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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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4810 |
1fuv ![]() ![]() |
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 4.781 -1.442 -4.107 2 2H ALA 1 HT2 ALA 1 3.270 -1.294 -3.345 3 3H ALA 1 HT3 ALA 1 4.388 -2.451 -2.801 4 HA ALA 1 HA ALA 1 5.867 -0.756 -2.000 5 1HB ALA 1 HB1 ALA 1 5.035 0.646 -4.063 6 2HB ALA 1 HB2 ALA 1 5.577 1.492 -2.613 7 3HB ALA 1 HB3 ALA 1 3.853 1.282 -2.919 8 H CYS 2 HN CYS 2 5.090 1.080 -0.279 9 HA CYS 2 HA CYS 2 2.555 0.210 1.040 10 1HB CYS 2 HB2 CYS 2 4.596 0.724 3.008 11 2HB CYS 2 HB1 CYS 2 3.691 -0.756 2.740 12 H ASP 3 HN ASP 3 1.974 2.343 -0.003 13 HA ASP 3 HA ASP 3 2.781 4.586 1.817 14 1HB ASP 3 HB2 ASP 3 2.694 4.544 -1.207 15 2HB ASP 3 HB1 ASP 3 2.932 6.007 -0.250 16 H CYS 4 HN CYS 4 0.671 3.898 -0.915 17 HA CYS 4 HA CYS 4 -1.408 5.717 -0.318 18 1HB CYS 4 HB2 CYS 4 -1.609 2.945 -1.537 19 2HB CYS 4 HB1 CYS 4 -2.746 4.264 -1.785 20 H ARG 5 HN ARG 5 -3.060 2.753 -0.180 21 HA ARG 5 HA ARG 5 -2.820 2.457 2.734 22 1HB ARG 5 HB2 ARG 5 -5.270 2.981 3.067 23 2HB ARG 5 HB1 ARG 5 -4.289 4.370 2.606 24 1HG ARG 5 HG2 ARG 5 -4.954 3.868 0.192 25 2HG ARG 5 HG1 ARG 5 -6.148 2.753 0.857 26 1HD ARG 5 HD2 ARG 5 -6.125 5.444 2.104 27 2HD ARG 5 HD1 ARG 5 -6.675 5.384 0.417 28 HE ARG 5 HE ARG 5 -7.881 3.817 2.653 29 1HH1 ARG 5 HH21 ARG 5 -7.982 2.608 -0.150 30 2HH1 ARG 5 HH22 ARG 5 -9.531 3.160 -0.693 31 1HH2 ARG 5 HH11 ARG 5 -9.831 5.575 1.777 32 2HH2 ARG 5 HH12 ARG 5 -10.579 4.840 0.399 33 H GLY 6 HN GLY 6 -4.804 1.691 -0.062 34 1HA GLY 6 HA2 GLY 6 -4.840 -1.173 0.815 35 2HA GLY 6 HA1 GLY 6 -6.259 -0.394 0.111 36 H ASP 7 HN ASP 7 -3.777 1.004 -1.507 37 HA ASP 7 HA ASP 7 -3.896 -1.058 -3.656 38 1HB ASP 7 HB2 ASP 7 -3.711 1.951 -3.624 39 2HB ASP 7 HB1 ASP 7 -3.336 1.026 -5.080 40 H CYS 8 HN CYS 8 -1.782 1.360 -2.183 41 HA CYS 8 HA CYS 8 0.605 0.033 -3.323 42 1HB CYS 8 HB2 CYS 8 0.300 2.419 -1.472 43 2HB CYS 8 HB1 CYS 8 1.750 1.987 -2.372 44 H PHE 9 HN PHE 9 -0.631 -1.742 -1.807 45 HA PHE 9 HA PHE 9 0.059 -1.570 1.024 46 1HB PHE 9 HB2 PHE 9 -1.067 -3.779 1.079 47 2HB PHE 9 HB1 PHE 9 -2.033 -2.577 0.226 48 HD1 PHE 9 HD1 PHE 9 0.419 -5.348 -0.316 49 HD2 PHE 9 HD2 PHE 9 -2.701 -2.933 -2.008 50 HE1 PHE 9 HE1 PHE 9 0.379 -6.805 -2.321 51 HE2 PHE 9 HE2 PHE 9 -2.740 -4.388 -4.015 52 HZ PHE 9 HZ PHE 9 -1.200 -6.325 -4.171 53 H CYS 10 HN CYS 10 1.384 -3.243 2.092 54 HA CYS 10 HA CYS 10 3.466 -4.459 0.306 55 1HB CYS 10 HB2 CYS 10 3.614 -2.576 2.577 56 2HB CYS 10 HB1 CYS 10 4.742 -3.927 2.686 57 H GLY 11 HN GLY 11 1.007 -5.618 1.530 58 1HA GLY 11 HA2 GLY 11 1.910 -8.132 2.326 59 2HA GLY 11 HA1 GLY 11 1.779 -7.205 3.822 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 5.536 -0.856 -1.860 2 2H ALA 1 HT2 ALA 1 5.579 -0.181 -3.418 3 3H ALA 1 HT3 ALA 1 4.098 -0.664 -2.739 4 HA ALA 1 HA ALA 1 5.816 1.573 -1.781 5 1HB ALA 1 HB1 ALA 1 3.395 1.239 -3.522 6 2HB ALA 1 HB2 ALA 1 4.766 2.331 -3.718 7 3HB ALA 1 HB3 ALA 1 3.517 2.689 -2.526 8 H CYS 2 HN CYS 2 4.143 2.985 -0.391 9 HA CYS 2 HA CYS 2 2.448 1.249 1.340 10 1HB CYS 2 HB2 CYS 2 4.616 3.156 2.302 11 2HB CYS 2 HB1 CYS 2 3.579 2.164 3.327 12 H ASP 3 HN ASP 3 0.772 2.545 0.088 13 HA ASP 3 HA ASP 3 0.500 5.255 1.346 14 1HB ASP 3 HB2 ASP 3 0.213 4.486 -1.558 15 2HB ASP 3 HB1 ASP 3 -0.212 6.071 -0.909 16 H CYS 4 HN CYS 4 -1.315 3.279 -0.929 17 HA CYS 4 HA CYS 4 -3.905 4.054 -0.070 18 1HB CYS 4 HB2 CYS 4 -3.062 1.328 -1.119 19 2HB CYS 4 HB1 CYS 4 -4.644 2.077 -1.285 20 H ARG 5 HN ARG 5 -3.893 0.692 0.418 21 HA ARG 5 HA ARG 5 -3.295 0.855 3.289 22 1HB ARG 5 HB2 ARG 5 -6.009 0.805 2.064 23 2HB ARG 5 HB1 ARG 5 -5.770 -0.220 3.479 24 1HG ARG 5 HG2 ARG 5 -4.713 1.877 4.569 25 2HG ARG 5 HG1 ARG 5 -5.484 2.775 3.260 26 1HD ARG 5 HD2 ARG 5 -7.554 1.170 4.107 27 2HD ARG 5 HD1 ARG 5 -6.710 1.514 5.630 28 HE ARG 5 HE ARG 5 -7.718 3.612 3.749 29 1HH1 ARG 5 HH11 ARG 5 -8.582 2.745 6.691 30 2HH1 ARG 5 HH12 ARG 5 -8.029 4.145 7.549 31 1HH2 ARG 5 HH21 ARG 5 -6.136 5.348 4.904 32 2HH2 ARG 5 HH22 ARG 5 -6.645 5.618 6.538 33 H GLY 6 HN GLY 6 -5.367 -1.279 1.431 34 1HA GLY 6 HA2 GLY 6 -3.499 -3.543 2.009 35 2HA GLY 6 HA1 GLY 6 -5.237 -3.720 1.739 36 H ASP 7 HN ASP 7 -3.801 -1.412 -0.348 37 HA ASP 7 HA ASP 7 -3.666 -3.456 -2.538 38 1HB ASP 7 HB2 ASP 7 -4.591 -0.561 -2.589 39 2HB ASP 7 HB1 ASP 7 -4.549 -1.635 -3.988 40 H CYS 8 HN CYS 8 -2.434 -0.390 -1.303 41 HA CYS 8 HA CYS 8 -0.070 -0.606 -3.101 42 1HB CYS 8 HB2 CYS 8 -1.111 1.577 -1.261 43 2HB CYS 8 HB1 CYS 8 0.307 1.740 -2.296 44 H PHE 9 HN PHE 9 -0.615 -2.377 -0.838 45 HA PHE 9 HA PHE 9 0.593 -1.843 1.579 46 1HB PHE 9 HB2 PHE 9 1.044 -4.322 1.609 47 2HB PHE 9 HB1 PHE 9 -0.591 -3.892 1.123 48 HD1 PHE 9 HD1 PHE 9 2.780 -4.729 -0.288 49 HD2 PHE 9 HD2 PHE 9 -1.468 -4.668 -0.917 50 HE1 PHE 9 HE1 PHE 9 3.072 -6.016 -2.388 51 HE2 PHE 9 HE2 PHE 9 -1.175 -5.948 -3.020 52 HZ PHE 9 HZ PHE 9 1.094 -6.626 -3.754 53 H CYS 10 HN CYS 10 2.786 -2.770 2.351 54 HA CYS 10 HA CYS 10 4.905 -1.630 0.662 55 1HB CYS 10 HB2 CYS 10 4.932 -2.947 3.392 56 2HB CYS 10 HB1 CYS 10 6.261 -2.021 2.698 57 H GLY 11 HN GLY 11 3.755 -4.718 1.698 58 1HA GLY 11 HA2 GLY 11 4.172 -6.832 0.694 59 2HA GLY 11 HA1 GLY 11 5.429 -6.078 -0.293 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 -5.518 -2.122 2.982 2 2H ALA 1 HT2 ALA 1 -3.966 -2.099 2.289 3 3H ALA 1 HT3 ALA 1 -5.328 -2.399 1.319 4 HA ALA 1 HA ALA 1 -6.120 -0.159 1.610 5 1HB ALA 1 HB1 ALA 1 -5.363 1.136 3.350 6 2HB ALA 1 HB2 ALA 1 -3.698 0.584 3.162 7 3HB ALA 1 HB3 ALA 1 -4.871 -0.424 4.010 8 H CYS 2 HN CYS 2 -4.750 1.901 0.844 9 HA CYS 2 HA CYS 2 -2.410 1.076 -0.800 10 1HB CYS 2 HB2 CYS 2 -5.119 2.004 -1.661 11 2HB CYS 2 HB1 CYS 2 -3.735 2.618 -2.565 12 H ASP 3 HN ASP 3 -1.300 2.379 0.870 13 HA ASP 3 HA ASP 3 -1.719 5.321 0.442 14 1HB ASP 3 HB2 ASP 3 -1.084 3.790 2.971 15 2HB ASP 3 HB1 ASP 3 -1.147 5.550 2.864 16 H CYS 4 HN CYS 4 0.656 3.205 1.982 17 HA CYS 4 HA CYS 4 2.924 4.845 1.583 18 1HB CYS 4 HB2 CYS 4 2.708 1.816 1.567 19 2HB CYS 4 HB1 CYS 4 4.171 2.729 1.914 20 H ARG 5 HN ARG 5 3.623 1.968 -0.113 21 HA ARG 5 HA ARG 5 2.955 3.059 -2.760 22 1HB ARG 5 HB2 ARG 5 5.601 3.221 -1.452 23 2HB ARG 5 HB1 ARG 5 5.637 2.592 -3.100 24 1HG ARG 5 HG2 ARG 5 4.198 4.584 -3.765 25 2HG ARG 5 HG1 ARG 5 4.527 5.247 -2.164 26 1HD ARG 5 HD2 ARG 5 6.974 4.325 -3.486 27 2HD ARG 5 HD1 ARG 5 6.142 5.596 -4.404 28 HE ARG 5 HE ARG 5 7.020 5.850 -1.560 29 1HH1 ARG 5 HH11 ARG 5 8.295 7.510 -3.683 30 2HH1 ARG 5 HH12 ARG 5 7.410 8.995 -3.577 31 1HH2 ARG 5 HH21 ARG 5 4.795 7.617 -1.765 32 2HH2 ARG 5 HH22 ARG 5 5.429 9.056 -2.491 33 H GLY 6 HN GLY 6 5.510 0.887 -1.772 34 1HA GLY 6 HA2 GLY 6 4.061 -1.386 -3.083 35 2HA GLY 6 HA1 GLY 6 5.820 -1.242 -3.013 36 H ASP 7 HN ASP 7 3.994 -0.291 -0.210 37 HA ASP 7 HA ASP 7 4.728 -2.869 1.126 38 1HB ASP 7 HB2 ASP 7 4.975 -0.023 2.150 39 2HB ASP 7 HB1 ASP 7 5.344 -1.467 3.094 40 H CYS 8 HN CYS 8 2.682 0.045 1.333 41 HA CYS 8 HA CYS 8 0.749 -1.424 3.038 42 1HB CYS 8 HB2 CYS 8 0.872 1.411 1.961 43 2HB CYS 8 HB1 CYS 8 -0.336 0.830 3.104 44 H PHE 9 HN PHE 9 1.354 -2.000 0.138 45 HA PHE 9 HA PHE 9 -0.465 -1.197 -1.746 46 1HB PHE 9 HB2 PHE 9 -0.135 -3.484 -2.700 47 2HB PHE 9 HB1 PHE 9 1.367 -2.740 -2.158 48 HD1 PHE 9 HD1 PHE 9 2.520 -3.541 -0.144 49 HD2 PHE 9 HD2 PHE 9 -1.123 -5.361 -1.494 50 HE1 PHE 9 HE1 PHE 9 2.937 -5.480 1.343 51 HE2 PHE 9 HE2 PHE 9 -0.710 -7.300 -0.007 52 HZ PHE 9 HZ PHE 9 1.322 -7.359 1.411 53 H CYS 10 HN CYS 10 -2.368 -2.595 -2.626 54 HA CYS 10 HA CYS 10 -4.304 -2.975 -0.422 55 1HB CYS 10 HB2 CYS 10 -4.375 -2.560 -3.391 56 2HB CYS 10 HB1 CYS 10 -5.803 -3.195 -2.577 57 H GLY 11 HN GLY 11 -2.551 -4.815 -2.748 58 1HA GLY 11 HA2 GLY 11 -2.251 -7.247 -2.220 59 2HA GLY 11 HA1 GLY 11 -3.977 -7.293 -1.854 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 -5.159 -3.173 0.999 2 2H ALA 1 HT2 ALA 1 -6.200 -2.920 2.317 3 3H ALA 1 HT3 ALA 1 -4.544 -2.565 2.458 4 HA ALA 1 HA ALA 1 -6.554 -1.120 0.806 5 1HB ALA 1 HB1 ALA 1 -6.210 0.599 2.403 6 2HB ALA 1 HB2 ALA 1 -4.706 -0.122 2.976 7 3HB ALA 1 HB3 ALA 1 -6.251 -0.874 3.373 8 H CYS 2 HN CYS 2 -5.263 1.107 0.256 9 HA CYS 2 HA CYS 2 -2.514 0.497 -0.715 10 1HB CYS 2 HB2 CYS 2 -5.005 1.069 -2.279 11 2HB CYS 2 HB1 CYS 2 -3.493 1.761 -2.868 12 H ASP 3 HN ASP 3 -2.033 1.997 1.098 13 HA ASP 3 HA ASP 3 -2.767 4.837 0.474 14 1HB ASP 3 HB2 ASP 3 -2.431 3.245 2.980 15 2HB ASP 3 HB1 ASP 3 -2.119 4.980 3.037 16 H CYS 4 HN CYS 4 -0.267 3.271 2.383 17 HA CYS 4 HA CYS 4 1.746 5.199 2.165 18 1HB CYS 4 HB2 CYS 4 2.057 2.178 2.133 19 2HB CYS 4 HB1 CYS 4 3.266 3.330 2.689 20 H ARG 5 HN ARG 5 3.011 2.437 0.568 21 HA ARG 5 HA ARG 5 2.566 3.471 -2.141 22 1HB ARG 5 HB2 ARG 5 5.101 3.782 -0.568 23 2HB ARG 5 HB1 ARG 5 5.216 3.521 -2.308 24 1HG ARG 5 HG2 ARG 5 3.326 5.422 -2.322 25 2HG ARG 5 HG1 ARG 5 4.126 5.860 -0.811 26 1HD ARG 5 HD2 ARG 5 6.316 5.502 -2.352 27 2HD ARG 5 HD1 ARG 5 5.160 6.005 -3.602 28 HE ARG 5 HE ARG 5 5.764 7.594 -1.138 29 1HH1 ARG 5 HH11 ARG 5 6.095 7.781 -4.398 30 2HH1 ARG 5 HH12 ARG 5 5.169 9.227 -4.624 31 1HH2 ARG 5 HH21 ARG 5 3.904 9.240 -1.395 32 2HH2 ARG 5 HH22 ARG 5 3.929 10.053 -2.924 33 H GLY 6 HN GLY 6 5.382 1.713 -1.109 34 1HA GLY 6 HA2 GLY 6 4.356 -0.732 -2.488 35 2HA GLY 6 HA1 GLY 6 6.059 -0.363 -2.197 36 H ASP 7 HN ASP 7 3.643 0.165 0.294 37 HA ASP 7 HA ASP 7 4.605 -2.276 1.728 38 1HB ASP 7 HB2 ASP 7 4.419 0.588 2.703 39 2HB ASP 7 HB1 ASP 7 4.684 -0.784 3.779 40 H CYS 8 HN CYS 8 2.230 0.388 1.870 41 HA CYS 8 HA CYS 8 0.297 -1.362 3.258 42 1HB CYS 8 HB2 CYS 8 0.208 1.499 2.240 43 2HB CYS 8 HB1 CYS 8 -1.055 0.752 3.216 44 H PHE 9 HN PHE 9 1.269 -1.895 0.482 45 HA PHE 9 HA PHE 9 -0.476 -1.203 -1.575 46 1HB PHE 9 HB2 PHE 9 0.331 -3.380 -2.568 47 2HB PHE 9 HB1 PHE 9 1.611 -2.343 -1.945 48 HD1 PHE 9 HD1 PHE 9 -0.699 -5.052 -0.709 49 HD2 PHE 9 HD2 PHE 9 3.231 -3.324 -0.593 50 HE1 PHE 9 HE1 PHE 9 0.051 -6.866 0.796 51 HE2 PHE 9 HE2 PHE 9 3.981 -5.145 0.914 52 HZ PHE 9 HZ PHE 9 2.391 -6.915 1.609 53 H CYS 10 HN CYS 10 -1.879 -3.022 -2.722 54 HA CYS 10 HA CYS 10 -3.952 -3.855 -0.767 55 1HB CYS 10 HB2 CYS 10 -3.819 -3.471 -3.759 56 2HB CYS 10 HB1 CYS 10 -5.228 -4.175 -2.968 57 H GLY 11 HN GLY 11 -1.392 -5.200 -2.537 58 1HA GLY 11 HA2 GLY 11 -0.717 -7.516 -2.217 59 2HA GLY 11 HA1 GLY 11 -2.410 -7.935 -1.959 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 3.939 -4.130 -1.468 2 2H ALA 1 HT2 ALA 1 3.929 -4.170 -3.166 3 3H ALA 1 HT3 ALA 1 2.608 -3.515 -2.320 4 HA ALA 1 HA ALA 1 5.359 -2.376 -2.313 5 1HB ALA 1 HB1 ALA 1 4.219 -2.320 -4.508 6 2HB ALA 1 HB2 ALA 1 4.321 -0.702 -3.814 7 3HB ALA 1 HB3 ALA 1 2.801 -1.593 -3.751 8 H CYS 2 HN CYS 2 4.828 0.135 -1.825 9 HA CYS 2 HA CYS 2 2.841 0.383 0.397 10 1HB CYS 2 HB2 CYS 2 5.825 0.523 0.453 11 2HB CYS 2 HB1 CYS 2 4.957 1.725 1.408 12 H ASP 3 HN ASP 3 1.788 1.612 -1.450 13 HA ASP 3 HA ASP 3 2.963 4.370 -1.612 14 1HB ASP 3 HB2 ASP 3 1.881 2.573 -3.775 15 2HB ASP 3 HB1 ASP 3 2.072 4.312 -4.008 16 H CYS 4 HN CYS 4 0.041 2.732 -2.714 17 HA CYS 4 HA CYS 4 -1.750 4.897 -2.454 18 1HB CYS 4 HB2 CYS 4 -2.345 1.967 -1.903 19 2HB CYS 4 HB1 CYS 4 -3.486 3.180 -2.473 20 H ARG 5 HN ARG 5 -2.940 2.530 -0.261 21 HA ARG 5 HA ARG 5 -1.822 3.876 2.108 22 1HB ARG 5 HB2 ARG 5 -4.468 4.393 0.917 23 2HB ARG 5 HB1 ARG 5 -4.514 4.057 2.647 24 1HG ARG 5 HG2 ARG 5 -2.620 5.769 2.875 25 2HG ARG 5 HG1 ARG 5 -2.989 6.236 1.215 26 1HD ARG 5 HD2 ARG 5 -5.225 6.896 1.796 27 2HD ARG 5 HD1 ARG 5 -5.085 6.167 3.408 28 HE ARG 5 HE ARG 5 -3.651 8.623 2.506 29 1HH1 ARG 5 HH21 ARG 5 -2.018 7.044 4.449 30 2HH1 ARG 5 HH22 ARG 5 -2.534 7.688 5.972 31 1HH2 ARG 5 HH11 ARG 5 -5.391 9.167 4.684 32 2HH2 ARG 5 HH12 ARG 5 -4.440 8.888 6.105 33 H GLY 6 HN GLY 6 -4.837 2.155 1.670 34 1HA GLY 6 HA2 GLY 6 -3.809 -0.021 3.445 35 2HA GLY 6 HA1 GLY 6 -5.513 0.410 3.269 36 H ASP 7 HN ASP 7 -3.873 0.510 0.283 37 HA ASP 7 HA ASP 7 -4.872 -2.232 -0.380 38 1HB ASP 7 HB2 ASP 7 -4.828 0.352 -1.967 39 2HB ASP 7 HB1 ASP 7 -5.268 -1.209 -2.664 40 H CYS 8 HN CYS 8 -2.497 0.258 -1.240 41 HA CYS 8 HA CYS 8 -0.784 -1.781 -2.537 42 1HB CYS 8 HB2 CYS 8 -0.540 1.214 -2.088 43 2HB CYS 8 HB1 CYS 8 0.595 0.257 -3.041 44 H PHE 9 HN PHE 9 -1.201 -2.360 0.088 45 HA PHE 9 HA PHE 9 0.823 -1.167 1.814 46 1HB PHE 9 HB2 PHE 9 -0.169 -2.752 3.464 47 2HB PHE 9 HB1 PHE 9 -1.379 -1.762 2.656 48 HD1 PHE 9 HD1 PHE 9 0.281 -5.115 2.500 49 HD2 PHE 9 HD2 PHE 9 -3.172 -2.763 1.507 50 HE1 PHE 9 HE1 PHE 9 -0.902 -7.164 1.759 51 HE2 PHE 9 HE2 PHE 9 -4.353 -4.812 0.762 52 HZ PHE 9 HZ PHE 9 -3.218 -7.012 0.889 53 H CYS 10 HN CYS 10 2.414 -2.565 2.984 54 HA CYS 10 HA CYS 10 3.648 -4.545 1.139 55 1HB CYS 10 HB2 CYS 10 4.600 -3.019 3.577 56 2HB CYS 10 HB1 CYS 10 5.598 -4.195 2.725 57 H GLY 11 HN GLY 11 1.616 -4.545 3.790 58 1HA GLY 11 HA2 GLY 11 1.199 -7.165 4.227 59 2HA GLY 11 HA1 GLY 11 2.743 -6.963 5.057 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 2.947 2.380 3.147 2 2H ALA 1 HT2 ALA 1 3.636 3.872 2.716 3 3H ALA 1 HT3 ALA 1 4.277 2.980 4.012 4 HA ALA 1 HA ALA 1 5.635 2.821 1.950 5 1HB ALA 1 HB1 ALA 1 5.772 0.327 2.197 6 2HB ALA 1 HB2 ALA 1 4.270 0.376 3.119 7 3HB ALA 1 HB3 ALA 1 5.715 1.170 3.745 8 H CYS 2 HN CYS 2 5.556 0.795 0.189 9 HA CYS 2 HA CYS 2 2.972 0.883 -1.299 10 1HB CYS 2 HB2 CYS 2 5.601 2.091 -1.991 11 2HB CYS 2 HB1 CYS 2 4.818 1.192 -3.290 12 H ASP 3 HN ASP 3 2.966 -1.398 -0.491 13 HA ASP 3 HA ASP 3 4.721 -3.112 -2.217 14 1HB ASP 3 HB2 ASP 3 4.257 -3.172 0.754 15 2HB ASP 3 HB1 ASP 3 4.764 -4.628 -0.103 16 H CYS 4 HN CYS 4 2.161 -3.522 0.160 17 HA CYS 4 HA CYS 4 0.918 -5.793 -0.942 18 1HB CYS 4 HB2 CYS 4 -0.338 -3.414 0.466 19 2HB CYS 4 HB1 CYS 4 -1.036 -5.027 0.370 20 H ARG 5 HN ARG 5 -1.595 -3.526 -1.112 21 HA ARG 5 HA ARG 5 -1.116 -2.807 -3.919 22 1HB ARG 5 HB2 ARG 5 -3.197 -4.026 -4.663 23 2HB ARG 5 HB1 ARG 5 -1.893 -5.094 -4.150 24 1HG ARG 5 HG2 ARG 5 -3.016 -5.024 -1.819 25 2HG ARG 5 HG1 ARG 5 -4.419 -4.373 -2.665 26 1HD ARG 5 HD2 ARG 5 -3.504 -6.616 -4.175 27 2HD ARG 5 HD1 ARG 5 -3.597 -7.116 -2.475 28 HE ARG 5 HE ARG 5 -5.865 -5.884 -3.990 29 1HH1 ARG 5 HH11 ARG 5 -5.160 -8.757 -2.652 30 2HH1 ARG 5 HH12 ARG 5 -6.418 -8.772 -1.462 31 1HH2 ARG 5 HH21 ARG 5 -7.235 -5.431 -1.896 32 2HH2 ARG 5 HH22 ARG 5 -7.592 -6.890 -1.034 33 H GLY 6 HN GLY 6 -3.500 -3.042 -1.363 34 1HA GLY 6 HA2 GLY 6 -4.303 -0.214 -1.894 35 2HA GLY 6 HA1 GLY 6 -5.537 -1.460 -1.669 36 H ASP 7 HN ASP 7 -2.946 -2.326 0.235 37 HA ASP 7 HA ASP 7 -4.155 -0.989 2.609 38 1HB ASP 7 HB2 ASP 7 -2.983 -3.698 2.057 39 2HB ASP 7 HB1 ASP 7 -2.979 -3.077 3.708 40 H CYS 8 HN CYS 8 -1.142 -2.038 1.119 41 HA CYS 8 HA CYS 8 0.424 -0.425 3.058 42 1HB CYS 8 HB2 CYS 8 1.193 -2.314 0.810 43 2HB CYS 8 HB1 CYS 8 2.324 -1.599 1.957 44 H PHE 9 HN PHE 9 -1.325 0.903 1.277 45 HA PHE 9 HA PHE 9 -0.094 1.824 -1.128 46 1HB PHE 9 HB2 PHE 9 -1.896 3.553 -0.974 47 2HB PHE 9 HB1 PHE 9 -2.492 1.915 -0.720 48 HD1 PHE 9 HD1 PHE 9 -1.212 4.888 1.183 49 HD2 PHE 9 HD2 PHE 9 -3.736 1.415 1.199 50 HE1 PHE 9 HE1 PHE 9 -2.106 5.550 3.396 51 HE2 PHE 9 HE2 PHE 9 -4.631 2.077 3.415 52 HZ PHE 9 HZ PHE 9 -3.816 4.145 4.513 53 H CYS 10 HN CYS 10 0.428 4.253 -1.434 54 HA CYS 10 HA CYS 10 2.189 5.146 0.805 55 1HB CYS 10 HB2 CYS 10 2.112 5.528 -2.181 56 2HB CYS 10 HB1 CYS 10 3.058 6.619 -1.170 57 H GLY 11 HN GLY 11 -0.820 5.796 -0.507 58 1HA GLY 11 HA2 GLY 11 -0.944 8.392 0.890 59 2HA GLY 11 HA1 GLY 11 -1.302 8.424 -0.838 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -3.607 -4.138 1.882 2 2H ALA 1 HT2 ALA 1 -4.154 -3.773 3.449 3 3H ALA 1 HT3 ALA 1 -2.766 -3.010 2.831 4 HA ALA 1 HA ALA 1 -5.536 -2.659 1.790 5 1HB ALA 1 HB1 ALA 1 -4.681 -0.266 2.751 6 2HB ALA 1 HB2 ALA 1 -3.801 -1.357 3.821 7 3HB ALA 1 HB3 ALA 1 -5.561 -1.437 3.735 8 H CYS 2 HN CYS 2 -5.198 -0.191 0.746 9 HA CYS 2 HA CYS 2 -2.791 -0.214 -1.029 10 1HB CYS 2 HB2 CYS 2 -5.666 -0.618 -1.694 11 2HB CYS 2 HB1 CYS 2 -4.781 0.482 -2.750 12 H ASP 3 HN ASP 3 -2.301 1.608 0.527 13 HA ASP 3 HA ASP 3 -3.723 4.102 -0.340 14 1HB ASP 3 HB2 ASP 3 -3.167 2.992 2.384 15 2HB ASP 3 HB1 ASP 3 -3.247 4.741 2.169 16 H CYS 4 HN CYS 4 -1.040 3.294 1.792 17 HA CYS 4 HA CYS 4 0.590 5.529 1.311 18 1HB CYS 4 HB2 CYS 4 1.482 2.657 1.724 19 2HB CYS 4 HB1 CYS 4 2.402 4.097 2.140 20 H ARG 5 HN ARG 5 2.487 2.924 0.170 21 HA ARG 5 HA ARG 5 1.858 3.371 -2.665 22 1HB ARG 5 HB2 ARG 5 4.192 4.535 -1.201 23 2HB ARG 5 HB1 ARG 5 4.465 3.964 -2.847 24 1HG ARG 5 HG2 ARG 5 2.105 5.354 -3.116 25 2HG ARG 5 HG1 ARG 5 2.954 6.310 -1.902 26 1HD ARG 5 HD2 ARG 5 4.994 6.212 -3.472 27 2HD ARG 5 HD1 ARG 5 3.860 5.639 -4.713 28 HE ARG 5 HE ARG 5 3.643 8.269 -3.305 29 1HH1 ARG 5 HH11 ARG 5 4.346 8.256 -6.188 30 2HH1 ARG 5 HH12 ARG 5 2.808 8.465 -6.955 31 1HH2 ARG 5 HH21 ARG 5 0.982 7.609 -4.135 32 2HH2 ARG 5 HH22 ARG 5 0.906 8.099 -5.795 33 H GLY 6 HN GLY 6 4.929 2.447 -1.281 34 1HA GLY 6 HA2 GLY 6 4.615 -0.276 -2.447 35 2HA GLY 6 HA1 GLY 6 6.143 0.470 -1.970 36 H ASP 7 HN ASP 7 3.726 1.027 0.370 37 HA ASP 7 HA ASP 7 4.760 -1.268 1.992 38 1HB ASP 7 HB2 ASP 7 4.254 1.634 2.578 39 2HB ASP 7 HB1 ASP 7 4.181 0.461 3.894 40 H CYS 8 HN CYS 8 2.005 0.983 1.748 41 HA CYS 8 HA CYS 8 0.236 -0.963 3.083 42 1HB CYS 8 HB2 CYS 8 -0.205 1.740 1.776 43 2HB CYS 8 HB1 CYS 8 -1.419 0.878 2.718 44 H PHE 9 HN PHE 9 1.441 -1.899 0.697 45 HA PHE 9 HA PHE 9 -0.296 -1.559 -1.588 46 1HB PHE 9 HB2 PHE 9 1.218 -3.292 -2.539 47 2HB PHE 9 HB1 PHE 9 2.102 -1.972 -1.776 48 HD1 PHE 9 HD1 PHE 9 0.747 -5.395 -1.088 49 HD2 PHE 9 HD2 PHE 9 3.673 -2.419 -0.084 50 HE1 PHE 9 HE1 PHE 9 1.883 -7.017 0.402 51 HE2 PHE 9 HE2 PHE 9 4.809 -4.040 1.409 52 HZ PHE 9 HZ PHE 9 3.914 -6.339 1.652 53 H CYS 10 HN CYS 10 -1.291 -3.561 -2.664 54 HA CYS 10 HA CYS 10 -2.714 -5.192 -0.613 55 1HB CYS 10 HB2 CYS 10 -3.255 -4.465 -3.501 56 2HB CYS 10 HB1 CYS 10 -4.260 -5.591 -2.591 57 H GLY 11 HN GLY 11 -0.183 -5.439 -2.814 58 1HA GLY 11 HA2 GLY 11 0.403 -8.141 -2.367 59 2HA GLY 11 HA1 GLY 11 -0.607 -8.113 -3.813 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 3.096 5.284 2.632 2 2H ALA 1 HT2 ALA 1 1.930 4.055 2.500 3 3H ALA 1 HT3 ALA 1 2.407 4.929 1.123 4 HA ALA 1 HA ALA 1 4.703 4.020 1.427 5 1HB ALA 1 HB1 ALA 1 3.337 2.073 3.274 6 2HB ALA 1 HB2 ALA 1 3.969 3.593 3.906 7 3HB ALA 1 HB3 ALA 1 5.056 2.440 3.133 8 H CYS 2 HN CYS 2 4.824 1.268 1.202 9 HA CYS 2 HA CYS 2 2.623 0.419 -0.620 10 1HB CYS 2 HB2 CYS 2 5.016 1.518 -1.501 11 2HB CYS 2 HB1 CYS 2 5.350 -0.212 -1.546 12 H ASP 3 HN ASP 3 2.177 -0.985 1.277 13 HA ASP 3 HA ASP 3 4.072 -3.305 1.364 14 1HB ASP 3 HB2 ASP 3 2.921 -1.611 3.544 15 2HB ASP 3 HB1 ASP 3 3.280 -3.305 3.881 16 H CYS 4 HN CYS 4 0.936 -2.431 2.725 17 HA CYS 4 HA CYS 4 -0.191 -5.025 2.749 18 1HB CYS 4 HB2 CYS 4 -1.651 -2.424 2.184 19 2HB CYS 4 HB1 CYS 4 -2.318 -3.859 2.951 20 H ARG 5 HN ARG 5 -2.287 -3.307 0.703 21 HA ARG 5 HA ARG 5 -1.074 -4.251 -1.796 22 1HB ARG 5 HB2 ARG 5 -3.276 -5.609 -0.326 23 2HB ARG 5 HB1 ARG 5 -3.472 -5.475 -2.074 24 1HG ARG 5 HG2 ARG 5 -0.952 -6.307 -2.083 25 2HG ARG 5 HG1 ARG 5 -1.398 -6.961 -0.507 26 1HD ARG 5 HD2 ARG 5 -2.580 -8.641 -1.468 27 2HD ARG 5 HD1 ARG 5 -3.465 -7.499 -2.500 28 HE ARG 5 HE ARG 5 -1.591 -7.585 -4.094 29 1HH1 ARG 5 HH21 ARG 5 -2.481 -10.461 -2.968 30 2HH1 ARG 5 HH22 ARG 5 -0.941 -11.249 -3.056 31 1HH2 ARG 5 HH11 ARG 5 0.829 -8.311 -3.564 32 2HH2 ARG 5 HH12 ARG 5 0.933 -10.031 -3.394 33 H GLY 6 HN GLY 6 -4.499 -3.924 -1.306 34 1HA GLY 6 HA2 GLY 6 -4.535 -1.515 -3.038 35 2HA GLY 6 HA1 GLY 6 -5.933 -2.501 -2.602 36 H ASP 7 HN ASP 7 -3.624 -1.464 -0.175 37 HA ASP 7 HA ASP 7 -5.510 0.641 0.764 38 1HB ASP 7 HB2 ASP 7 -4.570 -1.858 2.156 39 2HB ASP 7 HB1 ASP 7 -5.029 -0.441 3.102 40 H CYS 8 HN CYS 8 -2.381 -0.949 1.421 41 HA CYS 8 HA CYS 8 -1.272 1.614 2.410 42 1HB CYS 8 HB2 CYS 8 -0.162 -1.193 2.092 43 2HB CYS 8 HB1 CYS 8 0.722 0.138 2.832 44 H PHE 9 HN PHE 9 -2.139 1.316 -0.368 45 HA PHE 9 HA PHE 9 -0.142 0.755 -2.241 46 1HB PHE 9 HB2 PHE 9 -1.495 2.281 -3.690 47 2HB PHE 9 HB1 PHE 9 -2.486 1.143 -2.780 48 HD1 PHE 9 HD1 PHE 9 -1.129 4.628 -2.656 49 HD2 PHE 9 HD2 PHE 9 -4.203 1.921 -1.374 50 HE1 PHE 9 HE1 PHE 9 -2.368 6.519 -1.641 51 HE2 PHE 9 HE2 PHE 9 -5.443 3.811 -0.356 52 HZ PHE 9 HZ PHE 9 -4.526 6.111 -0.490 53 H CYS 10 HN CYS 10 1.158 2.311 -3.535 54 HA CYS 10 HA CYS 10 2.009 4.739 -1.988 55 1HB CYS 10 HB2 CYS 10 4.329 4.139 -2.697 56 2HB CYS 10 HB1 CYS 10 3.598 2.888 -1.696 57 H GLY 11 HN GLY 11 0.237 5.381 -3.795 58 1HA GLY 11 HA2 GLY 11 1.775 6.637 -5.959 59 2HA GLY 11 HA1 GLY 11 0.562 5.473 -6.496 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 4.913 -3.063 -3.504 2 2H ALA 1 HT2 ALA 1 3.431 -2.360 -3.060 3 3H ALA 1 HT3 ALA 1 4.078 -3.635 -2.143 4 HA ALA 1 HA ALA 1 6.013 -2.172 -1.597 5 1HB ALA 1 HB1 ALA 1 4.188 -0.327 -3.154 6 2HB ALA 1 HB2 ALA 1 5.880 -0.703 -3.480 7 3HB ALA 1 HB3 ALA 1 5.449 0.285 -2.085 8 H CYS 2 HN CYS 2 5.555 -0.190 0.048 9 HA CYS 2 HA CYS 2 2.949 -0.584 1.461 10 1HB CYS 2 HB2 CYS 2 5.563 -0.488 2.971 11 2HB CYS 2 HB1 CYS 2 4.020 -1.157 3.488 12 H ASP 3 HN ASP 3 2.686 1.623 0.415 13 HA ASP 3 HA ASP 3 3.991 3.700 2.132 14 1HB ASP 3 HB2 ASP 3 3.878 3.416 -0.846 15 2HB ASP 3 HB1 ASP 3 3.956 5.030 -0.137 16 H CYS 4 HN CYS 4 1.731 3.794 -0.561 17 HA CYS 4 HA CYS 4 0.060 5.850 0.358 18 1HB CYS 4 HB2 CYS 4 -0.805 3.350 -1.130 19 2HB CYS 4 HB1 CYS 4 -1.574 4.929 -1.209 20 H ARG 5 HN ARG 5 -2.066 3.187 0.222 21 HA ARG 5 HA ARG 5 -1.951 2.624 3.100 22 1HB ARG 5 HB2 ARG 5 -3.876 4.458 1.776 23 2HB ARG 5 HB1 ARG 5 -4.567 3.336 2.949 24 1HG ARG 5 HG2 ARG 5 -2.450 4.147 4.379 25 2HG ARG 5 HG1 ARG 5 -2.653 5.583 3.376 26 1HD ARG 5 HD2 ARG 5 -5.043 4.358 4.753 27 2HD ARG 5 HD1 ARG 5 -3.973 5.475 5.624 28 HE ARG 5 HE ARG 5 -5.562 6.158 3.203 29 1HH1 ARG 5 HH11 ARG 5 -5.546 7.468 6.026 30 2HH1 ARG 5 HH12 ARG 5 -4.748 8.961 5.660 31 1HH2 ARG 5 HH21 ARG 5 -3.581 7.887 2.577 32 2HH2 ARG 5 HH22 ARG 5 -3.635 9.198 3.707 33 H GLY 6 HN GLY 6 -4.783 2.453 1.067 34 1HA GLY 6 HA2 GLY 6 -4.748 -0.512 1.276 35 2HA GLY 6 HA1 GLY 6 -6.137 0.476 0.815 36 H ASP 7 HN ASP 7 -3.260 1.485 -0.726 37 HA ASP 7 HA ASP 7 -4.028 -0.036 -3.192 38 1HB ASP 7 HB2 ASP 7 -3.091 2.817 -2.781 39 2HB ASP 7 HB1 ASP 7 -3.230 2.063 -4.370 40 H CYS 8 HN CYS 8 -1.318 1.840 -1.822 41 HA CYS 8 HA CYS 8 0.635 0.213 -3.300 42 1HB CYS 8 HB2 CYS 8 0.886 2.359 -1.164 43 2HB CYS 8 HB1 CYS 8 2.226 1.729 -2.118 44 H PHE 9 HN PHE 9 -1.118 -1.193 -1.483 45 HA PHE 9 HA PHE 9 0.182 -1.713 1.031 46 1HB PHE 9 HB2 PHE 9 -1.564 -3.442 1.200 47 2HB PHE 9 HB1 PHE 9 -2.243 -1.931 0.599 48 HD1 PHE 9 HD1 PHE 9 -0.959 -5.264 -0.470 49 HD2 PHE 9 HD2 PHE 9 -3.287 -1.816 -1.530 50 HE1 PHE 9 HE1 PHE 9 -1.772 -6.438 -2.497 51 HE2 PHE 9 HE2 PHE 9 -4.100 -2.988 -3.558 52 HZ PHE 9 HZ PHE 9 -3.342 -5.299 -4.041 53 H CYS 10 HN CYS 10 0.908 -3.990 1.611 54 HA CYS 10 HA CYS 10 2.050 -5.541 -0.663 55 1HB CYS 10 HB2 CYS 10 4.230 -5.579 0.724 56 2HB CYS 10 HB1 CYS 10 3.856 -4.088 -0.133 57 H GLY 11 HN GLY 11 0.040 -6.728 0.411 58 1HA GLY 11 HA2 GLY 11 1.052 -8.990 1.849 59 2HA GLY 11 HA1 GLY 11 0.203 -7.920 2.966 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 -4.097 -4.709 3.483 2 2H ALA 1 HT2 ALA 1 -2.695 -4.018 2.818 3 3H ALA 1 HT3 ALA 1 -3.796 -4.840 1.819 4 HA ALA 1 HA ALA 1 -5.470 -3.153 2.175 5 1HB ALA 1 HB1 ALA 1 -4.515 -1.141 3.566 6 2HB ALA 1 HB2 ALA 1 -3.379 -2.341 4.181 7 3HB ALA 1 HB3 ALA 1 -5.112 -2.565 4.419 8 H CYS 2 HN CYS 2 -5.241 -0.828 1.281 9 HA CYS 2 HA CYS 2 -2.749 -0.406 -0.301 10 1HB CYS 2 HB2 CYS 2 -5.101 -1.570 -1.287 11 2HB CYS 2 HB1 CYS 2 -5.214 0.115 -1.793 12 H ASP 3 HN ASP 3 -2.519 1.329 1.334 13 HA ASP 3 HA ASP 3 -4.297 3.663 0.702 14 1HB ASP 3 HB2 ASP 3 -3.405 2.486 3.316 15 2HB ASP 3 HB1 ASP 3 -3.852 4.189 3.218 16 H CYS 4 HN CYS 4 -1.375 3.039 2.582 17 HA CYS 4 HA CYS 4 -0.150 5.556 2.225 18 1HB CYS 4 HB2 CYS 4 1.228 2.855 2.368 19 2HB CYS 4 HB1 CYS 4 1.901 4.399 2.877 20 H ARG 5 HN ARG 5 2.056 3.378 0.800 21 HA ARG 5 HA ARG 5 1.198 3.906 -1.957 22 1HB ARG 5 HB2 ARG 5 3.419 5.321 -0.526 23 2HB ARG 5 HB1 ARG 5 3.632 4.953 -2.237 24 1HG ARG 5 HG2 ARG 5 1.144 5.957 -2.352 25 2HG ARG 5 HG1 ARG 5 1.717 6.824 -0.926 26 1HD ARG 5 HD2 ARG 5 3.352 7.980 -2.115 27 2HD ARG 5 HD1 ARG 5 3.480 6.721 -3.359 28 HE ARG 5 HE ARG 5 1.310 7.484 -4.255 29 1HH1 ARG 5 HH21 ARG 5 3.311 9.874 -3.869 30 2HH1 ARG 5 HH22 ARG 5 2.200 11.098 -3.351 31 1HH2 ARG 5 HH11 ARG 5 -0.369 8.861 -2.701 32 2HH2 ARG 5 HH12 ARG 5 0.115 10.523 -2.690 33 H GLY 6 HN GLY 6 4.482 3.428 -0.860 34 1HA GLY 6 HA2 GLY 6 4.500 0.736 -2.143 35 2HA GLY 6 HA1 GLY 6 5.928 1.708 -1.777 36 H ASP 7 HN ASP 7 3.479 1.548 0.667 37 HA ASP 7 HA ASP 7 5.103 -0.464 2.184 38 1HB ASP 7 HB2 ASP 7 4.071 2.270 2.895 39 2HB ASP 7 HB1 ASP 7 4.301 1.072 4.169 40 H CYS 8 HN CYS 8 1.987 1.263 2.170 41 HA CYS 8 HA CYS 8 0.652 -1.047 3.447 42 1HB CYS 8 HB2 CYS 8 -0.328 1.644 2.437 43 2HB CYS 8 HB1 CYS 8 -1.292 0.515 3.385 44 H PHE 9 HN PHE 9 1.859 -1.327 0.799 45 HA PHE 9 HA PHE 9 0.102 -1.077 -1.376 46 1HB PHE 9 HB2 PHE 9 1.594 -2.784 -2.390 47 2HB PHE 9 HB1 PHE 9 2.509 -1.562 -1.507 48 HD1 PHE 9 HD1 PHE 9 1.078 -4.995 -1.242 49 HD2 PHE 9 HD2 PHE 9 3.882 -2.155 0.339 50 HE1 PHE 9 HE1 PHE 9 2.066 -6.765 0.184 51 HE2 PHE 9 HE2 PHE 9 4.871 -3.925 1.766 52 HZ PHE 9 HZ PHE 9 3.962 -6.230 1.689 53 H CYS 10 HN CYS 10 -1.062 -2.872 -2.526 54 HA CYS 10 HA CYS 10 -2.111 -4.968 -0.651 55 1HB CYS 10 HB2 CYS 10 -4.319 -4.589 -1.753 56 2HB CYS 10 HB1 CYS 10 -3.729 -3.145 -0.937 57 H GLY 11 HN GLY 11 -0.190 -4.662 -3.215 58 1HA GLY 11 HA2 GLY 11 -1.363 -7.018 -4.645 59 2HA GLY 11 HA1 GLY 11 -0.421 -5.771 -5.466 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 -5.111 -2.870 3.993 2 2H ALA 1 HT2 ALA 1 -3.653 -2.013 3.833 3 3H ALA 1 HT3 ALA 1 -3.967 -3.352 2.835 4 HA ALA 1 HA ALA 1 -5.914 -2.097 1.906 5 1HB ALA 1 HB1 ALA 1 -5.943 0.302 2.446 6 2HB ALA 1 HB2 ALA 1 -4.519 0.102 3.467 7 3HB ALA 1 HB3 ALA 1 -6.046 -0.650 3.927 8 H CYS 2 HN CYS 2 -5.277 0.017 0.392 9 HA CYS 2 HA CYS 2 -2.473 -0.285 -0.590 10 1HB CYS 2 HB2 CYS 2 -4.793 -1.470 -1.718 11 2HB CYS 2 HB1 CYS 2 -4.405 -0.098 -2.754 12 H ASP 3 HN ASP 3 -2.356 1.882 0.458 13 HA ASP 3 HA ASP 3 -3.671 3.987 -1.232 14 1HB ASP 3 HB2 ASP 3 -3.325 3.675 1.729 15 2HB ASP 3 HB1 ASP 3 -3.481 5.289 1.037 16 H CYS 4 HN CYS 4 -1.157 3.836 1.229 17 HA CYS 4 HA CYS 4 0.438 5.974 0.345 18 1HB CYS 4 HB2 CYS 4 1.341 3.326 1.526 19 2HB CYS 4 HB1 CYS 4 2.220 4.847 1.619 20 H ARG 5 HN ARG 5 2.484 3.267 0.027 21 HA ARG 5 HA ARG 5 2.111 2.976 -2.870 22 1HB ARG 5 HB2 ARG 5 4.228 4.608 -1.551 23 2HB ARG 5 HB1 ARG 5 4.729 3.625 -2.928 24 1HG ARG 5 HG2 ARG 5 2.553 4.658 -4.038 25 2HG ARG 5 HG1 ARG 5 2.810 5.925 -2.838 26 1HD ARG 5 HD2 ARG 5 5.197 6.113 -3.657 27 2HD ARG 5 HD1 ARG 5 4.758 5.016 -4.982 28 HE ARG 5 HE ARG 5 3.527 7.703 -4.528 29 1HH1 ARG 5 HH21 ARG 5 2.153 5.239 -5.983 30 2HH1 ARG 5 HH22 ARG 5 2.351 5.754 -7.625 31 1HH2 ARG 5 HH11 ARG 5 4.641 8.239 -6.851 32 2HH2 ARG 5 HH12 ARG 5 3.758 7.451 -8.116 33 H GLY 6 HN GLY 6 5.053 2.582 -1.031 34 1HA GLY 6 HA2 GLY 6 4.883 -0.375 -1.418 35 2HA GLY 6 HA1 GLY 6 6.373 0.534 -1.151 36 H ASP 7 HN ASP 7 3.674 1.482 0.794 37 HA ASP 7 HA ASP 7 4.799 -0.067 3.100 38 1HB ASP 7 HB2 ASP 7 4.001 2.828 2.793 39 2HB ASP 7 HB1 ASP 7 4.071 2.072 4.386 40 H CYS 8 HN CYS 8 1.953 1.755 1.974 41 HA CYS 8 HA CYS 8 0.191 0.156 3.737 42 1HB CYS 8 HB2 CYS 8 -0.300 2.391 1.741 43 2HB CYS 8 HB1 CYS 8 -1.525 1.725 2.817 44 H PHE 9 HN PHE 9 1.706 -1.072 1.524 45 HA PHE 9 HA PHE 9 0.279 -1.501 -0.843 46 1HB PHE 9 HB2 PHE 9 1.686 -3.533 -0.977 47 2HB PHE 9 HB1 PHE 9 2.609 -2.151 -0.390 48 HD1 PHE 9 HD1 PHE 9 0.732 -5.174 0.733 49 HD2 PHE 9 HD2 PHE 9 3.661 -2.198 1.733 50 HE1 PHE 9 HE1 PHE 9 1.303 -6.429 2.792 51 HE2 PHE 9 HE2 PHE 9 4.232 -3.453 3.794 52 HZ PHE 9 HZ PHE 9 3.053 -5.569 4.324 53 H CYS 10 HN CYS 10 -0.910 -3.510 -1.499 54 HA CYS 10 HA CYS 10 -2.480 -4.719 0.754 55 1HB CYS 10 HB2 CYS 10 -4.422 -4.624 -0.821 56 2HB CYS 10 HB1 CYS 10 -3.790 -3.028 -0.442 57 H GLY 11 HN GLY 11 -0.201 -5.441 -1.439 58 1HA GLY 11 HA2 GLY 11 -1.423 -8.075 -2.168 59 2HA GLY 11 HA1 GLY 11 -0.187 -7.270 -3.137 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 -4.368 -3.146 3.472 2 2H ALA 1 HT2 ALA 1 -2.955 -2.483 2.800 3 3H ALA 1 HT3 ALA 1 -3.885 -3.590 1.908 4 HA ALA 1 HA ALA 1 -5.673 -2.037 1.674 5 1HB ALA 1 HB1 ALA 1 -3.964 -0.456 3.619 6 2HB ALA 1 HB2 ALA 1 -5.536 -1.185 3.950 7 3HB ALA 1 HB3 ALA 1 -5.412 0.179 2.838 8 H CYS 2 HN CYS 2 -5.320 0.420 0.736 9 HA CYS 2 HA CYS 2 -2.742 0.566 -0.775 10 1HB CYS 2 HB2 CYS 2 -5.525 0.106 -1.757 11 2HB CYS 2 HB1 CYS 2 -4.531 1.224 -2.690 12 H ASP 3 HN ASP 3 -2.509 2.339 0.889 13 HA ASP 3 HA ASP 3 -3.945 4.796 -0.066 14 1HB ASP 3 HB2 ASP 3 -3.557 3.736 2.728 15 2HB ASP 3 HB1 ASP 3 -3.977 5.422 2.421 16 H CYS 4 HN CYS 4 -1.488 4.023 2.337 17 HA CYS 4 HA CYS 4 0.075 6.349 2.104 18 1HB CYS 4 HB2 CYS 4 1.058 3.514 2.562 19 2HB CYS 4 HB1 CYS 4 1.834 4.988 3.128 20 H ARG 5 HN ARG 5 2.233 3.883 1.136 21 HA ARG 5 HA ARG 5 1.889 4.378 -1.741 22 1HB ARG 5 HB2 ARG 5 3.959 5.635 0.001 23 2HB ARG 5 HB1 ARG 5 4.468 5.109 -1.604 24 1HG ARG 5 HG2 ARG 5 2.045 6.376 -2.091 25 2HG ARG 5 HG1 ARG 5 2.782 7.378 -0.841 26 1HD ARG 5 HD2 ARG 5 4.722 7.794 -2.166 27 2HD ARG 5 HD1 ARG 5 4.316 6.490 -3.300 28 HE ARG 5 HE ARG 5 2.868 9.087 -3.090 29 1HH1 ARG 5 HH11 ARG 5 4.382 7.894 -5.513 30 2HH1 ARG 5 HH12 ARG 5 3.047 7.422 -6.510 31 1HH2 ARG 5 HH21 ARG 5 0.711 7.665 -3.957 32 2HH2 ARG 5 HH22 ARG 5 0.968 7.292 -5.629 33 H GLY 6 HN GLY 6 4.758 3.548 0.090 34 1HA GLY 6 HA2 GLY 6 4.807 0.875 -1.237 35 2HA GLY 6 HA1 GLY 6 6.204 1.694 -0.535 36 H ASP 7 HN ASP 7 3.498 2.040 1.485 37 HA ASP 7 HA ASP 7 4.421 -0.275 3.148 38 1HB ASP 7 HB2 ASP 7 3.754 2.588 3.746 39 2HB ASP 7 HB1 ASP 7 3.527 1.377 5.009 40 H CYS 8 HN CYS 8 1.626 1.860 2.554 41 HA CYS 8 HA CYS 8 -0.209 -0.179 3.641 42 1HB CYS 8 HB2 CYS 8 -0.582 2.537 2.335 43 2HB CYS 8 HB1 CYS 8 -1.887 1.597 3.056 44 H PHE 9 HN PHE 9 1.228 -1.214 1.552 45 HA PHE 9 HA PHE 9 -0.110 -0.862 -1.006 46 1HB PHE 9 HB2 PHE 9 1.573 -2.440 -1.772 47 2HB PHE 9 HB1 PHE 9 2.330 -1.282 -0.684 48 HD1 PHE 9 HD1 PHE 9 1.192 -4.765 -1.084 49 HD2 PHE 9 HD2 PHE 9 3.123 -1.957 1.524 50 HE1 PHE 9 HE1 PHE 9 2.000 -6.636 0.327 51 HE2 PHE 9 HE2 PHE 9 3.929 -3.827 2.939 52 HZ PHE 9 HZ PHE 9 3.369 -6.167 2.340 53 H CYS 10 HN CYS 10 -1.010 -2.811 -2.194 54 HA CYS 10 HA CYS 10 -2.686 -4.439 -0.354 55 1HB CYS 10 HB2 CYS 10 -2.842 -3.684 -3.276 56 2HB CYS 10 HB1 CYS 10 -3.950 -4.838 -2.537 57 H GLY 11 HN GLY 11 -0.117 -4.681 -2.607 58 1HA GLY 11 HA2 GLY 11 0.633 -7.313 -1.953 59 2HA GLY 11 HA1 GLY 11 -0.411 -7.433 -3.372 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 -1.568 3.913 -2.008 2 2H ALA 1 HT2 ALA 1 -2.714 4.973 -1.337 3 3H ALA 1 HT3 ALA 1 -2.637 4.756 -3.020 4 HA ALA 1 HA ALA 1 -4.519 3.550 -1.938 5 1HB ALA 1 HB1 ALA 1 -4.094 2.661 -4.004 6 2HB ALA 1 HB2 ALA 1 -3.435 1.312 -3.078 7 3HB ALA 1 HB3 ALA 1 -2.358 2.560 -3.705 8 H CYS 2 HN CYS 2 -4.698 1.073 -1.188 9 HA CYS 2 HA CYS 2 -2.704 0.456 0.938 10 1HB CYS 2 HB2 CYS 2 -5.719 0.657 1.300 11 2HB CYS 2 HB1 CYS 2 -4.564 0.196 2.548 12 H ASP 3 HN ASP 3 -2.241 -1.258 -0.799 13 HA ASP 3 HA ASP 3 -4.217 -3.491 -0.472 14 1HB ASP 3 HB2 ASP 3 -2.976 -2.424 -3.008 15 2HB ASP 3 HB1 ASP 3 -3.870 -3.942 -2.925 16 H CYS 4 HN CYS 4 -1.148 -2.947 -2.111 17 HA CYS 4 HA CYS 4 -0.117 -5.574 -1.736 18 1HB CYS 4 HB2 CYS 4 1.425 -2.953 -1.863 19 2HB CYS 4 HB1 CYS 4 2.021 -4.544 -2.330 20 H ARG 5 HN ARG 5 2.188 -3.568 -0.253 21 HA ARG 5 HA ARG 5 1.155 -3.956 2.472 22 1HB ARG 5 HB2 ARG 5 3.440 -5.478 1.224 23 2HB ARG 5 HB1 ARG 5 3.395 -5.207 2.965 24 1HG ARG 5 HG2 ARG 5 0.969 -6.132 2.817 25 2HG ARG 5 HG1 ARG 5 1.476 -6.772 1.253 26 1HD ARG 5 HD2 ARG 5 2.955 -7.286 3.861 27 2HD ARG 5 HD1 ARG 5 1.819 -8.424 3.110 28 HE ARG 5 HE ARG 5 4.468 -7.659 2.022 29 1HH1 ARG 5 HH11 ARG 5 2.809 -10.368 2.469 30 2HH1 ARG 5 HH12 ARG 5 2.730 -10.887 0.818 31 1HH2 ARG 5 HH21 ARG 5 3.790 -7.845 -0.465 32 2HH2 ARG 5 HH22 ARG 5 3.286 -9.458 -0.844 33 H GLY 6 HN GLY 6 4.399 -3.657 1.176 34 1HA GLY 6 HA2 GLY 6 4.642 -0.972 2.479 35 2HA GLY 6 HA1 GLY 6 5.994 -2.086 2.252 36 H ASP 7 HN ASP 7 3.763 -1.968 -0.377 37 HA ASP 7 HA ASP 7 5.636 -0.175 -1.875 38 1HB ASP 7 HB2 ASP 7 4.294 -2.792 -2.535 39 2HB ASP 7 HB1 ASP 7 4.785 -1.704 -3.834 40 H CYS 8 HN CYS 8 2.337 -1.391 -1.611 41 HA CYS 8 HA CYS 8 1.310 0.953 -3.143 42 1HB CYS 8 HB2 CYS 8 0.008 -1.570 -2.053 43 2HB CYS 8 HB1 CYS 8 -0.798 -0.378 -3.073 44 H PHE 9 HN PHE 9 2.484 0.920 -0.373 45 HA PHE 9 HA PHE 9 0.815 1.024 1.769 46 1HB PHE 9 HB2 PHE 9 2.476 2.360 2.769 47 2HB PHE 9 HB1 PHE 9 3.324 1.498 1.493 48 HD1 PHE 9 HD1 PHE 9 2.442 3.077 -0.918 49 HD2 PHE 9 HD2 PHE 9 3.684 4.351 2.992 50 HE1 PHE 9 HE1 PHE 9 3.187 5.246 -1.856 51 HE2 PHE 9 HE2 PHE 9 4.422 6.515 2.050 52 HZ PHE 9 HZ PHE 9 4.177 6.964 -0.370 53 H CYS 10 HN CYS 10 -0.069 3.021 2.931 54 HA CYS 10 HA CYS 10 -1.909 4.406 1.088 55 1HB CYS 10 HB2 CYS 10 -1.681 4.465 4.108 56 2HB CYS 10 HB1 CYS 10 -3.090 4.919 3.154 57 H GLY 11 HN GLY 11 1.136 5.201 1.734 58 1HA GLY 11 HA2 GLY 11 1.984 7.448 1.255 59 2HA GLY 11 HA1 GLY 11 0.475 8.097 1.895 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 1.568 -2.442 -3.701 2 2H ALA 1 HT2 ALA 1 1.869 -4.038 -3.202 3 3H ALA 1 HT3 ALA 1 2.512 -3.468 -4.668 4 HA ALA 1 HA ALA 1 4.184 -3.577 -2.850 5 1HB ALA 1 HB1 ALA 1 3.766 -0.714 -3.572 6 2HB ALA 1 HB2 ALA 1 3.814 -1.871 -4.902 7 3HB ALA 1 HB3 ALA 1 5.187 -1.732 -3.805 8 H CYS 2 HN CYS 2 4.831 -1.155 -1.510 9 HA CYS 2 HA CYS 2 2.638 -0.793 0.502 10 1HB CYS 2 HB2 CYS 2 5.557 -1.403 1.093 11 2HB CYS 2 HB1 CYS 2 4.276 -1.192 2.284 12 H ASP 3 HN ASP 3 2.765 1.255 -1.082 13 HA ASP 3 HA ASP 3 4.530 3.230 0.295 14 1HB ASP 3 HB2 ASP 3 4.289 2.643 -2.655 15 2HB ASP 3 HB1 ASP 3 4.928 4.178 -2.065 16 H CYS 4 HN CYS 4 1.967 2.831 -2.069 17 HA CYS 4 HA CYS 4 0.845 5.449 -1.860 18 1HB CYS 4 HB2 CYS 4 -0.581 2.824 -2.404 19 2HB CYS 4 HB1 CYS 4 -1.077 4.418 -2.957 20 H ARG 5 HN ARG 5 -1.784 3.585 -1.093 21 HA ARG 5 HA ARG 5 -1.400 3.568 1.814 22 1HB ARG 5 HB2 ARG 5 -2.814 5.677 0.301 23 2HB ARG 5 HB1 ARG 5 -3.707 5.042 1.682 24 1HG ARG 5 HG2 ARG 5 -1.052 5.374 2.582 25 2HG ARG 5 HG1 ARG 5 -1.428 6.828 1.657 26 1HD ARG 5 HD2 ARG 5 -3.458 5.791 3.621 27 2HD ARG 5 HD1 ARG 5 -2.077 6.738 4.209 28 HE ARG 5 HE ARG 5 -4.110 7.714 2.256 29 1HH1 ARG 5 HH11 ARG 5 -3.040 8.624 5.143 30 2HH1 ARG 5 HH12 ARG 5 -2.358 10.149 4.686 31 1HH2 ARG 5 HH21 ARG 5 -2.512 9.500 1.283 32 2HH2 ARG 5 HH22 ARG 5 -2.059 10.645 2.501 33 H GLY 6 HN GLY 6 -4.373 3.933 0.001 34 1HA GLY 6 HA2 GLY 6 -5.352 1.331 1.011 35 2HA GLY 6 HA1 GLY 6 -6.317 2.555 0.183 36 H ASP 7 HN ASP 7 -3.250 1.686 -1.210 37 HA ASP 7 HA ASP 7 -4.574 -0.143 -3.150 38 1HB ASP 7 HB2 ASP 7 -2.989 2.377 -3.724 39 2HB ASP 7 HB1 ASP 7 -3.408 1.191 -4.961 40 H CYS 8 HN CYS 8 -1.386 1.435 -2.952 41 HA CYS 8 HA CYS 8 -0.048 -1.160 -3.311 42 1HB CYS 8 HB2 CYS 8 1.290 1.415 -2.492 43 2HB CYS 8 HB1 CYS 8 1.920 0.144 -3.527 44 H PHE 9 HN PHE 9 -1.636 -1.335 -1.132 45 HA PHE 9 HA PHE 9 -0.362 -0.500 1.333 46 1HB PHE 9 HB2 PHE 9 -2.245 -1.814 2.318 47 2HB PHE 9 HB1 PHE 9 -2.780 -0.666 1.094 48 HD1 PHE 9 HD1 PHE 9 -1.774 -4.252 1.523 49 HD2 PHE 9 HD2 PHE 9 -4.057 -1.401 -0.733 50 HE1 PHE 9 HE1 PHE 9 -2.815 -6.101 0.243 51 HE2 PHE 9 HE2 PHE 9 -5.096 -3.250 -2.017 52 HZ PHE 9 HZ PHE 9 -4.476 -5.600 -1.528 53 H CYS 10 HN CYS 10 0.278 -2.085 3.041 54 HA CYS 10 HA CYS 10 1.752 -4.391 1.861 55 1HB CYS 10 HB2 CYS 10 2.373 -2.329 3.669 56 2HB CYS 10 HB1 CYS 10 2.256 -3.781 4.661 57 H GLY 11 HN GLY 11 -1.172 -3.867 3.285 58 1HA GLY 11 HA2 GLY 11 -1.887 -6.520 3.714 59 2HA GLY 11 HA1 GLY 11 -1.232 -5.983 5.262 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 5.782 -3.028 -0.941 2 2H ALA 1 HT2 ALA 1 4.177 -2.546 -1.226 3 3H ALA 1 HT3 ALA 1 4.703 -2.870 0.357 4 HA ALA 1 HA ALA 1 6.256 -0.975 0.215 5 1HB ALA 1 HB1 ALA 1 5.291 0.417 -1.966 6 2HB ALA 1 HB2 ALA 1 5.261 -1.250 -2.541 7 3HB ALA 1 HB3 ALA 1 6.769 -0.545 -1.960 8 H CYS 2 HN CYS 2 5.140 1.468 -0.152 9 HA CYS 2 HA CYS 2 2.321 1.357 0.799 10 1HB CYS 2 HB2 CYS 2 4.783 2.311 2.220 11 2HB CYS 2 HB1 CYS 2 3.291 3.220 2.462 12 H ASP 3 HN ASP 3 1.988 2.182 -1.421 13 HA ASP 3 HA ASP 3 2.795 5.064 -1.670 14 1HB ASP 3 HB2 ASP 3 2.826 2.752 -3.558 15 2HB ASP 3 HB1 ASP 3 2.552 4.365 -4.219 16 H CYS 4 HN CYS 4 0.493 2.833 -3.160 17 HA CYS 4 HA CYS 4 -1.447 4.746 -3.915 18 1HB CYS 4 HB2 CYS 4 -1.813 1.882 -2.976 19 2HB CYS 4 HB1 CYS 4 -2.968 2.784 -3.950 20 H ARG 5 HN ARG 5 -3.016 2.642 -1.706 21 HA ARG 5 HA ARG 5 -2.845 4.501 0.567 22 1HB ARG 5 HB2 ARG 5 -5.131 4.297 -1.345 23 2HB ARG 5 HB1 ARG 5 -5.517 4.508 0.364 24 1HG ARG 5 HG2 ARG 5 -3.696 6.407 0.241 25 2HG ARG 5 HG1 ARG 5 -4.050 6.361 -1.486 26 1HD ARG 5 HD2 ARG 5 -6.539 6.531 -0.802 27 2HD ARG 5 HD1 ARG 5 -5.927 7.026 0.788 28 HE ARG 5 HE ARG 5 -5.345 8.469 -1.767 29 1HH1 ARG 5 HH11 ARG 5 -7.015 9.233 0.830 30 2HH1 ARG 5 HH12 ARG 5 -5.969 10.458 1.466 31 1HH2 ARG 5 HH21 ARG 5 -3.305 9.625 -0.591 32 2HH2 ARG 5 HH22 ARG 5 -3.868 10.680 0.662 33 H GLY 6 HN GLY 6 -5.378 2.307 -0.431 34 1HA GLY 6 HA2 GLY 6 -4.673 0.480 1.843 35 2HA GLY 6 HA1 GLY 6 -6.328 0.764 1.292 36 H ASP 7 HN ASP 7 -3.823 0.573 -1.107 37 HA ASP 7 HA ASP 7 -4.700 -2.204 -1.788 38 1HB ASP 7 HB2 ASP 7 -4.352 0.267 -3.496 39 2HB ASP 7 HB1 ASP 7 -4.433 -1.348 -4.198 40 H CYS 8 HN CYS 8 -2.175 0.258 -2.273 41 HA CYS 8 HA CYS 8 -0.210 -1.874 -2.897 42 1HB CYS 8 HB2 CYS 8 -0.019 1.154 -2.752 43 2HB CYS 8 HB1 CYS 8 1.260 0.092 -3.335 44 H PHE 9 HN PHE 9 -1.552 -1.417 -0.222 45 HA PHE 9 HA PHE 9 -0.043 -0.212 1.739 46 1HB PHE 9 HB2 PHE 9 -0.990 -2.022 3.220 47 2HB PHE 9 HB1 PHE 9 -2.175 -1.242 2.175 48 HD1 PHE 9 HD1 PHE 9 -3.433 -2.498 0.619 49 HD2 PHE 9 HD2 PHE 9 0.033 -4.242 2.454 50 HE1 PHE 9 HE1 PHE 9 -4.030 -4.701 -0.349 51 HE2 PHE 9 HE2 PHE 9 -0.561 -6.445 1.486 52 HZ PHE 9 HZ PHE 9 -2.593 -6.675 0.083 53 H CYS 10 HN CYS 10 1.300 -1.465 3.477 54 HA CYS 10 HA CYS 10 3.546 -2.772 2.075 55 1HB CYS 10 HB2 CYS 10 3.049 -1.549 4.781 56 2HB CYS 10 HB1 CYS 10 4.501 -2.503 4.483 57 H GLY 11 HN GLY 11 0.949 -3.559 4.194 58 1HA GLY 11 HA2 GLY 11 0.257 -5.593 5.149 59 2HA GLY 11 HA1 GLY 11 1.191 -6.368 3.870 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 -3.572 4.376 -3.487 2 2H ALA 1 HT2 ALA 1 -2.207 3.698 -2.736 3 3H ALA 1 HT3 ALA 1 -3.263 4.692 -1.850 4 HA ALA 1 HA ALA 1 -5.009 3.070 -1.951 5 1HB ALA 1 HB1 ALA 1 -3.062 1.448 -3.612 6 2HB ALA 1 HB2 ALA 1 -4.276 2.505 -4.332 7 3HB ALA 1 HB3 ALA 1 -4.776 1.128 -3.350 8 H CYS 2 HN CYS 2 -4.871 0.817 -0.857 9 HA CYS 2 HA CYS 2 -2.337 0.390 0.659 10 1HB CYS 2 HB2 CYS 2 -4.574 1.769 1.630 11 2HB CYS 2 HB1 CYS 2 -4.768 0.140 2.276 12 H ASP 3 HN ASP 3 -2.272 -1.494 -0.823 13 HA ASP 3 HA ASP 3 -4.142 -3.655 0.090 14 1HB ASP 3 HB2 ASP 3 -3.285 -2.818 -2.671 15 2HB ASP 3 HB1 ASP 3 -3.935 -4.428 -2.361 16 H CYS 4 HN CYS 4 -1.306 -3.372 -1.988 17 HA CYS 4 HA CYS 4 -0.180 -5.904 -1.478 18 1HB CYS 4 HB2 CYS 4 1.294 -3.285 -1.900 19 2HB CYS 4 HB1 CYS 4 1.890 -4.890 -2.303 20 H ARG 5 HN ARG 5 2.193 -3.741 -0.339 21 HA ARG 5 HA ARG 5 1.453 -3.999 2.490 22 1HB ARG 5 HB2 ARG 5 3.584 -5.592 1.089 23 2HB ARG 5 HB1 ARG 5 3.808 -5.154 2.783 24 1HG ARG 5 HG2 ARG 5 1.370 -6.078 3.068 25 2HG ARG 5 HG1 ARG 5 1.704 -6.910 1.548 26 1HD ARG 5 HD2 ARG 5 3.742 -7.912 2.550 27 2HD ARG 5 HD1 ARG 5 3.361 -7.112 4.087 28 HE ARG 5 HE ARG 5 1.326 -8.473 4.231 29 1HH1 ARG 5 HH21 ARG 5 3.300 -10.624 4.015 30 2HH1 ARG 5 HH22 ARG 5 2.728 -11.564 2.677 31 1HH2 ARG 5 HH11 ARG 5 0.649 -9.066 1.467 32 2HH2 ARG 5 HH12 ARG 5 1.228 -10.682 1.235 33 H GLY 6 HN GLY 6 4.688 -3.772 1.191 34 1HA GLY 6 HA2 GLY 6 4.898 -0.996 2.253 35 2HA GLY 6 HA1 GLY 6 6.258 -2.059 1.882 36 H ASP 7 HN ASP 7 3.753 -2.082 -0.476 37 HA ASP 7 HA ASP 7 5.351 -0.228 -2.211 38 1HB ASP 7 HB2 ASP 7 3.925 -2.831 -2.836 39 2HB ASP 7 HB1 ASP 7 4.644 -1.787 -4.062 40 H CYS 8 HN CYS 8 2.148 -1.759 -1.897 41 HA CYS 8 HA CYS 8 0.876 0.516 -3.289 42 1HB CYS 8 HB2 CYS 8 -0.197 -2.017 -2.002 43 2HB CYS 8 HB1 CYS 8 -1.148 -0.912 -2.991 44 H PHE 9 HN PHE 9 2.249 0.930 -0.737 45 HA PHE 9 HA PHE 9 0.615 0.989 1.539 46 1HB PHE 9 HB2 PHE 9 2.248 2.687 2.309 47 2HB PHE 9 HB1 PHE 9 3.053 1.359 1.474 48 HD1 PHE 9 HD1 PHE 9 4.311 1.736 -0.509 49 HD2 PHE 9 HD2 PHE 9 1.769 4.832 1.038 50 HE1 PHE 9 HE1 PHE 9 5.281 3.341 -2.130 51 HE2 PHE 9 HE2 PHE 9 2.738 6.437 -0.584 52 HZ PHE 9 HZ PHE 9 4.493 5.692 -2.169 53 H CYS 10 HN CYS 10 -0.400 2.933 2.567 54 HA CYS 10 HA CYS 10 -1.441 4.911 0.565 55 1HB CYS 10 HB2 CYS 10 -3.610 4.733 1.778 56 2HB CYS 10 HB1 CYS 10 -3.120 3.193 1.083 57 H GLY 11 HN GLY 11 0.581 4.713 3.062 58 1HA GLY 11 HA2 GLY 11 1.171 7.102 3.872 59 2HA GLY 11 HA1 GLY 11 -0.481 7.112 4.492 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 5.205 4.160 2.311 2 2H ALA 1 HT2 ALA 1 3.630 3.595 2.017 3 3H ALA 1 HT3 ALA 1 4.540 4.278 0.756 4 HA ALA 1 HA ALA 1 6.076 2.444 0.772 5 1HB ALA 1 HB1 ALA 1 4.363 1.417 3.053 6 2HB ALA 1 HB2 ALA 1 5.868 2.305 3.296 7 3HB ALA 1 HB3 ALA 1 5.887 0.741 2.479 8 H CYS 2 HN CYS 2 5.385 0.061 0.221 9 HA CYS 2 HA CYS 2 2.577 -0.111 -0.752 10 1HB CYS 2 HB2 CYS 2 5.152 -0.053 -2.292 11 2HB CYS 2 HB1 CYS 2 3.860 -1.101 -2.878 12 H ASP 3 HN ASP 3 2.472 -1.664 1.059 13 HA ASP 3 HA ASP 3 3.968 -4.199 0.475 14 1HB ASP 3 HB2 ASP 3 3.232 -2.766 3.003 15 2HB ASP 3 HB1 ASP 3 3.578 -4.497 3.030 16 H CYS 4 HN CYS 4 1.119 -3.190 2.291 17 HA CYS 4 HA CYS 4 -0.256 -5.666 2.198 18 1HB CYS 4 HB2 CYS 4 -1.392 -2.844 2.186 19 2HB CYS 4 HB1 CYS 4 -2.230 -4.289 2.747 20 H ARG 5 HN ARG 5 -2.263 -3.372 0.608 21 HA ARG 5 HA ARG 5 -1.552 -4.305 -2.096 22 1HB ARG 5 HB2 ARG 5 -3.771 -5.340 -0.438 23 2HB ARG 5 HB1 ARG 5 -4.222 -4.905 -2.086 24 1HG ARG 5 HG2 ARG 5 -1.945 -6.237 -2.613 25 2HG ARG 5 HG1 ARG 5 -2.407 -7.057 -1.122 26 1HD ARG 5 HD2 ARG 5 -4.689 -7.452 -2.109 27 2HD ARG 5 HD1 ARG 5 -4.084 -6.791 -3.642 28 HE ARG 5 HE ARG 5 -3.034 -9.261 -2.322 29 1HH1 ARG 5 HH21 ARG 5 -1.199 -7.538 -4.140 30 2HH1 ARG 5 HH22 ARG 5 -1.340 -8.411 -5.629 31 1HH2 ARG 5 HH11 ARG 5 -4.116 -10.221 -4.617 32 2HH2 ARG 5 HH12 ARG 5 -2.989 -9.927 -5.899 33 H GLY 6 HN GLY 6 -4.544 -3.145 -0.708 34 1HA GLY 6 HA2 GLY 6 -4.234 -0.584 -2.237 35 2HA GLY 6 HA1 GLY 6 -5.792 -1.390 -2.021 36 H ASP 7 HN ASP 7 -3.542 -1.457 0.628 37 HA ASP 7 HA ASP 7 -5.127 0.667 2.013 38 1HB ASP 7 HB2 ASP 7 -4.264 -2.098 2.842 39 2HB ASP 7 HB1 ASP 7 -4.634 -0.877 4.060 40 H CYS 8 HN CYS 8 -2.065 -1.101 1.877 41 HA CYS 8 HA CYS 8 -0.729 1.045 3.436 42 1HB CYS 8 HB2 CYS 8 0.176 -1.622 2.315 43 2HB CYS 8 HB1 CYS 8 1.181 -0.570 3.312 44 H PHE 9 HN PHE 9 -1.825 1.195 0.602 45 HA PHE 9 HA PHE 9 -0.059 1.150 -1.469 46 1HB PHE 9 HB2 PHE 9 -1.359 3.140 -2.317 47 2HB PHE 9 HB1 PHE 9 -2.357 1.820 -1.716 48 HD1 PHE 9 HD1 PHE 9 -3.987 2.234 -0.078 49 HD2 PHE 9 HD2 PHE 9 -0.774 5.036 -0.610 50 HE1 PHE 9 HE1 PHE 9 -5.080 3.793 1.511 51 HE2 PHE 9 HE2 PHE 9 -1.867 6.591 0.983 52 HZ PHE 9 HZ PHE 9 -4.021 5.970 2.041 53 H CYS 10 HN CYS 10 1.047 3.129 -2.534 54 HA CYS 10 HA CYS 10 2.939 4.265 -0.580 55 1HB CYS 10 HB2 CYS 10 2.707 4.055 -3.575 56 2HB CYS 10 HB1 CYS 10 3.926 5.098 -2.845 57 H GLY 11 HN GLY 11 0.258 5.238 -2.508 58 1HA GLY 11 HA2 GLY 11 -0.563 7.503 -1.302 59 2HA GLY 11 HA1 GLY 11 0.830 8.114 -2.199 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 5.079 -0.627 -1.577 2 2H ALA 1 HT2 ALA 1 5.894 -1.199 -0.201 3 3H ALA 1 HT3 ALA 1 6.744 -0.354 -1.405 4 HA ALA 1 HA ALA 1 6.373 1.117 0.460 5 1HB ALA 1 HB1 ALA 1 6.414 2.223 -1.611 6 2HB ALA 1 HB2 ALA 1 4.864 2.743 -0.951 7 3HB ALA 1 HB3 ALA 1 4.921 1.456 -2.155 8 H CYS 2 HN CYS 2 4.503 2.541 1.399 9 HA CYS 2 HA CYS 2 1.969 1.016 1.739 10 1HB CYS 2 HB2 CYS 2 4.089 1.654 3.751 11 2HB CYS 2 HB1 CYS 2 2.411 1.788 4.278 12 H ASP 3 HN ASP 3 1.203 2.819 0.368 13 HA ASP 3 HA ASP 3 0.974 5.374 1.927 14 1HB ASP 3 HB2 ASP 3 1.453 4.838 -1.000 15 2HB ASP 3 HB1 ASP 3 0.950 6.421 -0.406 16 H CYS 4 HN CYS 4 -0.514 3.854 -0.896 17 HA CYS 4 HA CYS 4 -3.036 5.121 -0.713 18 1HB CYS 4 HB2 CYS 4 -2.336 2.317 -1.643 19 2HB CYS 4 HB1 CYS 4 -3.786 3.206 -2.101 20 H ARG 5 HN ARG 5 -3.658 1.767 -0.368 21 HA ARG 5 HA ARG 5 -3.971 1.870 2.554 22 1HB ARG 5 HB2 ARG 5 -6.121 2.350 0.603 23 2HB ARG 5 HB1 ARG 5 -6.509 1.094 1.778 24 1HG ARG 5 HG2 ARG 5 -5.241 3.514 2.914 25 2HG ARG 5 HG1 ARG 5 -6.854 3.760 2.243 26 1HD ARG 5 HD2 ARG 5 -6.242 1.480 4.143 27 2HD ARG 5 HD1 ARG 5 -6.793 3.070 4.708 28 HE ARG 5 HE ARG 5 -8.370 1.203 3.018 29 1HH1 ARG 5 HH11 ARG 5 -9.220 2.408 5.694 30 2HH1 ARG 5 HH12 ARG 5 -10.353 3.610 5.171 31 1HH2 ARG 5 HH21 ARG 5 -9.299 3.545 1.867 32 2HH2 ARG 5 HH22 ARG 5 -10.397 4.254 3.002 33 H GLY 6 HN GLY 6 -5.680 0.026 0.121 34 1HA GLY 6 HA2 GLY 6 -4.241 -2.452 1.010 35 2HA GLY 6 HA1 GLY 6 -5.924 -2.434 0.470 36 H ASP 7 HN ASP 7 -3.697 -0.359 -1.196 37 HA ASP 7 HA ASP 7 -3.611 -2.305 -3.472 38 1HB ASP 7 HB2 ASP 7 -4.426 0.564 -3.255 39 2HB ASP 7 HB1 ASP 7 -3.643 0.043 -4.749 40 H CYS 8 HN CYS 8 -2.080 0.580 -2.052 41 HA CYS 8 HA CYS 8 0.444 -0.055 -3.480 42 1HB CYS 8 HB2 CYS 8 -0.379 2.188 -1.603 43 2HB CYS 8 HB1 CYS 8 1.139 2.126 -2.493 44 H PHE 9 HN PHE 9 -0.832 -1.663 -1.252 45 HA PHE 9 HA PHE 9 0.290 -1.465 1.239 46 1HB PHE 9 HB2 PHE 9 0.015 -3.934 1.330 47 2HB PHE 9 HB1 PHE 9 -1.363 -3.130 0.587 48 HD1 PHE 9 HD1 PHE 9 1.398 -5.452 0.094 49 HD2 PHE 9 HD2 PHE 9 -1.642 -3.173 -1.908 50 HE1 PHE 9 HE1 PHE 9 1.671 -6.860 -1.930 51 HE2 PHE 9 HE2 PHE 9 -1.361 -4.574 -3.930 52 HZ PHE 9 HZ PHE 9 0.293 -6.418 -3.942 53 H CYS 10 HN CYS 10 2.047 -3.060 2.136 54 HA CYS 10 HA CYS 10 4.551 -2.506 0.648 55 1HB CYS 10 HB2 CYS 10 3.748 -3.270 3.450 56 2HB CYS 10 HB1 CYS 10 5.427 -3.438 2.939 57 H GLY 11 HN GLY 11 3.096 -4.475 -0.631 58 1HA GLY 11 HA2 GLY 11 3.597 -6.581 -1.597 59 2HA GLY 11 HA1 GLY 11 4.911 -6.762 -0.434 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 -5.549 -3.840 2.868 2 2H ALA 1 HT2 ALA 1 -3.939 -3.451 2.493 3 3H ALA 1 HT3 ALA 1 -5.044 -3.795 1.250 4 HA ALA 1 HA ALA 1 -6.285 -1.799 1.705 5 1HB ALA 1 HB1 ALA 1 -5.529 -0.379 3.593 6 2HB ALA 1 HB2 ALA 1 -4.276 -1.561 3.970 7 3HB ALA 1 HB3 ALA 1 -5.977 -1.993 4.147 8 H CYS 2 HN CYS 2 -5.227 0.557 1.557 9 HA CYS 2 HA CYS 2 -2.568 0.480 0.228 10 1HB CYS 2 HB2 CYS 2 -5.263 1.149 -0.916 11 2HB CYS 2 HB1 CYS 2 -3.869 2.070 -1.481 12 H ASP 3 HN ASP 3 -1.965 1.592 2.241 13 HA ASP 3 HA ASP 3 -3.080 4.373 2.430 14 1HB ASP 3 HB2 ASP 3 -2.010 2.440 4.485 15 2HB ASP 3 HB1 ASP 3 -2.349 4.132 4.852 16 H CYS 4 HN CYS 4 -0.148 2.664 3.398 17 HA CYS 4 HA CYS 4 1.565 4.911 3.503 18 1HB CYS 4 HB2 CYS 4 2.222 2.058 2.687 19 2HB CYS 4 HB1 CYS 4 3.354 3.228 3.356 20 H ARG 5 HN ARG 5 2.815 2.785 1.087 21 HA ARG 5 HA ARG 5 1.828 4.414 -1.154 22 1HB ARG 5 HB2 ARG 5 4.513 4.666 0.113 23 2HB ARG 5 HB1 ARG 5 4.464 4.709 -1.650 24 1HG ARG 5 HG2 ARG 5 2.500 6.412 -1.282 25 2HG ARG 5 HG1 ARG 5 3.213 6.601 0.321 26 1HD ARG 5 HD2 ARG 5 5.467 6.902 -0.986 27 2HD ARG 5 HD1 ARG 5 4.408 7.269 -2.363 28 HE ARG 5 HE ARG 5 4.390 8.767 0.227 29 1HH1 ARG 5 HH21 ARG 5 2.162 8.367 -2.112 30 2HH1 ARG 5 HH22 ARG 5 2.193 9.983 -2.733 31 1HH2 ARG 5 HH11 ARG 5 5.057 10.881 -0.997 32 2HH2 ARG 5 HH12 ARG 5 3.831 11.406 -2.103 33 H GLY 6 HN GLY 6 4.769 2.573 -0.702 34 1HA GLY 6 HA2 GLY 6 3.742 0.497 -2.609 35 2HA GLY 6 HA1 GLY 6 5.429 1.024 -2.576 36 H ASP 7 HN ASP 7 3.759 0.780 0.457 37 HA ASP 7 HA ASP 7 5.167 -1.797 0.995 38 1HB ASP 7 HB2 ASP 7 4.937 0.758 2.590 39 2HB ASP 7 HB1 ASP 7 5.384 -0.765 3.362 40 H CYS 8 HN CYS 8 2.499 0.333 1.910 41 HA CYS 8 HA CYS 8 1.090 -1.915 3.252 42 1HB CYS 8 HB2 CYS 8 0.520 1.046 2.875 43 2HB CYS 8 HB1 CYS 8 -0.484 -0.039 3.834 44 H PHE 9 HN PHE 9 1.631 -1.558 0.259 45 HA PHE 9 HA PHE 9 -0.505 -0.794 -1.274 46 1HB PHE 9 HB2 PHE 9 0.450 -2.151 -2.967 47 2HB PHE 9 HB1 PHE 9 1.782 -1.688 -1.918 48 HD1 PHE 9 HD1 PHE 9 1.085 -4.204 -3.859 49 HD2 PHE 9 HD2 PHE 9 1.399 -3.579 0.379 50 HE1 PHE 9 HE1 PHE 9 1.641 -6.593 -3.546 51 HE2 PHE 9 HE2 PHE 9 1.949 -5.976 0.685 52 HZ PHE 9 HZ PHE 9 2.069 -7.480 -1.279 53 H CYS 10 HN CYS 10 -1.993 -2.412 -2.560 54 HA CYS 10 HA CYS 10 -3.660 -3.785 -0.542 55 1HB CYS 10 HB2 CYS 10 -3.948 -2.913 -3.420 56 2HB CYS 10 HB1 CYS 10 -5.183 -3.888 -2.627 57 H GLY 11 HN GLY 11 -1.049 -4.993 -1.791 58 1HA GLY 11 HA2 GLY 11 -0.497 -7.306 -2.093 59 2HA GLY 11 HA1 GLY 11 -2.223 -7.661 -2.169
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