NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627767 | 5olf | 34166 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1HD 9XQ 1 1HD GBA 1 5.109 -6.628 -1.838 2 HZ 9XQ 1 HZ GBA 1 4.137 -10.382 0.077 3 2HE 9XQ 1 2HE GBA 1 1.980 -10.375 -1.018 4 2HD 9XQ 1 2HD GBA 1 1.360 -8.583 -2.549 5 2HH1 9XQ 1 2HH1 GBA 1 5.405 -10.373 1.277 6 1HH1 9XQ 1 1HH1 GBA 1 7.047 -10.591 2.042 7 1HH2 9XQ 1 1HH2 GBA 1 8.585 -8.105 0.338 8 3HE 9XQ 1 3HE GBA 1 6.725 -7.693 -0.576 9 2HH2 9XQ 1 2HH2 GBA 1 8.595 -9.439 1.566 10 H ALA 2 H ALA 2 3.971 -5.020 -2.512 11 HA ALA 2 HA ALA 2 3.379 -3.150 -3.726 12 HB1 ALA 2 HB1 ALA 2 2.870 -3.264 -6.125 13 HB2 ALA 2 HB2 ALA 2 4.167 -4.410 -5.714 14 HB3 ALA 2 HB3 ALA 2 2.513 -5.000 -6.000 15 H CYS 3 H CYS 3 1.821 -1.787 -3.364 16 HA CYS 3 HA CYS 3 -1.137 -2.641 -3.334 17 HB2 CYS 3 HB3 CYS 3 -0.026 -0.764 -1.160 18 HB3 CYS 3 HB2 CYS 3 -1.618 -1.521 -1.255 19 H ARG 4 H ARG 4 0.790 0.319 -2.977 20 HA ARG 4 HA ARG 4 -0.644 1.484 -5.442 21 HB2 ARG 4 HB3 ARG 4 -0.003 2.771 -2.718 22 HB3 ARG 4 HB2 ARG 4 0.028 3.780 -4.120 23 HG2 ARG 4 HG3 ARG 4 -2.452 2.058 -4.141 24 HG3 ARG 4 HG2 ARG 4 -2.293 2.919 -2.645 25 HD2 ARG 4 HD3 ARG 4 -3.637 4.227 -4.241 26 HD3 ARG 4 HD2 ARG 4 -2.162 5.113 -3.799 27 HE ARG 4 HE ARG 4 -1.594 3.548 -6.227 28 HH11 ARG 4 HH11 ARG 4 -2.034 6.078 -8.414 29 HH12 ARG 4 HH12 ARG 4 -1.319 4.444 -8.035 30 HH21 ARG 4 HH21 ARG 4 -3.170 7.132 -6.942 31 HH22 ARG 4 HH22 ARG 4 -3.417 6.338 -5.311 32 H PHE 5 H PHE 5 2.514 1.334 -3.877 33 HA PHE 5 HA PHE 5 3.825 2.008 -6.521 34 HB2 PHE 5 HB3 PHE 5 4.720 3.635 -4.051 35 HB3 PHE 5 HB2 PHE 5 5.304 3.768 -5.676 36 HD1 PHE 5 HD1 PHE 5 2.896 4.986 -3.275 37 HD2 PHE 5 HD2 PHE 5 3.631 4.690 -7.500 38 HE1 PHE 5 HE1 PHE 5 1.256 6.772 -3.688 39 HE2 PHE 5 HE2 PHE 5 1.992 6.483 -7.903 40 HZ PHE 5 HZ PHE 5 0.797 7.527 -5.999 41 H PHE 6 H PHE 6 5.140 1.948 -3.259 42 HA PHE 6 HA PHE 6 6.590 -0.683 -3.779 43 HB2 PHE 6 HB3 PHE 6 8.071 0.231 -1.782 44 HB3 PHE 6 HB2 PHE 6 8.292 0.747 -3.412 45 HD1 PHE 6 HD1 PHE 6 8.128 3.056 -4.050 46 HD2 PHE 6 HD2 PHE 6 6.818 1.888 -0.120 47 HE1 PHE 6 HE1 PHE 6 7.893 5.421 -3.423 48 HE2 PHE 6 HE2 PHE 6 6.587 4.271 0.491 49 HZ PHE 6 HZ PHE 6 7.118 6.034 -1.159 50 H CYS 7 H CYS 7 4.372 0.696 -1.430 51 HA CYS 7 HA CYS 7 3.362 -0.166 0.530 52 HB2 CYS 7 HB3 CYS 7 2.384 -1.378 -1.423 53 HB3 CYS 7 HB2 CYS 7 3.375 -2.798 -1.060 Start of MODEL 2 1 1HD 9XQ 1 1HD GBA 1 6.558 -6.636 -2.480 2 HZ 9XQ 1 HZ GBA 1 5.271 -9.783 0.185 3 2HE 9XQ 1 2HE GBA 1 2.964 -9.224 -0.271 4 2HD 9XQ 1 2HD GBA 1 2.392 -7.398 -1.773 5 2HH1 9XQ 1 2HH1 GBA 1 6.798 -10.334 0.720 6 1HH1 9XQ 1 1HH1 GBA 1 8.500 -10.748 1.230 7 1HH2 9XQ 1 1HH2 GBA 1 10.082 -9.794 0.509 8 3HE 9XQ 1 3HE GBA 1 8.136 -7.855 -1.395 9 2HH2 9XQ 1 2HH2 GBA 1 10.045 -8.442 -0.699 10 H ALA 2 H ALA 2 2.209 -5.740 -2.732 11 HA ALA 2 HA ALA 2 3.207 -3.217 -3.851 12 HB1 ALA 2 HB1 ALA 2 2.269 -3.473 -6.195 13 HB2 ALA 2 HB2 ALA 2 3.617 -4.589 -5.899 14 HB3 ALA 2 HB3 ALA 2 1.942 -5.196 -5.877 15 H CYS 3 H CYS 3 1.702 -1.783 -3.406 16 HA CYS 3 HA CYS 3 -1.289 -2.486 -3.276 17 HB2 CYS 3 HB3 CYS 3 -0.014 -0.649 -1.151 18 HB3 CYS 3 HB2 CYS 3 -1.660 -1.283 -1.200 19 H ARG 4 H ARG 4 0.773 0.394 -2.966 20 HA ARG 4 HA ARG 4 -0.626 1.599 -5.434 21 HB2 ARG 4 HB3 ARG 4 0.091 2.884 -2.729 22 HB3 ARG 4 HB2 ARG 4 0.175 3.877 -4.140 23 HG2 ARG 4 HG3 ARG 4 -2.395 2.297 -4.150 24 HG3 ARG 4 HG2 ARG 4 -2.187 3.148 -2.656 25 HD2 ARG 4 HD3 ARG 4 -3.462 4.524 -4.248 26 HD3 ARG 4 HD2 ARG 4 -1.942 5.333 -3.809 27 HE ARG 4 HE ARG 4 -1.419 3.766 -6.228 28 HH11 ARG 4 HH11 ARG 4 -1.861 6.268 -8.445 29 HH12 ARG 4 HH12 ARG 4 -1.150 4.637 -8.048 30 HH21 ARG 4 HH21 ARG 4 -2.991 7.344 -6.985 31 HH22 ARG 4 HH22 ARG 4 -3.234 6.573 -5.343 32 H PHE 5 H PHE 5 2.536 1.299 -3.908 33 HA PHE 5 HA PHE 5 3.851 1.923 -6.557 34 HB2 PHE 5 HB3 PHE 5 4.840 3.509 -4.093 35 HB3 PHE 5 HB2 PHE 5 5.436 3.599 -5.718 36 HD1 PHE 5 HD1 PHE 5 3.092 4.965 -3.336 37 HD2 PHE 5 HD2 PHE 5 3.820 4.588 -7.556 38 HE1 PHE 5 HE1 PHE 5 1.549 6.831 -3.771 39 HE2 PHE 5 HE2 PHE 5 2.279 6.461 -7.982 40 HZ PHE 5 HZ PHE 5 1.137 7.586 -6.091 41 H PHE 6 H PHE 6 5.177 1.801 -3.302 42 HA PHE 6 HA PHE 6 6.502 -0.894 -3.835 43 HB2 PHE 6 HB3 PHE 6 8.000 -0.060 -1.801 44 HB3 PHE 6 HB2 PHE 6 8.284 0.414 -3.432 45 HD1 PHE 6 HD1 PHE 6 6.866 1.702 -0.176 46 HD2 PHE 6 HD2 PHE 6 8.243 2.719 -4.123 47 HE1 PHE 6 HE1 PHE 6 6.788 4.105 0.398 48 HE2 PHE 6 HE2 PHE 6 8.157 5.105 -3.534 49 HZ PHE 6 HZ PHE 6 7.425 5.802 -1.281 50 H CYS 7 H CYS 7 4.397 0.602 -1.433 51 HA CYS 7 HA CYS 7 3.339 -0.230 0.509 52 HB2 CYS 7 HB3 CYS 7 2.347 -1.464 -1.446 53 HB3 CYS 7 HB2 CYS 7 3.274 -2.903 -1.005 Start of MODEL 3 1 1HD 9XQ 1 1HD GBA 1 2.331 -7.725 -2.752 2 HZ 9XQ 1 HZ GBA 1 5.115 -10.650 -1.251 3 2HE 9XQ 1 2HE GBA 1 6.919 -9.042 -1.472 4 2HD 9XQ 1 2HD GBA 1 6.501 -6.801 -2.364 5 2HH1 9XQ 1 2HH1 GBA 1 2.939 -13.430 -1.691 6 1HH1 9XQ 1 1HH1 GBA 1 4.170 -12.083 -1.659 7 1HH2 9XQ 1 1HH2 GBA 1 0.241 -11.465 -2.227 8 3HE 9XQ 1 3HE GBA 1 1.559 -9.816 -2.273 9 2HH2 9XQ 1 2HH2 GBA 1 1.007 -13.089 -1.986 10 H ALA 2 H ALA 2 2.246 -5.666 -2.656 11 HA ALA 2 HA ALA 2 3.217 -3.193 -3.819 12 HB1 ALA 2 HB1 ALA 2 2.266 -3.426 -6.172 13 HB2 ALA 2 HB2 ALA 2 3.611 -4.548 -5.890 14 HB3 ALA 2 HB3 ALA 2 1.935 -5.150 -5.866 15 H CYS 3 H CYS 3 1.687 -1.766 -3.400 16 HA CYS 3 HA CYS 3 -1.293 -2.487 -3.296 17 HB2 CYS 3 HB3 CYS 3 -0.105 -0.640 -1.134 18 HB3 CYS 3 HB2 CYS 3 -1.727 -1.327 -1.220 19 H ARG 4 H ARG 4 0.795 0.388 -2.996 20 HA ARG 4 HA ARG 4 -0.645 1.603 -5.444 21 HB2 ARG 4 HB3 ARG 4 0.360 3.080 -2.927 22 HB3 ARG 4 HB2 ARG 4 -0.036 3.881 -4.417 23 HG2 ARG 4 HG3 ARG 4 -2.332 2.170 -3.820 24 HG3 ARG 4 HG2 ARG 4 -1.890 2.885 -2.303 25 HD2 ARG 4 HD3 ARG 4 -2.408 4.413 -4.949 26 HD3 ARG 4 HD2 ARG 4 -3.624 4.176 -3.686 27 HE ARG 4 HE ARG 4 -1.589 5.374 -2.179 28 HH11 ARG 4 HH11 ARG 4 -1.669 8.639 -3.053 29 HH12 ARG 4 HH12 ARG 4 -1.222 7.360 -1.835 30 HH21 ARG 4 HH21 ARG 4 -2.624 8.117 -4.880 31 HH22 ARG 4 HH22 ARG 4 -2.989 6.353 -5.196 32 H PHE 5 H PHE 5 2.537 1.284 -3.906 33 HA PHE 5 HA PHE 5 3.857 1.906 -6.549 34 HB2 PHE 5 HB3 PHE 5 4.940 3.477 -4.128 35 HB3 PHE 5 HB2 PHE 5 5.398 3.605 -5.791 36 HD1 PHE 5 HD1 PHE 5 3.614 4.627 -7.463 37 HD2 PHE 5 HD2 PHE 5 3.281 4.917 -3.189 38 HE1 PHE 5 HE1 PHE 5 2.063 6.522 -7.707 39 HE2 PHE 5 HE2 PHE 5 1.733 6.814 -3.441 40 HZ PHE 5 HZ PHE 5 1.119 7.622 -5.704 41 H PHE 6 H PHE 6 5.195 1.795 -3.303 42 HA PHE 6 HA PHE 6 6.483 -0.926 -3.807 43 HB2 PHE 6 HB3 PHE 6 8.062 -0.060 -1.864 44 HB3 PHE 6 HB2 PHE 6 8.277 0.415 -3.505 45 HD1 PHE 6 HD1 PHE 6 8.249 2.716 -4.172 46 HD2 PHE 6 HD2 PHE 6 6.919 1.697 -0.211 47 HE1 PHE 6 HE1 PHE 6 8.169 5.100 -3.583 48 HE2 PHE 6 HE2 PHE 6 6.849 4.100 0.367 49 HZ PHE 6 HZ PHE 6 7.467 5.799 -1.321 50 H CYS 7 H CYS 7 4.310 0.572 -1.524 51 HA CYS 7 HA CYS 7 3.366 -0.189 0.548 52 HB2 CYS 7 HB3 CYS 7 2.253 -1.308 -1.410 53 HB3 CYS 7 HB2 CYS 7 3.171 -2.788 -1.087 Start of MODEL 4 1 1HD 9XQ 1 1HD GBA 1 4.005 -7.874 -3.566 2 HZ 9XQ 1 HZ GBA 1 4.331 -10.252 0.023 3 2HE 9XQ 1 2HE GBA 1 3.310 -8.465 1.297 4 2HD 9XQ 1 2HD GBA 1 2.621 -6.397 0.219 5 2HH1 9XQ 1 2HH1 GBA 1 5.654 -11.299 -0.561 6 1HH1 9XQ 1 1HH1 GBA 1 6.379 -12.756 -1.387 7 1HH2 9XQ 1 1HH2 GBA 1 6.348 -12.971 -3.366 8 3HE 9XQ 1 3HE GBA 1 4.803 -10.036 -3.724 9 2HH2 9XQ 1 2HH2 GBA 1 5.594 -11.817 -4.543 10 H ALA 2 H ALA 2 3.686 -6.014 -4.162 11 HA ALA 2 HA ALA 2 3.362 -3.276 -3.884 12 HB1 ALA 2 HB1 ALA 2 2.887 -3.249 -6.339 13 HB2 ALA 2 HB2 ALA 2 4.149 -4.430 -5.952 14 HB3 ALA 2 HB3 ALA 2 2.480 -4.974 -6.304 15 H CYS 3 H CYS 3 1.860 -2.150 -3.003 16 HA CYS 3 HA CYS 3 -1.136 -2.724 -3.308 17 HB2 CYS 3 HB3 CYS 3 0.224 -0.879 -1.233 18 HB3 CYS 3 HB2 CYS 3 -1.429 -1.500 -1.205 19 H ARG 4 H ARG 4 0.864 0.185 -3.042 20 HA ARG 4 HA ARG 4 -0.647 1.454 -5.398 21 HB2 ARG 4 HB3 ARG 4 -0.125 2.559 -2.584 22 HB3 ARG 4 HB2 ARG 4 0.102 3.685 -3.869 23 HG2 ARG 4 HG3 ARG 4 -2.467 2.119 -4.241 24 HG3 ARG 4 HG2 ARG 4 -2.383 2.892 -2.693 25 HD2 ARG 4 HD3 ARG 4 -3.502 4.361 -4.325 26 HD3 ARG 4 HD2 ARG 4 -2.030 5.128 -3.692 27 HE ARG 4 HE ARG 4 -1.251 3.719 -6.129 28 HH11 ARG 4 HH11 ARG 4 -1.523 6.329 -8.244 29 HH12 ARG 4 HH12 ARG 4 -0.823 4.689 -7.860 30 HH21 ARG 4 HH21 ARG 4 -2.806 7.313 -6.842 31 HH22 ARG 4 HH22 ARG 4 -3.191 6.450 -5.275 32 H PHE 5 H PHE 5 2.514 1.259 -3.880 33 HA PHE 5 HA PHE 5 3.812 2.079 -6.471 34 HB2 PHE 5 HB3 PHE 5 4.667 3.642 -3.943 35 HB3 PHE 5 HB2 PHE 5 5.293 3.815 -5.547 36 HD1 PHE 5 HD1 PHE 5 3.695 4.795 -7.389 37 HD2 PHE 5 HD2 PHE 5 2.803 4.953 -3.188 38 HE1 PHE 5 HE1 PHE 5 2.101 6.630 -7.789 39 HE2 PHE 5 HE2 PHE 5 1.203 6.777 -3.596 40 HZ PHE 5 HZ PHE 5 0.852 7.627 -5.893 41 H PHE 6 H PHE 6 5.101 1.936 -3.198 42 HA PHE 6 HA PHE 6 6.630 -0.627 -3.813 43 HB2 PHE 6 HB3 PHE 6 8.058 0.264 -1.737 44 HB3 PHE 6 HB2 PHE 6 8.329 0.754 -3.363 45 HD1 PHE 6 HD1 PHE 6 8.155 3.051 -4.060 46 HD2 PHE 6 HD2 PHE 6 6.812 1.953 -0.123 47 HE1 PHE 6 HE1 PHE 6 7.920 5.427 -3.472 48 HE2 PHE 6 HE2 PHE 6 6.582 4.345 0.449 49 HZ PHE 6 HZ PHE 6 7.128 6.080 -1.225 50 H CYS 7 H CYS 7 4.415 0.628 -1.383 51 HA CYS 7 HA CYS 7 3.320 -0.342 0.438 52 HB2 CYS 7 HB3 CYS 7 2.658 -1.808 -1.541 53 HB3 CYS 7 HB2 CYS 7 3.695 -3.065 -0.872 Start of MODEL 5 1 1HD 9XQ 1 1HD GBA 1 5.290 -6.763 -2.744 2 HZ 9XQ 1 HZ GBA 1 5.026 -9.625 0.486 3 2HE 9XQ 1 2HE GBA 1 2.757 -8.896 0.934 4 2HD 9XQ 1 2HD GBA 1 1.746 -7.086 -0.358 5 2HH1 9XQ 1 2HH1 GBA 1 6.754 -9.715 0.826 6 1HH1 9XQ 1 1HH1 GBA 1 8.522 -10.160 0.745 7 1HH2 9XQ 1 1HH2 GBA 1 9.678 -9.618 -0.780 8 3HE 9XQ 1 3HE GBA 1 7.133 -8.040 -2.239 9 2HH2 9XQ 1 2HH2 GBA 1 9.140 -8.680 -2.234 10 H ALA 2 H ALA 2 3.535 -6.066 -4.164 11 HA ALA 2 HA ALA 2 3.346 -3.224 -3.914 12 HB1 ALA 2 HB1 ALA 2 2.878 -3.273 -6.353 13 HB2 ALA 2 HB2 ALA 2 4.145 -4.443 -5.947 14 HB3 ALA 2 HB3 ALA 2 2.476 -4.996 -6.278 15 H CYS 3 H CYS 3 1.814 -2.218 -2.893 16 HA CYS 3 HA CYS 3 -1.161 -2.737 -3.359 17 HB2 CYS 3 HB3 CYS 3 0.033 -0.879 -1.207 18 HB3 CYS 3 HB2 CYS 3 -1.572 -1.608 -1.259 19 H ARG 4 H ARG 4 0.868 0.156 -3.042 20 HA ARG 4 HA ARG 4 -0.639 1.457 -5.385 21 HB2 ARG 4 HB3 ARG 4 -0.072 2.574 -2.582 22 HB3 ARG 4 HB2 ARG 4 0.087 3.689 -3.890 23 HG2 ARG 4 HG3 ARG 4 -2.455 2.050 -4.137 24 HG3 ARG 4 HG2 ARG 4 -2.340 2.887 -2.624 25 HD2 ARG 4 HD3 ARG 4 -3.549 4.254 -4.284 26 HD3 ARG 4 HD2 ARG 4 -2.086 5.088 -3.715 27 HE ARG 4 HE ARG 4 -1.333 3.611 -6.125 28 HH11 ARG 4 HH11 ARG 4 -1.699 6.153 -8.306 29 HH12 ARG 4 HH12 ARG 4 -0.957 4.541 -7.889 30 HH21 ARG 4 HH21 ARG 4 -2.979 7.149 -6.910 31 HH22 ARG 4 HH22 ARG 4 -3.318 6.324 -5.312 32 H PHE 5 H PHE 5 2.528 1.243 -3.875 33 HA PHE 5 HA PHE 5 3.818 2.062 -6.472 34 HB2 PHE 5 HB3 PHE 5 4.677 3.640 -3.954 35 HB3 PHE 5 HB2 PHE 5 5.291 3.812 -5.564 36 HD1 PHE 5 HD1 PHE 5 3.662 4.767 -7.398 37 HD2 PHE 5 HD2 PHE 5 2.820 4.953 -3.187 38 HE1 PHE 5 HE1 PHE 5 2.032 6.571 -7.797 39 HE2 PHE 5 HE2 PHE 5 1.188 6.747 -3.594 40 HZ PHE 5 HZ PHE 5 0.789 7.564 -5.895 41 H PHE 6 H PHE 6 5.123 1.940 -3.209 42 HA PHE 6 HA PHE 6 6.620 -0.656 -3.789 43 HB2 PHE 6 HB3 PHE 6 8.113 0.253 -1.790 44 HB3 PHE 6 HB2 PHE 6 8.322 0.774 -3.418 45 HD1 PHE 6 HD1 PHE 6 8.165 3.081 -4.038 46 HD2 PHE 6 HD2 PHE 6 6.822 1.897 -0.125 47 HE1 PHE 6 HE1 PHE 6 7.913 5.443 -3.406 48 HE2 PHE 6 HE2 PHE 6 6.578 4.277 0.494 49 HZ PHE 6 HZ PHE 6 7.116 6.046 -1.147 50 H CYS 7 H CYS 7 4.318 0.608 -1.493 51 HA CYS 7 HA CYS 7 3.395 -0.272 0.529 52 HB2 CYS 7 HB3 CYS 7 2.423 -1.450 -1.484 53 HB3 CYS 7 HB2 CYS 7 3.443 -2.854 -1.131 Start of MODEL 6 1 1HD 9XQ 1 1HD GBA 1 3.723 -7.971 -3.596 2 HZ 9XQ 1 HZ GBA 1 4.207 -10.279 0.024 3 2HE 9XQ 1 2HE GBA 1 3.462 -8.384 1.329 4 2HD 9XQ 1 2HD GBA 1 2.828 -6.295 0.252 5 2HH1 9XQ 1 2HH1 GBA 1 5.303 -11.496 -0.651 6 1HH1 9XQ 1 1HH1 GBA 1 5.770 -13.044 -1.496 7 1HH2 9XQ 1 1HH2 GBA 1 5.523 -13.293 -3.453 8 3HE 9XQ 1 3HE GBA 1 4.302 -10.203 -3.759 9 2HH2 9XQ 1 2HH2 GBA 1 4.802 -12.081 -4.593 10 H ALA 2 H ALA 2 3.714 -5.998 -4.142 11 HA ALA 2 HA ALA 2 3.359 -3.282 -3.887 12 HB1 ALA 2 HB1 ALA 2 2.477 -4.976 -6.309 13 HB2 ALA 2 HB2 ALA 2 2.888 -3.253 -6.343 14 HB3 ALA 2 HB3 ALA 2 4.146 -4.437 -5.953 15 H CYS 3 H CYS 3 1.851 -2.187 -2.956 16 HA CYS 3 HA CYS 3 -1.139 -2.726 -3.315 17 HB2 CYS 3 HB3 CYS 3 0.185 -0.872 -1.229 18 HB3 CYS 3 HB2 CYS 3 -1.458 -1.516 -1.217 19 H ARG 4 H ARG 4 0.856 0.194 -3.038 20 HA ARG 4 HA ARG 4 -0.657 1.429 -5.402 21 HB2 ARG 4 HB3 ARG 4 -0.703 2.365 -2.648 22 HB3 ARG 4 HB2 ARG 4 0.299 3.507 -3.473 23 HG2 ARG 4 HG3 ARG 4 -2.469 2.653 -4.599 24 HG3 ARG 4 HG2 ARG 4 -2.337 3.800 -3.297 25 HD2 ARG 4 HD3 ARG 4 -2.578 5.106 -5.334 26 HD3 ARG 4 HD2 ARG 4 -0.992 5.380 -4.668 27 HE ARG 4 HE ARG 4 0.082 4.060 -6.462 28 HH11 ARG 4 HH11 ARG 4 -1.223 2.933 -9.318 29 HH12 ARG 4 HH12 ARG 4 0.219 3.207 -8.231 30 HH21 ARG 4 HH21 ARG 4 -3.187 3.411 -8.603 31 HH22 ARG 4 HH22 ARG 4 -3.348 4.140 -6.931 32 H PHE 5 H PHE 5 2.508 1.333 -3.830 33 HA PHE 5 HA PHE 5 3.816 2.062 -6.460 34 HB2 PHE 5 HB3 PHE 5 4.610 3.664 -3.936 35 HB3 PHE 5 HB2 PHE 5 5.330 3.785 -5.508 36 HD1 PHE 5 HD1 PHE 5 3.796 4.653 -7.486 37 HD2 PHE 5 HD2 PHE 5 2.782 5.089 -3.330 38 HE1 PHE 5 HE1 PHE 5 2.229 6.473 -8.049 39 HE2 PHE 5 HE2 PHE 5 1.228 6.908 -3.904 40 HZ PHE 5 HZ PHE 5 0.943 7.601 -6.261 41 H PHE 6 H PHE 6 5.123 1.943 -3.200 42 HA PHE 6 HA PHE 6 6.627 -0.637 -3.810 43 HB2 PHE 6 HB3 PHE 6 8.091 0.251 -1.773 44 HB3 PHE 6 HB2 PHE 6 8.328 0.761 -3.399 45 HD1 PHE 6 HD1 PHE 6 6.834 1.913 -0.124 46 HD2 PHE 6 HD2 PHE 6 8.157 3.068 -4.052 47 HE1 PHE 6 HE1 PHE 6 6.598 4.296 0.479 48 HE2 PHE 6 HE2 PHE 6 7.915 5.435 -3.434 49 HZ PHE 6 HZ PHE 6 7.131 6.054 -1.174 50 H CYS 7 H CYS 7 4.416 0.639 -1.395 51 HA CYS 7 HA CYS 7 3.343 -0.311 0.459 52 HB2 CYS 7 HB3 CYS 7 2.603 -1.695 -1.530 53 HB3 CYS 7 HB2 CYS 7 3.643 -2.994 -0.949 Start of MODEL 7 1 1HD 9XQ 1 1HD GBA 1 4.559 -7.128 -2.528 2 HZ 9XQ 1 HZ GBA 1 2.820 -10.391 -0.289 3 2HE 9XQ 1 2HE GBA 1 0.609 -9.625 -0.901 4 2HD 9XQ 1 2HD GBA 1 0.310 -7.677 -2.333 5 2HH1 9XQ 1 2HH1 GBA 1 5.841 -11.594 1.063 6 1HH1 9XQ 1 1HH1 GBA 1 4.245 -10.809 0.653 7 1HH2 9XQ 1 1HH2 GBA 1 7.714 -9.781 -1.093 8 3HE 9XQ 1 3HE GBA 1 5.956 -8.732 -1.611 9 2HH2 9XQ 1 2HH2 GBA 1 7.541 -11.048 0.191 10 H ALA 2 H ALA 2 3.952 -5.210 -3.014 11 HA ALA 2 HA ALA 2 3.621 -3.068 -3.963 12 HB1 ALA 2 HB1 ALA 2 4.354 -4.479 -5.876 13 HB2 ALA 2 HB2 ALA 2 2.651 -4.861 -6.259 14 HB3 ALA 2 HB3 ALA 2 3.246 -3.201 -6.428 15 H CYS 3 H CYS 3 1.882 -2.550 -2.346 16 HA CYS 3 HA CYS 3 -0.923 -2.819 -3.021 17 HB2 CYS 3 HB3 CYS 3 -0.012 -0.604 -1.103 18 HB3 CYS 3 HB2 CYS 3 -1.504 -1.534 -1.094 19 H ARG 4 H ARG 4 0.950 0.149 -3.185 20 HA ARG 4 HA ARG 4 -0.608 0.960 -5.678 21 HB2 ARG 4 HB3 ARG 4 -0.005 2.965 -3.405 22 HB3 ARG 4 HB2 ARG 4 -0.524 3.397 -5.015 23 HG2 ARG 4 HG3 ARG 4 -2.529 1.544 -4.339 24 HG3 ARG 4 HG2 ARG 4 -2.163 2.160 -2.756 25 HD2 ARG 4 HD3 ARG 4 -2.945 3.785 -5.270 26 HD3 ARG 4 HD2 ARG 4 -4.059 3.348 -3.966 27 HE ARG 4 HE ARG 4 -2.140 4.718 -2.480 28 HH11 ARG 4 HH11 ARG 4 -2.554 7.987 -3.261 29 HH12 ARG 4 HH12 ARG 4 -1.964 6.726 -2.083 30 HH21 ARG 4 HH21 ARG 4 -3.483 7.423 -5.090 31 HH22 ARG 4 HH22 ARG 4 -3.679 5.639 -5.443 32 H PHE 5 H PHE 5 2.443 1.209 -3.954 33 HA PHE 5 HA PHE 5 3.846 1.902 -6.554 34 HB2 PHE 5 HB3 PHE 5 4.614 3.555 -4.069 35 HB3 PHE 5 HB2 PHE 5 5.176 3.738 -5.697 36 HD1 PHE 5 HD1 PHE 5 2.866 4.953 -3.263 37 HD2 PHE 5 HD2 PHE 5 3.300 4.439 -7.509 38 HE1 PHE 5 HE1 PHE 5 1.130 6.655 -3.651 39 HE2 PHE 5 HE2 PHE 5 1.560 6.137 -7.887 40 HZ PHE 5 HZ PHE 5 0.470 7.249 -5.966 41 H PHE 6 H PHE 6 4.812 1.768 -3.171 42 HA PHE 6 HA PHE 6 6.433 -0.787 -3.659 43 HB2 PHE 6 HB3 PHE 6 8.047 0.168 -1.870 44 HB3 PHE 6 HB2 PHE 6 8.116 0.728 -3.500 45 HD1 PHE 6 HD1 PHE 6 7.757 3.049 -4.093 46 HD2 PHE 6 HD2 PHE 6 7.098 1.779 -0.035 47 HE1 PHE 6 HE1 PHE 6 7.615 5.397 -3.377 48 HE2 PHE 6 HE2 PHE 6 6.953 4.143 0.664 49 HZ PHE 6 HZ PHE 6 7.207 5.949 -1.004 50 H CYS 7 H CYS 7 4.815 0.966 -1.009 51 HA CYS 7 HA CYS 7 4.280 0.268 1.138 52 HB2 CYS 7 HB3 CYS 7 2.211 -0.714 1.283 53 HB3 CYS 7 HB2 CYS 7 2.238 -0.117 -0.368 Start of MODEL 8 1 1HD 9XQ 1 1HD GBA 1 1.397 -8.554 -3.781 2 HZ 9XQ 1 HZ GBA 1 3.314 -10.344 -0.352 3 2HE 9XQ 1 2HE GBA 1 4.152 -8.170 0.313 4 2HD 9XQ 1 2HD GBA 1 3.704 -6.186 -1.048 5 2HH1 9XQ 1 2HH1 GBA 1 2.690 -13.694 -1.298 6 1HH1 9XQ 1 1HH1 GBA 1 3.080 -11.995 -0.760 7 1HH2 9XQ 1 1HH2 GBA 1 1.614 -14.065 -2.925 8 3HE 9XQ 1 3HE GBA 1 1.279 -10.798 -3.534 9 2HH2 9XQ 1 2HH2 GBA 1 0.907 -12.817 -4.035 10 H ALA 2 H ALA 2 3.962 -5.144 -2.972 11 HA ALA 2 HA ALA 2 3.588 -3.023 -3.967 12 HB1 ALA 2 HB1 ALA 2 4.348 -4.483 -5.836 13 HB2 ALA 2 HB2 ALA 2 2.651 -4.867 -6.234 14 HB3 ALA 2 HB3 ALA 2 3.250 -3.208 -6.417 15 H CYS 3 H CYS 3 1.895 -2.504 -2.372 16 HA CYS 3 HA CYS 3 -0.937 -2.807 -3.010 17 HB2 CYS 3 HB3 CYS 3 0.017 -0.628 -1.076 18 HB3 CYS 3 HB2 CYS 3 -1.471 -1.563 -1.050 19 H ARG 4 H ARG 4 0.961 0.153 -3.182 20 HA ARG 4 HA ARG 4 -0.598 0.956 -5.674 21 HB2 ARG 4 HB3 ARG 4 0.011 2.982 -3.423 22 HB3 ARG 4 HB2 ARG 4 -0.503 3.399 -5.038 23 HG2 ARG 4 HG3 ARG 4 -2.522 1.575 -4.361 24 HG3 ARG 4 HG2 ARG 4 -2.151 2.178 -2.775 25 HD2 ARG 4 HD3 ARG 4 -2.920 3.823 -5.279 26 HD3 ARG 4 HD2 ARG 4 -4.033 3.397 -3.972 27 HE ARG 4 HE ARG 4 -2.082 4.740 -2.496 28 HH11 ARG 4 HH11 ARG 4 -2.465 8.017 -3.263 29 HH12 ARG 4 HH12 ARG 4 -1.877 6.745 -2.097 30 HH21 ARG 4 HH21 ARG 4 -3.423 7.467 -5.083 31 HH22 ARG 4 HH22 ARG 4 -3.644 5.687 -5.438 32 H PHE 5 H PHE 5 2.463 1.213 -3.962 33 HA PHE 5 HA PHE 5 3.849 1.910 -6.572 34 HB2 PHE 5 HB3 PHE 5 4.622 3.556 -4.080 35 HB3 PHE 5 HB2 PHE 5 5.196 3.737 -5.704 36 HD1 PHE 5 HD1 PHE 5 2.882 4.971 -3.288 37 HD2 PHE 5 HD2 PHE 5 3.332 4.433 -7.528 38 HE1 PHE 5 HE1 PHE 5 1.159 6.682 -3.693 39 HE2 PHE 5 HE2 PHE 5 1.605 6.139 -7.924 40 HZ PHE 5 HZ PHE 5 0.514 7.269 -6.014 41 H PHE 6 H PHE 6 4.832 1.783 -3.197 42 HA PHE 6 HA PHE 6 6.433 -0.788 -3.678 43 HB2 PHE 6 HB3 PHE 6 7.977 0.140 -1.794 44 HB3 PHE 6 HB2 PHE 6 8.145 0.672 -3.425 45 HD1 PHE 6 HD1 PHE 6 7.076 1.819 -0.022 46 HD2 PHE 6 HD2 PHE 6 7.802 2.991 -4.098 47 HE1 PHE 6 HE1 PHE 6 6.943 4.198 0.622 48 HE2 PHE 6 HE2 PHE 6 7.678 5.356 -3.434 49 HZ PHE 6 HZ PHE 6 7.239 5.963 -1.082 50 H CYS 7 H CYS 7 5.049 0.965 -0.896 51 HA CYS 7 HA CYS 7 4.268 0.240 1.134 52 HB2 CYS 7 HB3 CYS 7 2.203 -0.713 1.174 53 HB3 CYS 7 HB2 CYS 7 2.308 -0.172 -0.498 Start of MODEL 9 1 1HD 9XQ 1 1HD GBA 1 4.556 -7.195 -2.623 2 HZ 9XQ 1 HZ GBA 1 2.824 -10.409 -0.305 3 2HE 9XQ 1 2HE GBA 1 0.612 -9.576 -0.815 4 2HD 9XQ 1 2HD GBA 1 0.307 -7.620 -2.236 5 2HH1 9XQ 1 2HH1 GBA 1 5.864 -11.749 0.852 6 1HH1 9XQ 1 1HH1 GBA 1 4.279 -10.904 0.538 7 1HH2 9XQ 1 1HH2 GBA 1 7.689 -9.963 -1.366 8 3HE 9XQ 1 3HE GBA 1 5.944 -8.847 -1.778 9 2HH2 9XQ 1 2HH2 GBA 1 7.536 -11.247 -0.097 10 H ALA 2 H ALA 2 3.947 -5.216 -3.010 11 HA ALA 2 HA ALA 2 3.619 -3.077 -3.968 12 HB1 ALA 2 HB1 ALA 2 3.237 -3.215 -6.431 13 HB2 ALA 2 HB2 ALA 2 4.346 -4.492 -5.880 14 HB3 ALA 2 HB3 ALA 2 2.642 -4.875 -6.257 15 H CYS 3 H CYS 3 1.884 -2.549 -2.350 16 HA CYS 3 HA CYS 3 -0.923 -2.819 -3.023 17 HB2 CYS 3 HB3 CYS 3 -0.010 -0.607 -1.103 18 HB3 CYS 3 HB2 CYS 3 -1.501 -1.537 -1.094 19 H ARG 4 H ARG 4 0.952 0.146 -3.189 20 HA ARG 4 HA ARG 4 -0.605 0.957 -5.680 21 HB2 ARG 4 HB3 ARG 4 -0.017 2.963 -3.403 22 HB3 ARG 4 HB2 ARG 4 -0.528 3.397 -5.016 23 HG2 ARG 4 HG3 ARG 4 -2.534 1.544 -4.362 24 HG3 ARG 4 HG2 ARG 4 -2.174 2.140 -2.771 25 HD2 ARG 4 HD3 ARG 4 -2.946 3.795 -5.267 26 HD3 ARG 4 HD2 ARG 4 -4.066 3.342 -3.978 27 HE ARG 4 HE ARG 4 -2.230 4.690 -2.424 28 HH11 ARG 4 HH11 ARG 4 -2.470 7.970 -3.226 29 HH12 ARG 4 HH12 ARG 4 -2.019 6.689 -2.009 30 HH21 ARG 4 HH21 ARG 4 -3.270 7.437 -5.124 31 HH22 ARG 4 HH22 ARG 4 -3.496 5.662 -5.498 32 H PHE 5 H PHE 5 2.442 1.217 -3.950 33 HA PHE 5 HA PHE 5 3.846 1.908 -6.552 34 HB2 PHE 5 HB3 PHE 5 4.603 3.562 -4.063 35 HB3 PHE 5 HB2 PHE 5 5.179 3.742 -5.686 36 HD1 PHE 5 HD1 PHE 5 2.830 4.947 -3.278 37 HD2 PHE 5 HD2 PHE 5 3.334 4.450 -7.518 38 HE1 PHE 5 HE1 PHE 5 1.094 6.643 -3.687 39 HE2 PHE 5 HE2 PHE 5 1.595 6.143 -7.917 40 HZ PHE 5 HZ PHE 5 0.470 7.246 -6.010 41 H PHE 6 H PHE 6 4.815 1.775 -3.170 42 HA PHE 6 HA PHE 6 6.435 -0.781 -3.660 43 HB2 PHE 6 HB3 PHE 6 8.046 0.176 -1.863 44 HB3 PHE 6 HB2 PHE 6 8.124 0.723 -3.497 45 HD1 PHE 6 HD1 PHE 6 7.771 3.038 -4.113 46 HD2 PHE 6 HD2 PHE 6 7.097 1.807 -0.045 47 HE1 PHE 6 HE1 PHE 6 7.634 5.393 -3.418 48 HE2 PHE 6 HE2 PHE 6 6.956 4.177 0.633 49 HZ PHE 6 HZ PHE 6 7.221 5.967 -1.051 50 H CYS 7 H CYS 7 4.814 0.968 -1.009 51 HA CYS 7 HA CYS 7 4.279 0.265 1.137 52 HB2 CYS 7 HB3 CYS 7 2.210 -0.715 1.278 53 HB3 CYS 7 HB2 CYS 7 2.239 -0.120 -0.374 Start of MODEL 10 1 1HD 9XQ 1 1HD GBA 1 4.635 -8.081 -4.533 2 HZ 9XQ 1 HZ GBA 1 2.996 -10.762 -1.564 3 2HE 9XQ 1 2HE GBA 1 2.272 -8.855 -0.251 4 2HD 9XQ 1 2HD GBA 1 2.624 -6.566 -1.068 5 2HH1 9XQ 1 2HH1 GBA 1 3.218 -13.680 -3.579 6 1HH1 9XQ 1 1HH1 GBA 1 2.978 -12.215 -2.519 7 1HH2 9XQ 1 1HH2 GBA 1 4.894 -12.089 -6.048 8 3HE 9XQ 1 3HE GBA 1 4.686 -10.311 -4.939 9 2HH2 9XQ 1 2HH2 GBA 1 4.166 -13.583 -5.322 10 H ALA 2 H ALA 2 1.910 -5.427 -3.059 11 HA ALA 2 HA ALA 2 3.344 -3.020 -3.951 12 HB1 ALA 2 HB1 ALA 2 3.871 -4.319 -6.041 13 HB2 ALA 2 HB2 ALA 2 2.163 -4.783 -6.220 14 HB3 ALA 2 HB3 ALA 2 2.656 -3.086 -6.412 15 H CYS 3 H CYS 3 1.748 -2.255 -2.397 16 HA CYS 3 HA CYS 3 -1.183 -2.560 -2.924 17 HB2 CYS 3 HB3 CYS 3 -0.079 -0.367 -1.095 18 HB3 CYS 3 HB2 CYS 3 -1.637 -1.177 -1.046 19 H ARG 4 H ARG 4 0.869 0.306 -3.105 20 HA ARG 4 HA ARG 4 -0.582 1.170 -5.658 21 HB2 ARG 4 HB3 ARG 4 -0.104 2.895 -3.142 22 HB3 ARG 4 HB2 ARG 4 0.014 3.655 -4.686 23 HG2 ARG 4 HG3 ARG 4 -2.452 2.110 -4.884 24 HG3 ARG 4 HG2 ARG 4 -2.420 2.683 -3.250 25 HD2 ARG 4 HD3 ARG 4 -3.622 4.304 -4.642 26 HD3 ARG 4 HD2 ARG 4 -2.128 5.071 -4.055 27 HE ARG 4 HE ARG 4 -1.550 3.774 -6.637 28 HH11 ARG 4 HH11 ARG 4 -1.832 6.542 -8.546 29 HH12 ARG 4 HH12 ARG 4 -1.207 4.843 -8.334 30 HH21 ARG 4 HH21 ARG 4 -2.950 7.486 -6.985 31 HH22 ARG 4 HH22 ARG 4 -3.266 6.532 -5.454 32 H PHE 5 H PHE 5 2.487 1.236 -3.969 33 HA PHE 5 HA PHE 5 3.896 1.771 -6.607 34 HB2 PHE 5 HB3 PHE 5 4.716 3.430 -4.132 35 HB3 PHE 5 HB2 PHE 5 5.388 3.513 -5.729 36 HD1 PHE 5 HD1 PHE 5 2.951 4.920 -3.496 37 HD2 PHE 5 HD2 PHE 5 3.759 4.331 -7.677 38 HE1 PHE 5 HE1 PHE 5 1.369 6.718 -4.057 39 HE2 PHE 5 HE2 PHE 5 2.179 6.136 -8.229 40 HZ PHE 5 HZ PHE 5 0.978 7.335 -6.421 41 H PHE 6 H PHE 6 4.884 1.627 -3.223 42 HA PHE 6 HA PHE 6 6.309 -1.046 -3.685 43 HB2 PHE 6 HB3 PHE 6 8.000 -0.181 -1.917 44 HB3 PHE 6 HB2 PHE 6 8.107 0.334 -3.559 45 HD1 PHE 6 HD1 PHE 6 7.181 1.541 -0.120 46 HD2 PHE 6 HD2 PHE 6 7.920 2.661 -4.207 47 HE1 PHE 6 HE1 PHE 6 7.205 3.925 0.522 48 HE2 PHE 6 HE2 PHE 6 7.948 5.031 -3.547 49 HZ PHE 6 HZ PHE 6 7.584 5.668 -1.188 50 H CYS 7 H CYS 7 4.859 0.867 -1.036 51 HA CYS 7 HA CYS 7 4.283 0.227 1.116 52 HB2 CYS 7 HB3 CYS 7 2.149 -0.585 1.290 53 HB3 CYS 7 HB2 CYS 7 2.201 -0.028 -0.376
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