NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641611 | 6qyu | 34372 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H1 PHE 1 7.726 0.010 7.877 2 H2 PHE 1 H2 PHE 1 9.024 -0.813 7.153 3 H3 PHE 1 H3 PHE 1 7.916 0.044 6.191 4 HA PHE 1 HA PHE 1 10.239 0.979 7.591 5 HB2 PHE 1 HB2 PHE 1 8.424 2.080 5.428 6 HB3 PHE 1 HB1 PHE 1 9.923 2.848 5.950 7 HD1 PHE 1 HD1 PHE 1 8.439 0.084 4.074 8 HD2 PHE 1 HD2 PHE 1 12.104 1.717 5.603 9 HE1 PHE 1 HE1 PHE 1 9.730 -1.412 2.575 10 HE2 PHE 1 HE2 PHE 1 13.397 0.222 4.105 11 HZ PHE 1 HZ PHE 1 12.210 -1.343 2.592 12 H DHA 2 HN DHA 2 8.495 3.729 6.794 13 HB1 DHA 2 HB1 DHA 2 8.851 4.285 10.273 14 HB2 DHA 2 HB2 DHA 2 7.465 5.497 10.316 15 H DAL 3 HN DAL 3 7.477 6.874 8.143 16 HA DAL 3 HA DAL 3 5.665 8.146 7.551 17 HB1 DAL 3 HB1 DAL 3 4.479 6.045 8.675 18 HB2 DAL 3 HB2 DAL 3 3.957 5.787 7.023 19 H LEU 4 HN LEU 4 6.988 5.577 5.727 20 HA LEU 4 HA LEU 4 6.406 7.067 3.269 21 HB2 LEU 4 HB2 LEU 4 8.129 5.239 2.410 22 HB3 LEU 4 HB1 LEU 4 8.652 6.690 3.259 23 HG LEU 4 HG LEU 4 7.997 4.172 4.770 24 HD11 LEU 4 HD11 LEU 4 9.766 3.165 3.784 25 HD12 LEU 4 HD12 LEU 4 10.780 4.354 4.603 26 HD13 LEU 4 HD13 LEU 4 10.231 4.650 2.954 27 HD21 LEU 4 HD21 LEU 4 8.694 6.796 5.485 28 HD22 LEU 4 HD22 LEU 4 10.173 5.862 5.708 29 HD23 LEU 4 HD23 LEU 4 8.695 5.387 6.544 30 H DHA 5 HN DHA 5 5.217 4.201 4.849 31 HB1 DHA 5 HB1 DHA 5 5.156 2.745 1.591 32 HB2 DHA 5 HB2 DHA 5 3.596 1.840 1.939 33 H LEU 6 HN LEU 6 2.193 4.508 3.284 34 HA LEU 6 HA LEU 6 0.125 3.255 4.098 35 HB2 LEU 6 HB2 LEU 6 0.139 2.894 6.564 36 HB3 LEU 6 HB1 LEU 6 1.259 1.852 5.698 37 HG LEU 6 HG LEU 6 2.769 4.130 6.260 38 HD11 LEU 6 HD11 LEU 6 1.136 3.419 8.705 39 HD12 LEU 6 HD12 LEU 6 0.897 4.874 7.736 40 HD13 LEU 6 HD13 LEU 6 2.412 4.634 8.608 41 HD21 LEU 6 HD21 LEU 6 3.254 2.360 8.396 42 HD22 LEU 6 HD22 LEU 6 4.120 2.434 6.866 43 HD23 LEU 6 HD23 LEU 6 2.753 1.339 7.052 44 H CYS 7 HN CYS 7 2.236 5.466 5.766 45 HA CYS 7 HA CYS 7 0.635 7.200 7.062 46 HB2 CYS 7 HB2 CYS 7 3.165 7.280 5.614 47 HB3 CYS 7 HB1 CYS 7 2.446 8.872 5.867 48 H ALA 8 HN ALA 8 0.482 6.499 3.766 49 HA ALA 8 HA ALA 8 -0.103 8.547 2.235 50 HB1 ALA 8 HB1 ALA 8 -0.760 6.512 1.341 51 HB2 ALA 8 HB2 ALA 8 -2.318 7.288 1.625 52 HB3 ALA 8 HB3 ALA 8 -1.714 6.082 2.761 Start of MODEL 2 1 H1 PHE 1 H1 PHE 1 10.271 5.041 4.635 2 H2 PHE 1 H2 PHE 1 11.243 3.786 4.029 3 H3 PHE 1 H3 PHE 1 11.896 4.923 5.110 4 HA PHE 1 HA PHE 1 10.050 2.693 5.641 5 HB2 PHE 1 HB2 PHE 1 12.654 3.746 6.729 6 HB3 PHE 1 HB1 PHE 1 11.655 2.657 7.694 7 HD1 PHE 1 HD1 PHE 1 12.180 0.399 7.533 8 HD2 PHE 1 HD2 PHE 1 12.793 2.936 4.119 9 HE1 PHE 1 HE1 PHE 1 13.050 -1.537 6.250 10 HE2 PHE 1 HE2 PHE 1 13.662 0.998 2.838 11 HZ PHE 1 HZ PHE 1 13.791 -1.237 3.903 12 H DHA 2 HN DHA 2 8.346 2.921 7.102 13 HB1 DHA 2 HB1 DHA 2 8.813 4.185 10.123 14 HB2 DHA 2 HB2 DHA 2 7.271 5.192 10.194 15 H DAL 3 HN DAL 3 7.366 6.938 8.276 16 HA DAL 3 HA DAL 3 5.629 8.175 7.506 17 HB1 DAL 3 HB1 DAL 3 4.473 6.038 8.632 18 HB2 DAL 3 HB2 DAL 3 3.934 5.816 6.981 19 H LEU 4 HN LEU 4 6.988 5.591 5.760 20 HA LEU 4 HA LEU 4 6.489 7.023 3.257 21 HB2 LEU 4 HB2 LEU 4 8.753 5.916 4.286 22 HB3 LEU 4 HB1 LEU 4 8.215 4.643 3.191 23 HG LEU 4 HG LEU 4 8.447 7.556 2.389 24 HD11 LEU 4 HD11 LEU 4 10.347 5.293 1.723 25 HD12 LEU 4 HD12 LEU 4 10.646 6.457 3.013 26 HD13 LEU 4 HD13 LEU 4 10.542 7.002 1.339 27 HD21 LEU 4 HD21 LEU 4 8.526 6.304 0.088 28 HD22 LEU 4 HD22 LEU 4 6.968 6.518 0.887 29 HD23 LEU 4 HD23 LEU 4 7.805 4.968 0.987 30 H DHA 5 HN DHA 5 5.177 4.190 4.848 31 HB1 DHA 5 HB1 DHA 5 5.163 2.781 1.549 32 HB2 DHA 5 HB2 DHA 5 3.601 1.871 1.870 33 H LEU 6 HN LEU 6 2.230 4.565 3.329 34 HA LEU 6 HA LEU 6 0.152 3.255 4.099 35 HB2 LEU 6 HB2 LEU 6 0.190 2.936 6.591 36 HB3 LEU 6 HB1 LEU 6 1.256 1.861 5.695 37 HG LEU 6 HG LEU 6 2.833 4.113 6.214 38 HD11 LEU 6 HD11 LEU 6 2.536 4.739 8.471 39 HD12 LEU 6 HD12 LEU 6 1.457 3.381 8.790 40 HD13 LEU 6 HD13 LEU 6 0.907 4.730 7.795 41 HD21 LEU 6 HD21 LEU 6 2.787 1.310 6.986 42 HD22 LEU 6 HD22 LEU 6 3.379 2.313 8.303 43 HD23 LEU 6 HD23 LEU 6 4.169 2.373 6.732 44 H CYS 7 HN CYS 7 2.206 5.471 5.839 45 HA CYS 7 HA CYS 7 0.617 7.197 7.120 46 HB2 CYS 7 HB2 CYS 7 3.114 7.340 5.610 47 HB3 CYS 7 HB1 CYS 7 2.364 8.908 5.914 48 H ALA 8 HN ALA 8 0.730 6.731 3.696 49 HA ALA 8 HA ALA 8 -1.490 8.609 3.371 50 HB1 ALA 8 HB1 ALA 8 -0.463 9.811 1.573 51 HB2 ALA 8 HB2 ALA 8 0.935 8.736 1.576 52 HB3 ALA 8 HB3 ALA 8 0.666 9.838 2.927 Start of MODEL 3 1 H1 PHE 1 H1 PHE 1 8.507 2.821 5.630 2 H2 PHE 1 H2 PHE 1 9.434 1.408 5.455 3 H3 PHE 1 H3 PHE 1 9.758 2.765 4.485 4 HA PHE 1 HA PHE 1 10.792 2.119 7.029 5 HB2 PHE 1 HB2 PHE 1 12.012 2.992 5.016 6 HB3 PHE 1 HB1 PHE 1 11.224 4.550 5.270 7 HD1 PHE 1 HD1 PHE 1 12.095 6.106 6.815 8 HD2 PHE 1 HD2 PHE 1 13.390 2.013 6.953 9 HE1 PHE 1 HE1 PHE 1 13.819 6.708 8.493 10 HE2 PHE 1 HE2 PHE 1 15.114 2.614 8.631 11 HZ PHE 1 HZ PHE 1 15.330 4.962 9.401 12 H DHA 2 HN DHA 2 7.952 2.859 7.331 13 HB1 DHA 2 HB1 DHA 2 8.713 4.333 10.318 14 HB2 DHA 2 HB2 DHA 2 7.250 5.453 10.324 15 H DAL 3 HN DAL 3 7.387 6.957 8.194 16 HA DAL 3 HA DAL 3 5.608 8.193 7.471 17 HB1 DAL 3 HB1 DAL 3 4.441 6.058 8.602 18 HB2 DAL 3 HB2 DAL 3 3.906 5.850 6.949 19 H LEU 4 HN LEU 4 7.003 5.594 5.776 20 HA LEU 4 HA LEU 4 6.549 6.995 3.251 21 HB2 LEU 4 HB2 LEU 4 8.837 6.264 4.031 22 HB3 LEU 4 HB1 LEU 4 8.323 4.604 3.728 23 HG LEU 4 HG LEU 4 7.584 6.038 1.422 24 HD11 LEU 4 HD11 LEU 4 9.458 7.299 0.755 25 HD12 LEU 4 HD12 LEU 4 10.493 6.586 1.993 26 HD13 LEU 4 HD13 LEU 4 9.252 7.754 2.446 27 HD21 LEU 4 HD21 LEU 4 9.924 4.206 2.033 28 HD22 LEU 4 HD22 LEU 4 9.439 4.669 0.402 29 HD23 LEU 4 HD23 LEU 4 8.341 3.733 1.416 30 H DHA 5 HN DHA 5 5.173 4.193 4.843 31 HB1 DHA 5 HB1 DHA 5 5.147 2.822 1.521 32 HB2 DHA 5 HB2 DHA 5 3.584 1.913 1.839 33 H LEU 6 HN LEU 6 2.233 4.584 3.338 34 HA LEU 6 HA LEU 6 0.157 3.257 4.106 35 HB2 LEU 6 HB2 LEU 6 0.204 2.926 6.593 36 HB3 LEU 6 HB1 LEU 6 1.273 1.861 5.690 37 HG LEU 6 HG LEU 6 2.833 4.125 6.217 38 HD11 LEU 6 HD11 LEU 6 1.136 3.408 8.616 39 HD12 LEU 6 HD12 LEU 6 1.193 4.967 7.794 40 HD13 LEU 6 HD13 LEU 6 2.598 4.391 8.691 41 HD21 LEU 6 HD21 LEU 6 3.422 2.316 8.280 42 HD22 LEU 6 HD22 LEU 6 4.187 2.388 6.697 43 HD23 LEU 6 HD23 LEU 6 2.817 1.312 6.967 44 H CYS 7 HN CYS 7 2.206 5.485 5.839 45 HA CYS 7 HA CYS 7 0.627 7.179 7.154 46 HB2 CYS 7 HB2 CYS 7 3.082 7.371 5.587 47 HB3 CYS 7 HB1 CYS 7 2.308 8.927 5.897 48 H ALA 8 HN ALA 8 1.146 7.257 3.665 49 HA ALA 8 HA ALA 8 -1.441 8.580 3.316 50 HB1 ALA 8 HB1 ALA 8 -0.608 10.405 2.066 51 HB2 ALA 8 HB2 ALA 8 0.999 9.689 1.937 52 HB3 ALA 8 HB3 ALA 8 0.435 10.321 3.485 Start of MODEL 4 1 H1 PHE 1 H1 PHE 1 11.952 2.313 5.920 2 H2 PHE 1 H2 PHE 1 11.528 3.290 7.243 3 H3 PHE 1 H3 PHE 1 10.844 3.581 5.717 4 HA PHE 1 HA PHE 1 9.496 1.710 5.798 5 HB2 PHE 1 HB2 PHE 1 9.818 -0.031 7.561 6 HB3 PHE 1 HB1 PHE 1 11.212 0.117 6.489 7 HD1 PHE 1 HD1 PHE 1 13.115 1.716 7.244 8 HD2 PHE 1 HD2 PHE 1 10.097 0.178 9.886 9 HE1 PHE 1 HE1 PHE 1 14.566 2.215 9.192 10 HE2 PHE 1 HE2 PHE 1 11.549 0.678 11.834 11 HZ PHE 1 HZ PHE 1 13.783 1.697 11.487 12 H DHA 2 HN DHA 2 8.921 4.275 6.611 13 HB1 DHA 2 HB1 DHA 2 8.773 4.145 10.159 14 HB2 DHA 2 HB2 DHA 2 7.218 5.134 10.211 15 H DAL 3 HN DAL 3 7.351 6.914 8.315 16 HA DAL 3 HA DAL 3 5.629 8.157 7.529 17 HB1 DAL 3 HB1 DAL 3 4.466 6.016 8.633 18 HB2 DAL 3 HB2 DAL 3 3.939 5.804 6.975 19 H LEU 4 HN LEU 4 6.974 5.573 5.753 20 HA LEU 4 HA LEU 4 6.471 7.040 3.276 21 HB2 LEU 4 HB2 LEU 4 8.790 6.414 3.936 22 HB3 LEU 4 HB1 LEU 4 8.343 4.719 3.791 23 HG LEU 4 HG LEU 4 9.533 5.848 1.785 24 HD11 LEU 4 HD11 LEU 4 7.531 3.825 1.963 25 HD12 LEU 4 HD12 LEU 4 8.834 3.973 0.787 26 HD13 LEU 4 HD13 LEU 4 7.270 4.716 0.463 27 HD21 LEU 4 HD21 LEU 4 7.920 7.843 1.875 28 HD22 LEU 4 HD22 LEU 4 6.728 6.771 1.136 29 HD23 LEU 4 HD23 LEU 4 8.226 7.144 0.287 30 H DHA 5 HN DHA 5 5.203 4.175 4.841 31 HB1 DHA 5 HB1 DHA 5 5.136 2.798 1.535 32 HB2 DHA 5 HB2 DHA 5 3.575 1.891 1.869 33 H LEU 6 HN LEU 6 2.203 4.543 3.314 34 HA LEU 6 HA LEU 6 0.142 3.241 4.125 35 HB2 LEU 6 HB2 LEU 6 0.198 2.904 6.604 36 HB3 LEU 6 HB1 LEU 6 1.287 1.853 5.709 37 HG LEU 6 HG LEU 6 2.819 4.130 6.227 38 HD11 LEU 6 HD11 LEU 6 1.037 3.477 8.575 39 HD12 LEU 6 HD12 LEU 6 1.235 5.036 7.776 40 HD13 LEU 6 HD13 LEU 6 2.555 4.362 8.732 41 HD21 LEU 6 HD21 LEU 6 2.824 1.331 7.010 42 HD22 LEU 6 HD22 LEU 6 3.385 2.348 8.330 43 HD23 LEU 6 HD23 LEU 6 4.187 2.421 6.765 44 H CYS 7 HN CYS 7 2.236 5.494 5.763 45 HA CYS 7 HA CYS 7 0.619 7.194 7.085 46 HB2 CYS 7 HB2 CYS 7 3.137 7.333 5.610 47 HB3 CYS 7 HB1 CYS 7 2.393 8.906 5.911 48 H ALA 8 HN ALA 8 0.329 6.469 3.826 49 HA ALA 8 HA ALA 8 -0.253 8.489 2.262 50 HB1 ALA 8 HB1 ALA 8 -1.886 7.218 1.236 51 HB2 ALA 8 HB2 ALA 8 -2.588 6.694 2.768 52 HB3 ALA 8 HB3 ALA 8 -1.075 5.984 2.202 Start of MODEL 5 1 H1 PHE 1 H1 PHE 1 11.431 0.603 7.621 2 H2 PHE 1 H2 PHE 1 10.282 -0.342 6.800 3 H3 PHE 1 H3 PHE 1 9.934 0.274 8.345 4 HA PHE 1 HA PHE 1 10.648 2.302 6.433 5 HB2 PHE 1 HB2 PHE 1 8.161 0.607 6.056 6 HB3 PHE 1 HB1 PHE 1 8.417 2.179 5.297 7 HD1 PHE 1 HD1 PHE 1 10.796 2.422 4.085 8 HD2 PHE 1 HD2 PHE 1 8.768 -1.287 4.848 9 HE1 PHE 1 HE1 PHE 1 12.098 1.339 2.274 10 HE2 PHE 1 HE2 PHE 1 10.071 -2.372 3.037 11 HZ PHE 1 HZ PHE 1 11.736 -1.058 1.751 12 H DHA 2 HN DHA 2 8.603 3.983 6.565 13 HB1 DHA 2 HB1 DHA 2 8.869 4.183 10.150 14 HB2 DHA 2 HB2 DHA 2 7.384 5.272 10.251 15 H DAL 3 HN DAL 3 7.443 6.896 8.215 16 HA DAL 3 HA DAL 3 5.661 8.151 7.561 17 HB1 DAL 3 HB1 DAL 3 4.496 6.037 8.680 18 HB2 DAL 3 HB2 DAL 3 3.973 5.776 7.030 19 H LEU 4 HN LEU 4 6.968 5.574 5.746 20 HA LEU 4 HA LEU 4 6.428 7.056 3.273 21 HB2 LEU 4 HB2 LEU 4 8.540 5.197 4.207 22 HB3 LEU 4 HB1 LEU 4 8.154 5.161 2.486 23 HG LEU 4 HG LEU 4 9.962 6.820 3.156 24 HD11 LEU 4 HD11 LEU 4 7.684 8.386 2.030 25 HD12 LEU 4 HD12 LEU 4 8.169 6.927 1.166 26 HD13 LEU 4 HD13 LEU 4 9.336 8.222 1.436 27 HD21 LEU 4 HD21 LEU 4 9.469 8.650 4.492 28 HD22 LEU 4 HD22 LEU 4 8.409 7.449 5.230 29 HD23 LEU 4 HD23 LEU 4 7.753 8.617 4.082 30 H DHA 5 HN DHA 5 5.173 4.203 4.845 31 HB1 DHA 5 HB1 DHA 5 5.134 2.795 1.548 32 HB2 DHA 5 HB2 DHA 5 3.581 1.878 1.889 33 H LEU 6 HN LEU 6 2.173 4.511 3.289 34 HA LEU 6 HA LEU 6 0.121 3.228 4.128 35 HB2 LEU 6 HB2 LEU 6 0.182 2.857 6.591 36 HB3 LEU 6 HB1 LEU 6 1.304 1.835 5.703 37 HG LEU 6 HG LEU 6 2.781 4.142 6.239 38 HD11 LEU 6 HD11 LEU 6 0.750 4.623 7.799 39 HD12 LEU 6 HD12 LEU 6 2.383 4.852 8.428 40 HD13 LEU 6 HD13 LEU 6 1.477 3.396 8.837 41 HD21 LEU 6 HD21 LEU 6 4.176 2.466 6.809 42 HD22 LEU 6 HD22 LEU 6 2.832 1.346 7.035 43 HD23 LEU 6 HD23 LEU 6 3.350 2.380 8.361 44 H CYS 7 HN CYS 7 2.255 5.506 5.662 45 HA CYS 7 HA CYS 7 0.638 7.187 7.049 46 HB2 CYS 7 HB2 CYS 7 3.174 7.278 5.625 47 HB3 CYS 7 HB1 CYS 7 2.461 8.872 5.887 48 H ALA 8 HN ALA 8 -0.043 6.405 3.986 49 HA ALA 8 HA ALA 8 -0.489 8.748 2.571 50 HB1 ALA 8 HB1 ALA 8 -1.765 6.047 2.634 51 HB2 ALA 8 HB2 ALA 8 -0.834 6.816 1.348 52 HB3 ALA 8 HB3 ALA 8 -2.495 7.323 1.661 Start of MODEL 6 1 H1 PHE 1 H1 PHE 1 12.561 4.254 7.828 2 H2 PHE 1 H2 PHE 1 13.130 3.503 6.416 3 H3 PHE 1 H3 PHE 1 12.333 2.589 7.605 4 HA PHE 1 HA PHE 1 11.230 4.417 5.601 5 HB2 PHE 1 HB2 PHE 1 10.212 1.853 6.860 6 HB3 PHE 1 HB1 PHE 1 9.550 2.655 5.436 7 HD1 PHE 1 HD1 PHE 1 10.434 2.233 3.288 8 HD2 PHE 1 HD2 PHE 1 12.648 1.049 6.772 9 HE1 PHE 1 HE1 PHE 1 12.048 1.020 1.849 10 HE2 PHE 1 HE2 PHE 1 14.264 -0.163 5.333 11 HZ PHE 1 HZ PHE 1 13.964 -0.177 2.871 12 H DHA 2 HN DHA 2 8.535 3.296 6.922 13 HB1 DHA 2 HB1 DHA 2 8.808 4.331 10.210 14 HB2 DHA 2 HB2 DHA 2 7.193 5.216 10.210 15 H DAL 3 HN DAL 3 7.312 7.033 8.335 16 HA DAL 3 HA DAL 3 5.590 8.205 7.460 17 HB1 DAL 3 HB1 DAL 3 4.489 6.034 8.608 18 HB2 DAL 3 HB2 DAL 3 3.935 5.825 6.960 19 H LEU 4 HN LEU 4 7.020 5.610 5.766 20 HA LEU 4 HA LEU 4 6.539 6.997 3.242 21 HB2 LEU 4 HB2 LEU 4 8.604 5.220 4.328 22 HB3 LEU 4 HB1 LEU 4 8.200 4.909 2.639 23 HG LEU 4 HG LEU 4 10.025 6.635 3.004 24 HD11 LEU 4 HD11 LEU 4 8.088 6.477 1.097 25 HD12 LEU 4 HD12 LEU 4 9.403 7.651 1.057 26 HD13 LEU 4 HD13 LEU 4 7.824 8.116 1.689 27 HD21 LEU 4 HD21 LEU 4 9.646 8.490 4.257 28 HD22 LEU 4 HD22 LEU 4 8.256 7.614 4.896 29 HD23 LEU 4 HD23 LEU 4 8.049 8.737 3.552 30 H DHA 5 HN DHA 5 5.194 4.181 4.854 31 HB1 DHA 5 HB1 DHA 5 5.174 2.777 1.557 32 HB2 DHA 5 HB2 DHA 5 3.603 1.879 1.869 33 H LEU 6 HN LEU 6 2.241 4.579 3.321 34 HA LEU 6 HA LEU 6 0.149 3.279 4.067 35 HB2 LEU 6 HB2 LEU 6 0.159 2.928 6.548 36 HB3 LEU 6 HB1 LEU 6 1.235 1.863 5.656 37 HG LEU 6 HG LEU 6 2.808 4.108 6.221 38 HD11 LEU 6 HD11 LEU 6 2.521 4.514 8.611 39 HD12 LEU 6 HD12 LEU 6 1.173 3.377 8.659 40 HD13 LEU 6 HD13 LEU 6 1.025 4.883 7.753 41 HD21 LEU 6 HD21 LEU 6 4.134 2.360 6.744 42 HD22 LEU 6 HD22 LEU 6 2.747 1.297 6.964 43 HD23 LEU 6 HD23 LEU 6 3.318 2.286 8.302 44 H CYS 7 HN CYS 7 2.191 5.467 5.855 45 HA CYS 7 HA CYS 7 0.619 7.163 7.170 46 HB2 CYS 7 HB2 CYS 7 3.082 7.362 5.613 47 HB3 CYS 7 HB1 CYS 7 2.312 8.916 5.948 48 H ALA 8 HN ALA 8 0.571 6.684 3.764 49 HA ALA 8 HA ALA 8 -1.632 8.591 3.530 50 HB1 ALA 8 HB1 ALA 8 -0.113 8.977 1.195 51 HB2 ALA 8 HB2 ALA 8 1.025 9.091 2.537 52 HB3 ALA 8 HB3 ALA 8 -0.394 10.137 2.493 Start of MODEL 7 1 H1 PHE 1 H1 PHE 1 8.139 2.406 5.632 2 H2 PHE 1 H2 PHE 1 8.647 0.927 6.297 3 H3 PHE 1 H3 PHE 1 9.220 1.418 4.774 4 HA PHE 1 HA PHE 1 10.653 1.715 6.947 5 HB2 PHE 1 HB2 PHE 1 10.379 3.333 4.450 6 HB3 PHE 1 HB1 PHE 1 11.464 3.932 5.703 7 HD1 PHE 1 HD1 PHE 1 13.678 3.396 5.218 8 HD2 PHE 1 HD2 PHE 1 10.601 0.499 4.442 9 HE1 PHE 1 HE1 PHE 1 15.398 1.755 4.511 10 HE2 PHE 1 HE2 PHE 1 12.323 -1.140 3.735 11 HZ PHE 1 HZ PHE 1 14.722 -0.511 3.769 12 H DHA 2 HN DHA 2 7.671 2.711 7.341 13 HB1 DHA 2 HB1 DHA 2 8.861 4.237 10.206 14 HB2 DHA 2 HB2 DHA 2 7.497 5.472 10.283 15 H DAL 3 HN DAL 3 7.474 6.862 8.130 16 HA DAL 3 HA DAL 3 5.668 8.150 7.553 17 HB1 DAL 3 HB1 DAL 3 4.461 6.062 8.672 18 HB2 DAL 3 HB2 DAL 3 3.940 5.809 7.021 19 H LEU 4 HN LEU 4 6.965 5.569 5.736 20 HA LEU 4 HA LEU 4 6.410 7.055 3.268 21 HB2 LEU 4 HB2 LEU 4 8.709 5.889 4.277 22 HB3 LEU 4 HB1 LEU 4 8.192 4.767 3.019 23 HG LEU 4 HG LEU 4 8.382 7.757 2.590 24 HD11 LEU 4 HD11 LEU 4 10.521 6.008 3.000 25 HD12 LEU 4 HD12 LEU 4 10.599 7.583 2.210 26 HD13 LEU 4 HD13 LEU 4 10.385 6.123 1.245 27 HD21 LEU 4 HD21 LEU 4 8.576 6.797 0.163 28 HD22 LEU 4 HD22 LEU 4 6.988 6.857 0.926 29 HD23 LEU 4 HD23 LEU 4 7.880 5.337 0.867 30 H DHA 5 HN DHA 5 5.148 4.223 4.846 31 HB1 DHA 5 HB1 DHA 5 5.165 2.754 1.573 32 HB2 DHA 5 HB2 DHA 5 3.616 1.831 1.910 33 H LEU 6 HN LEU 6 2.205 4.523 3.304 34 HA LEU 6 HA LEU 6 0.137 3.241 4.114 35 HB2 LEU 6 HB2 LEU 6 0.182 2.921 6.596 36 HB3 LEU 6 HB1 LEU 6 1.271 1.859 5.714 37 HG LEU 6 HG LEU 6 2.818 4.127 6.220 38 HD11 LEU 6 HD11 LEU 6 0.975 4.885 7.734 39 HD12 LEU 6 HD12 LEU 6 2.524 4.675 8.550 40 HD13 LEU 6 HD13 LEU 6 1.263 3.453 8.722 41 HD21 LEU 6 HD21 LEU 6 3.336 2.367 8.356 42 HD22 LEU 6 HD22 LEU 6 4.164 2.418 6.805 43 HD23 LEU 6 HD23 LEU 6 2.790 1.341 7.033 44 H CYS 7 HN CYS 7 2.229 5.471 5.789 45 HA CYS 7 HA CYS 7 0.636 7.215 7.070 46 HB2 CYS 7 HB2 CYS 7 3.159 7.302 5.608 47 HB3 CYS 7 HB1 CYS 7 2.430 8.888 5.860 48 H ALA 8 HN ALA 8 1.253 7.139 3.608 49 HA ALA 8 HA ALA 8 -1.224 8.622 3.131 50 HB1 ALA 8 HB1 ALA 8 1.524 9.605 2.513 51 HB2 ALA 8 HB2 ALA 8 0.092 10.507 3.009 52 HB3 ALA 8 HB3 ALA 8 0.242 9.932 1.348 Start of MODEL 8 1 H1 PHE 1 H1 PHE 1 10.534 5.085 4.821 2 H2 PHE 1 H2 PHE 1 10.679 3.734 3.801 3 H3 PHE 1 H3 PHE 1 11.834 4.013 5.016 4 HA PHE 1 HA PHE 1 9.320 2.666 5.171 5 HB2 PHE 1 HB2 PHE 1 11.419 1.663 5.892 6 HB3 PHE 1 HB1 PHE 1 11.703 2.989 7.020 7 HD1 PHE 1 HD1 PHE 1 10.462 3.166 9.104 8 HD2 PHE 1 HD2 PHE 1 9.660 -0.006 6.320 9 HE1 PHE 1 HE1 PHE 1 9.148 1.976 10.838 10 HE2 PHE 1 HE2 PHE 1 8.346 -1.195 8.055 11 HZ PHE 1 HZ PHE 1 8.089 -0.205 10.314 12 H DHA 2 HN DHA 2 8.304 2.665 7.605 13 HB1 DHA 2 HB1 DHA 2 8.644 4.173 10.219 14 HB2 DHA 2 HB2 DHA 2 7.172 5.279 10.254 15 H DAL 3 HN DAL 3 7.341 6.905 8.224 16 HA DAL 3 HA DAL 3 5.598 8.175 7.471 17 HB1 DAL 3 HB1 DAL 3 4.413 6.024 8.569 18 HB2 DAL 3 HB2 DAL 3 3.871 5.864 6.913 19 H LEU 4 HN LEU 4 7.001 5.597 5.772 20 HA LEU 4 HA LEU 4 6.565 6.991 3.243 21 HB2 LEU 4 HB2 LEU 4 8.754 5.736 4.374 22 HB3 LEU 4 HB1 LEU 4 8.222 4.593 3.142 23 HG LEU 4 HG LEU 4 8.726 7.547 2.672 24 HD11 LEU 4 HD11 LEU 4 10.332 5.107 1.851 25 HD12 LEU 4 HD12 LEU 4 10.801 6.268 3.093 26 HD13 LEU 4 HD13 LEU 4 10.694 6.775 1.407 27 HD21 LEU 4 HD21 LEU 4 7.750 5.269 0.966 28 HD22 LEU 4 HD22 LEU 4 8.664 6.584 0.229 29 HD23 LEU 4 HD23 LEU 4 7.145 6.923 1.059 30 H DHA 5 HN DHA 5 5.182 4.185 4.839 31 HB1 DHA 5 HB1 DHA 5 5.155 2.821 1.515 32 HB2 DHA 5 HB2 DHA 5 3.590 1.912 1.829 33 H LEU 6 HN LEU 6 2.256 4.602 3.362 34 HA LEU 6 HA LEU 6 0.179 3.259 4.121 35 HB2 LEU 6 HB2 LEU 6 0.241 2.968 6.625 36 HB3 LEU 6 HB1 LEU 6 1.273 1.876 5.713 37 HG LEU 6 HG LEU 6 2.880 4.118 6.196 38 HD11 LEU 6 HD11 LEU 6 1.284 3.414 8.670 39 HD12 LEU 6 HD12 LEU 6 1.228 4.948 7.804 40 HD13 LEU 6 HD13 LEU 6 2.704 4.460 8.636 41 HD21 LEU 6 HD21 LEU 6 3.473 2.298 8.256 42 HD22 LEU 6 HD22 LEU 6 4.220 2.365 6.665 43 HD23 LEU 6 HD23 LEU 6 2.839 1.307 6.947 44 H CYS 7 HN CYS 7 2.195 5.490 5.899 45 HA CYS 7 HA CYS 7 0.595 7.202 7.157 46 HB2 CYS 7 HB2 CYS 7 3.059 7.418 5.589 47 HB3 CYS 7 HB1 CYS 7 2.272 8.958 5.937 48 H ALA 8 HN ALA 8 0.997 7.017 3.681 49 HA ALA 8 HA ALA 8 -1.501 8.493 3.322 50 HB1 ALA 8 HB1 ALA 8 1.194 9.431 2.436 51 HB2 ALA 8 HB2 ALA 8 -0.182 10.362 3.028 52 HB3 ALA 8 HB3 ALA 8 -0.190 9.727 1.384 Start of MODEL 9 1 H1 PHE 1 H1 PHE 1 12.134 1.597 7.314 2 H2 PHE 1 H2 PHE 1 11.143 0.219 7.390 3 H3 PHE 1 H3 PHE 1 11.087 1.380 8.631 4 HA PHE 1 HA PHE 1 10.580 2.724 6.249 5 HB2 PHE 1 HB2 PHE 1 9.078 0.117 6.591 6 HB3 PHE 1 HB1 PHE 1 8.466 1.456 5.620 7 HD1 PHE 1 HD1 PHE 1 11.203 -1.017 5.965 8 HD2 PHE 1 HD2 PHE 1 9.435 2.013 3.487 9 HE1 PHE 1 HE1 PHE 1 12.638 -1.729 4.073 10 HE2 PHE 1 HE2 PHE 1 10.869 1.301 1.593 11 HZ PHE 1 HZ PHE 1 12.471 -0.571 1.886 12 H DHA 2 HN DHA 2 8.976 4.312 6.726 13 HB1 DHA 2 HB1 DHA 2 8.778 4.263 10.270 14 HB2 DHA 2 HB2 DHA 2 7.210 5.232 10.279 15 H DAL 3 HN DAL 3 7.360 6.966 8.331 16 HA DAL 3 HA DAL 3 5.632 8.178 7.521 17 HB1 DAL 3 HB1 DAL 3 4.481 6.056 8.664 18 HB2 DAL 3 HB2 DAL 3 3.953 5.800 7.014 19 H LEU 4 HN LEU 4 6.994 5.574 5.757 20 HA LEU 4 HA LEU 4 6.466 7.032 3.268 21 HB2 LEU 4 HB2 LEU 4 8.795 6.377 3.953 22 HB3 LEU 4 HB1 LEU 4 8.334 4.696 3.675 23 HG LEU 4 HG LEU 4 7.698 6.616 1.494 24 HD11 LEU 4 HD11 LEU 4 9.993 7.281 2.285 25 HD12 LEU 4 HD12 LEU 4 9.963 6.657 0.637 26 HD13 LEU 4 HD13 LEU 4 10.529 5.634 1.956 27 HD21 LEU 4 HD21 LEU 4 9.186 4.085 1.053 28 HD22 LEU 4 HD22 LEU 4 7.769 4.717 0.216 29 HD23 LEU 4 HD23 LEU 4 7.586 3.912 1.774 30 H DHA 5 HN DHA 5 5.158 4.216 4.844 31 HB1 DHA 5 HB1 DHA 5 5.135 2.808 1.538 32 HB2 DHA 5 HB2 DHA 5 3.579 1.893 1.872 33 H LEU 6 HN LEU 6 2.179 4.529 3.294 34 HA LEU 6 HA LEU 6 0.126 3.236 4.119 35 HB2 LEU 6 HB2 LEU 6 0.182 2.860 6.585 36 HB3 LEU 6 HB1 LEU 6 1.296 1.835 5.691 37 HG LEU 6 HG LEU 6 2.784 4.137 6.238 38 HD11 LEU 6 HD11 LEU 6 0.985 3.443 8.563 39 HD12 LEU 6 HD12 LEU 6 1.178 5.010 7.778 40 HD13 LEU 6 HD13 LEU 6 2.492 4.343 8.746 41 HD21 LEU 6 HD21 LEU 6 4.183 2.462 6.792 42 HD22 LEU 6 HD22 LEU 6 2.843 1.334 6.994 43 HD23 LEU 6 HD23 LEU 6 3.353 2.345 8.340 44 H CYS 7 HN CYS 7 2.242 5.502 5.695 45 HA CYS 7 HA CYS 7 0.642 7.174 7.091 46 HB2 CYS 7 HB2 CYS 7 3.148 7.299 5.614 47 HB3 CYS 7 HB1 CYS 7 2.414 8.883 5.880 48 H ALA 8 HN ALA 8 0.076 6.431 3.922 49 HA ALA 8 HA ALA 8 -0.445 8.423 2.306 50 HB1 ALA 8 HB1 ALA 8 -2.418 7.363 1.560 51 HB2 ALA 8 HB2 ALA 8 -2.808 6.769 3.174 52 HB3 ALA 8 HB3 ALA 8 -1.464 6.064 2.275 Start of MODEL 10 1 H1 PHE 1 H1 PHE 1 9.283 0.802 7.718 2 H2 PHE 1 H2 PHE 1 9.902 0.361 6.199 3 H3 PHE 1 H3 PHE 1 8.488 1.297 6.304 4 HA PHE 1 HA PHE 1 11.247 2.121 7.008 5 HB2 PHE 1 HB2 PHE 1 9.288 2.739 4.820 6 HB3 PHE 1 HB1 PHE 1 10.425 3.987 5.328 7 HD1 PHE 1 HD1 PHE 1 9.967 1.204 3.196 8 HD2 PHE 1 HD2 PHE 1 12.936 3.171 5.598 9 HE1 PHE 1 HE1 PHE 1 11.760 0.112 1.875 10 HE2 PHE 1 HE2 PHE 1 14.728 2.079 4.276 11 HZ PHE 1 HZ PHE 1 14.139 0.549 2.416 12 H DHA 2 HN DHA 2 7.724 2.993 7.047 13 HB1 DHA 2 HB1 DHA 2 8.772 4.258 10.245 14 HB2 DHA 2 HB2 DHA 2 7.368 5.451 10.295 15 H DAL 3 HN DAL 3 7.424 6.894 8.157 16 HA DAL 3 HA DAL 3 5.636 8.168 7.508 17 HB1 DAL 3 HB1 DAL 3 4.438 6.059 8.630 18 HB2 DAL 3 HB2 DAL 3 3.910 5.833 6.977 19 H LEU 4 HN LEU 4 6.991 5.585 5.754 20 HA LEU 4 HA LEU 4 6.486 7.022 3.253 21 HB2 LEU 4 HB2 LEU 4 8.803 6.447 3.879 22 HB3 LEU 4 HB1 LEU 4 8.379 4.736 3.820 23 HG LEU 4 HG LEU 4 7.534 6.106 1.398 24 HD11 LEU 4 HD11 LEU 4 9.815 6.525 0.513 25 HD12 LEU 4 HD12 LEU 4 10.483 6.187 2.110 26 HD13 LEU 4 HD13 LEU 4 9.436 7.585 1.870 27 HD21 LEU 4 HD21 LEU 4 7.924 3.610 1.892 28 HD22 LEU 4 HD22 LEU 4 9.643 3.963 1.722 29 HD23 LEU 4 HD23 LEU 4 8.552 4.218 0.360 30 H DHA 5 HN DHA 5 5.154 4.218 4.844 31 HB1 DHA 5 HB1 DHA 5 5.165 2.775 1.555 32 HB2 DHA 5 HB2 DHA 5 3.608 1.860 1.883 33 H LEU 6 HN LEU 6 2.225 4.558 3.324 34 HA LEU 6 HA LEU 6 0.151 3.251 4.111 35 HB2 LEU 6 HB2 LEU 6 0.199 2.942 6.602 36 HB3 LEU 6 HB1 LEU 6 1.269 1.868 5.709 37 HG LEU 6 HG LEU 6 2.839 4.124 6.207 38 HD11 LEU 6 HD11 LEU 6 1.044 4.905 7.747 39 HD12 LEU 6 HD12 LEU 6 2.581 4.629 8.564 40 HD13 LEU 6 HD13 LEU 6 1.282 3.444 8.708 41 HD21 LEU 6 HD21 LEU 6 2.794 1.332 7.014 42 HD22 LEU 6 HD22 LEU 6 3.381 2.351 8.322 43 HD23 LEU 6 HD23 LEU 6 4.175 2.394 6.752 44 H CYS 7 HN CYS 7 2.206 5.475 5.837 45 HA CYS 7 HA CYS 7 0.633 7.197 7.124 46 HB2 CYS 7 HB2 CYS 7 3.109 7.344 5.591 47 HB3 CYS 7 HB1 CYS 7 2.356 8.913 5.876 48 H ALA 8 HN ALA 8 1.217 7.285 3.640 49 HA ALA 8 HA ALA 8 -1.370 8.593 3.247 50 HB1 ALA 8 HB1 ALA 8 -0.577 10.592 2.601 51 HB2 ALA 8 HB2 ALA 8 0.647 9.847 1.572 52 HB3 ALA 8 HB3 ALA 8 0.973 10.103 3.286 Start of MODEL 11 1 H1 PHE 1 H1 PHE 1 9.431 2.309 4.790 2 H2 PHE 1 H2 PHE 1 7.913 2.138 5.535 3 H3 PHE 1 H3 PHE 1 8.727 0.773 4.934 4 HA PHE 1 HA PHE 1 9.492 0.471 6.983 5 HB2 PHE 1 HB2 PHE 1 10.988 3.066 6.537 6 HB3 PHE 1 HB1 PHE 1 11.502 1.682 7.502 7 HD1 PHE 1 HD1 PHE 1 12.170 -0.441 6.409 8 HD2 PHE 1 HD2 PHE 1 11.192 3.067 4.129 9 HE1 PHE 1 HE1 PHE 1 13.232 -1.446 4.406 10 HE2 PHE 1 HE2 PHE 1 12.254 2.061 2.127 11 HZ PHE 1 HZ PHE 1 13.274 -0.196 2.265 12 H DHA 2 HN DHA 2 8.727 4.009 6.598 13 HB1 DHA 2 HB1 DHA 2 8.886 4.169 10.108 14 HB2 DHA 2 HB2 DHA 2 7.426 5.288 10.228 15 H DAL 3 HN DAL 3 7.453 6.888 8.187 16 HA DAL 3 HA DAL 3 5.668 8.155 7.554 17 HB1 DAL 3 HB1 DAL 3 4.493 6.051 8.678 18 HB2 DAL 3 HB2 DAL 3 3.965 5.785 7.030 19 H LEU 4 HN LEU 4 6.970 5.583 5.740 20 HA LEU 4 HA LEU 4 6.416 7.056 3.264 21 HB2 LEU 4 HB2 LEU 4 8.759 6.378 3.993 22 HB3 LEU 4 HB1 LEU 4 8.297 4.726 3.581 23 HG LEU 4 HG LEU 4 7.475 6.380 1.418 24 HD11 LEU 4 HD11 LEU 4 9.762 7.243 0.753 25 HD12 LEU 4 HD12 LEU 4 10.287 6.924 2.406 26 HD13 LEU 4 HD13 LEU 4 9.012 8.104 2.099 27 HD21 LEU 4 HD21 LEU 4 9.861 4.519 1.643 28 HD22 LEU 4 HD22 LEU 4 9.017 4.968 0.162 29 HD23 LEU 4 HD23 LEU 4 8.202 3.984 1.378 30 H DHA 5 HN DHA 5 5.171 4.210 4.853 31 HB1 DHA 5 HB1 DHA 5 5.164 2.743 1.584 32 HB2 DHA 5 HB2 DHA 5 3.607 1.832 1.923 33 H LEU 6 HN LEU 6 2.197 4.519 3.287 34 HA LEU 6 HA LEU 6 0.126 3.253 4.094 35 HB2 LEU 6 HB2 LEU 6 0.147 2.893 6.564 36 HB3 LEU 6 HB1 LEU 6 1.253 1.846 5.685 37 HG LEU 6 HG LEU 6 2.785 4.115 6.250 38 HD11 LEU 6 HD11 LEU 6 0.780 4.688 7.775 39 HD12 LEU 6 HD12 LEU 6 2.399 4.782 8.470 40 HD13 LEU 6 HD13 LEU 6 1.375 3.385 8.805 41 HD21 LEU 6 HD21 LEU 6 3.270 2.321 8.369 42 HD22 LEU 6 HD22 LEU 6 4.128 2.401 6.836 43 HD23 LEU 6 HD23 LEU 6 2.754 1.315 7.020 44 H CYS 7 HN CYS 7 2.237 5.475 5.740 45 HA CYS 7 HA CYS 7 0.644 7.187 7.076 46 HB2 CYS 7 HB2 CYS 7 3.165 7.283 5.619 47 HB3 CYS 7 HB1 CYS 7 2.443 8.873 5.877 48 H ALA 8 HN ALA 8 0.340 6.486 3.811 49 HA ALA 8 HA ALA 8 -0.227 8.528 2.267 50 HB1 ALA 8 HB1 ALA 8 -2.368 7.407 1.577 51 HB2 ALA 8 HB2 ALA 8 -2.168 6.317 2.949 52 HB3 ALA 8 HB3 ALA 8 -0.975 6.328 1.651 Start of MODEL 12 1 H1 PHE 1 H1 PHE 1 9.578 2.100 6.978 2 H2 PHE 1 H2 PHE 1 11.090 1.524 6.462 3 H3 PHE 1 H3 PHE 1 10.152 2.497 5.433 4 HA PHE 1 HA PHE 1 11.952 3.252 7.545 5 HB2 PHE 1 HB2 PHE 1 11.702 3.866 4.947 6 HB3 PHE 1 HB1 PHE 1 10.716 5.165 5.618 7 HD1 PHE 1 HD1 PHE 1 14.092 3.723 5.411 8 HD2 PHE 1 HD2 PHE 1 11.690 6.852 7.112 9 HE1 PHE 1 HE1 PHE 1 16.148 4.950 6.055 10 HE2 PHE 1 HE2 PHE 1 13.746 8.081 7.755 11 HZ PHE 1 HZ PHE 1 15.977 7.130 7.227 12 H DHA 2 HN DHA 2 8.474 3.276 7.134 13 HB1 DHA 2 HB1 DHA 2 8.631 4.344 10.474 14 HB2 DHA 2 HB2 DHA 2 7.028 5.251 10.368 15 H DAL 3 HN DAL 3 7.308 6.997 8.398 16 HA DAL 3 HA DAL 3 5.601 8.174 7.507 17 HB1 DAL 3 HB1 DAL 3 4.463 6.012 8.620 18 HB2 DAL 3 HB2 DAL 3 3.941 5.816 6.961 19 H LEU 4 HN LEU 4 7.006 5.559 5.744 20 HA LEU 4 HA LEU 4 6.432 7.037 3.277 21 HB2 LEU 4 HB2 LEU 4 8.295 5.944 2.279 22 HB3 LEU 4 HB1 LEU 4 8.795 6.434 3.893 23 HG LEU 4 HG LEU 4 9.582 4.200 3.598 24 HD11 LEU 4 HD11 LEU 4 8.423 4.748 5.754 25 HD12 LEU 4 HD12 LEU 4 8.459 3.028 5.373 26 HD13 LEU 4 HD13 LEU 4 6.980 3.957 5.122 27 HD21 LEU 4 HD21 LEU 4 7.534 3.918 1.793 28 HD22 LEU 4 HD22 LEU 4 6.964 2.923 3.134 29 HD23 LEU 4 HD23 LEU 4 8.528 2.591 2.390 30 H DHA 5 HN DHA 5 5.194 4.183 4.844 31 HB1 DHA 5 HB1 DHA 5 5.150 2.768 1.551 32 HB2 DHA 5 HB2 DHA 5 3.587 1.865 1.886 33 H LEU 6 HN LEU 6 2.212 4.541 3.308 34 HA LEU 6 HA LEU 6 0.142 3.253 4.107 35 HB2 LEU 6 HB2 LEU 6 0.182 2.917 6.586 36 HB3 LEU 6 HB1 LEU 6 1.265 1.858 5.696 37 HG LEU 6 HG LEU 6 2.820 4.116 6.228 38 HD11 LEU 6 HD11 LEU 6 2.536 4.564 8.609 39 HD12 LEU 6 HD12 LEU 6 1.199 3.416 8.682 40 HD13 LEU 6 HD13 LEU 6 1.034 4.906 7.751 41 HD21 LEU 6 HD21 LEU 6 3.339 2.328 8.339 42 HD22 LEU 6 HD22 LEU 6 4.161 2.391 6.785 43 HD23 LEU 6 HD23 LEU 6 2.781 1.319 7.009 44 H CYS 7 HN CYS 7 2.224 5.482 5.799 45 HA CYS 7 HA CYS 7 0.613 7.193 7.100 46 HB2 CYS 7 HB2 CYS 7 3.124 7.347 5.606 47 HB3 CYS 7 HB1 CYS 7 2.370 8.912 5.919 48 H ALA 8 HN ALA 8 0.431 6.504 3.804 49 HA ALA 8 HA ALA 8 -0.204 8.536 2.278 50 HB1 ALA 8 HB1 ALA 8 -0.818 6.095 1.924 51 HB2 ALA 8 HB2 ALA 8 -1.950 7.279 1.268 52 HB3 ALA 8 HB3 ALA 8 -2.320 6.448 2.780 Start of MODEL 13 1 H1 PHE 1 H1 PHE 1 11.435 3.070 6.976 2 H2 PHE 1 H2 PHE 1 11.840 1.771 5.961 3 H3 PHE 1 H3 PHE 1 11.542 1.502 7.612 4 HA PHE 1 HA PHE 1 9.591 2.263 5.515 5 HB2 PHE 1 HB2 PHE 1 10.311 -0.179 7.004 6 HB3 PHE 1 HB1 PHE 1 8.581 0.164 6.963 7 HD1 PHE 1 HD1 PHE 1 7.314 -0.296 5.029 8 HD2 PHE 1 HD2 PHE 1 11.598 -0.101 4.766 9 HE1 PHE 1 HE1 PHE 1 7.208 -1.107 2.689 10 HE2 PHE 1 HE2 PHE 1 11.491 -0.912 2.425 11 HZ PHE 1 HZ PHE 1 9.296 -1.414 1.386 12 H DHA 2 HN DHA 2 9.047 4.341 6.590 13 HB1 DHA 2 HB1 DHA 2 8.989 4.272 10.061 14 HB2 DHA 2 HB2 DHA 2 7.445 5.272 10.185 15 H DAL 3 HN DAL 3 7.450 6.982 8.220 16 HA DAL 3 HA DAL 3 5.674 8.200 7.521 17 HB1 DAL 3 HB1 DAL 3 4.546 6.110 8.709 18 HB2 DAL 3 HB2 DAL 3 4.000 5.792 7.075 19 H LEU 4 HN LEU 4 6.991 5.614 5.743 20 HA LEU 4 HA LEU 4 6.412 7.040 3.247 21 HB2 LEU 4 HB2 LEU 4 8.583 5.333 4.252 22 HB3 LEU 4 HB1 LEU 4 8.157 5.062 2.562 23 HG LEU 4 HG LEU 4 9.912 6.868 2.986 24 HD11 LEU 4 HD11 LEU 4 9.216 7.337 0.892 25 HD12 LEU 4 HD12 LEU 4 8.130 8.528 1.606 26 HD13 LEU 4 HD13 LEU 4 7.554 6.894 1.279 27 HD21 LEU 4 HD21 LEU 4 7.721 8.772 3.596 28 HD22 LEU 4 HD22 LEU 4 9.390 8.761 4.162 29 HD23 LEU 4 HD23 LEU 4 8.196 7.711 4.922 30 H DHA 5 HN DHA 5 5.156 4.225 4.876 31 HB1 DHA 5 HB1 DHA 5 5.210 2.688 1.645 32 HB2 DHA 5 HB2 DHA 5 3.647 1.784 1.969 33 H LEU 6 HN LEU 6 2.208 4.513 3.258 34 HA LEU 6 HA LEU 6 0.105 3.294 4.011 35 HB2 LEU 6 HB2 LEU 6 0.052 2.868 6.463 36 HB3 LEU 6 HB1 LEU 6 1.185 1.836 5.602 37 HG LEU 6 HG LEU 6 2.712 4.077 6.265 38 HD11 LEU 6 HD11 LEU 6 2.236 4.732 8.467 39 HD12 LEU 6 HD12 LEU 6 1.197 3.337 8.753 40 HD13 LEU 6 HD13 LEU 6 0.645 4.648 7.711 41 HD21 LEU 6 HD21 LEU 6 4.013 2.350 6.900 42 HD22 LEU 6 HD22 LEU 6 2.624 1.271 6.993 43 HD23 LEU 6 HD23 LEU 6 3.075 2.246 8.385 44 H CYS 7 HN CYS 7 2.214 5.440 5.754 45 HA CYS 7 HA CYS 7 0.686 7.138 7.133 46 HB2 CYS 7 HB2 CYS 7 3.159 7.240 5.633 47 HB3 CYS 7 HB1 CYS 7 2.440 8.837 5.859 48 H ALA 8 HN ALA 8 0.987 7.095 3.636 49 HA ALA 8 HA ALA 8 -1.413 8.762 3.438 50 HB1 ALA 8 HB1 ALA 8 0.312 10.424 3.322 51 HB2 ALA 8 HB2 ALA 8 -0.284 10.170 1.681 52 HB3 ALA 8 HB3 ALA 8 1.248 9.454 2.185 Start of MODEL 14 1 H1 PHE 1 H1 PHE 1 10.882 0.559 5.872 2 H2 PHE 1 H2 PHE 1 10.136 0.913 7.357 3 H3 PHE 1 H3 PHE 1 11.416 1.880 6.792 4 HA PHE 1 HA PHE 1 10.136 3.025 5.343 5 HB2 PHE 1 HB2 PHE 1 7.973 0.972 5.165 6 HB3 PHE 1 HB1 PHE 1 8.605 2.047 3.919 7 HD1 PHE 1 HD1 PHE 1 11.362 1.619 3.673 8 HD2 PHE 1 HD2 PHE 1 8.355 -1.276 4.690 9 HE1 PHE 1 HE1 PHE 1 12.831 -0.198 2.843 10 HE2 PHE 1 HE2 PHE 1 9.826 -3.094 3.860 11 HZ PHE 1 HZ PHE 1 12.064 -2.554 2.937 12 H DHA 2 HN DHA 2 9.664 4.497 7.077 13 HB1 DHA 2 HB1 DHA 2 8.944 4.196 10.065 14 HB2 DHA 2 HB2 DHA 2 7.339 5.102 10.160 15 H DAL 3 HN DAL 3 7.409 6.969 8.317 16 HA DAL 3 HA DAL 3 5.679 8.192 7.532 17 HB1 DAL 3 HB1 DAL 3 4.538 6.105 8.709 18 HB2 DAL 3 HB2 DAL 3 4.007 5.787 7.069 19 H LEU 4 HN LEU 4 7.004 5.608 5.734 20 HA LEU 4 HA LEU 4 6.398 7.049 3.254 21 HB2 LEU 4 HB2 LEU 4 8.595 5.362 4.228 22 HB3 LEU 4 HB1 LEU 4 8.152 5.084 2.543 23 HG LEU 4 HG LEU 4 9.894 6.908 2.946 24 HD11 LEU 4 HD11 LEU 4 7.454 6.981 1.309 25 HD12 LEU 4 HD12 LEU 4 9.130 7.264 0.839 26 HD13 LEU 4 HD13 LEU 4 8.182 8.569 1.553 27 HD21 LEU 4 HD21 LEU 4 8.156 7.738 4.888 28 HD22 LEU 4 HD22 LEU 4 7.716 8.813 3.562 29 HD23 LEU 4 HD23 LEU 4 9.378 8.775 4.151 30 H DHA 5 HN DHA 5 5.157 4.231 4.876 31 HB1 DHA 5 HB1 DHA 5 5.193 2.702 1.644 32 HB2 DHA 5 HB2 DHA 5 3.631 1.800 1.973 33 H LEU 6 HN LEU 6 2.188 4.501 3.253 34 HA LEU 6 HA LEU 6 0.094 3.288 4.022 35 HB2 LEU 6 HB2 LEU 6 0.041 2.850 6.466 36 HB3 LEU 6 HB1 LEU 6 1.182 1.826 5.608 37 HG LEU 6 HG LEU 6 2.695 4.074 6.284 38 HD11 LEU 6 HD11 LEU 6 1.107 3.312 8.733 39 HD12 LEU 6 HD12 LEU 6 0.662 4.685 7.720 40 HD13 LEU 6 HD13 LEU 6 2.225 4.661 8.536 41 HD21 LEU 6 HD21 LEU 6 4.008 2.363 6.929 42 HD22 LEU 6 HD22 LEU 6 2.630 1.265 6.987 43 HD23 LEU 6 HD23 LEU 6 3.050 2.226 8.398 44 H CYS 7 HN CYS 7 2.220 5.434 5.741 45 HA CYS 7 HA CYS 7 0.681 7.153 7.111 46 HB2 CYS 7 HB2 CYS 7 3.170 7.215 5.622 47 HB3 CYS 7 HB1 CYS 7 2.464 8.820 5.829 48 H ALA 8 HN ALA 8 0.444 6.563 3.771 49 HA ALA 8 HA ALA 8 -1.538 8.697 3.511 50 HB1 ALA 8 HB1 ALA 8 0.668 9.607 2.742 51 HB2 ALA 8 HB2 ALA 8 -0.573 9.578 1.488 52 HB3 ALA 8 HB3 ALA 8 0.694 8.351 1.504 Start of MODEL 15 1 H1 PHE 1 H1 PHE 1 12.654 1.722 7.356 2 H2 PHE 1 H2 PHE 1 11.389 0.590 7.424 3 H3 PHE 1 H3 PHE 1 11.608 1.700 8.691 4 HA PHE 1 HA PHE 1 11.358 3.355 6.596 5 HB2 PHE 1 HB2 PHE 1 9.914 0.789 6.047 6 HB3 PHE 1 HB1 PHE 1 9.133 2.306 5.600 7 HD1 PHE 1 HD1 PHE 1 12.732 1.262 5.601 8 HD2 PHE 1 HD2 PHE 1 9.369 2.597 3.284 9 HE1 PHE 1 HE1 PHE 1 14.176 1.412 3.591 10 HE2 PHE 1 HE2 PHE 1 10.815 2.744 1.273 11 HZ PHE 1 HZ PHE 1 13.217 2.152 1.426 12 H DHA 2 HN DHA 2 9.014 4.443 6.632 13 HB1 DHA 2 HB1 DHA 2 8.765 4.234 10.258 14 HB2 DHA 2 HB2 DHA 2 7.128 5.081 10.224 15 H DAL 3 HN DAL 3 7.299 6.979 8.426 16 HA DAL 3 HA DAL 3 5.620 8.174 7.516 17 HB1 DAL 3 HB1 DAL 3 4.484 6.032 8.644 18 HB2 DAL 3 HB2 DAL 3 3.965 5.796 6.988 19 H LEU 4 HN LEU 4 6.998 5.568 5.758 20 HA LEU 4 HA LEU 4 6.479 7.038 3.287 21 HB2 LEU 4 HB2 LEU 4 8.801 6.423 3.925 22 HB3 LEU 4 HB1 LEU 4 8.363 4.724 3.794 23 HG LEU 4 HG LEU 4 9.532 5.842 1.772 24 HD11 LEU 4 HD11 LEU 4 7.260 4.708 0.470 25 HD12 LEU 4 HD12 LEU 4 7.525 3.824 1.973 26 HD13 LEU 4 HD13 LEU 4 8.823 3.961 0.791 27 HD21 LEU 4 HD21 LEU 4 6.724 6.768 1.142 28 HD22 LEU 4 HD22 LEU 4 8.216 7.137 0.283 29 HD23 LEU 4 HD23 LEU 4 7.921 7.838 1.872 30 H DHA 5 HN DHA 5 5.203 4.173 4.842 31 HB1 DHA 5 HB1 DHA 5 5.108 2.828 1.515 32 HB2 DHA 5 HB2 DHA 5 3.544 1.928 1.852 33 H LEU 6 HN LEU 6 2.169 4.531 3.297 34 HA LEU 6 HA LEU 6 0.122 3.222 4.138 35 HB2 LEU 6 HB2 LEU 6 0.203 2.864 6.606 36 HB3 LEU 6 HB1 LEU 6 1.317 1.841 5.710 37 HG LEU 6 HG LEU 6 2.789 4.158 6.219 38 HD11 LEU 6 HD11 LEU 6 1.051 3.460 8.590 39 HD12 LEU 6 HD12 LEU 6 1.156 5.013 7.761 40 HD13 LEU 6 HD13 LEU 6 2.522 4.426 8.709 41 HD21 LEU 6 HD21 LEU 6 3.411 2.407 8.331 42 HD22 LEU 6 HD22 LEU 6 4.203 2.489 6.762 43 HD23 LEU 6 HD23 LEU 6 2.870 1.364 7.019 44 H CYS 7 HN CYS 7 2.239 5.508 5.680 45 HA CYS 7 HA CYS 7 0.638 7.175 7.084 46 HB2 CYS 7 HB2 CYS 7 3.143 7.312 5.598 47 HB3 CYS 7 HB1 CYS 7 2.405 8.890 5.888 48 H ALA 8 HN ALA 8 -0.018 6.413 3.951 49 HA ALA 8 HA ALA 8 -0.523 8.398 2.312 50 HB1 ALA 8 HB1 ALA 8 -1.624 6.368 1.831 51 HB2 ALA 8 HB2 ALA 8 -2.932 7.528 2.068 52 HB3 ALA 8 HB3 ALA 8 -2.515 6.394 3.352
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