NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3283 | 1dfy | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 18.842 16.299 24.927 2 2H GLY 1 2H GLY 1 17.809 17.453 25.588 3 3H GLY 1 3H GLY 1 19.137 17.946 24.660 4 1HA GLY 1 2HA GLY 1 17.606 16.231 23.042 5 2HA GLY 1 1HA GLY 1 16.559 17.504 23.727 6 H CYS 2 H CYS 2 16.859 17.967 21.149 7 HA CYS 2 HA CYS 2 18.957 20.059 20.956 8 1HB CYS 2 2HB CYS 2 18.425 17.738 19.153 9 2HB CYS 2 1HB CYS 2 18.610 19.278 18.358 10 HA HYP 3 HA HYP 3 19.248 21.728 19.312 11 1HB HYP 3 1HB HYP 3 18.897 23.680 18.180 12 2HB HYP 3 2HB HYP 3 18.486 24.453 19.691 13 1HD HYP 3 1HD HYP 3 15.758 21.802 18.059 14 2HD HYP 3 2HD HYP 3 15.278 22.425 19.652 15 HOD HYP 3 HOD HYP 3 15.939 24.359 17.009 16 HG HYP 3 HG HYP 3 16.238 24.525 19.111 17 H DTR 4 HN DTR 4 20.185 23.769 20.861 18 HA DTR 4 HA DTR 4 19.416 22.980 23.657 19 1HB DTR 4 1HB DTR 4 20.321 25.376 24.190 20 2HB DTR 4 2HB DTR 4 18.786 25.261 23.400 21 HD1 DTR 4 HD1 DTR 4 18.555 26.342 21.014 22 HE1 DTR 4 HE1 DTR 4 20.252 27.583 19.630 23 HZ2 DTR 4 HZ2 DTR 4 23.150 28.109 19.580 24 HH2 DTR 4 HH2 DTR 4 25.134 27.529 20.936 25 HZ3 DTR 4 HZ3 DTR 4 24.881 26.149 22.979 26 HE3 DTR 4 HE3 DTR 4 22.600 25.316 23.621 27 H GLN 5 H GLN 5 21.699 22.392 21.451 28 HA GLN 5 HA GLN 5 23.821 22.256 23.530 29 1HB GLN 5 2HB GLN 5 24.061 20.296 21.309 30 2HB GLN 5 1HB GLN 5 24.279 20.109 23.028 31 1HG GLN 5 2HG GLN 5 21.472 20.238 21.880 32 2HG GLN 5 1HG GLN 5 22.383 18.764 21.999 33 1HE2 GLN 5 1HE2 GLN 5 23.220 18.188 24.241 34 2HE2 GLN 5 2HE2 GLN 5 22.347 18.693 25.570 35 HA PRO 6 HA PRO 6 26.016 25.100 21.086 36 1HB PRO 6 2HB PRO 6 28.652 24.108 21.702 37 2HB PRO 6 1HB PRO 6 27.819 25.490 22.368 38 1HG PRO 6 2HG PRO 6 28.253 22.875 23.601 39 2HG PRO 6 1HG PRO 6 27.590 24.328 24.343 40 1HD PRO 6 2HD PRO 6 26.109 21.984 23.640 41 2HD PRO 6 1HD PRO 6 25.440 23.546 24.125 42 H TRP 7 H TRP 7 26.448 21.903 20.271 43 HA TRP 7 HA TRP 7 27.706 22.626 17.648 44 1HB TRP 7 2HB TRP 7 29.095 20.760 17.767 45 2HB TRP 7 1HB TRP 7 29.100 21.247 19.446 46 HD1 TRP 7 HD1 TRP 7 28.253 18.429 17.187 47 HE1 TRP 7 HE1 TRP 7 27.127 16.633 18.553 48 HE3 TRP 7 HE3 TRP 7 27.372 20.958 21.297 49 HZ2 TRP 7 HZ2 TRP 7 25.943 16.237 21.190 50 HZ3 TRP 7 HZ3 TRP 7 26.315 19.942 23.325 51 HH2 TRP 7 HH2 TRP 7 25.579 17.563 23.242 52 H CY3 8 H CYS 8 24.923 21.932 18.948 53 HA CY3 8 HA CYS 8 24.232 19.593 17.658 54 1HB CY3 8 1HB CYS 8 22.312 21.872 18.371 55 2HB CY3 8 2HB CYS 8 22.796 20.578 19.439 56 1HN1 CY3 8 1HN CYS 8 25.104 20.044 15.343 57 2HN1 CY3 8 2HN CYS 8 24.217 20.975 14.227 Start of MODEL 2 1 1H GLY 1 1H GLY 1 15.578 16.232 23.585 2 2H GLY 1 2H GLY 1 16.445 17.604 24.062 3 3H GLY 1 3H GLY 1 16.844 16.086 24.683 4 1HA GLY 1 2HA GLY 1 18.307 15.796 23.067 5 2HA GLY 1 1HA GLY 1 16.998 15.912 21.888 6 H CYS 2 H CYS 2 17.418 17.528 20.445 7 HA CYS 2 HA CYS 2 18.873 19.938 21.413 8 1HB CYS 2 2HB CYS 2 18.709 18.534 18.731 9 2HB CYS 2 1HB CYS 2 19.328 20.123 18.819 10 HA HYP 3 HA HYP 3 19.287 21.892 19.557 11 1HB HYP 3 1HB HYP 3 18.945 23.956 18.626 12 2HB HYP 3 2HB HYP 3 18.256 24.552 20.096 13 1HD HYP 3 1HD HYP 3 15.607 21.793 18.609 14 2HD HYP 3 2HD HYP 3 15.382 22.613 20.158 15 HOD HYP 3 HOD HYP 3 16.102 23.314 16.973 16 HG HYP 3 HG HYP 3 16.183 24.529 18.967 17 H DTR 4 HN DTR 4 20.226 23.955 21.033 18 HA DTR 4 HA DTR 4 19.795 23.066 23.867 19 1HB DTR 4 1HB DTR 4 20.487 25.477 24.444 20 2HB DTR 4 2HB DTR 4 18.932 25.258 23.696 21 HD1 DTR 4 HD1 DTR 4 18.462 26.590 21.512 22 HE1 DTR 4 HE1 DTR 4 19.956 28.057 20.108 23 HZ2 DTR 4 HZ2 DTR 4 22.760 28.756 19.823 24 HH2 DTR 4 HH2 DTR 4 24.925 28.195 20.899 25 HZ3 DTR 4 HZ3 DTR 4 24.978 26.590 22.785 26 HE3 DTR 4 HE3 DTR 4 22.856 25.573 23.601 27 H GLN 5 H GLN 5 22.082 22.823 21.515 28 HA GLN 5 HA GLN 5 24.303 23.113 23.479 29 1HB GLN 5 2HB GLN 5 24.113 20.749 21.558 30 2HB GLN 5 1HB GLN 5 25.221 20.975 22.886 31 1HG GLN 5 2HG GLN 5 22.263 20.446 23.161 32 2HG GLN 5 1HG GLN 5 23.555 19.372 23.561 33 1HE2 GLN 5 1HE2 GLN 5 21.648 20.080 25.505 34 2HE2 GLN 5 2HE2 GLN 5 22.397 21.022 26.687 35 HA PRO 6 HA PRO 6 26.141 25.485 20.488 36 1HB PRO 6 2HB PRO 6 28.906 24.847 20.823 37 2HB PRO 6 1HB PRO 6 28.014 26.080 21.677 38 1HG PRO 6 2HG PRO 6 28.835 23.410 22.670 39 2HG PRO 6 1HG PRO 6 28.402 24.825 23.597 40 1HD PRO 6 2HD PRO 6 26.752 22.549 23.232 41 2HD PRO 6 1HD PRO 6 26.187 24.133 23.779 42 H TRP 7 H TRP 7 26.549 22.272 20.139 43 HA TRP 7 HA TRP 7 27.333 22.563 17.240 44 1HB TRP 7 2HB TRP 7 28.813 20.770 17.373 45 2HB TRP 7 1HB TRP 7 29.117 21.501 18.952 46 HD1 TRP 7 HD1 TRP 7 27.919 18.376 17.316 47 HE1 TRP 7 HE1 TRP 7 27.250 16.755 19.141 48 HE3 TRP 7 HE3 TRP 7 27.913 21.451 21.212 49 HZ2 TRP 7 HZ2 TRP 7 26.769 16.691 21.970 50 HZ3 TRP 7 HZ3 TRP 7 27.380 20.634 23.524 51 HH2 TRP 7 HH2 TRP 7 26.788 18.275 23.881 52 H CY3 8 H CYS 8 25.055 21.719 19.425 53 HA CY3 8 HA CYS 8 24.028 19.383 18.940 54 1HB CY3 8 1HB CYS 8 21.729 21.047 18.386 55 2HB CY3 8 2HB CYS 8 22.769 22.002 19.395 56 1HN1 CY3 8 1HN CYS 8 23.176 21.931 16.580 57 2HN1 CY3 8 2HN CYS 8 22.924 20.870 15.270 Start of MODEL 3 1 1H GLY 1 1H GLY 1 19.130 16.040 24.185 2 2H GLY 1 2H GLY 1 20.102 16.929 23.150 3 3H GLY 1 3H GLY 1 19.717 15.357 22.709 4 1HA GLY 1 2HA GLY 1 17.891 16.087 21.682 5 2HA GLY 1 1HA GLY 1 17.362 16.813 23.233 6 H CYS 2 H CYS 2 17.388 17.947 20.396 7 HA CYS 2 HA CYS 2 18.914 20.416 20.996 8 1HB CYS 2 2HB CYS 2 18.543 19.196 18.255 9 2HB CYS 2 1HB CYS 2 19.612 20.490 18.705 10 HA HYP 3 HA HYP 3 19.083 22.461 19.444 11 1HB HYP 3 1HB HYP 3 18.551 24.617 18.827 12 2HB HYP 3 2HB HYP 3 17.779 24.894 20.369 13 1HD HYP 3 1HD HYP 3 15.571 22.131 18.275 14 2HD HYP 3 2HD HYP 3 15.094 22.607 19.898 15 HOD HYP 3 HOD HYP 3 16.907 23.273 17.197 16 HG HYP 3 HG HYP 3 15.719 24.848 19.235 17 H DTR 4 HN DTR 4 20.008 24.243 21.152 18 HA DTR 4 HA DTR 4 19.505 23.113 23.881 19 1HB DTR 4 1HB DTR 4 20.295 25.452 24.669 20 2HB DTR 4 2HB DTR 4 18.690 25.303 24.012 21 HD1 DTR 4 HD1 DTR 4 18.100 26.866 22.019 22 HE1 DTR 4 HE1 DTR 4 19.508 28.381 20.621 23 HZ2 DTR 4 HZ2 DTR 4 22.311 29.033 20.127 24 HH2 DTR 4 HH2 DTR 4 24.523 28.321 20.952 25 HZ3 DTR 4 HZ3 DTR 4 24.720 26.583 22.700 26 HE3 DTR 4 HE3 DTR 4 22.623 25.558 23.617 27 H GLN 5 H GLN 5 21.856 22.920 21.637 28 HA GLN 5 HA GLN 5 24.053 23.223 23.619 29 1HB GLN 5 2HB GLN 5 24.122 20.749 21.867 30 2HB GLN 5 1HB GLN 5 24.814 21.032 23.421 31 1HG GLN 5 2HG GLN 5 21.851 20.621 23.022 32 2HG GLN 5 1HG GLN 5 22.986 19.382 23.512 33 1HE2 GLN 5 1HE2 GLN 5 20.701 20.488 25.083 34 2HE2 GLN 5 2HE2 GLN 5 21.392 21.085 26.513 35 HA PRO 6 HA PRO 6 25.945 25.330 20.308 36 1HB PRO 6 2HB PRO 6 28.664 24.576 20.699 37 2HB PRO 6 1HB PRO 6 27.837 25.965 21.348 38 1HG PRO 6 2HG PRO 6 28.564 23.460 22.738 39 2HG PRO 6 1HG PRO 6 28.133 25.019 23.433 40 1HD PRO 6 2HD PRO 6 26.463 22.734 23.385 41 2HD PRO 6 1HD PRO 6 25.938 24.371 23.714 42 H TRP 7 H TRP 7 26.495 22.021 20.379 43 HA TRP 7 HA TRP 7 27.187 21.916 17.451 44 1HB TRP 7 2HB TRP 7 28.725 20.191 17.882 45 2HB TRP 7 1HB TRP 7 28.961 21.107 19.354 46 HD1 TRP 7 HD1 TRP 7 27.860 17.777 18.072 47 HE1 TRP 7 HE1 TRP 7 27.115 16.371 20.040 48 HE3 TRP 7 HE3 TRP 7 27.651 21.297 21.537 49 HZ2 TRP 7 HZ2 TRP 7 26.408 16.715 22.861 50 HZ3 TRP 7 HZ3 TRP 7 26.970 20.818 23.899 51 HH2 TRP 7 HH2 TRP 7 26.376 18.520 24.525 52 H CY3 8 H CYS 8 24.716 21.644 19.428 53 HA CY3 8 HA CYS 8 23.906 19.034 19.213 54 1HB CY3 8 1HB CYS 8 21.690 21.049 19.033 55 2HB CY3 8 2HB CYS 8 22.822 21.336 20.304 56 1HN1 CY3 8 1HN CYS 8 24.395 18.417 16.934 57 2HN1 CY3 8 2HN CYS 8 23.308 18.744 15.636 Start of MODEL 4 1 1H GLY 1 1H GLY 1 17.198 17.211 24.502 2 2H GLY 1 2H GLY 1 17.260 15.512 24.462 3 3H GLY 1 3H GLY 1 15.783 16.296 24.330 4 1HA GLY 1 2HA GLY 1 17.551 15.619 22.238 5 2HA GLY 1 1HA GLY 1 15.971 16.424 22.136 6 H CYS 2 H CYS 2 17.111 17.658 20.401 7 HA CYS 2 HA CYS 2 18.772 19.903 21.464 8 1HB CYS 2 2HB CYS 2 18.546 18.477 18.786 9 2HB CYS 2 1HB CYS 2 19.113 20.103 18.775 10 HA HYP 3 HA HYP 3 19.174 21.905 19.580 11 1HB HYP 3 1HB HYP 3 18.752 23.958 18.640 12 2HB HYP 3 2HB HYP 3 18.290 24.602 20.206 13 1HD HYP 3 1HD HYP 3 15.342 21.980 19.027 14 2HD HYP 3 2HD HYP 3 15.388 22.732 20.598 15 HOD HYP 3 HOD HYP 3 16.184 22.731 17.530 16 HG HYP 3 HG HYP 3 16.077 24.689 19.375 17 H DTR 4 HN DTR 4 20.302 23.870 21.069 18 HA DTR 4 HA DTR 4 19.929 22.965 23.897 19 1HB DTR 4 1HB DTR 4 20.654 25.349 24.512 20 2HB DTR 4 2HB DTR 4 19.082 25.188 23.763 21 HD1 DTR 4 HD1 DTR 4 18.662 26.525 21.582 22 HE1 DTR 4 HE1 DTR 4 20.192 27.919 20.145 23 HZ2 DTR 4 HZ2 DTR 4 23.029 28.574 19.897 24 HH2 DTR 4 HH2 DTR 4 25.156 27.993 20.985 25 HZ3 DTR 4 HZ3 DTR 4 25.161 26.404 22.912 26 HE3 DTR 4 HE3 DTR 4 23.011 25.443 23.693 27 H GLN 5 H GLN 5 22.177 22.728 21.504 28 HA GLN 5 HA GLN 5 24.425 22.950 23.454 29 1HB GLN 5 2HB GLN 5 23.852 20.666 21.492 30 2HB GLN 5 1HB GLN 5 25.390 20.851 22.291 31 1HG GLN 5 2HG GLN 5 22.699 20.388 23.687 32 2HG GLN 5 1HG GLN 5 24.002 19.228 23.524 33 1HE2 GLN 5 1HE2 GLN 5 26.209 20.700 24.207 34 2HE2 GLN 5 2HE2 GLN 5 26.123 21.260 25.799 35 HA PRO 6 HA PRO 6 25.919 25.623 20.377 36 1HB PRO 6 2HB PRO 6 28.749 25.165 20.758 37 2HB PRO 6 1HB PRO 6 27.760 26.425 21.498 38 1HG PRO 6 2HG PRO 6 28.754 23.902 22.705 39 2HG PRO 6 1HG PRO 6 28.147 25.330 23.520 40 1HD PRO 6 2HD PRO 6 26.761 22.875 23.256 41 2HD PRO 6 1HD PRO 6 26.029 24.408 23.701 42 H TRP 7 H TRP 7 26.632 22.408 20.124 43 HA TRP 7 HA TRP 7 27.393 22.689 17.246 44 1HB TRP 7 2HB TRP 7 29.006 21.023 17.422 45 2HB TRP 7 1HB TRP 7 29.256 21.876 18.928 46 HD1 TRP 7 HD1 TRP 7 28.322 18.580 17.509 47 HE1 TRP 7 HE1 TRP 7 27.954 16.981 19.444 48 HE3 TRP 7 HE3 TRP 7 28.117 21.813 21.153 49 HZ2 TRP 7 HZ2 TRP 7 27.602 17.066 22.363 50 HZ3 TRP 7 HZ3 TRP 7 27.851 21.175 23.562 51 HH2 TRP 7 HH2 TRP 7 27.530 18.782 24.146 52 H CY3 8 H CYS 8 25.084 21.821 19.260 53 HA CY3 8 HA CYS 8 24.325 19.405 19.034 54 1HB CY3 8 1HB CYS 8 21.927 20.849 18.066 55 2HB CY3 8 2HB CYS 8 22.832 21.933 19.071 56 1HN1 CY3 8 1HN CYS 8 24.456 17.898 17.352 57 2HN1 CY3 8 2HN CYS 8 23.940 18.146 15.739 Start of MODEL 5 1 1H GLY 1 1H GLY 1 16.848 16.473 24.861 2 2H GLY 1 2H GLY 1 15.782 16.286 23.558 3 3H GLY 1 3H GLY 1 16.422 17.818 23.951 4 1HA GLY 1 2HA GLY 1 18.609 16.181 23.484 5 2HA GLY 1 1HA GLY 1 17.455 15.916 22.150 6 H CYS 2 H CYS 2 18.029 17.404 20.537 7 HA CYS 2 HA CYS 2 18.940 20.120 21.355 8 1HB CYS 2 2HB CYS 2 18.925 18.521 18.766 9 2HB CYS 2 1HB CYS 2 19.234 20.217 18.725 10 HA HYP 3 HA HYP 3 18.893 22.096 19.571 11 1HB HYP 3 1HB HYP 3 17.929 23.932 18.610 12 2HB HYP 3 2HB HYP 3 17.730 24.575 20.218 13 1HD HYP 3 1HD HYP 3 15.192 21.559 18.936 14 2HD HYP 3 2HD HYP 3 14.993 21.940 20.656 15 HOD HYP 3 HOD HYP 3 14.808 24.267 18.146 16 HG HYP 3 HG HYP 3 15.408 24.222 20.162 17 H DTR 4 HN DTR 4 20.031 23.812 20.910 18 HA DTR 4 HA DTR 4 19.677 23.194 23.828 19 1HB DTR 4 1HB DTR 4 20.553 25.557 24.232 20 2HB DTR 4 2HB DTR 4 19.001 25.473 23.439 21 HD1 DTR 4 HD1 DTR 4 18.782 26.521 21.079 22 HE1 DTR 4 HE1 DTR 4 20.486 27.647 19.586 23 HZ2 DTR 4 HZ2 DTR 4 23.375 28.065 19.443 24 HH2 DTR 4 HH2 DTR 4 25.393 27.508 20.761 25 HZ3 DTR 4 HZ3 DTR 4 25.178 26.188 22.846 26 HE3 DTR 4 HE3 DTR 4 22.916 25.459 23.607 27 H GLN 5 H GLN 5 21.985 22.829 21.321 28 HA GLN 5 HA GLN 5 24.127 22.829 23.399 29 1HB GLN 5 2HB GLN 5 23.939 20.703 21.228 30 2HB GLN 5 1HB GLN 5 24.922 20.707 22.673 31 1HG GLN 5 2HG GLN 5 21.867 20.601 22.799 32 2HG GLN 5 1HG GLN 5 22.884 19.184 22.795 33 1HE2 GLN 5 1HE2 GLN 5 24.943 19.783 24.497 34 2HE2 GLN 5 2HE2 GLN 5 24.326 20.160 26.060 35 HA PRO 6 HA PRO 6 26.403 25.367 20.760 36 1HB PRO 6 2HB PRO 6 28.998 24.157 21.170 37 2HB PRO 6 1HB PRO 6 28.378 25.611 21.897 38 1HG PRO 6 2HG PRO 6 28.675 22.982 23.133 39 2HG PRO 6 1HG PRO 6 28.188 24.487 23.902 40 1HD PRO 6 2HD PRO 6 26.483 22.256 23.332 41 2HD PRO 6 1HD PRO 6 25.984 23.855 23.900 42 H TRP 7 H TRP 7 26.863 22.062 20.296 43 HA TRP 7 HA TRP 7 27.660 22.451 17.429 44 1HB TRP 7 2HB TRP 7 28.932 20.485 17.574 45 2HB TRP 7 1HB TRP 7 29.182 21.100 19.195 46 HD1 TRP 7 HD1 TRP 7 27.752 18.252 17.289 47 HE1 TRP 7 HE1 TRP 7 26.731 16.621 18.925 48 HE3 TRP 7 HE3 TRP 7 27.785 21.032 21.379 49 HZ2 TRP 7 HZ2 TRP 7 25.985 16.451 21.723 50 HZ3 TRP 7 HZ3 TRP 7 26.985 20.188 23.585 51 HH2 TRP 7 HH2 TRP 7 26.035 17.889 23.735 52 H CY3 8 H CYS 8 25.087 21.855 19.270 53 HA CY3 8 HA CYS 8 23.890 19.644 18.717 54 1HB CY3 8 1HB CYS 8 21.785 21.419 17.887 55 2HB CY3 8 2HB CYS 8 22.851 22.456 18.786 56 1HN1 CY3 8 1HN CYS 8 24.113 22.074 16.127 57 2HN1 CY3 8 2HN CYS 8 23.684 21.030 14.857 Start of MODEL 6 1 1H GLY 1 1H GLY 1 18.861 17.490 24.215 2 2H GLY 1 2H GLY 1 18.827 15.777 24.083 3 3H GLY 1 3H GLY 1 17.491 16.643 24.694 4 1HA GLY 1 2HA GLY 1 18.001 15.932 22.036 5 2HA GLY 1 1HA GLY 1 16.665 16.907 22.692 6 H CYS 2 H CYS 2 17.216 17.910 20.413 7 HA CYS 2 HA CYS 2 19.057 20.204 20.854 8 1HB CYS 2 2HB CYS 2 18.533 18.666 18.286 9 2HB CYS 2 1HB CYS 2 19.538 20.084 18.418 10 HA HYP 3 HA HYP 3 19.393 22.293 19.474 11 1HB HYP 3 1HB HYP 3 18.897 24.352 18.726 12 2HB HYP 3 2HB HYP 3 18.476 24.796 20.352 13 1HD HYP 3 1HD HYP 3 16.048 22.388 18.087 14 2HD HYP 3 2HD HYP 3 15.352 22.538 19.714 15 HOD HYP 3 HOD HYP 3 16.590 25.698 18.113 16 HG HYP 3 HG HYP 3 16.206 24.727 19.977 17 H DTR 4 HN DTR 4 20.194 24.086 21.257 18 HA DTR 4 HA DTR 4 19.697 22.886 23.943 19 1HB DTR 4 1HB DTR 4 20.412 25.277 24.724 20 2HB DTR 4 2HB DTR 4 18.821 25.041 24.094 21 HD1 DTR 4 HD1 DTR 4 18.171 26.448 21.962 22 HE1 DTR 4 HE1 DTR 4 19.522 28.055 20.566 23 HZ2 DTR 4 HZ2 DTR 4 22.335 28.879 20.210 24 HH2 DTR 4 HH2 DTR 4 24.532 28.360 21.204 25 HZ3 DTR 4 HZ3 DTR 4 24.713 26.663 23.006 26 HE3 DTR 4 HE3 DTR 4 22.641 25.527 23.826 27 H GLN 5 H GLN 5 21.942 22.672 21.710 28 HA GLN 5 HA GLN 5 24.211 22.899 23.619 29 1HB GLN 5 2HB GLN 5 23.282 20.482 22.028 30 2HB GLN 5 1HB GLN 5 25.001 20.730 22.149 31 1HG GLN 5 2HG GLN 5 24.533 19.378 24.029 32 2HG GLN 5 1HG GLN 5 24.612 20.943 24.735 33 1HE2 GLN 5 1HE2 GLN 5 21.692 20.281 22.883 34 2HE2 GLN 5 2HE2 GLN 5 20.700 20.020 24.227 35 HA PRO 6 HA PRO 6 25.773 25.452 20.482 36 1HB PRO 6 2HB PRO 6 28.567 24.738 20.688 37 2HB PRO 6 1HB PRO 6 27.755 26.104 21.389 38 1HG PRO 6 2HG PRO 6 28.634 23.655 22.736 39 2HG PRO 6 1HG PRO 6 28.042 25.143 23.462 40 1HD PRO 6 2HD PRO 6 26.612 22.666 23.310 41 2HD PRO 6 1HD PRO 6 25.942 24.251 23.786 42 H TRP 7 H TRP 7 26.579 22.191 20.266 43 HA TRP 7 HA TRP 7 27.010 22.339 17.286 44 1HB TRP 7 2HB TRP 7 28.679 20.725 17.426 45 2HB TRP 7 1HB TRP 7 28.996 21.571 18.916 46 HD1 TRP 7 HD1 TRP 7 28.119 18.257 17.547 47 HE1 TRP 7 HE1 TRP 7 27.679 16.664 19.407 48 HE3 TRP 7 HE3 TRP 7 27.771 21.487 21.301 49 HZ2 TRP 7 HZ2 TRP 7 27.196 16.678 22.286 50 HZ3 TRP 7 HZ3 TRP 7 27.325 20.724 23.652 51 HH2 TRP 7 HH2 TRP 7 27.019 18.318 24.129 52 H CY3 8 H CYS 8 24.751 21.744 19.368 53 HA CY3 8 HA CYS 8 24.107 19.105 19.041 54 1HB CY3 8 1HB CYS 8 21.718 20.919 18.877 55 2HB CY3 8 2HB CYS 8 22.804 21.318 20.160 56 1HN1 CY3 8 1HN CYS 8 22.086 18.218 17.668 57 2HN1 CY3 8 2HN CYS 8 22.022 18.703 16.041 Start of MODEL 7 1 1H GLY 1 1H GLY 1 19.173 15.144 22.586 2 2H GLY 1 2H GLY 1 19.202 16.248 21.334 3 3H GLY 1 3H GLY 1 17.889 15.216 21.524 4 1HA GLY 1 2HA GLY 1 16.862 16.765 22.805 5 2HA GLY 1 1HA GLY 1 18.228 16.655 23.930 6 H CYS 2 H CYS 2 17.364 17.941 20.743 7 HA CYS 2 HA CYS 2 18.969 20.363 21.269 8 1HB CYS 2 2HB CYS 2 18.506 19.111 18.560 9 2HB CYS 2 1HB CYS 2 19.677 20.311 18.973 10 HA HYP 3 HA HYP 3 19.117 22.262 19.548 11 1HB HYP 3 1HB HYP 3 18.365 24.163 18.550 12 2HB HYP 3 2HB HYP 3 18.122 24.871 20.138 13 1HD HYP 3 1HD HYP 3 15.406 22.039 18.798 14 2HD HYP 3 2HD HYP 3 15.157 22.486 20.471 15 HOD HYP 3 HOD HYP 3 15.852 25.033 17.787 16 HG HYP 3 HG HYP 3 15.789 24.730 19.887 17 H DTR 4 HN DTR 4 20.046 24.272 21.018 18 HA DTR 4 HA DTR 4 19.626 23.493 23.879 19 1HB DTR 4 1HB DTR 4 20.585 25.930 24.237 20 2HB DTR 4 2HB DTR 4 18.929 25.703 23.745 21 HD1 DTR 4 HD1 DTR 4 18.191 26.772 21.461 22 HE1 DTR 4 HE1 DTR 4 19.523 28.030 19.729 23 HZ2 DTR 4 HZ2 DTR 4 22.341 28.676 19.105 24 HH2 DTR 4 HH2 DTR 4 24.574 28.207 20.050 25 HZ3 DTR 4 HZ3 DTR 4 24.776 26.827 22.106 26 HE3 DTR 4 HE3 DTR 4 22.707 25.930 23.200 27 H GLN 5 H GLN 5 21.763 22.729 21.652 28 HA GLN 5 HA GLN 5 24.063 22.952 23.541 29 1HB GLN 5 2HB GLN 5 22.786 20.596 22.273 30 2HB GLN 5 1HB GLN 5 24.490 20.637 21.921 31 1HG GLN 5 2HG GLN 5 24.450 19.380 23.896 32 2HG GLN 5 1HG GLN 5 24.737 20.974 24.587 33 1HE2 GLN 5 1HE2 GLN 5 22.433 22.179 24.916 34 2HE2 GLN 5 2HE2 GLN 5 21.273 21.233 25.714 35 HA PRO 6 HA PRO 6 25.722 25.385 20.321 36 1HB PRO 6 2HB PRO 6 28.479 24.744 20.767 37 2HB PRO 6 1HB PRO 6 27.602 26.142 21.328 38 1HG PRO 6 2HG PRO 6 28.424 23.768 22.850 39 2HG PRO 6 1HG PRO 6 27.787 25.281 23.471 40 1HD PRO 6 2HD PRO 6 26.390 22.799 23.364 41 2HD PRO 6 1HD PRO 6 25.669 24.393 23.695 42 H TRP 7 H TRP 7 26.559 22.148 20.369 43 HA TRP 7 HA TRP 7 27.257 22.111 17.464 44 1HB TRP 7 2HB TRP 7 28.976 20.597 17.903 45 2HB TRP 7 1HB TRP 7 29.065 21.515 19.375 46 HD1 TRP 7 HD1 TRP 7 28.430 18.097 18.055 47 HE1 TRP 7 HE1 TRP 7 27.917 16.591 20.012 48 HE3 TRP 7 HE3 TRP 7 27.664 21.498 21.525 49 HZ2 TRP 7 HZ2 TRP 7 27.178 16.752 22.816 50 HZ3 TRP 7 HZ3 TRP 7 27.057 20.902 23.894 51 HH2 TRP 7 HH2 TRP 7 26.811 18.521 24.506 52 H CY3 8 H CYS 8 24.760 21.640 19.306 53 HA CY3 8 HA CYS 8 24.282 18.922 19.002 54 1HB CY3 8 1HB CYS 8 21.784 20.573 18.860 55 2HB CY3 8 2HB CYS 8 22.844 21.115 20.109 56 1HN1 CY3 8 1HN CYS 8 24.900 20.442 16.317 57 2HN1 CY3 8 2HN CYS 8 23.668 19.939 15.254 Start of MODEL 8 1 1H GLY 1 1H GLY 1 19.122 15.761 24.277 2 2H GLY 1 2H GLY 1 18.154 16.640 25.339 3 3H GLY 1 3H GLY 1 19.305 17.407 24.397 4 1HA GLY 1 2HA GLY 1 17.647 16.050 22.603 5 2HA GLY 1 1HA GLY 1 16.631 17.012 23.699 6 H CYS 2 H CYS 2 17.187 17.782 20.862 7 HA CYS 2 HA CYS 2 18.635 20.302 21.424 8 1HB CYS 2 2HB CYS 2 18.966 18.397 19.121 9 2HB CYS 2 1HB CYS 2 19.509 20.033 19.009 10 HA HYP 3 HA HYP 3 19.282 21.999 19.435 11 1HB HYP 3 1HB HYP 3 18.949 23.927 18.323 12 2HB HYP 3 2HB HYP 3 18.301 24.651 19.779 13 1HD HYP 3 1HD HYP 3 16.020 21.829 17.842 14 2HD HYP 3 2HD HYP 3 15.255 22.404 19.331 15 HOD HYP 3 HOD HYP 3 16.108 23.698 16.717 16 HG HYP 3 HG HYP 3 16.139 24.568 18.900 17 H DTR 4 HN DTR 4 20.219 23.869 20.891 18 HA DTR 4 HA DTR 4 19.410 23.273 23.714 19 1HB DTR 4 1HB DTR 4 20.425 25.688 24.094 20 2HB DTR 4 2HB DTR 4 18.833 25.536 23.434 21 HD1 DTR 4 HD1 DTR 4 18.441 26.568 21.061 22 HE1 DTR 4 HE1 DTR 4 20.020 27.684 19.465 23 HZ2 DTR 4 HZ2 DTR 4 22.911 28.144 19.154 24 HH2 DTR 4 HH2 DTR 4 24.992 27.580 20.373 25 HZ3 DTR 4 HZ3 DTR 4 24.876 26.271 22.480 26 HE3 DTR 4 HE3 DTR 4 22.654 25.520 23.340 27 H GLN 5 H GLN 5 21.618 22.528 21.507 28 HA GLN 5 HA GLN 5 23.821 22.375 23.488 29 1HB GLN 5 2HB GLN 5 22.627 20.326 21.670 30 2HB GLN 5 1HB GLN 5 24.373 20.330 21.679 31 1HG GLN 5 2HG GLN 5 23.610 18.757 23.329 32 2HG GLN 5 1HG GLN 5 24.306 20.081 24.206 33 1HE2 GLN 5 1HE2 GLN 5 21.085 19.943 22.665 34 2HE2 GLN 5 2HE2 GLN 5 20.210 20.150 24.089 35 HA PRO 6 HA PRO 6 25.895 25.148 20.925 36 1HB PRO 6 2HB PRO 6 28.583 24.257 21.381 37 2HB PRO 6 1HB PRO 6 27.696 25.497 22.233 38 1HG PRO 6 2HG PRO 6 28.295 22.752 23.131 39 2HG PRO 6 1HG PRO 6 27.770 24.131 24.082 40 1HD PRO 6 2HD PRO 6 26.139 21.932 23.388 41 2HD PRO 6 1HD PRO 6 25.559 23.487 23.988 42 H TRP 7 H TRP 7 26.777 21.923 20.345 43 HA TRP 7 HA TRP 7 27.726 22.511 17.586 44 1HB TRP 7 2HB TRP 7 29.200 20.742 17.775 45 2HB TRP 7 1HB TRP 7 29.203 21.276 19.440 46 HD1 TRP 7 HD1 TRP 7 28.553 18.357 17.304 47 HE1 TRP 7 HE1 TRP 7 27.560 16.502 18.735 48 HE3 TRP 7 HE3 TRP 7 27.418 20.906 21.373 49 HZ2 TRP 7 HZ2 TRP 7 26.432 16.088 21.319 50 HZ3 TRP 7 HZ3 TRP 7 26.403 19.823 23.382 51 HH2 TRP 7 HH2 TRP 7 25.884 17.411 23.334 52 H CY3 8 H CYS 8 25.000 21.693 19.124 53 HA CY3 8 HA CYS 8 24.477 19.350 17.653 54 1HB CY3 8 1HB CYS 8 22.055 20.914 18.434 55 2HB CY3 8 2HB CYS 8 23.193 20.600 19.718 56 1HN1 CY3 8 1HN CYS 8 24.827 19.949 15.346 57 2HN1 CY3 8 2HN CYS 8 23.848 21.085 14.499 Start of MODEL 9 1 1H GLY 1 1H GLY 1 19.244 16.153 22.095 2 2H GLY 1 2H GLY 1 18.014 15.027 22.034 3 3H GLY 1 3H GLY 1 18.926 15.151 23.415 4 1HA GLY 1 2HA GLY 1 16.549 16.529 22.801 5 2HA GLY 1 1HA GLY 1 17.515 16.647 24.267 6 H CYS 2 H CYS 2 17.145 17.985 20.984 7 HA CYS 2 HA CYS 2 18.484 20.454 21.910 8 1HB CYS 2 2HB CYS 2 18.959 18.810 19.399 9 2HB CYS 2 1HB CYS 2 19.386 20.478 19.426 10 HA HYP 3 HA HYP 3 18.759 22.376 19.549 11 1HB HYP 3 1HB HYP 3 18.055 24.306 18.665 12 2HB HYP 3 2HB HYP 3 17.420 24.842 20.261 13 1HD HYP 3 1HD HYP 3 15.215 21.714 18.729 14 2HD HYP 3 2HD HYP 3 14.832 22.361 20.312 15 HOD HYP 3 HOD HYP 3 16.013 24.621 17.340 16 HG HYP 3 HG HYP 3 15.271 24.522 19.380 17 H DTR 4 HN DTR 4 19.993 24.029 20.874 18 HA DTR 4 HA DTR 4 19.550 23.508 23.797 19 1HB DTR 4 1HB DTR 4 20.596 25.859 24.082 20 2HB DTR 4 2HB DTR 4 18.979 25.774 23.467 21 HD1 DTR 4 HD1 DTR 4 18.550 26.783 21.081 22 HE1 DTR 4 HE1 DTR 4 20.127 27.908 19.467 23 HZ2 DTR 4 HZ2 DTR 4 23.022 28.354 19.127 24 HH2 DTR 4 HH2 DTR 4 25.113 27.780 20.298 25 HZ3 DTR 4 HZ3 DTR 4 25.019 26.464 22.405 26 HE3 DTR 4 HE3 DTR 4 22.806 25.713 23.298 27 H GLN 5 H GLN 5 21.649 22.619 21.453 28 HA GLN 5 HA GLN 5 23.920 22.634 23.397 29 1HB GLN 5 2HB GLN 5 22.678 20.420 21.826 30 2HB GLN 5 1HB GLN 5 24.391 20.436 21.743 31 1HG GLN 5 2HG GLN 5 23.823 19.032 23.607 32 2HG GLN 5 1HG GLN 5 24.455 20.510 24.310 33 1HE2 GLN 5 1HE2 GLN 5 21.187 19.587 23.055 34 2HE2 GLN 5 2HE2 GLN 5 20.364 20.032 24.472 35 HA PRO 6 HA PRO 6 25.682 25.300 20.526 36 1HB PRO 6 2HB PRO 6 28.451 24.627 20.939 37 2HB PRO 6 1HB PRO 6 27.523 25.898 21.718 38 1HG PRO 6 2HG PRO 6 28.331 23.321 22.863 39 2HG PRO 6 1HG PRO 6 27.736 24.729 23.684 40 1HD PRO 6 2HD PRO 6 26.259 22.356 23.270 41 2HD PRO 6 1HD PRO 6 25.582 23.910 23.742 42 H TRP 7 H TRP 7 27.194 22.269 20.412 43 HA TRP 7 HA TRP 7 27.911 22.432 17.565 44 1HB TRP 7 2HB TRP 7 29.521 20.822 18.059 45 2HB TRP 7 1HB TRP 7 29.391 21.549 19.658 46 HD1 TRP 7 HD1 TRP 7 29.014 18.384 17.795 47 HE1 TRP 7 HE1 TRP 7 28.072 16.615 19.360 48 HE3 TRP 7 HE3 TRP 7 27.575 21.235 21.621 49 HZ2 TRP 7 HZ2 TRP 7 26.844 16.350 21.916 50 HZ3 TRP 7 HZ3 TRP 7 26.535 20.260 23.667 51 HH2 TRP 7 HH2 TRP 7 26.166 17.817 23.793 52 H CY3 8 H CYS 8 25.219 21.534 19.245 53 HA CY3 8 HA CYS 8 24.756 18.986 18.265 54 1HB CY3 8 1HB CYS 8 22.356 20.843 18.208 55 2HB CY3 8 2HB CYS 8 23.193 20.703 19.724 56 1HN1 CY3 8 1HN CYS 8 23.637 22.045 16.790 57 2HN1 CY3 8 2HN CYS 8 23.628 21.500 15.165 Start of MODEL 10 1 1H GLY 1 1H GLY 1 19.469 16.681 23.597 2 2H GLY 1 2H GLY 1 18.224 15.537 23.907 3 3H GLY 1 3H GLY 1 18.710 16.605 25.102 4 1HA GLY 1 2HA GLY 1 16.707 17.027 23.214 5 2HA GLY 1 1HA GLY 1 17.310 18.154 24.458 6 H CYS 2 H CYS 2 16.648 18.444 21.413 7 HA CYS 2 HA CYS 2 18.963 20.141 20.843 8 1HB CYS 2 2HB CYS 2 18.236 17.691 19.305 9 2HB CYS 2 1HB CYS 2 18.585 19.107 18.376 10 HA HYP 3 HA HYP 3 19.294 21.797 19.384 11 1HB HYP 3 1HB HYP 3 18.910 23.736 18.216 12 2HB HYP 3 2HB HYP 3 18.670 24.508 19.752 13 1HD HYP 3 1HD HYP 3 15.807 22.054 18.076 14 2HD HYP 3 2HD HYP 3 15.312 22.525 19.732 15 HOD HYP 3 HOD HYP 3 15.834 24.596 17.320 16 HG HYP 3 HG HYP 3 16.341 24.636 19.451 17 H DTR 4 HN DTR 4 20.207 23.790 20.986 18 HA DTR 4 HA DTR 4 19.462 22.912 23.764 19 1HB DTR 4 1HB DTR 4 20.317 25.353 24.329 20 2HB DTR 4 2HB DTR 4 18.762 25.202 23.575 21 HD1 DTR 4 HD1 DTR 4 18.461 26.246 21.182 22 HE1 DTR 4 HE1 DTR 4 20.117 27.465 19.713 23 HZ2 DTR 4 HZ2 DTR 4 23.000 28.005 19.588 24 HH2 DTR 4 HH2 DTR 4 25.018 27.544 20.952 25 HZ3 DTR 4 HZ3 DTR 4 24.826 26.189 23.014 26 HE3 DTR 4 HE3 DTR 4 22.575 25.360 23.751 27 H GLN 5 H GLN 5 21.687 22.466 21.508 28 HA GLN 5 HA GLN 5 23.890 22.327 23.510 29 1HB GLN 5 2HB GLN 5 24.097 20.398 21.237 30 2HB GLN 5 1HB GLN 5 24.340 20.189 22.953 31 1HG GLN 5 2HG GLN 5 21.547 20.213 21.812 32 2HG GLN 5 1HG GLN 5 22.496 18.790 22.066 33 1HE2 GLN 5 1HE2 GLN 5 23.287 18.401 24.384 34 2HE2 GLN 5 2HE2 GLN 5 22.322 18.998 25.629 35 HA PRO 6 HA PRO 6 25.859 25.219 20.884 36 1HB PRO 6 2HB PRO 6 28.565 24.506 21.570 37 2HB PRO 6 1HB PRO 6 27.579 25.792 22.229 38 1HG PRO 6 2HG PRO 6 28.243 23.205 23.455 39 2HG PRO 6 1HG PRO 6 27.551 24.624 24.217 40 1HD PRO 6 2HD PRO 6 26.143 22.246 23.593 41 2HD PRO 6 1HD PRO 6 25.413 23.769 24.045 42 H TRP 7 H TRP 7 26.325 22.019 20.267 43 HA TRP 7 HA TRP 7 27.593 22.638 17.598 44 1HB TRP 7 2HB TRP 7 29.112 20.871 17.838 45 2HB TRP 7 1HB TRP 7 29.088 21.452 19.501 46 HD1 TRP 7 HD1 TRP 7 28.427 18.461 17.414 47 HE1 TRP 7 HE1 TRP 7 27.400 16.651 18.887 48 HE3 TRP 7 HE3 TRP 7 27.390 21.195 21.370 49 HZ2 TRP 7 HZ2 TRP 7 26.253 16.384 21.569 50 HZ3 TRP 7 HZ3 TRP 7 26.397 20.209 23.463 51 HH2 TRP 7 HH2 TRP 7 25.769 17.814 23.529 52 H CY3 8 H CYS 8 24.827 21.794 19.035 53 HA CY3 8 HA CYS 8 24.328 19.346 17.888 54 1HB CY3 8 1HB CYS 8 22.193 21.507 18.333 55 2HB CY3 8 2HB CYS 8 22.702 20.297 19.538 56 1HN1 CY3 8 1HN CYS 8 24.931 19.251 15.619 57 2HN1 CY3 8 2HN CYS 8 24.132 20.083 14.367 Start of MODEL 11 1 1H GLY 1 1H GLY 1 19.366 15.752 23.589 2 2H GLY 1 2H GLY 1 18.599 16.362 24.977 3 3H GLY 1 3H GLY 1 19.501 17.370 23.933 4 1HA GLY 1 2HA GLY 1 17.575 16.152 22.366 5 2HA GLY 1 1HA GLY 1 16.779 16.900 23.784 6 H CYS 2 H CYS 2 17.253 17.822 20.828 7 HA CYS 2 HA CYS 2 18.351 20.464 21.598 8 1HB CYS 2 2HB CYS 2 18.960 18.692 19.228 9 2HB CYS 2 1HB CYS 2 19.309 20.390 19.137 10 HA HYP 3 HA HYP 3 18.870 22.274 19.386 11 1HB HYP 3 1HB HYP 3 18.329 24.282 18.561 12 2HB HYP 3 2HB HYP 3 17.523 24.755 20.034 13 1HD HYP 3 1HD HYP 3 15.496 21.733 18.125 14 2HD HYP 3 2HD HYP 3 14.860 22.354 19.653 15 HOD HYP 3 HOD HYP 3 15.761 24.169 16.808 16 HG HYP 3 HG HYP 3 15.501 24.525 18.879 17 H DTR 4 HN DTR 4 20.132 23.696 20.854 18 HA DTR 4 HA DTR 4 19.461 23.121 23.721 19 1HB DTR 4 1HB DTR 4 20.427 25.469 24.212 20 2HB DTR 4 2HB DTR 4 18.866 25.408 23.426 21 HD1 DTR 4 HD1 DTR 4 18.689 26.539 21.075 22 HE1 DTR 4 HE1 DTR 4 20.413 27.732 19.678 23 HZ2 DTR 4 HZ2 DTR 4 23.306 28.198 19.624 24 HH2 DTR 4 HH2 DTR 4 25.268 27.557 20.962 25 HZ3 DTR 4 HZ3 DTR 4 25.016 26.144 22.983 26 HE3 DTR 4 HE3 DTR 4 22.742 25.372 23.621 27 H GLN 5 H GLN 5 21.729 22.504 21.440 28 HA GLN 5 HA GLN 5 23.924 22.399 23.458 29 1HB GLN 5 2HB GLN 5 22.724 20.293 21.718 30 2HB GLN 5 1HB GLN 5 24.464 20.303 21.680 31 1HG GLN 5 2HG GLN 5 23.482 18.755 23.395 32 2HG GLN 5 1HG GLN 5 24.565 19.910 24.104 33 1HE2 GLN 5 1HE2 GLN 5 23.717 21.062 25.885 34 2HE2 GLN 5 2HE2 GLN 5 22.062 21.191 26.223 35 HA PRO 6 HA PRO 6 25.825 25.207 20.847 36 1HB PRO 6 2HB PRO 6 28.576 24.394 21.164 37 2HB PRO 6 1HB PRO 6 27.710 25.601 22.080 38 1HG PRO 6 2HG PRO 6 28.428 22.875 22.916 39 2HG PRO 6 1HG PRO 6 27.906 24.228 23.912 40 1HD PRO 6 2HD PRO 6 26.313 21.966 23.267 41 2HD PRO 6 1HD PRO 6 25.712 23.508 23.921 42 H TRP 7 H TRP 7 27.148 22.119 20.407 43 HA TRP 7 HA TRP 7 27.856 22.550 17.565 44 1HB TRP 7 2HB TRP 7 29.377 20.819 17.845 45 2HB TRP 7 1HB TRP 7 29.333 21.398 19.521 46 HD1 TRP 7 HD1 TRP 7 28.778 18.420 17.404 47 HE1 TRP 7 HE1 TRP 7 27.799 16.567 18.857 48 HE3 TRP 7 HE3 TRP 7 27.574 20.996 21.490 49 HZ2 TRP 7 HZ2 TRP 7 26.704 16.130 21.460 50 HZ3 TRP 7 HZ3 TRP 7 26.585 19.893 23.491 51 HH2 TRP 7 HH2 TRP 7 26.120 17.480 23.454 52 H CY3 8 H CYS 8 25.224 21.559 19.283 53 HA CY3 8 HA CYS 8 24.570 19.177 17.984 54 1HB CY3 8 1HB CYS 8 22.187 20.967 18.244 55 2HB CY3 8 2HB CYS 8 23.142 20.856 19.725 56 1HN1 CY3 8 1HN CYS 8 24.077 22.556 16.968 57 2HN1 CY3 8 2HN CYS 8 23.720 22.224 15.353 Start of MODEL 12 1 1H GLY 1 1H GLY 1 18.276 17.705 24.281 2 2H GLY 1 2H GLY 1 18.449 16.011 24.365 3 3H GLY 1 3H GLY 1 16.918 16.726 24.471 4 1HA GLY 1 2HA GLY 1 18.267 15.885 22.124 5 2HA GLY 1 1HA GLY 1 16.670 16.684 22.276 6 H CYS 2 H CYS 2 17.388 17.848 20.282 7 HA CYS 2 HA CYS 2 19.116 20.203 20.916 8 1HB CYS 2 2HB CYS 2 18.591 18.943 18.194 9 2HB CYS 2 1HB CYS 2 19.660 20.238 18.517 10 HA HYP 3 HA HYP 3 19.384 22.276 19.541 11 1HB HYP 3 1HB HYP 3 18.896 24.387 18.837 12 2HB HYP 3 2HB HYP 3 18.231 24.769 20.407 13 1HD HYP 3 1HD HYP 3 15.865 22.165 18.276 14 2HD HYP 3 2HD HYP 3 15.379 22.544 19.927 15 HOD HYP 3 HOD HYP 3 15.907 24.402 17.346 16 HG HYP 3 HG HYP 3 16.097 24.773 19.514 17 H DTR 4 HN DTR 4 20.169 24.090 21.288 18 HA DTR 4 HA DTR 4 19.697 22.915 24.006 19 1HB DTR 4 1HB DTR 4 20.380 25.354 24.764 20 2HB DTR 4 2HB DTR 4 18.772 25.065 24.143 21 HD1 DTR 4 HD1 DTR 4 18.036 26.467 22.054 22 HE1 DTR 4 HE1 DTR 4 19.328 28.034 20.572 23 HZ2 DTR 4 HZ2 DTR 4 22.104 28.872 20.081 24 HH2 DTR 4 HH2 DTR 4 24.353 28.377 20.951 25 HZ3 DTR 4 HZ3 DTR 4 24.616 26.725 22.796 26 HE3 DTR 4 HE3 DTR 4 22.610 25.601 23.729 27 H GLN 5 H GLN 5 21.931 22.565 21.854 28 HA GLN 5 HA GLN 5 24.232 22.958 23.701 29 1HB GLN 5 2HB GLN 5 23.120 20.436 22.616 30 2HB GLN 5 1HB GLN 5 24.774 20.641 22.078 31 1HG GLN 5 2HG GLN 5 24.991 19.469 24.113 32 2HG GLN 5 1HG GLN 5 25.364 21.091 24.606 33 1HE2 GLN 5 1HE2 GLN 5 23.345 22.347 25.541 34 2HE2 GLN 5 2HE2 GLN 5 22.256 21.406 26.447 35 HA PRO 6 HA PRO 6 25.611 25.376 20.455 36 1HB PRO 6 2HB PRO 6 28.473 25.038 20.701 37 2HB PRO 6 1HB PRO 6 27.467 26.250 21.484 38 1HG PRO 6 2HG PRO 6 28.636 23.798 22.650 39 2HG PRO 6 1HG PRO 6 28.011 25.208 23.489 40 1HD PRO 6 2HD PRO 6 26.709 22.676 23.306 41 2HD PRO 6 1HD PRO 6 25.959 24.188 23.818 42 H TRP 7 H TRP 7 26.343 22.185 20.124 43 HA TRP 7 HA TRP 7 26.980 22.574 17.192 44 1HB TRP 7 2HB TRP 7 28.717 20.997 17.300 45 2HB TRP 7 1HB TRP 7 28.967 21.824 18.830 46 HD1 TRP 7 HD1 TRP 7 28.240 18.508 17.334 47 HE1 TRP 7 HE1 TRP 7 27.965 16.842 19.196 48 HE3 TRP 7 HE3 TRP 7 27.776 21.603 21.164 49 HZ2 TRP 7 HZ2 TRP 7 27.504 16.791 22.039 50 HZ3 TRP 7 HZ3 TRP 7 27.427 20.781 23.509 51 HH2 TRP 7 HH2 TRP 7 27.262 18.371 23.911 52 H CY3 8 H CYS 8 24.888 21.502 19.383 53 HA CY3 8 HA CYS 8 24.269 19.002 18.936 54 1HB CY3 8 1HB CYS 8 21.857 20.839 18.827 55 2HB CY3 8 2HB CYS 8 22.953 21.115 20.111 56 1HN1 CY3 8 1HN CYS 8 24.405 18.067 16.840 57 2HN1 CY3 8 2HN CYS 8 23.450 18.463 15.500 Start of MODEL 13 1 1H GLY 1 1H GLY 1 19.388 16.356 23.090 2 2H GLY 1 2H GLY 1 18.313 15.086 22.861 3 3H GLY 1 3H GLY 1 18.628 15.630 24.417 4 1HA GLY 1 2HA GLY 1 16.643 16.486 22.621 5 2HA GLY 1 1HA GLY 1 16.967 17.078 24.293 6 H CYS 2 H CYS 2 17.004 18.011 21.019 7 HA CYS 2 HA CYS 2 18.589 20.395 21.679 8 1HB CYS 2 2HB CYS 2 18.986 18.468 19.374 9 2HB CYS 2 1HB CYS 2 19.481 20.131 19.222 10 HA HYP 3 HA HYP 3 19.097 22.162 19.455 11 1HB HYP 3 1HB HYP 3 18.544 24.100 18.412 12 2HB HYP 3 2HB HYP 3 17.962 24.764 19.922 13 1HD HYP 3 1HD HYP 3 15.629 21.779 18.268 14 2HD HYP 3 2HD HYP 3 15.085 22.384 19.826 15 HOD HYP 3 HOD HYP 3 15.704 24.428 17.103 16 HG HYP 3 HG HYP 3 15.758 24.561 19.185 17 H DTR 4 HN DTR 4 20.181 23.967 20.898 18 HA DTR 4 HA DTR 4 19.518 23.317 23.753 19 1HB DTR 4 1HB DTR 4 20.561 25.743 24.112 20 2HB DTR 4 2HB DTR 4 18.892 25.564 23.622 21 HD1 DTR 4 HD1 DTR 4 18.223 26.649 21.337 22 HE1 DTR 4 HE1 DTR 4 19.616 27.867 19.616 23 HZ2 DTR 4 HZ2 DTR 4 22.465 28.396 19.040 24 HH2 DTR 4 HH2 DTR 4 24.680 27.838 20.054 25 HZ3 DTR 4 HZ3 DTR 4 24.789 26.461 22.111 26 HE3 DTR 4 HE3 DTR 4 22.673 25.642 23.146 27 H GLN 5 H GLN 5 21.649 22.534 21.510 28 HA GLN 5 HA GLN 5 23.920 22.506 23.441 29 1HB GLN 5 2HB GLN 5 22.708 20.363 21.766 30 2HB GLN 5 1HB GLN 5 24.442 20.415 21.661 31 1HG GLN 5 2HG GLN 5 23.977 18.926 23.465 32 2HG GLN 5 1HG GLN 5 24.495 20.401 24.252 33 1HE2 GLN 5 1HE2 GLN 5 21.372 19.267 22.866 34 2HE2 GLN 5 2HE2 GLN 5 20.444 19.636 24.232 35 HA PRO 6 HA PRO 6 25.726 25.254 20.681 36 1HB PRO 6 2HB PRO 6 28.484 24.673 21.244 37 2HB PRO 6 1HB PRO 6 27.467 25.860 22.020 38 1HG PRO 6 2HG PRO 6 28.322 23.240 23.063 39 2HG PRO 6 1HG PRO 6 27.644 24.608 23.940 40 1HD PRO 6 2HD PRO 6 26.270 22.218 23.337 41 2HD PRO 6 1HD PRO 6 25.542 23.728 23.883 42 H TRP 7 H TRP 7 26.754 22.082 20.317 43 HA TRP 7 HA TRP 7 27.699 22.572 17.539 44 1HB TRP 7 2HB TRP 7 29.337 20.970 17.855 45 2HB TRP 7 1HB TRP 7 29.258 21.619 19.483 46 HD1 TRP 7 HD1 TRP 7 28.898 18.512 17.527 47 HE1 TRP 7 HE1 TRP 7 28.103 16.684 19.097 48 HE3 TRP 7 HE3 TRP 7 27.518 21.217 21.481 49 HZ2 TRP 7 HZ2 TRP 7 26.994 16.321 21.693 50 HZ3 TRP 7 HZ3 TRP 7 26.601 20.152 23.555 51 HH2 TRP 7 HH2 TRP 7 26.337 17.699 23.640 52 H CY3 8 H CYS 8 25.090 21.577 19.200 53 HA CY3 8 HA CYS 8 24.654 19.099 18.040 54 1HB CY3 8 1HB CYS 8 22.166 20.763 18.284 55 2HB CY3 8 2HB CYS 8 23.131 20.687 19.715 56 1HN1 CY3 8 1HN CYS 8 23.934 18.598 15.821 57 2HN1 CY3 8 2HN CYS 8 23.576 19.796 14.661 Start of MODEL 14 1 1H GLY 1 1H GLY 1 15.860 16.630 24.656 2 2H GLY 1 2H GLY 1 17.249 17.575 24.753 3 3H GLY 1 3H GLY 1 17.395 15.891 24.884 4 1HA GLY 1 2HA GLY 1 17.683 15.782 22.671 5 2HA GLY 1 1HA GLY 1 16.065 16.530 22.501 6 H CYS 2 H CYS 2 17.066 17.798 20.677 7 HA CYS 2 HA CYS 2 18.455 20.180 21.737 8 1HB CYS 2 2HB CYS 2 19.383 18.278 19.656 9 2HB CYS 2 1HB CYS 2 19.423 19.929 19.132 10 HA HYP 3 HA HYP 3 19.370 21.948 19.659 11 1HB HYP 3 1HB HYP 3 19.109 23.921 18.650 12 2HB HYP 3 2HB HYP 3 18.426 24.601 20.119 13 1HD HYP 3 1HD HYP 3 16.169 21.890 17.975 14 2HD HYP 3 2HD HYP 3 15.358 22.411 19.469 15 HOD HYP 3 HOD HYP 3 16.291 23.859 16.953 16 HG HYP 3 HG HYP 3 16.284 24.589 19.173 17 H DTR 4 HN DTR 4 20.442 23.589 21.128 18 HA DTR 4 HA DTR 4 19.750 22.888 23.958 19 1HB DTR 4 1HB DTR 4 20.582 25.323 24.507 20 2HB DTR 4 2HB DTR 4 18.989 25.151 23.781 21 HD1 DTR 4 HD1 DTR 4 18.549 26.420 21.542 22 HE1 DTR 4 HE1 DTR 4 20.117 27.756 20.093 23 HZ2 DTR 4 HZ2 DTR 4 22.947 28.361 19.806 24 HH2 DTR 4 HH2 DTR 4 25.051 27.778 20.962 25 HZ3 DTR 4 HZ3 DTR 4 25.047 26.260 22.923 26 HE3 DTR 4 HE3 DTR 4 22.883 25.349 23.702 27 H GLN 5 H GLN 5 21.971 22.526 21.586 28 HA GLN 5 HA GLN 5 24.266 22.546 23.501 29 1HB GLN 5 2HB GLN 5 23.147 20.359 21.794 30 2HB GLN 5 1HB GLN 5 24.885 20.487 21.746 31 1HG GLN 5 2HG GLN 5 24.245 18.927 23.535 32 2HG GLN 5 1HG GLN 5 24.936 20.342 24.276 33 1HE2 GLN 5 1HE2 GLN 5 21.645 19.672 23.038 34 2HE2 GLN 5 2HE2 GLN 5 20.838 20.048 24.486 35 HA PRO 6 HA PRO 6 25.633 25.433 20.574 36 1HB PRO 6 2HB PRO 6 28.464 25.301 21.096 37 2HB PRO 6 1HB PRO 6 27.267 26.338 21.869 38 1HG PRO 6 2HG PRO 6 28.537 23.880 22.966 39 2HG PRO 6 1HG PRO 6 27.750 25.175 23.828 40 1HD PRO 6 2HD PRO 6 26.641 22.623 23.366 41 2HD PRO 6 1HD PRO 6 25.735 24.060 23.873 42 H TRP 7 H TRP 7 26.496 22.319 20.029 43 HA TRP 7 HA TRP 7 27.487 22.997 17.285 44 1HB TRP 7 2HB TRP 7 29.283 21.537 17.478 45 2HB TRP 7 1HB TRP 7 29.274 22.213 19.083 46 HD1 TRP 7 HD1 TRP 7 29.021 19.049 17.234 47 HE1 TRP 7 HE1 TRP 7 28.527 17.182 18.875 48 HE3 TRP 7 HE3 TRP 7 27.712 21.741 21.195 49 HZ2 TRP 7 HZ2 TRP 7 27.616 16.815 21.582 50 HZ3 TRP 7 HZ3 TRP 7 27.023 20.647 23.338 51 HH2 TRP 7 HH2 TRP 7 26.973 18.196 23.515 52 H CY3 8 H CYS 8 25.131 21.696 19.028 53 HA CY3 8 HA CYS 8 24.784 19.179 18.152 54 1HB CY3 8 1HB CYS 8 22.193 20.708 18.222 55 2HB CY3 8 2HB CYS 8 23.239 21.020 19.559 56 1HN1 CY3 8 1HN CYS 8 25.515 19.315 15.752 57 2HN1 CY3 8 2HN CYS 8 24.341 19.576 14.548 Start of MODEL 15 1 1H GLY 1 1H GLY 1 18.307 16.329 24.902 2 2H GLY 1 2H GLY 1 16.693 16.815 24.715 3 3H GLY 1 3H GLY 1 17.935 17.936 24.573 4 1HA GLY 1 2HA GLY 1 18.456 15.969 22.686 5 2HA GLY 1 1HA GLY 1 16.754 16.463 22.531 6 H CYS 2 H CYS 2 17.247 17.743 20.570 7 HA CYS 2 HA CYS 2 18.840 20.198 21.074 8 1HB CYS 2 2HB CYS 2 18.472 18.575 18.547 9 2HB CYS 2 1HB CYS 2 19.056 20.215 18.512 10 HA HYP 3 HA HYP 3 19.009 22.269 19.458 11 1HB HYP 3 1HB HYP 3 18.551 24.481 19.045 12 2HB HYP 3 2HB HYP 3 17.672 24.643 20.553 13 1HD HYP 3 1HD HYP 3 15.551 22.001 18.312 14 2HD HYP 3 2HD HYP 3 15.037 22.502 19.915 15 HOD HYP 3 HOD HYP 3 16.233 23.404 17.080 16 HG HYP 3 HG HYP 3 15.735 24.704 19.217 17 H DTR 4 HN DTR 4 20.077 23.875 21.143 18 HA DTR 4 HA DTR 4 19.679 22.631 23.848 19 1HB DTR 4 1HB DTR 4 20.429 24.892 24.770 20 2HB DTR 4 2HB DTR 4 18.825 24.827 24.057 21 HD1 DTR 4 HD1 DTR 4 18.284 26.661 22.297 22 HE1 DTR 4 HE1 DTR 4 19.767 28.333 21.088 23 HZ2 DTR 4 HZ2 DTR 4 22.510 28.945 20.678 24 HH2 DTR 4 HH2 DTR 4 24.751 28.126 21.367 25 HZ3 DTR 4 HZ3 DTR 4 24.888 26.161 22.876 26 HE3 DTR 4 HE3 DTR 4 22.805 25.043 23.687 27 H GLN 5 H GLN 5 21.894 22.663 21.414 28 HA GLN 5 HA GLN 5 24.135 22.637 23.392 29 1HB GLN 5 2HB GLN 5 23.895 20.667 21.071 30 2HB GLN 5 1HB GLN 5 25.059 20.642 22.373 31 1HG GLN 5 2HG GLN 5 22.093 20.085 22.646 32 2HG GLN 5 1HG GLN 5 23.400 18.963 22.872 33 1HE2 GLN 5 1HE2 GLN 5 21.303 19.868 24.826 34 2HE2 GLN 5 2HE2 GLN 5 22.181 20.471 26.147 35 HA PRO 6 HA PRO 6 26.061 25.410 20.716 36 1HB PRO 6 2HB PRO 6 28.784 24.712 21.125 37 2HB PRO 6 1HB PRO 6 27.869 25.814 22.098 38 1HG PRO 6 2HG PRO 6 28.655 23.042 22.766 39 2HG PRO 6 1HG PRO 6 28.172 24.334 23.851 40 1HD PRO 6 2HD PRO 6 26.546 22.117 23.100 41 2HD PRO 6 1HD PRO 6 25.966 23.603 23.875 42 H TRP 7 H TRP 7 26.717 22.152 20.293 43 HA TRP 7 HA TRP 7 27.541 22.574 17.430 44 1HB TRP 7 2HB TRP 7 28.972 20.750 17.561 45 2HB TRP 7 1HB TRP 7 29.202 21.414 19.183 46 HD1 TRP 7 HD1 TRP 7 28.070 18.377 17.315 47 HE1 TRP 7 HE1 TRP 7 27.331 16.638 19.014 48 HE3 TRP 7 HE3 TRP 7 27.876 21.216 21.375 49 HZ2 TRP 7 HZ2 TRP 7 26.724 16.417 21.823 50 HZ3 TRP 7 HZ3 TRP 7 27.245 20.294 23.648 51 HH2 TRP 7 HH2 TRP 7 26.668 17.903 23.815 52 H CY3 8 H CYS 8 25.043 21.764 19.281 53 HA CY3 8 HA CYS 8 24.053 19.420 18.768 54 1HB CY3 8 1HB CYS 8 21.850 21.127 17.897 55 2HB CY3 8 2HB CYS 8 22.809 22.097 18.982 56 1HN1 CY3 8 1HN CYS 8 24.171 21.797 16.123 57 2HN1 CY3 8 2HN CYS 8 23.784 20.707 14.901 Start of MODEL 16 1 1H GLY 1 1H GLY 1 18.185 17.594 24.932 2 2H GLY 1 2H GLY 1 18.427 15.933 24.960 3 3H GLY 1 3H GLY 1 16.880 16.580 25.171 4 1HA GLY 1 2HA GLY 1 18.109 15.875 22.737 5 2HA GLY 1 1HA GLY 1 16.487 16.544 23.005 6 H CYS 2 H CYS 2 17.337 17.673 20.823 7 HA CYS 2 HA CYS 2 18.579 20.258 21.585 8 1HB CYS 2 2HB CYS 2 19.027 18.456 19.185 9 2HB CYS 2 1HB CYS 2 19.351 20.166 19.066 10 HA HYP 3 HA HYP 3 18.819 22.138 19.459 11 1HB HYP 3 1HB HYP 3 17.876 23.961 18.434 12 2HB HYP 3 2HB HYP 3 17.677 24.641 20.015 13 1HD HYP 3 1HD HYP 3 15.311 21.653 18.514 14 2HD HYP 3 2HD HYP 3 14.831 21.885 20.203 15 HOD HYP 3 HOD HYP 3 15.481 23.264 17.481 16 HG HYP 3 HG HYP 3 15.412 24.176 20.147 17 H DTR 4 HN DTR 4 19.917 23.871 20.776 18 HA DTR 4 HA DTR 4 19.490 23.396 23.701 19 1HB DTR 4 1HB DTR 4 20.482 25.722 23.950 20 2HB DTR 4 2HB DTR 4 18.969 25.663 23.137 21 HD1 DTR 4 HD1 DTR 4 18.865 26.504 20.651 22 HE1 DTR 4 HE1 DTR 4 20.662 27.554 19.253 23 HZ2 DTR 4 HZ2 DTR 4 23.599 27.974 19.273 24 HH2 DTR 4 HH2 DTR 4 25.492 27.478 20.786 25 HZ3 DTR 4 HZ3 DTR 4 25.116 26.236 22.904 26 HE3 DTR 4 HE3 DTR 4 22.788 25.540 23.512 27 H GLN 5 H GLN 5 21.711 22.686 21.250 28 HA GLN 5 HA GLN 5 23.844 22.387 23.323 29 1HB GLN 5 2HB GLN 5 22.705 20.449 21.377 30 2HB GLN 5 1HB GLN 5 24.417 20.413 21.440 31 1HG GLN 5 2HG GLN 5 23.614 18.801 23.038 32 2HG GLN 5 1HG GLN 5 24.249 20.130 23.984 33 1HE2 GLN 5 1HE2 GLN 5 21.064 19.832 22.318 34 2HE2 GLN 5 2HE2 GLN 5 20.153 20.028 23.730 35 HA PRO 6 HA PRO 6 26.209 25.148 20.983 36 1HB PRO 6 2HB PRO 6 28.807 24.185 21.659 37 2HB PRO 6 1HB PRO 6 27.871 25.419 22.473 38 1HG PRO 6 2HG PRO 6 28.320 22.635 23.293 39 2HG PRO 6 1HG PRO 6 27.786 23.979 24.262 40 1HD PRO 6 2HD PRO 6 26.129 21.867 23.359 41 2HD PRO 6 1HD PRO 6 25.557 23.441 23.985 42 H TRP 7 H TRP 7 26.678 21.912 20.238 43 HA TRP 7 HA TRP 7 27.908 22.575 17.608 44 1HB TRP 7 2HB TRP 7 29.402 20.795 17.817 45 2HB TRP 7 1HB TRP 7 29.352 21.297 19.485 46 HD1 TRP 7 HD1 TRP 7 28.727 18.429 17.225 47 HE1 TRP 7 HE1 TRP 7 27.685 16.571 18.559 48 HE3 TRP 7 HE3 TRP 7 27.492 20.939 21.313 49 HZ2 TRP 7 HZ2 TRP 7 26.342 16.093 21.092 50 HZ3 TRP 7 HZ3 TRP 7 26.342 19.816 23.273 51 HH2 TRP 7 HH2 TRP 7 25.775 17.413 23.121 52 H CY3 8 H CYS 8 25.119 21.891 18.932 53 HA CY3 8 HA CYS 8 24.604 19.482 17.580 54 1HB CY3 8 1HB CYS 8 22.181 21.176 18.045 55 2HB CY3 8 2HB CYS 8 23.139 20.960 19.432 56 1HN1 CY3 8 1HN CYS 8 23.988 19.402 15.280 57 2HN1 CY3 8 2HN CYS 8 23.622 20.776 14.316 Start of MODEL 17 1 1H GLY 1 1H GLY 1 18.092 18.673 24.799 2 2H GLY 1 2H GLY 1 18.297 17.066 25.281 3 3H GLY 1 3H GLY 1 16.758 17.767 25.275 4 1HA GLY 1 2HA GLY 1 18.013 16.356 23.197 5 2HA GLY 1 1HA GLY 1 16.452 17.185 23.138 6 H CYS 2 H CYS 2 17.361 17.717 20.847 7 HA CYS 2 HA CYS 2 19.064 20.161 20.997 8 1HB CYS 2 2HB CYS 2 18.720 18.153 18.735 9 2HB CYS 2 1HB CYS 2 19.599 19.658 18.593 10 HA HYP 3 HA HYP 3 19.263 22.019 19.386 11 1HB HYP 3 1HB HYP 3 18.678 24.050 18.543 12 2HB HYP 3 2HB HYP 3 18.058 24.526 20.105 13 1HD HYP 3 1HD HYP 3 15.575 21.725 18.387 14 2HD HYP 3 2HD HYP 3 15.318 22.270 20.040 15 HOD HYP 3 HOD HYP 3 17.233 24.381 17.205 16 HG HYP 3 HG HYP 3 15.894 24.460 19.261 17 H DTR 4 HN DTR 4 20.293 23.647 21.061 18 HA DTR 4 HA DTR 4 19.569 22.719 23.825 19 1HB DTR 4 1HB DTR 4 20.546 25.062 24.474 20 2HB DTR 4 2HB DTR 4 18.944 24.990 23.795 21 HD1 DTR 4 HD1 DTR 4 18.557 26.153 21.463 22 HE1 DTR 4 HE1 DTR 4 20.139 27.484 20.020 23 HZ2 DTR 4 HZ2 DTR 4 23.050 28.132 19.901 24 HH2 DTR 4 HH2 DTR 4 25.080 27.578 21.173 25 HZ3 DTR 4 HZ3 DTR 4 24.947 26.080 23.156 26 HE3 DTR 4 HE3 DTR 4 22.724 25.139 23.826 27 H GLN 5 H GLN 5 21.771 22.284 21.510 28 HA GLN 5 HA GLN 5 24.010 21.975 23.465 29 1HB GLN 5 2HB GLN 5 22.811 20.080 21.488 30 2HB GLN 5 1HB GLN 5 24.553 20.195 21.372 31 1HG GLN 5 2HG GLN 5 24.236 18.428 22.856 32 2HG GLN 5 1HG GLN 5 24.573 19.748 23.961 33 1HE2 GLN 5 1HE2 GLN 5 22.349 20.986 24.617 34 2HE2 GLN 5 2HE2 GLN 5 21.051 19.948 24.930 35 HA PRO 6 HA PRO 6 25.646 25.158 21.056 36 1HB PRO 6 2HB PRO 6 28.445 24.556 21.435 37 2HB PRO 6 1HB PRO 6 27.455 25.700 22.304 38 1HG PRO 6 2HG PRO 6 28.381 23.055 23.199 39 2HG PRO 6 1HG PRO 6 27.629 24.320 24.159 40 1HD PRO 6 2HD PRO 6 26.382 21.891 23.341 41 2HD PRO 6 1HD PRO 6 25.575 23.298 24.045 42 H TRP 7 H TRP 7 26.671 22.088 20.193 43 HA TRP 7 HA TRP 7 27.476 22.991 17.465 44 1HB TRP 7 2HB TRP 7 29.221 21.485 17.470 45 2HB TRP 7 1HB TRP 7 29.248 21.950 19.166 46 HD1 TRP 7 HD1 TRP 7 29.044 19.063 16.932 47 HE1 TRP 7 HE1 TRP 7 28.474 16.990 18.301 48 HE3 TRP 7 HE3 TRP 7 27.600 21.186 21.122 49 HZ2 TRP 7 HZ2 TRP 7 27.535 16.265 20.934 50 HZ3 TRP 7 HZ3 TRP 7 26.874 19.875 23.146 51 HH2 TRP 7 HH2 TRP 7 26.834 17.411 23.015 52 H CY3 8 H CYS 8 24.923 21.780 19.000 53 HA CY3 8 HA CYS 8 24.763 19.413 17.401 54 1HB CY3 8 1HB CYS 8 22.418 20.619 18.916 55 2HB CY3 8 2HB CYS 8 23.640 19.568 19.606 56 1HN1 CY3 8 1HN CYS 8 25.074 21.584 15.639 57 2HN1 CY3 8 2HN CYS 8 23.661 22.002 14.814 Start of MODEL 18 1 1H GLY 1 1H GLY 1 15.674 16.186 23.394 2 2H GLY 1 2H GLY 1 16.016 17.764 23.848 3 3H GLY 1 3H GLY 1 16.359 16.549 24.937 4 1HA GLY 1 2HA GLY 1 18.392 16.360 24.100 5 2HA GLY 1 1HA GLY 1 17.671 16.001 22.516 6 H CYS 2 H CYS 2 17.621 17.621 20.980 7 HA CYS 2 HA CYS 2 18.722 20.281 21.649 8 1HB CYS 2 2HB CYS 2 19.298 18.490 19.304 9 2HB CYS 2 1HB CYS 2 19.779 20.155 19.327 10 HA HYP 3 HA HYP 3 19.227 22.179 19.543 11 1HB HYP 3 1HB HYP 3 18.629 24.161 18.674 12 2HB HYP 3 2HB HYP 3 17.810 24.615 20.168 13 1HD HYP 3 1HD HYP 3 16.018 21.585 18.037 14 2HD HYP 3 2HD HYP 3 15.217 21.998 19.532 15 HOD HYP 3 HOD HYP 3 15.956 23.452 16.928 16 HG HYP 3 HG HYP 3 15.742 24.286 19.141 17 H DTR 4 HN DTR 4 20.266 23.736 21.019 18 HA DTR 4 HA DTR 4 19.581 23.092 23.868 19 1HB DTR 4 1HB DTR 4 20.567 25.439 24.371 20 2HB DTR 4 2HB DTR 4 18.974 25.366 23.706 21 HD1 DTR 4 HD1 DTR 4 18.549 26.802 21.550 22 HE1 DTR 4 HE1 DTR 4 20.128 28.128 20.107 23 HZ2 DTR 4 HZ2 DTR 4 23.004 28.542 19.746 24 HH2 DTR 4 HH2 DTR 4 25.110 27.720 20.764 25 HZ3 DTR 4 HZ3 DTR 4 25.045 26.088 22.638 26 HE3 DTR 4 HE3 DTR 4 22.848 25.293 23.468 27 H GLN 5 H GLN 5 21.793 22.592 21.498 28 HA GLN 5 HA GLN 5 24.054 22.417 23.438 29 1HB GLN 5 2HB GLN 5 22.733 20.284 21.913 30 2HB GLN 5 1HB GLN 5 24.379 20.390 21.402 31 1HG GLN 5 2HG GLN 5 24.580 18.893 23.126 32 2HG GLN 5 1HG GLN 5 24.937 20.342 23.996 33 1HE2 GLN 5 1HE2 GLN 5 22.306 21.369 24.363 34 2HE2 GLN 5 2HE2 GLN 5 21.425 20.271 25.320 35 HA PRO 6 HA PRO 6 25.864 25.291 20.800 36 1HB PRO 6 2HB PRO 6 28.626 24.600 21.163 37 2HB PRO 6 1HB PRO 6 27.688 25.757 22.091 38 1HG PRO 6 2HG PRO 6 28.539 23.059 22.886 39 2HG PRO 6 1HG PRO 6 27.913 24.348 23.890 40 1HD PRO 6 2HD PRO 6 26.481 22.006 23.134 41 2HD PRO 6 1HD PRO 6 25.797 23.464 23.870 42 H TRP 7 H TRP 7 26.870 22.131 20.150 43 HA TRP 7 HA TRP 7 27.597 22.856 17.347 44 1HB TRP 7 2HB TRP 7 29.308 21.273 17.434 45 2HB TRP 7 1HB TRP 7 29.342 21.819 19.116 46 HD1 TRP 7 HD1 TRP 7 28.936 18.851 16.969 47 HE1 TRP 7 HE1 TRP 7 28.307 16.887 18.418 48 HE3 TRP 7 HE3 TRP 7 27.720 21.207 21.181 49 HZ2 TRP 7 HZ2 TRP 7 27.359 16.287 21.058 50 HZ3 TRP 7 HZ3 TRP 7 26.965 19.956 23.211 51 HH2 TRP 7 HH2 TRP 7 26.768 17.500 23.123 52 H CY3 8 H CYS 8 25.104 21.726 19.073 53 HA CY3 8 HA CYS 8 24.696 19.288 17.793 54 1HB CY3 8 1HB CYS 8 22.149 20.727 18.294 55 2HB CY3 8 2HB CYS 8 23.192 20.710 19.664 56 1HN1 CY3 8 1HN CYS 8 24.060 22.561 16.727 57 2HN1 CY3 8 2HN CYS 8 23.393 22.187 15.203 Start of MODEL 19 1 1H GLY 1 1H GLY 1 18.355 16.291 24.996 2 2H GLY 1 2H GLY 1 16.924 17.222 25.110 3 3H GLY 1 3H GLY 1 18.383 17.938 24.643 4 1HA GLY 1 2HA GLY 1 17.961 15.915 22.818 5 2HA GLY 1 1HA GLY 1 16.434 16.823 23.023 6 H CYS 2 H CYS 2 16.848 17.769 20.884 7 HA CYS 2 HA CYS 2 18.786 20.029 21.055 8 1HB CYS 2 2HB CYS 2 18.389 17.918 18.992 9 2HB CYS 2 1HB CYS 2 18.435 19.523 18.341 10 HA HYP 3 HA HYP 3 19.158 21.643 19.466 11 1HB HYP 3 1HB HYP 3 18.887 23.512 18.208 12 2HB HYP 3 2HB HYP 3 18.644 24.417 19.694 13 1HD HYP 3 1HD HYP 3 15.651 21.965 18.233 14 2HD HYP 3 2HD HYP 3 15.224 22.588 19.803 15 HOD HYP 3 HOD HYP 3 15.933 23.640 17.047 16 HG HYP 3 HG HYP 3 16.349 24.643 19.290 17 H DTR 4 HN DTR 4 20.300 23.541 20.806 18 HA DTR 4 HA DTR 4 19.581 23.055 23.687 19 1HB DTR 4 1HB DTR 4 20.483 25.429 24.066 20 2HB DTR 4 2HB DTR 4 18.943 25.283 23.260 21 HD1 DTR 4 HD1 DTR 4 18.714 26.374 20.891 22 HE1 DTR 4 HE1 DTR 4 20.384 27.627 19.513 23 HZ2 DTR 4 HZ2 DTR 4 23.259 28.182 19.424 24 HH2 DTR 4 HH2 DTR 4 25.267 27.622 20.755 25 HZ3 DTR 4 HZ3 DTR 4 25.069 26.204 22.786 26 HE3 DTR 4 HE3 DTR 4 22.813 25.342 23.448 27 H GLN 5 H GLN 5 22.008 22.633 21.402 28 HA GLN 5 HA GLN 5 24.061 22.560 23.555 29 1HB GLN 5 2HB GLN 5 24.195 20.499 21.319 30 2HB GLN 5 1HB GLN 5 24.758 20.387 23.002 31 1HG GLN 5 2HG GLN 5 21.767 20.371 22.490 32 2HG GLN 5 1HG GLN 5 22.726 18.967 22.235 33 1HE2 GLN 5 1HE2 GLN 5 24.265 20.578 24.761 34 2HE2 GLN 5 2HE2 GLN 5 23.501 19.754 26.029 35 HA PRO 6 HA PRO 6 26.174 25.296 20.926 36 1HB PRO 6 2HB PRO 6 28.865 24.334 21.388 37 2HB PRO 6 1HB PRO 6 28.065 25.702 22.095 38 1HG PRO 6 2HG PRO 6 28.592 23.104 23.338 39 2HG PRO 6 1HG PRO 6 27.975 24.559 24.096 40 1HD PRO 6 2HD PRO 6 26.469 22.202 23.528 41 2HD PRO 6 1HD PRO 6 25.816 23.766 24.057 42 H TRP 7 H TRP 7 26.636 22.063 20.237 43 HA TRP 7 HA TRP 7 27.596 22.674 17.455 44 1HB TRP 7 2HB TRP 7 28.989 20.805 17.502 45 2HB TRP 7 1HB TRP 7 29.178 21.352 19.155 46 HD1 TRP 7 HD1 TRP 7 28.034 18.478 17.094 47 HE1 TRP 7 HE1 TRP 7 27.085 16.722 18.641 48 HE3 TRP 7 HE3 TRP 7 27.678 21.126 21.271 49 HZ2 TRP 7 HZ2 TRP 7 26.213 16.431 21.410 50 HZ3 TRP 7 HZ3 TRP 7 26.832 20.152 23.408 51 HH2 TRP 7 HH2 TRP 7 26.106 17.791 23.448 52 H CY3 8 H CYS 8 25.060 21.809 19.236 53 HA CY3 8 HA CYS 8 24.043 19.549 18.358 54 1HB CY3 8 1HB CYS 8 22.612 22.209 18.680 55 2HB CY3 8 2HB CYS 8 22.646 20.885 19.811 56 1HN1 CY3 8 1HN CYS 8 24.024 22.487 16.338 57 2HN1 CY3 8 2HN CYS 8 23.542 21.730 14.902 Start of MODEL 20 1 1H GLY 1 1H GLY 1 16.167 16.821 24.541 2 2H GLY 1 2H GLY 1 17.550 17.746 24.545 3 3H GLY 1 3H GLY 1 17.654 16.083 24.820 4 1HA GLY 1 2HA GLY 1 17.949 15.810 22.594 5 2HA GLY 1 1HA GLY 1 16.309 16.465 22.388 6 H CYS 2 H CYS 2 17.522 17.495 20.402 7 HA CYS 2 HA CYS 2 18.975 19.957 21.245 8 1HB CYS 2 2HB CYS 2 18.777 18.525 18.572 9 2HB CYS 2 1HB CYS 2 19.596 20.020 18.764 10 HA HYP 3 HA HYP 3 19.468 21.917 19.438 11 1HB HYP 3 1HB HYP 3 19.161 24.062 18.689 12 2HB HYP 3 2HB HYP 3 18.213 24.504 20.111 13 1HD HYP 3 1HD HYP 3 15.985 21.724 18.108 14 2HD HYP 3 2HD HYP 3 15.495 22.511 19.683 15 HOD HYP 3 HOD HYP 3 18.061 24.153 17.006 16 HG HYP 3 HG HYP 3 16.381 24.504 18.617 17 H DTR 4 HN DTR 4 20.355 23.821 21.065 18 HA DTR 4 HA DTR 4 19.757 22.757 23.803 19 1HB DTR 4 1HB DTR 4 20.274 25.171 24.587 20 2HB DTR 4 2HB DTR 4 18.746 24.883 23.805 21 HD1 DTR 4 HD1 DTR 4 18.164 26.337 21.712 22 HE1 DTR 4 HE1 DTR 4 19.515 28.079 20.505 23 HZ2 DTR 4 HZ2 DTR 4 22.259 29.101 20.400 24 HH2 DTR 4 HH2 DTR 4 24.411 28.683 21.539 25 HZ3 DTR 4 HZ3 DTR 4 24.581 26.914 23.272 26 HE3 DTR 4 HE3 DTR 4 22.570 25.599 23.843 27 H GLN 5 H GLN 5 22.076 22.647 21.615 28 HA GLN 5 HA GLN 5 24.279 23.059 23.580 29 1HB GLN 5 2HB GLN 5 23.319 20.548 22.401 30 2HB GLN 5 1HB GLN 5 24.952 20.807 21.881 31 1HG GLN 5 2HG GLN 5 24.774 19.450 23.998 32 2HG GLN 5 1HG GLN 5 25.739 20.917 24.246 33 1HE2 GLN 5 1HE2 GLN 5 22.191 20.243 24.332 34 2HE2 GLN 5 2HE2 GLN 5 21.967 20.985 25.857 35 HA PRO 6 HA PRO 6 26.175 25.490 20.569 36 1HB PRO 6 2HB PRO 6 28.892 24.616 20.785 37 2HB PRO 6 1HB PRO 6 28.133 25.947 21.627 38 1HG PRO 6 2HG PRO 6 28.817 23.274 22.680 39 2HG PRO 6 1HG PRO 6 28.385 24.706 23.586 40 1HD PRO 6 2HD PRO 6 26.749 22.413 23.153 41 2HD PRO 6 1HD PRO 6 26.199 23.954 23.811 42 H TRP 7 H TRP 7 26.646 22.155 20.155 43 HA TRP 7 HA TRP 7 27.117 22.504 17.215 44 1HB TRP 7 2HB TRP 7 28.744 20.831 17.227 45 2HB TRP 7 1HB TRP 7 29.115 21.567 18.766 46 HD1 TRP 7 HD1 TRP 7 28.121 18.374 17.192 47 HE1 TRP 7 HE1 TRP 7 27.819 16.645 19.026 48 HE3 TRP 7 HE3 TRP 7 27.995 21.360 21.069 49 HZ2 TRP 7 HZ2 TRP 7 27.510 16.518 21.911 50 HZ3 TRP 7 HZ3 TRP 7 27.700 20.521 23.423 51 HH2 TRP 7 HH2 TRP 7 27.456 18.101 23.822 52 H CY3 8 H CYS 8 24.841 21.996 19.205 53 HA CY3 8 HA CYS 8 24.135 19.347 18.677 54 1HB CY3 8 1HB CYS 8 21.722 21.092 19.024 55 2HB CY3 8 2HB CYS 8 22.953 21.552 20.114 56 1HN1 CY3 8 1HN CYS 8 24.437 19.232 16.252 57 2HN1 CY3 8 2HN CYS 8 23.306 19.877 15.166
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