 5 HD2 ARG 5 1.340 -1.975 -4.262 27 2HD ARG 5 HD1 ARG 5 1.967 -1.452 -2.686 28 HE ARG 5 HE ARG 5 2.993 -3.827 -4.190 29 1HH1 ARG 5 HH21 ARG 5 4.676 -1.379 -4.077 30 2HH1 ARG 5 HH22 ARG 5 5.706 -1.694 -2.721 31 1HH2 ARG 5 HH11 ARG 5 3.707 -4.231 -1.456 32 2HH2 ARG 5 HH12 ARG 5 5.158 -3.310 -1.236 33 H GLY 6 HN GLY 6 1.796 -2.216 1.668 34 1HA GLY 6 HA2 GLY 6 1.269 -4.574 3.282 35 2HA GLY 6 HA1 GLY 6 2.209 -3.169 3.813 36 H ASP 7 HN ASP 7 1.142 -1.500 4.945 37 HA ASP 7 HA ASP 7 -1.591 -2.194 5.932 38 1HB ASP 7 HB2 ASP 7 -1.038 -0.471 7.661 39 2HB ASP 7 HB1 ASP 7 0.189 -1.736 7.588 40 H CYS 8 HN CYS 8 -0.912 -1.109 3.234 41 HA CYS 8 HA CYS 8 -2.695 1.264 3.284 42 1HB CYS 8 HB2 CYS 8 -0.833 1.819 1.302 43 2HB CYS 8 HB1 CYS 8 -0.820 2.531 2.908 44 H PHE 9 HN PHE 9 -3.338 1.655 0.809 45 HA PHE 9 HA PHE 9 -3.313 -0.963 -0.635 46 1HB PHE 9 HB2 PHE 9 -5.770 -0.655 -1.033 47 2HB PHE 9 HB1 PHE 9 -5.357 -0.915 0.659 48 HD1 PHE 9 HD1 PHE 9 -6.870 1.323 -1.742 49 HD2 PHE 9 HD2 PHE 9 -5.184 1.108 2.203 50 HE1 PHE 9 HE1 PHE 9 -8.004 3.446 -1.142 51 HE2 PHE 9 HE2 PHE 9 -6.315 3.233 2.800 52 HZ PHE 9 HZ PHE 9 -7.725 4.401 1.129 53 H CYS 10 HN CYS 10 -2.750 -0.687 -2.703 54 HA CYS 10 HA CYS 10 -2.446 1.928 -3.929 55 1HB CYS 10 HB2 CYS 10 -1.659 -0.775 -4.331 56 2HB CYS 10 HB1 CYS 10 -2.504 -0.282 -5.794 57 H GLY 11 HN GLY 11 -5.069 -0.203 -3.607 58 1HA GLY 11 HA2 GLY 11 -7.294 0.031 -4.369 59 2HA GLY 11 HA1 GLY 11 -6.804 1.514 -5.192 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 7.330 -3.253 6.130 2 2H ALA 1 HT2 ALA 1 5.719 -3.737 5.892 3 3H ALA 1 HT3 ALA 1 6.063 -2.192 6.510 4 HA ALA 1 HA ALA 1 7.164 -1.611 4.387 5 1HB ALA 1 HB1 ALA 1 6.495 -4.493 4.059 6 2HB ALA 1 HB2 ALA 1 7.879 -3.587 3.448 7 3HB ALA 1 HB3 ALA 1 6.323 -3.482 2.625 8 H CYS 2 HN CYS 2 5.791 -0.125 3.463 9 HA CYS 2 HA CYS 2 2.929 -0.862 3.029 10 1HB CYS 2 HB2 CYS 2 2.866 0.283 5.115 11 2HB CYS 2 HB1 CYS 2 4.094 1.443 4.613 12 H ASP 3 HN ASP 3 3.108 -0.800 0.836 13 HA ASP 3 HA ASP 3 4.091 1.716 -0.439 14 1HB ASP 3 HB2 ASP 3 4.747 -0.866 -0.992 15 2HB ASP 3 HB1 ASP 3 3.330 -0.699 -2.025 16 H CYS 4 HN CYS 4 1.713 -0.746 -1.236 17 HA CYS 4 HA CYS 4 -0.484 1.157 -0.915 18 1HB CYS 4 HB2 CYS 4 -1.184 0.790 -3.245 19 2HB CYS 4 HB1 CYS 4 0.411 1.513 -3.181 20 H ARG 5 HN ARG 5 0.239 -1.195 0.580 21 HA ARG 5 HA ARG 5 -2.109 -2.872 -0.013 22 1HB ARG 5 HB2 ARG 5 0.747 -3.814 0.028 23 2HB ARG 5 HB1 ARG 5 -0.627 -4.918 0.091 24 1HG ARG 5 HG2 ARG 5 -1.462 -3.763 -2.038 25 2HG ARG 5 HG1 ARG 5 0.141 -3.033 -2.143 26 1HD ARG 5 HD2 ARG 5 -0.432 -6.019 -2.041 27 2HD ARG 5 HD1 ARG 5 0.086 -5.108 -3.473 28 HE ARG 5 HE ARG 5 1.806 -5.904 -1.268 29 1HH1 ARG 5 HH11 ARG 5 2.128 -5.020 -4.332 30 2HH1 ARG 5 HH12 ARG 5 3.333 -3.795 -4.115 31 1HH2 ARG 5 HH21 ARG 5 2.954 -3.664 -0.668 32 2HH2 ARG 5 HH22 ARG 5 3.803 -3.027 -2.036 33 H GLY 6 HN GLY 6 0.583 -2.392 2.218 34 1HA GLY 6 HA2 GLY 6 -0.627 -3.985 4.324 35 2HA GLY 6 HA1 GLY 6 0.713 -2.852 4.543 36 H ASP 7 HN ASP 7 0.263 -0.730 5.174 37 HA ASP 7 HA ASP 7 -2.549 -0.231 6.043 38 1HB ASP 7 HB2 ASP 7 -1.478 1.532 7.430 39 2HB ASP 7 HB1 ASP 7 -0.722 -0.036 7.708 40 H CYS 8 HN CYS 8 -1.570 -0.134 3.266 41 HA CYS 8 HA CYS 8 -2.446 2.604 2.566 42 1HB CYS 8 HB2 CYS 8 -0.426 2.091 0.750 43 2HB CYS 8 HB1 CYS 8 -0.225 3.079 2.190 44 H PHE 9 HN PHE 9 -3.066 2.489 0.069 45 HA PHE 9 HA PHE 9 -3.755 -0.352 -0.617 46 1HB PHE 9 HB2 PHE 9 -6.033 0.424 -1.172 47 2HB PHE 9 HB1 PHE 9 -5.638 0.742 0.514 48 HD1 PHE 9 HD1 PHE 9 -6.537 2.194 -2.680 49 HD2 PHE 9 HD2 PHE 9 -4.910 3.070 1.197 50 HE1 PHE 9 HE1 PHE 9 -7.009 4.603 -3.026 51 HE2 PHE 9 HE2 PHE 9 -5.380 5.480 0.850 52 HZ PHE 9 HZ PHE 9 -6.430 6.246 -1.262 53 H CYS 10 HN CYS 10 -3.341 -0.893 -2.632 54 HA CYS 10 HA CYS 10 -2.295 1.016 -4.593 55 1HB CYS 10 HB2 CYS 10 -2.232 -1.768 -4.017 56 2HB CYS 10 HB1 CYS 10 -2.927 -1.614 -5.626 57 H GLY 11 HN GLY 11 -4.724 2.043 -4.244 58 1HA GLY 11 HA2 GLY 11 -6.628 0.825 -6.166 59 2HA GLY 11 HA1 GLY 11 -6.964 2.200 -5.111 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 7.206 -3.611 3.574 2 2H ALA 1 HT2 ALA 1 7.265 -2.315 4.671 3 3H ALA 1 HT3 ALA 1 8.692 -2.878 3.941 4 HA ALA 1 HA ALA 1 8.094 -0.876 2.816 5 1HB ALA 1 HB1 ALA 1 7.211 -3.292 1.209 6 2HB ALA 1 HB2 ALA 1 8.896 -2.941 1.593 7 3HB ALA 1 HB3 ALA 1 7.969 -1.825 0.589 8 H CYS 2 HN CYS 2 6.446 0.452 1.893 9 HA CYS 2 HA CYS 2 3.642 -0.557 2.013 10 1HB CYS 2 HB2 CYS 2 3.882 0.529 4.100 11 2HB CYS 2 HB1 CYS 2 4.902 1.799 3.431 12 H ASP 3 HN ASP 3 3.320 -0.447 -0.132 13 HA ASP 3 HA ASP 3 3.803 2.136 -1.548 14 1HB ASP 3 HB2 ASP 3 4.455 -0.460 -2.231 15 2HB ASP 3 HB1 ASP 3 2.909 -0.250 -3.051 16 H CYS 4 HN CYS 4 1.504 -0.510 -1.908 17 HA CYS 4 HA CYS 4 -0.706 1.235 -1.096 18 1HB CYS 4 HB2 CYS 4 -1.879 0.787 -3.222 19 2HB CYS 4 HB1 CYS 4 -0.362 1.627 -3.499 20 H ARG 5 HN ARG 5 0.565 -1.100 0.109 21 HA ARG 5 HA ARG 5 -1.777 -2.889 0.144 22 1HB ARG 5 HB2 ARG 5 -0.407 -4.861 -0.318 23 2HB ARG 5 HB1 ARG 5 -0.245 -3.687 -1.623 24 1HG ARG 5 HG2 ARG 5 1.851 -2.855 -0.627 25 2HG ARG 5 HG1 ARG 5 1.689 -4.015 0.691 26 1HD ARG 5 HD2 ARG 5 1.925 -4.757 -2.249 27 2HD ARG 5 HD1 ARG 5 3.230 -4.877 -1.052 28 HE ARG 5 HE ARG 5 0.954 -6.683 -1.259 29 1HH1 ARG 5 HH11 ARG 5 3.946 -6.554 0.004 30 2HH1 ARG 5 HH12 ARG 5 3.562 -7.193 1.567 31 1HH2 ARG 5 HH21 ARG 5 0.133 -6.927 1.127 32 2HH2 ARG 5 HH22 ARG 5 1.403 -7.404 2.203 33 H GLY 6 HN GLY 6 1.342 -2.169 1.641 34 1HA GLY 6 HA2 GLY 6 0.838 -3.848 3.961 35 2HA GLY 6 HA1 GLY 6 2.082 -2.594 3.858 36 H ASP 7 HN ASP 7 1.596 -0.506 4.609 37 HA ASP 7 HA ASP 7 -0.987 -0.263 6.092 38 1HB ASP 7 HB2 ASP 7 0.185 1.539 7.296 39 2HB ASP 7 HB1 ASP 7 1.170 0.079 7.298 40 H CYS 8 HN CYS 8 -0.683 -0.097 3.190 41 HA CYS 8 HA CYS 8 -1.900 2.564 2.723 42 1HB CYS 8 HB2 CYS 8 -0.333 2.167 0.482 43 2HB CYS 8 HB1 CYS 8 0.134 3.188 1.836 44 H PHE 9 HN PHE 9 -3.031 2.365 0.401 45 HA PHE 9 HA PHE 9 -3.671 -0.527 -0.086 46 1HB PHE 9 HB2 PHE 9 -6.077 0.141 -0.139 47 2HB PHE 9 HB1 PHE 9 -5.323 0.397 1.433 48 HD1 PHE 9 HD1 PHE 9 -6.935 1.966 -1.418 49 HD2 PHE 9 HD2 PHE 9 -4.581 2.708 2.097 50 HE1 PHE 9 HE1 PHE 9 -7.553 4.366 -1.511 51 HE2 PHE 9 HE2 PHE 9 -5.198 5.107 2.004 52 HZ PHE 9 HZ PHE 9 -6.684 5.937 0.201 53 H CYS 10 HN CYS 10 -3.704 -1.087 -2.135 54 HA CYS 10 HA CYS 10 -3.363 0.864 -4.312 55 1HB CYS 10 HB2 CYS 10 -2.832 -1.878 -3.735 56 2HB CYS 10 HB1 CYS 10 -3.874 -1.848 -5.155 57 H GLY 11 HN GLY 11 -6.078 0.312 -2.701 58 1HA GLY 11 HA2 GLY 11 -7.862 1.026 -4.787 59 2HA GLY 11 HA1 GLY 11 -7.962 -0.723 -4.573 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 -7.098 0.253 5.586 2 2H ALA 1 HT2 ALA 1 -8.541 1.086 5.256 3 3H ALA 1 HT3 ALA 1 -7.057 1.911 5.227 4 HA ALA 1 HA ALA 1 -8.012 -0.144 3.301 5 1HB ALA 1 HB1 ALA 1 -8.564 2.479 3.447 6 2HB ALA 1 HB2 ALA 1 -8.311 1.670 1.900 7 3HB ALA 1 HB3 ALA 1 -6.999 2.586 2.641 8 H CYS 2 HN CYS 2 -6.401 -1.284 2.288 9 HA CYS 2 HA CYS 2 -3.628 -0.188 2.261 10 1HB CYS 2 HB2 CYS 2 -3.564 -1.663 4.120 11 2HB CYS 2 HB1 CYS 2 -4.621 -2.834 3.340 12 H ASP 3 HN ASP 3 -3.598 0.113 0.103 13 HA ASP 3 HA ASP 3 -4.194 -2.202 -1.687 14 1HB ASP 3 HB2 ASP 3 -3.906 0.786 -2.156 15 2HB ASP 3 HB1 ASP 3 -4.176 -0.387 -3.444 16 H CYS 4 HN CYS 4 -2.060 0.591 -1.855 17 HA CYS 4 HA CYS 4 0.302 -1.138 -1.710 18 1HB CYS 4 HB2 CYS 4 1.137 -0.181 -3.830 19 2HB CYS 4 HB1 CYS 4 -0.359 -1.062 -4.072 20 H ARG 5 HN ARG 5 -0.823 0.789 0.148 21 HA ARG 5 HA ARG 5 1.401 2.730 0.190 22 1HB ARG 5 HB2 ARG 5 -1.431 3.268 -0.365 23 2HB ARG 5 HB1 ARG 5 -0.698 4.353 0.817 24 1HG ARG 5 HG2 ARG 5 1.050 4.970 -0.733 25 2HG ARG 5 HG1 ARG 5 0.518 3.749 -1.890 26 1HD ARG 5 HD2 ARG 5 -0.334 5.939 -2.591 27 2HD ARG 5 HD1 ARG 5 -1.698 4.950 -2.033 28 HE ARG 5 HE ARG 5 -0.401 7.117 -0.439 29 1HH1 ARG 5 HH21 ARG 5 -3.340 6.567 -1.601 30 2HH1 ARG 5 HH22 ARG 5 -4.178 6.402 -0.095 31 1HH2 ARG 5 HH11 ARG 5 -1.282 6.140 1.793 32 2HH2 ARG 5 HH12 ARG 5 -3.014 6.160 1.826 33 H GLY 6 HN GLY 6 -1.417 1.549 1.973 34 1HA GLY 6 HA2 GLY 6 -0.554 2.722 4.488 35 2HA GLY 6 HA1 GLY 6 -1.789 1.465 4.318 36 H ASP 7 HN ASP 7 -1.169 -0.716 4.515 37 HA ASP 7 HA ASP 7 1.613 -1.154 5.520 38 1HB ASP 7 HB2 ASP 7 0.661 -3.214 6.471 39 2HB ASP 7 HB1 ASP 7 -0.352 -1.842 6.917 40 H CYS 8 HN CYS 8 0.878 -0.701 2.733 41 HA CYS 8 HA CYS 8 2.022 -3.140 1.508 42 1HB CYS 8 HB2 CYS 8 0.114 -2.339 -0.319 43 2HB CYS 8 HB1 CYS 8 -0.128 -3.642 0.836 44 H PHE 9 HN PHE 9 2.817 -2.407 -0.819 45 HA PHE 9 HA PHE 9 3.282 0.558 -0.791 46 1HB PHE 9 HB2 PHE 9 5.673 0.064 -1.313 47 2HB PHE 9 HB1 PHE 9 5.170 -0.527 0.269 48 HD1 PHE 9 HD1 PHE 9 6.419 -1.424 -3.013 49 HD2 PHE 9 HD2 PHE 9 4.594 -2.971 0.553 50 HE1 PHE 9 HE1 PHE 9 7.110 -3.717 -3.655 51 HE2 PHE 9 HE2 PHE 9 5.284 -5.265 -0.089 52 HZ PHE 9 HZ PHE 9 6.543 -5.637 -2.193 53 H CYS 10 HN CYS 10 3.031 1.517 -2.664 54 HA CYS 10 HA CYS 10 2.402 0.024 -5.117 55 1HB CYS 10 HB2 CYS 10 1.909 2.564 -3.927 56 2HB CYS 10 HB1 CYS 10 2.726 2.871 -5.456 57 H GLY 11 HN GLY 11 5.326 0.537 -3.807 58 1HA GLY 11 HA2 GLY 11 7.324 0.039 -5.162 59 2HA GLY 11 HA1 GLY 11 6.611 0.989 -6.469 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 -7.341 5.224 2.872 2 2H ALA 1 HT2 ALA 1 -5.768 5.241 2.230 3 3H ALA 1 HT3 ALA 1 -6.041 4.649 3.799 4 HA ALA 1 HA ALA 1 -7.326 2.793 2.900 5 1HB ALA 1 HB1 ALA 1 -7.765 2.682 0.583 6 2HB ALA 1 HB2 ALA 1 -6.455 3.798 0.195 7 3HB ALA 1 HB3 ALA 1 -7.938 4.401 0.935 8 H CYS 2 HN CYS 2 -6.175 0.908 1.718 9 HA CYS 2 HA CYS 2 -3.219 1.273 1.618 10 1HB CYS 2 HB2 CYS 2 -3.572 0.466 3.818 11 2HB CYS 2 HB1 CYS 2 -4.862 -0.618 3.311 12 H ASP 3 HN ASP 3 -3.099 0.934 -0.525 13 HA ASP 3 HA ASP 3 -4.223 -1.576 -1.681 14 1HB ASP 3 HB2 ASP 3 -4.013 1.148 -2.540 15 2HB ASP 3 HB1 ASP 3 -2.960 0.185 -3.576 16 H CYS 4 HN CYS 4 -1.423 0.445 -2.345 17 HA CYS 4 HA CYS 4 0.388 -1.691 -1.482 18 1HB CYS 4 HB2 CYS 4 1.507 -1.672 -3.676 19 2HB CYS 4 HB1 CYS 4 -0.172 -2.158 -3.827 20 H ARG 5 HN ARG 5 -0.265 0.971 -0.440 21 HA ARG 5 HA ARG 5 2.433 2.161 -0.617 22 1HB ARG 5 HB2 ARG 5 1.500 4.378 -1.138 23 2HB ARG 5 HB1 ARG 5 1.094 3.200 -2.386 24 1HG ARG 5 HG2 ARG 5 -1.138 2.942 -1.538 25 2HG ARG 5 HG1 ARG 5 -0.751 3.842 -0.072 26 1HD ARG 5 HD2 ARG 5 -0.567 5.078 -2.834 27 2HD ARG 5 HD1 ARG 5 -2.017 5.186 -1.816 28 HE ARG 5 HE ARG 5 0.467 6.623 -1.363 29 1HH1 ARG 5 HH11 ARG 5 -2.190 7.654 -0.510 30 2HH1 ARG 5 HH12 ARG 5 -2.131 7.463 1.211 31 1HH2 ARG 5 HH21 ARG 5 0.541 5.256 1.141 32 2HH2 ARG 5 HH22 ARG 5 -0.585 6.106 2.146 33 H GLY 6 HN GLY 6 -0.675 2.239 1.062 34 1HA GLY 6 HA2 GLY 6 0.289 3.954 3.208 35 2HA GLY 6 HA1 GLY 6 -1.189 2.981 3.258 36 H ASP 7 HN ASP 7 -1.104 0.900 4.167 37 HA ASP 7 HA ASP 7 1.455 0.225 5.559 38 1HB ASP 7 HB2 ASP 7 0.000 -1.201 6.951 39 2HB ASP 7 HB1 ASP 7 -0.657 0.432 6.879 40 H CYS 8 HN CYS 8 0.966 -0.067 2.692 41 HA CYS 8 HA CYS 8 1.532 -2.959 2.387 42 1HB CYS 8 HB2 CYS 8 -0.027 -2.369 0.185 43 2HB CYS 8 HB1 CYS 8 -0.637 -3.152 1.636 44 H PHE 9 HN PHE 9 2.517 -3.186 0.004 45 HA PHE 9 HA PHE 9 3.779 -0.574 -0.755 46 1HB PHE 9 HB2 PHE 9 5.961 -1.759 -0.844 47 2HB PHE 9 HB1 PHE 9 5.260 -1.762 0.772 48 HD1 PHE 9 HD1 PHE 9 6.351 -3.793 -2.029 49 HD2 PHE 9 HD2 PHE 9 4.047 -3.814 1.595 50 HE1 PHE 9 HE1 PHE 9 6.429 -6.272 -1.994 51 HE2 PHE 9 HE2 PHE 9 4.124 -6.292 1.630 52 HZ PHE 9 HZ PHE 9 5.315 -7.521 -0.163 53 H CYS 10 HN CYS 10 3.757 -0.197 -2.853 54 HA CYS 10 HA CYS 10 2.826 -2.186 -4.795 55 1HB CYS 10 HB2 CYS 10 3.039 0.641 -4.500 56 2HB CYS 10 HB1 CYS 10 3.936 0.211 -5.953 57 H GLY 11 HN GLY 11 5.781 -1.832 -3.397 58 1HA GLY 11 HA2 GLY 11 7.988 -2.325 -4.033 59 2HA GLY 11 HA1 GLY 11 7.222 -3.502 -5.100 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 8.466 -0.753 4.386 2 2H ALA 1 HT2 ALA 1 6.838 -1.237 4.439 3 3H ALA 1 HT3 ALA 1 7.253 0.389 4.702 4 HA ALA 1 HA ALA 1 7.962 0.647 2.426 5 1HB ALA 1 HB1 ALA 1 8.951 -1.555 2.208 6 2HB ALA 1 HB2 ALA 1 7.711 -1.403 0.963 7 3HB ALA 1 HB3 ALA 1 7.383 -2.331 2.427 8 H CYS 2 HN CYS 2 6.385 1.258 0.857 9 HA CYS 2 HA CYS 2 3.573 0.387 1.376 10 1HB CYS 2 HB2 CYS 2 3.731 2.447 2.533 11 2HB CYS 2 HB1 CYS 2 4.794 3.147 1.324 12 H ASP 3 HN ASP 3 3.710 -0.886 -0.522 13 HA ASP 3 HA ASP 3 4.200 0.556 -3.069 14 1HB ASP 3 HB2 ASP 3 3.911 -1.818 -3.993 15 2HB ASP 3 HB1 ASP 3 5.260 -1.650 -2.875 16 H CYS 4 HN CYS 4 1.767 -1.403 -1.399 17 HA CYS 4 HA CYS 4 -0.356 0.350 -2.150 18 1HB CYS 4 HB2 CYS 4 -1.491 -1.069 -3.735 19 2HB CYS 4 HB1 CYS 4 0.164 -0.793 -4.274 20 H ARG 5 HN ARG 5 0.636 -0.815 0.315 21 HA ARG 5 HA ARG 5 -1.826 -2.252 1.172 22 1HB ARG 5 HB2 ARG 5 0.993 -3.275 1.114 23 2HB ARG 5 HB1 ARG 5 -0.119 -3.875 2.344 24 1HG ARG 5 HG2 ARG 5 -1.642 -4.001 0.042 25 2HG ARG 5 HG1 ARG 5 -0.035 -4.449 -0.531 26 1HD ARG 5 HD2 ARG 5 -1.163 -5.689 1.984 27 2HD ARG 5 HD1 ARG 5 -1.539 -6.359 0.384 28 HE ARG 5 HE ARG 5 0.762 -6.949 0.120 29 1HH1 ARG 5 HH21 ARG 5 0.225 -6.972 3.267 30 2HH1 ARG 5 HH22 ARG 5 1.760 -6.370 3.796 31 1HH2 ARG 5 HH11 ARG 5 2.738 -5.327 0.636 32 2HH2 ARG 5 HH12 ARG 5 3.183 -5.439 2.307 33 H GLY 6 HN GLY 6 1.223 -0.779 2.207 34 1HA GLY 6 HA2 GLY 6 0.531 -0.728 5.029 35 2HA GLY 6 HA1 GLY 6 1.833 0.205 4.274 36 H ASP 7 HN ASP 7 1.392 2.320 3.526 37 HA ASP 7 HA ASP 7 -1.192 3.473 4.493 38 1HB ASP 7 HB2 ASP 7 0.054 5.623 4.277 39 2HB ASP 7 HB1 ASP 7 0.917 4.480 5.305 40 H CYS 8 HN CYS 8 -0.831 1.822 2.087 41 HA CYS 8 HA CYS 8 -2.034 3.656 0.094 42 1HB CYS 8 HB2 CYS 8 -0.464 2.204 -1.557 43 2HB CYS 8 HB1 CYS 8 0.088 3.716 -0.847 44 H PHE 9 HN PHE 9 -3.167 2.200 -1.637 45 HA PHE 9 HA PHE 9 -3.771 -0.505 -0.470 46 1HB PHE 9 HB2 PHE 9 -6.184 -0.004 -0.880 47 2HB PHE 9 HB1 PHE 9 -5.454 1.083 0.298 48 HD1 PHE 9 HD1 PHE 9 -7.102 0.816 -2.923 49 HD2 PHE 9 HD2 PHE 9 -4.733 3.394 -0.437 50 HE1 PHE 9 HE1 PHE 9 -7.777 2.765 -4.300 51 HE2 PHE 9 HE2 PHE 9 -5.406 5.341 -1.815 52 HZ PHE 9 HZ PHE 9 -6.928 5.027 -3.747 53 H CYS 10 HN CYS 10 -3.345 -1.992 -1.991 54 HA CYS 10 HA CYS 10 -2.991 -1.514 -4.770 55 1HB CYS 10 HB2 CYS 10 -2.946 -3.674 -2.876 56 2HB CYS 10 HB1 CYS 10 -3.845 -4.206 -4.295 57 H GLY 11 HN GLY 11 -5.859 -1.932 -2.926 58 1HA GLY 11 HA2 GLY 11 -8.039 -1.324 -3.832 59 2HA GLY 11 HA1 GLY 11 -7.477 -1.820 -5.431 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 -6.638 -3.327 -2.831 2 2H ALA 1 HT2 ALA 1 -6.645 -2.770 -4.434 3 3H ALA 1 HT3 ALA 1 -8.113 -3.061 -3.631 4 HA ALA 1 HA ALA 1 -7.657 -0.672 -3.718 5 1HB ALA 1 HB1 ALA 1 -8.360 -0.415 -1.504 6 2HB ALA 1 HB2 ALA 1 -7.208 -1.606 -0.901 7 3HB ALA 1 HB3 ALA 1 -8.661 -2.137 -1.748 8 H CYS 2 HN CYS 2 -6.262 0.786 -1.839 9 HA CYS 2 HA CYS 2 -3.385 0.004 -2.204 10 1HB CYS 2 HB2 CYS 2 -3.810 1.647 -3.889 11 2HB CYS 2 HB1 CYS 2 -4.819 2.604 -2.807 12 H ASP 3 HN ASP 3 -3.138 -0.549 -0.124 13 HA ASP 3 HA ASP 3 -3.714 1.447 2.018 14 1HB ASP 3 HB2 ASP 3 -3.191 -1.529 1.864 15 2HB ASP 3 HB1 ASP 3 -3.036 -0.670 3.395 16 H CYS 4 HN CYS 4 -1.264 -1.038 1.624 17 HA CYS 4 HA CYS 4 0.828 0.976 1.293 18 1HB CYS 4 HB2 CYS 4 2.037 0.077 3.245 19 2HB CYS 4 HB1 CYS 4 0.493 0.756 3.717 20 H ARG 5 HN ARG 5 -0.266 -0.973 -0.506 21 HA ARG 5 HA ARG 5 2.135 -2.631 -0.904 22 1HB ARG 5 HB2 ARG 5 -0.675 -3.692 -0.715 23 2HB ARG 5 HB1 ARG 5 0.730 -4.659 -1.156 24 1HG ARG 5 HG2 ARG 5 1.754 -3.916 1.070 25 2HG ARG 5 HG1 ARG 5 0.143 -3.335 1.495 26 1HD ARG 5 HD2 ARG 5 0.639 -6.173 0.545 27 2HD ARG 5 HD1 ARG 5 0.654 -5.717 2.260 28 HE ARG 5 HE ARG 5 -1.685 -5.099 2.082 29 1HH1 ARG 5 HH21 ARG 5 -0.759 -7.508 0.010 30 2HH1 ARG 5 HH22 ARG 5 -2.063 -7.314 -1.114 31 1HH2 ARG 5 HH11 ARG 5 -3.182 -4.346 0.279 32 2HH2 ARG 5 HH12 ARG 5 -3.432 -5.528 -0.963 33 H GLY 6 HN GLY 6 -0.962 -1.666 -2.284 34 1HA GLY 6 HA2 GLY 6 -0.314 -2.648 -4.934 35 2HA GLY 6 HA1 GLY 6 -1.621 -1.513 -4.554 36 H ASP 7 HN ASP 7 -1.244 0.691 -4.755 37 HA ASP 7 HA ASP 7 1.327 1.450 -6.072 38 1HB ASP 7 HB2 ASP 7 0.040 3.486 -6.690 39 2HB ASP 7 HB1 ASP 7 -0.816 2.023 -7.175 40 H CYS 8 HN CYS 8 0.992 0.829 -3.214 41 HA CYS 8 HA CYS 8 2.091 3.320 -2.058 42 1HB CYS 8 HB2 CYS 8 0.471 2.335 -0.040 43 2HB CYS 8 HB1 CYS 8 0.020 3.657 -1.111 44 H PHE 9 HN PHE 9 3.221 2.615 0.130 45 HA PHE 9 HA PHE 9 3.917 -0.302 -0.034 46 1HB PHE 9 HB2 PHE 9 6.305 0.378 0.219 47 2HB PHE 9 HB1 PHE 9 5.576 0.983 -1.266 48 HD1 PHE 9 HD1 PHE 9 7.180 1.861 1.852 49 HD2 PHE 9 HD2 PHE 9 4.743 3.384 -1.339 50 HE1 PHE 9 HE1 PHE 9 7.776 4.179 2.504 51 HE2 PHE 9 HE2 PHE 9 5.336 5.700 -0.685 52 HZ PHE 9 HZ PHE 9 6.852 6.098 1.236 53 H CYS 10 HN CYS 10 3.963 -1.307 1.843 54 HA CYS 10 HA CYS 10 3.400 0.060 4.363 55 1HB CYS 10 HB2 CYS 10 3.195 -2.522 3.195 56 2HB CYS 10 HB1 CYS 10 4.206 -2.700 4.624 57 H GLY 11 HN GLY 11 6.269 -0.427 2.717 58 1HA GLY 11 HA2 GLY 11 8.226 0.620 3.986 59 2HA GLY 11 HA1 GLY 11 7.842 -0.533 5.265 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 -7.758 0.755 5.784 2 2H ALA 1 HT2 ALA 1 -6.273 1.391 5.255 3 3H ALA 1 HT3 ALA 1 -6.304 0.018 6.255 4 HA ALA 1 HA ALA 1 -7.311 -1.298 4.522 5 1HB ALA 1 HB1 ALA 1 -7.434 1.453 3.287 6 2HB ALA 1 HB2 ALA 1 -8.744 0.296 3.525 7 3HB ALA 1 HB3 ALA 1 -7.529 0.008 2.280 8 H CYS 2 HN CYS 2 -6.092 -1.721 2.260 9 HA CYS 2 HA CYS 2 -3.233 -0.877 2.476 10 1HB CYS 2 HB2 CYS 2 -3.305 -2.987 3.604 11 2HB CYS 2 HB1 CYS 2 -4.410 -3.669 2.414 12 H ASP 3 HN ASP 3 -3.279 0.269 0.620 13 HA ASP 3 HA ASP 3 -4.100 -1.101 -1.905 14 1HB ASP 3 HB2 ASP 3 -4.475 1.510 -0.830 15 2HB ASP 3 HB1 ASP 3 -3.329 1.683 -2.159 16 H CYS 4 HN CYS 4 -1.765 1.396 -1.125 17 HA CYS 4 HA CYS 4 0.481 -0.395 -1.705 18 1HB CYS 4 HB2 CYS 4 1.298 1.169 -3.425 19 2HB CYS 4 HB1 CYS 4 -0.270 0.518 -3.863 20 H ARG 5 HN ARG 5 -0.475 0.835 0.735 21 HA ARG 5 HA ARG 5 1.838 2.570 1.314 22 1HB ARG 5 HB2 ARG 5 -1.001 3.319 1.172 23 2HB ARG 5 HB1 ARG 5 -0.141 3.937 2.580 24 1HG ARG 5 HG2 ARG 5 1.348 5.190 1.285 25 2HG ARG 5 HG1 ARG 5 1.093 4.195 -0.148 26 1HD ARG 5 HD2 ARG 5 -0.042 6.355 -0.446 27 2HD ARG 5 HD1 ARG 5 -1.262 5.078 -0.271 28 HE ARG 5 HE ARG 5 -0.508 7.031 1.845 29 1HH1 ARG 5 HH11 ARG 5 -3.154 5.857 0.348 30 2HH1 ARG 5 HH12 ARG 5 -3.983 5.298 1.763 31 1HH2 ARG 5 HH21 ARG 5 -1.234 5.670 3.845 32 2HH2 ARG 5 HH22 ARG 5 -2.896 5.193 3.744 33 H GLY 6 HN GLY 6 -0.943 0.922 2.750 34 1HA GLY 6 HA2 GLY 6 0.103 1.142 5.449 35 2HA GLY 6 HA1 GLY 6 -1.201 0.053 4.946 36 H ASP 7 HN ASP 7 -0.688 -2.072 4.363 37 HA ASP 7 HA ASP 7 2.096 -2.932 5.015 38 1HB ASP 7 HB2 ASP 7 1.040 -5.170 5.185 39 2HB ASP 7 HB1 ASP 7 0.176 -4.002 6.182 40 H CYS 8 HN CYS 8 1.261 -1.522 2.565 41 HA CYS 8 HA CYS 8 2.294 -3.429 0.558 42 1HB CYS 8 HB2 CYS 8 0.325 -2.071 -0.819 43 2HB CYS 8 HB1 CYS 8 0.113 -3.679 -0.139 44 H PHE 9 HN PHE 9 3.061 -1.986 -1.406 45 HA PHE 9 HA PHE 9 3.555 0.810 -0.434 46 1HB PHE 9 HB2 PHE 9 5.922 0.523 -1.171 47 2HB PHE 9 HB1 PHE 9 5.474 -0.554 0.148 48 HD1 PHE 9 HD1 PHE 9 6.615 -0.328 -3.284 49 HD2 PHE 9 HD2 PHE 9 4.889 -2.960 -0.362 50 HE1 PHE 9 HE1 PHE 9 7.279 -2.284 -4.655 51 HE2 PHE 9 HE2 PHE 9 5.551 -4.917 -1.734 52 HZ PHE 9 HZ PHE 9 6.746 -4.579 -3.880 53 H CYS 10 HN CYS 10 3.313 2.336 -1.899 54 HA CYS 10 HA CYS 10 2.480 1.718 -4.636 55 1HB CYS 10 HB2 CYS 10 2.276 3.815 -2.716 56 2HB CYS 10 HB1 CYS 10 3.029 4.501 -4.153 57 H GLY 11 HN GLY 11 5.507 1.897 -3.299 58 1HA GLY 11 HA2 GLY 11 7.006 1.752 -5.615 59 2HA GLY 11 HA1 GLY 11 6.843 3.489 -5.344 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 -8.684 4.203 2.559 2 2H ALA 1 HT2 ALA 1 -7.262 4.284 1.633 3 3H ALA 1 HT3 ALA 1 -7.186 4.422 3.325 4 HA ALA 1 HA ALA 1 -7.959 2.122 3.560 5 1HB ALA 1 HB1 ALA 1 -7.820 2.276 0.528 6 2HB ALA 1 HB2 ALA 1 -9.303 2.257 1.482 7 3HB ALA 1 HB3 ALA 1 -8.249 0.843 1.464 8 H CYS 2 HN CYS 2 -6.423 0.182 2.891 9 HA CYS 2 HA CYS 2 -3.691 1.162 2.178 10 1HB CYS 2 HB2 CYS 2 -3.651 1.203 4.556 11 2HB CYS 2 HB1 CYS 2 -4.584 -0.284 4.692 12 H ASP 3 HN ASP 3 -3.761 0.076 0.268 13 HA ASP 3 HA ASP 3 -4.190 -2.869 0.300 14 1HB ASP 3 HB2 ASP 3 -4.140 -0.666 -1.776 15 2HB ASP 3 HB1 ASP 3 -3.980 -2.352 -2.268 16 H CYS 4 HN CYS 4 -2.140 -0.668 -1.498 17 HA CYS 4 HA CYS 4 0.266 -1.734 -0.246 18 1HB CYS 4 HB2 CYS 4 1.168 -2.436 -2.426 19 2HB CYS 4 HB1 CYS 4 -0.276 -3.338 -2.009 20 H ARG 5 HN ARG 5 -1.005 0.866 -0.224 21 HA ARG 5 HA ARG 5 1.132 2.434 -1.521 22 1HB ARG 5 HB2 ARG 5 -0.504 3.885 -2.625 23 2HB ARG 5 HB1 ARG 5 -0.740 2.208 -3.114 24 1HG ARG 5 HG2 ARG 5 -2.553 1.965 -1.466 25 2HG ARG 5 HG1 ARG 5 -2.304 3.627 -0.936 26 1HD ARG 5 HD2 ARG 5 -3.730 4.316 -2.548 27 2HD ARG 5 HD1 ARG 5 -2.606 3.693 -3.772 28 HE ARG 5 HE ARG 5 -4.925 2.222 -2.651 29 1HH1 ARG 5 HH11 ARG 5 -2.155 0.782 -3.126 30 2HH1 ARG 5 HH12 ARG 5 -2.499 0.015 -4.641 31 1HH2 ARG 5 HH21 ARG 5 -5.352 1.892 -5.243 32 2HH2 ARG 5 HH22 ARG 5 -4.310 0.644 -5.839 33 H GLY 6 HN GLY 6 -1.614 2.579 0.701 34 1HA GLY 6 HA2 GLY 6 -0.918 5.225 1.693 35 2HA GLY 6 HA1 GLY 6 -2.035 4.102 2.480 36 H ASP 7 HN ASP 7 -1.247 2.735 4.092 37 HA ASP 7 HA ASP 7 1.511 3.326 5.064 38 1HB ASP 7 HB2 ASP 7 0.653 2.230 7.129 39 2HB ASP 7 HB1 ASP 7 -0.408 3.539 6.615 40 H CYS 8 HN CYS 8 0.817 1.660 2.682 41 HA CYS 8 HA CYS 8 2.296 -0.787 3.436 42 1HB CYS 8 HB2 CYS 8 0.378 -1.685 1.653 43 2HB CYS 8 HB1 CYS 8 0.257 -1.864 3.397 44 H PHE 9 HN PHE 9 3.097 -1.801 1.236 45 HA PHE 9 HA PHE 9 3.219 0.334 -0.862 46 1HB PHE 9 HB2 PHE 9 5.668 -0.057 -0.999 47 2HB PHE 9 HB1 PHE 9 5.177 0.507 0.596 48 HD1 PHE 9 HD1 PHE 9 6.724 -2.168 -1.288 49 HD2 PHE 9 HD2 PHE 9 4.886 -1.181 2.466 50 HE1 PHE 9 HE1 PHE 9 7.746 -4.178 -0.258 51 HE2 PHE 9 HE2 PHE 9 5.907 -3.192 3.496 52 HZ PHE 9 HZ PHE 9 7.339 -4.690 2.134 53 H CYS 10 HN CYS 10 2.901 -0.378 -2.837 54 HA CYS 10 HA CYS 10 2.421 -3.185 -3.440 55 1HB CYS 10 HB2 CYS 10 1.891 -0.600 -4.502 56 2HB CYS 10 HB1 CYS 10 2.733 -1.497 -5.761 57 H GLY 11 HN GLY 11 5.257 -1.393 -3.267 58 1HA GLY 11 HA2 GLY 11 7.447 -1.786 -4.005 59 2HA GLY 11 HA1 GLY 11 6.951 -3.470 -4.177 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 7.029 5.262 -0.715 2 2H ALA 1 HT2 ALA 1 7.072 4.737 -2.330 3 3H ALA 1 HT3 ALA 1 8.512 4.863 -1.436 4 HA ALA 1 HA ALA 1 7.989 2.560 -1.495 5 1HB ALA 1 HB1 ALA 1 7.046 3.812 1.104 6 2HB ALA 1 HB2 ALA 1 8.738 3.661 0.630 7 3HB ALA 1 HB3 ALA 1 7.769 2.215 0.915 8 H CYS 2 HN CYS 2 6.399 0.974 -1.700 9 HA CYS 2 HA CYS 2 3.562 1.693 -1.119 10 1HB CYS 2 HB2 CYS 2 3.699 2.143 -3.435 11 2HB CYS 2 HB1 CYS 2 4.834 0.828 -3.720 12 H ASP 3 HN ASP 3 3.359 0.245 0.499 13 HA ASP 3 HA ASP 3 4.032 -2.614 -0.022 14 1HB ASP 3 HB2 ASP 3 4.951 -1.436 2.030 15 2HB ASP 3 HB1 ASP 3 3.289 -1.203 2.568 16 H CYS 4 HN CYS 4 1.626 -0.911 1.899 17 HA CYS 4 HA CYS 4 -0.535 -1.935 0.200 18 1HB CYS 4 HB2 CYS 4 -1.618 -2.961 2.156 19 2HB CYS 4 HB1 CYS 4 -0.046 -3.683 1.867 20 H ARG 5 HN ARG 5 0.556 0.730 0.647 21 HA ARG 5 HA ARG 5 -1.835 2.004 1.832 22 1HB ARG 5 HB2 ARG 5 0.960 2.074 2.819 23 2HB ARG 5 HB1 ARG 5 0.025 3.563 2.943 24 1HG ARG 5 HG2 ARG 5 -1.227 2.754 4.639 25 2HG ARG 5 HG1 ARG 5 -1.504 1.225 3.806 26 1HD ARG 5 HD2 ARG 5 -0.245 0.762 5.845 27 2HD ARG 5 HD1 ARG 5 0.852 0.545 4.467 28 HE ARG 5 HE ARG 5 0.829 2.906 6.284 29 1HH1 ARG 5 HH11 ARG 5 2.796 0.650 4.879 30 2HH1 ARG 5 HH12 ARG 5 3.962 1.766 4.249 31 1HH2 ARG 5 HH21 ARG 5 2.046 4.571 4.941 32 2HH2 ARG 5 HH22 ARG 5 3.538 3.985 4.284 33 H GLY 6 HN GLY 6 1.186 2.626 0.092 34 1HA GLY 6 HA2 GLY 6 0.381 5.298 -0.713 35 2HA GLY 6 HA1 GLY 6 1.711 4.380 -1.427 36 H ASP 7 HN ASP 7 1.306 3.131 -3.286 37 HA ASP 7 HA ASP 7 -1.332 3.632 -4.594 38 1HB ASP 7 HB2 ASP 7 -0.114 2.976 -6.640 39 2HB ASP 7 HB1 ASP 7 0.781 4.224 -5.778 40 H CYS 8 HN CYS 8 -0.856 1.770 -2.367 41 HA CYS 8 HA CYS 8 -1.924 -0.707 -3.583 42 1HB CYS 8 HB2 CYS 8 -0.239 -1.663 -1.626 43 2HB CYS 8 HB1 CYS 8 0.201 -1.573 -3.326 44 H PHE 9 HN PHE 9 -2.953 -2.021 -1.652 45 HA PHE 9 HA PHE 9 -3.628 -0.124 0.567 46 1HB PHE 9 HB2 PHE 9 -6.006 -0.759 0.264 47 2HB PHE 9 HB1 PHE 9 -5.338 0.018 -1.169 48 HD1 PHE 9 HD1 PHE 9 -6.729 -3.047 0.227 49 HD2 PHE 9 HD2 PHE 9 -4.682 -1.357 -3.149 50 HE1 PHE 9 HE1 PHE 9 -7.339 -5.028 -1.134 51 HE2 PHE 9 HE2 PHE 9 -5.291 -3.338 -4.509 52 HZ PHE 9 HZ PHE 9 -6.620 -5.174 -3.503 53 H CYS 10 HN CYS 10 -3.569 -0.992 2.502 54 HA CYS 10 HA CYS 10 -2.962 -3.823 2.946 55 1HB CYS 10 HB2 CYS 10 -2.736 -1.297 4.260 56 2HB CYS 10 HB1 CYS 10 -3.678 -2.339 5.321 57 H GLY 11 HN GLY 11 -5.271 -4.124 1.742 58 1HA GLY 11 HA2 GLY 11 -7.055 -5.203 3.748 59 2HA GLY 11 HA1 GLY 11 -7.731 -3.749 3.008 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 8.563 -4.124 3.059 2 2H ALA 1 HT2 ALA 1 7.474 -4.051 1.757 3 3H ALA 1 HT3 ALA 1 6.899 -4.306 3.335 4 HA ALA 1 HA ALA 1 7.835 -2.051 3.926 5 1HB ALA 1 HB1 ALA 1 9.144 -2.408 1.594 6 2HB ALA 1 HB2 ALA 1 8.800 -0.804 2.242 7 3HB ALA 1 HB3 ALA 1 7.757 -1.497 0.999 8 H CYS 2 HN CYS 2 6.504 -0.003 2.714 9 HA CYS 2 HA CYS 2 3.760 -0.981 2.121 10 1HB CYS 2 HB2 CYS 2 3.550 -0.532 4.412 11 2HB CYS 2 HB1 CYS 2 4.706 0.796 4.360 12 H ASP 3 HN ASP 3 3.735 -0.270 0.078 13 HA ASP 3 HA ASP 3 4.315 2.609 -0.443 14 1HB ASP 3 HB2 ASP 3 4.200 1.711 -2.894 15 2HB ASP 3 HB1 ASP 3 5.620 1.303 -1.935 16 H CYS 4 HN CYS 4 2.161 0.085 -1.679 17 HA CYS 4 HA CYS 4 -0.167 1.656 -0.888 18 1HB CYS 4 HB2 CYS 4 -1.047 1.618 -3.188 19 2HB CYS 4 HB1 CYS 4 0.458 2.514 -3.092 20 H ARG 5 HN ARG 5 0.872 -0.855 0.094 21 HA ARG 5 HA ARG 5 -1.394 -2.607 -0.636 22 1HB ARG 5 HB2 ARG 5 1.526 -3.231 -0.990 23 2HB ARG 5 HB1 ARG 5 0.293 -4.493 -0.957 24 1HG ARG 5 HG2 ARG 5 -0.891 -2.976 -2.757 25 2HG ARG 5 HG1 ARG 5 0.735 -2.334 -2.994 26 1HD ARG 5 HD2 ARG 5 0.446 -5.309 -2.888 27 2HD ARG 5 HD1 ARG 5 -0.101 -4.477 -4.357 28 HE ARG 5 HE ARG 5 2.143 -3.788 -4.769 29 1HH1 ARG 5 HH21 ARG 5 2.140 -6.322 -2.654 30 2HH1 ARG 5 HH22 ARG 5 3.652 -5.953 -1.894 31 1HH2 ARG 5 HH11 ARG 5 3.932 -2.825 -3.365 32 2HH2 ARG 5 HH12 ARG 5 4.667 -3.973 -2.297 33 H GLY 6 HN GLY 6 1.458 -2.305 1.456 34 1HA GLY 6 HA2 GLY 6 0.527 -4.330 3.323 35 2HA GLY 6 HA1 GLY 6 1.822 -3.168 3.647 36 H ASP 7 HN ASP 7 1.287 -1.170 4.638 37 HA ASP 7 HA ASP 7 -1.464 -1.067 5.808 38 1HB ASP 7 HB2 ASP 7 -0.421 0.458 7.435 39 2HB ASP 7 HB1 ASP 7 0.540 -1.012 7.307 40 H CYS 8 HN CYS 8 -0.764 -0.455 3.035 41 HA CYS 8 HA CYS 8 -1.842 2.296 2.850 42 1HB CYS 8 HB2 CYS 8 -0.004 2.252 0.822 43 2HB CYS 8 HB1 CYS 8 0.343 2.926 2.407 44 H PHE 9 HN PHE 9 -2.665 2.525 0.424 45 HA PHE 9 HA PHE 9 -3.212 -0.208 -0.674 46 1HB PHE 9 HB2 PHE 9 -5.592 0.428 -0.888 47 2HB PHE 9 HB1 PHE 9 -5.051 0.460 0.789 48 HD1 PHE 9 HD1 PHE 9 -6.422 2.384 -1.948 49 HD2 PHE 9 HD2 PHE 9 -4.402 2.680 1.829 50 HE1 PHE 9 HE1 PHE 9 -7.118 4.757 -1.763 51 HE2 PHE 9 HE2 PHE 9 -5.095 5.054 2.014 52 HZ PHE 9 HZ PHE 9 -6.455 6.092 0.218 53 H CYS 10 HN CYS 10 -2.953 -0.357 -2.773 54 HA CYS 10 HA CYS 10 -2.358 1.978 -4.459 55 1HB CYS 10 HB2 CYS 10 -1.869 -0.833 -4.362 56 2HB CYS 10 HB1 CYS 10 -2.702 -0.510 -5.880 57 H GLY 11 HN GLY 11 -5.244 1.028 -3.369 58 1HA GLY 11 HA2 GLY 11 -7.436 1.270 -4.151 59 2HA GLY 11 HA1 GLY 11 -6.757 2.189 -5.497 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 6.599 -5.393 1.666 2 2H ALA 1 HT2 ALA 1 6.888 -4.409 3.020 3 3H ALA 1 HT3 ALA 1 8.183 -4.922 2.048 4 HA ALA 1 HA ALA 1 7.732 -2.647 1.494 5 1HB ALA 1 HB1 ALA 1 8.361 -3.637 -0.467 6 2HB ALA 1 HB2 ALA 1 6.674 -3.385 -0.918 7 3HB ALA 1 HB3 ALA 1 7.195 -4.947 -0.286 8 H CYS 2 HN CYS 2 6.212 -1.038 1.673 9 HA CYS 2 HA CYS 2 3.343 -1.672 1.202 10 1HB CYS 2 HB2 CYS 2 3.405 -1.819 3.534 11 2HB CYS 2 HB1 CYS 2 4.704 -0.640 3.678 12 H ASP 3 HN ASP 3 3.067 -0.412 -0.522 13 HA ASP 3 HA ASP 3 3.913 2.447 -0.381 14 1HB ASP 3 HB2 ASP 3 3.392 2.279 -2.924 15 2HB ASP 3 HB1 ASP 3 4.856 1.491 -2.344 16 H CYS 4 HN CYS 4 1.358 0.572 -1.941 17 HA CYS 4 HA CYS 4 -0.671 2.029 -0.424 18 1HB CYS 4 HB2 CYS 4 -1.772 2.737 -2.506 19 2HB CYS 4 HB1 CYS 4 -0.144 3.386 -2.419 20 H ARG 5 HN ARG 5 0.195 -0.718 -0.293 21 HA ARG 5 HA ARG 5 -2.292 -2.054 -1.155 22 1HB ARG 5 HB2 ARG 5 0.486 -2.645 -2.111 23 2HB ARG 5 HB1 ARG 5 -0.755 -3.898 -2.132 24 1HG ARG 5 HG2 ARG 5 -2.171 -1.956 -3.296 25 2HG ARG 5 HG1 ARG 5 -0.561 -1.395 -3.748 26 1HD ARG 5 HD2 ARG 5 -1.230 -4.299 -4.139 27 2HD ARG 5 HD1 ARG 5 -1.817 -3.108 -5.317 28 HE ARG 5 HE ARG 5 0.462 -2.558 -5.857 29 1HH1 ARG 5 HH21 ARG 5 0.330 -5.655 -5.020 30 2HH1 ARG 5 HH22 ARG 5 1.897 -5.784 -4.294 31 1HH2 ARG 5 HH11 ARG 5 2.419 -2.359 -4.177 32 2HH2 ARG 5 HH12 ARG 5 3.079 -3.919 -3.817 33 H GLY 6 HN GLY 6 0.797 -2.544 0.509 34 1HA GLY 6 HA2 GLY 6 -0.123 -4.923 1.905 35 2HA GLY 6 HA1 GLY 6 1.321 -3.991 2.322 36 H ASP 7 HN ASP 7 1.146 -2.339 3.881 37 HA ASP 7 HA ASP 7 -1.415 -2.329 5.420 38 1HB ASP 7 HB2 ASP 7 -0.015 -1.432 7.229 39 2HB ASP 7 HB1 ASP 7 0.748 -2.872 6.560 40 H CYS 8 HN CYS 8 -0.993 -1.028 2.841 41 HA CYS 8 HA CYS 8 -1.776 1.734 3.547 42 1HB CYS 8 HB2 CYS 8 -0.164 2.155 1.381 43 2HB CYS 8 HB1 CYS 8 0.420 2.285 3.035 44 H PHE 9 HN PHE 9 -2.882 2.679 1.441 45 HA PHE 9 HA PHE 9 -3.795 0.398 -0.282 46 1HB PHE 9 HB2 PHE 9 -6.119 1.261 0.001 47 2HB PHE 9 HB1 PHE 9 -5.401 0.709 1.513 48 HD1 PHE 9 HD1 PHE 9 -6.816 3.518 -0.279 49 HD2 PHE 9 HD2 PHE 9 -4.408 2.421 3.104 50 HE1 PHE 9 HE1 PHE 9 -7.207 5.753 0.724 51 HE2 PHE 9 HE2 PHE 9 -4.797 4.656 4.105 52 HZ PHE 9 HZ PHE 9 -6.197 6.321 2.916 53 H CYS 10 HN CYS 10 -3.842 0.825 -2.364 54 HA CYS 10 HA CYS 10 -3.148 3.470 -3.421 55 1HB CYS 10 HB2 CYS 10 -3.077 0.723 -4.192 56 2HB CYS 10 HB1 CYS 10 -4.013 1.582 -5.412 57 H GLY 11 HN GLY 11 -6.030 2.429 -2.282 58 1HA GLY 11 HA2 GLY 11 -8.060 3.717 -2.561 59 2HA GLY 11 HA1 GLY 11 -7.519 4.166 -4.179
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