NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582082 | 2ru2 | 11543 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 1HT CYS 1 2.331 0.014 -0.952 2 H2 CYS 1 2HT CYS 1 3.944 0.123 -0.488 3 H3 CYS 1 3HT CYS 1 2.846 1.334 -0.015 4 HA CYS 1 HA CYS 1 3.331 -0.137 1.819 5 HB2 CYS 1 2HB CYS 1 0.590 -0.826 0.750 6 HB3 CYS 1 1HB CYS 1 1.069 -0.549 2.420 7 H TYR 2 H TYR 2 3.156 -2.393 2.603 8 HA TYR 2 HA TYR 2 3.803 -4.217 0.451 9 HB2 TYR 2 2HB TYR 2 3.980 -4.500 3.460 10 HB3 TYR 2 1HB TYR 2 4.353 -5.805 2.340 11 HD1 TYR 2 2HD TYR 2 6.297 -5.657 0.863 12 HD2 TYR 2 1HD TYR 2 5.520 -2.654 3.771 13 HE1 TYR 2 2HE TYR 2 8.575 -4.835 0.599 14 HE2 TYR 2 1HE TYR 2 7.803 -1.811 3.511 15 HH TYR 2 HH TYR 2 10.029 -2.701 2.747 16 H ILE 3 H ILE 3 1.389 -3.665 2.887 17 HA ILE 3 HA ILE 3 -0.182 -5.887 1.901 18 HB ILE 3 HB ILE 3 -1.016 -3.642 3.757 19 HG12 ILE 3 2HG1 ILE 3 0.056 -6.376 4.519 20 HG13 ILE 3 1HG1 ILE 3 0.945 -4.868 4.677 21 HG21 ILE 3 1HG2 ILE 3 -2.737 -5.266 4.514 22 HG22 ILE 3 2HG2 ILE 3 -2.173 -6.398 3.282 23 HG23 ILE 3 3HG2 ILE 3 -2.890 -4.856 2.806 24 HD11 ILE 3 3HD1 ILE 3 -0.692 -4.079 6.310 25 HD12 ILE 3 1HD1 ILE 3 0.040 -5.604 6.809 26 HD13 ILE 3 2HD1 ILE 3 -1.592 -5.586 6.137 27 H GLN 4 H GLN 4 -1.647 -5.597 0.296 28 HA GLN 4 HA GLN 4 -1.568 -3.037 -0.993 29 HB2 GLN 4 2HB GLN 4 -2.717 -5.636 -1.939 30 HB3 GLN 4 1HB GLN 4 -2.942 -4.131 -2.822 31 HG2 GLN 4 2HG GLN 4 -0.330 -5.428 -2.148 32 HG3 GLN 4 1HG GLN 4 -1.083 -5.368 -3.745 33 HE21 GLN 4 1HE2 GLN 4 -1.133 -3.351 -4.830 34 HE22 GLN 4 2HE2 GLN 4 -0.061 -2.076 -4.406 35 H GLY 5 H GLY 5 -3.451 -4.212 1.266 36 HA2 GLY 5 2HA GLY 5 -5.823 -2.662 0.611 37 HA3 GLY 5 1HA GLY 5 -5.473 -3.409 2.177 38 H CYS 6 H CYS 6 -3.919 -1.093 0.096 39 HA CYS 6 HA CYS 6 -3.905 1.147 1.811 40 HB2 CYS 6 2HB CYS 6 -2.269 -0.271 3.033 41 HB3 CYS 6 1HB CYS 6 -1.367 -0.507 1.545 42 H THR 7 H THR 7 -3.911 2.706 0.214 43 HA THR 7 HA THR 7 -2.765 1.967 -2.369 44 HB THR 7 HB THR 7 -4.541 4.339 -1.909 45 HG1 THR 7 1HG THR 7 -5.903 2.871 -1.120 46 HG21 THR 7 3HG2 THR 7 -5.246 3.798 -4.198 47 HG22 THR 7 1HG2 THR 7 -4.195 2.384 -4.190 48 HG23 THR 7 2HG2 THR 7 -3.494 3.998 -4.102 49 H LEU 8 H LEU 8 -1.293 3.313 -3.355 50 HA LEU 8 HA LEU 8 0.307 5.079 -1.852 51 HB2 LEU 8 2HB LEU 8 1.009 3.926 -3.978 52 HB3 LEU 8 1HB LEU 8 -0.066 4.993 -4.852 53 HG LEU 8 HG LEU 8 1.286 6.930 -4.041 54 HD11 LEU 8 1HD1 LEU 8 3.518 6.522 -3.176 55 HD12 LEU 8 2HD1 LEU 8 3.190 4.792 -3.126 56 HD13 LEU 8 3HD1 LEU 8 2.283 5.890 -2.087 57 HD21 LEU 8 3HD2 LEU 8 3.155 6.548 -5.571 58 HD22 LEU 8 1HD2 LEU 8 1.615 6.059 -6.269 59 HD23 LEU 8 2HD2 LEU 8 2.728 4.837 -5.653 60 H SER 9 H SER 9 -0.290 7.025 -1.160 61 HA SER 9 HA SER 9 -2.392 8.437 -2.620 62 HB2 SER 9 2HB SER 9 -1.574 8.703 0.270 63 HB3 SER 9 1HB SER 9 -2.997 9.410 -0.501 64 HG SER 9 HG SER 9 -2.608 6.643 -0.639 65 HN1 NH2 10 1H SER 9 -0.916 9.417 -4.019 66 HN2 NH2 10 2H SER 9 0.204 10.637 -3.522 Start of MODEL 2 1 H1 CYS 1 1HT CYS 1 2.859 0.127 -0.990 2 H2 CYS 1 2HT CYS 1 4.337 0.237 -0.190 3 H3 CYS 1 3HT CYS 1 3.169 1.437 0.042 4 HA CYS 1 HA CYS 1 3.283 -0.085 1.910 5 HB2 CYS 1 2HB CYS 1 0.785 -0.565 0.253 6 HB3 CYS 1 1HB CYS 1 0.909 -0.600 2.005 7 H TYR 2 H TYR 2 3.063 -2.345 2.604 8 HA TYR 2 HA TYR 2 3.881 -4.220 0.538 9 HB2 TYR 2 2HB TYR 2 3.450 -4.643 3.506 10 HB3 TYR 2 1HB TYR 2 4.135 -5.820 2.397 11 HD1 TYR 2 1HD TYR 2 6.257 -4.830 1.042 12 HD2 TYR 2 2HD TYR 2 4.896 -3.518 4.851 13 HE1 TYR 2 1HE TYR 2 8.493 -4.003 1.547 14 HE2 TYR 2 2HE TYR 2 7.126 -2.679 5.369 15 HH TYR 2 HH TYR 2 9.430 -3.156 4.669 16 H ILE 3 H ILE 3 1.399 -3.779 2.974 17 HA ILE 3 HA ILE 3 -0.270 -5.875 1.979 18 HB ILE 3 HB ILE 3 -1.014 -3.517 3.733 19 HG12 ILE 3 2HG1 ILE 3 -0.042 -6.266 4.555 20 HG13 ILE 3 1HG1 ILE 3 0.865 -4.768 4.696 21 HG21 ILE 3 1HG2 ILE 3 -2.822 -4.993 4.559 22 HG22 ILE 3 2HG2 ILE 3 -2.339 -6.209 3.377 23 HG23 ILE 3 3HG2 ILE 3 -2.962 -4.648 2.838 24 HD11 ILE 3 3HD1 ILE 3 -0.735 -3.939 6.330 25 HD12 ILE 3 1HD1 ILE 3 -0.050 -5.479 6.836 26 HD13 ILE 3 2HD1 ILE 3 -1.681 -5.418 6.167 27 H GLN 4 H GLN 4 -1.762 -5.694 0.438 28 HA GLN 4 HA GLN 4 -1.648 -3.405 -1.273 29 HB2 GLN 4 2HB GLN 4 -3.287 -5.919 -1.477 30 HB3 GLN 4 1HB GLN 4 -3.269 -4.664 -2.708 31 HG2 GLN 4 2HG GLN 4 -0.912 -5.006 -3.083 32 HG3 GLN 4 1HG GLN 4 -0.850 -6.195 -1.788 33 HE21 GLN 4 1HE2 GLN 4 -3.403 -7.401 -2.540 34 HE22 GLN 4 2HE2 GLN 4 -3.113 -8.285 -3.981 35 H GLY 5 H GLY 5 -3.531 -4.316 1.190 36 HA2 GLY 5 2HA GLY 5 -5.808 -2.597 0.634 37 HA3 GLY 5 1HA GLY 5 -5.502 -3.425 2.162 38 H CYS 6 H CYS 6 -3.895 -1.037 0.192 39 HA CYS 6 HA CYS 6 -3.821 0.920 2.328 40 HB2 CYS 6 2HB CYS 6 -1.774 -0.487 2.618 41 HB3 CYS 6 1HB CYS 6 -1.347 -0.176 0.944 42 H THR 7 H THR 7 -4.538 2.677 1.264 43 HA THR 7 HA THR 7 -4.559 2.679 -1.611 44 HB THR 7 HB THR 7 -5.587 4.790 0.254 45 HG1 THR 7 1HG THR 7 -6.927 2.449 -0.713 46 HG21 THR 7 3HG2 THR 7 -6.471 3.890 -2.501 47 HG22 THR 7 1HG2 THR 7 -5.580 5.369 -2.135 48 HG23 THR 7 2HG2 THR 7 -7.231 5.166 -1.551 49 H LEU 8 H LEU 8 -3.626 4.219 -2.868 50 HA LEU 8 HA LEU 8 -1.738 6.112 -1.668 51 HB2 LEU 8 2HB LEU 8 -0.497 4.238 -2.657 52 HB3 LEU 8 1HB LEU 8 -1.399 4.401 -4.145 53 HG LEU 8 HG LEU 8 -0.345 6.608 -4.523 54 HD11 LEU 8 1HD1 LEU 8 1.304 5.917 -2.104 55 HD12 LEU 8 2HD1 LEU 8 0.115 7.215 -2.218 56 HD13 LEU 8 3HD1 LEU 8 1.581 7.270 -3.200 57 HD21 LEU 8 3HD2 LEU 8 1.873 5.744 -5.099 58 HD22 LEU 8 1HD2 LEU 8 0.601 4.607 -5.537 59 HD23 LEU 8 2HD2 LEU 8 1.580 4.322 -4.098 60 H SER 9 H SER 9 -2.082 8.162 -2.417 61 HA SER 9 HA SER 9 -3.301 8.528 -5.012 62 HB2 SER 9 2HB SER 9 -4.459 9.769 -2.491 63 HB3 SER 9 1HB SER 9 -5.000 10.093 -4.137 64 HG SER 9 HG SER 9 -4.950 7.475 -3.748 65 HN1 NH2 10 1H SER 9 -1.130 9.152 -5.395 66 HN2 NH2 10 2H SER 9 -0.555 10.717 -4.944 Start of MODEL 3 1 H1 CYS 1 1HT CYS 1 4.512 0.189 0.406 2 H2 CYS 1 2HT CYS 1 3.408 1.457 0.519 3 H3 CYS 1 3HT CYS 1 3.315 0.353 -0.774 4 HA CYS 1 HA CYS 1 2.904 -0.278 2.072 5 HB2 CYS 1 2HB CYS 1 0.931 -0.309 -0.228 6 HB3 CYS 1 1HB CYS 1 0.596 -0.668 1.454 7 H TYR 2 H TYR 2 3.355 -2.361 2.489 8 HA TYR 2 HA TYR 2 3.753 -4.183 0.265 9 HB2 TYR 2 2HB TYR 2 5.455 -4.158 2.054 10 HB3 TYR 2 1HB TYR 2 4.227 -4.553 3.247 11 HD1 TYR 2 1HD TYR 2 5.394 -5.961 -0.034 12 HD2 TYR 2 2HD TYR 2 4.320 -6.726 4.008 13 HE1 TYR 2 1HE TYR 2 5.861 -8.342 -0.368 14 HE2 TYR 2 2HE TYR 2 4.777 -9.104 3.691 15 HH TYR 2 HH TYR 2 6.421 -10.324 0.974 16 H ILE 3 H ILE 3 1.404 -3.295 2.491 17 HA ILE 3 HA ILE 3 -0.167 -5.714 2.111 18 HB ILE 3 HB ILE 3 -0.836 -3.137 3.573 19 HG12 ILE 3 2HG1 ILE 3 0.095 -5.797 4.685 20 HG13 ILE 3 1HG1 ILE 3 1.032 -4.314 4.634 21 HG21 ILE 3 1HG2 ILE 3 -2.278 -5.793 3.583 22 HG22 ILE 3 2HG2 ILE 3 -2.850 -4.287 2.869 23 HG23 ILE 3 3HG2 ILE 3 -2.668 -4.419 4.617 24 HD11 ILE 3 3HD1 ILE 3 0.155 -4.735 6.855 25 HD12 ILE 3 1HD1 ILE 3 -1.488 -4.758 6.215 26 HD13 ILE 3 2HD1 ILE 3 -0.547 -3.268 6.167 27 H GLN 4 H GLN 4 -1.873 -5.731 0.710 28 HA GLN 4 HA GLN 4 -1.782 -3.729 -1.316 29 HB2 GLN 4 2HB GLN 4 -3.437 -5.035 -2.553 30 HB3 GLN 4 1HB GLN 4 -2.123 -6.046 -1.989 31 HG2 GLN 4 2HG GLN 4 -3.553 -6.810 -0.136 32 HG3 GLN 4 1HG GLN 4 -4.871 -5.847 -0.802 33 HE21 GLN 4 1HE2 GLN 4 -2.928 -8.669 -1.191 34 HE22 GLN 4 2HE2 GLN 4 -3.851 -9.377 -2.452 35 H GLY 5 H GLY 5 -3.735 -4.323 1.252 36 HA2 GLY 5 2HA GLY 5 -5.787 -2.407 0.471 37 HA3 GLY 5 1HA GLY 5 -5.721 -3.239 2.023 38 H CYS 6 H CYS 6 -4.010 -0.877 0.116 39 HA CYS 6 HA CYS 6 -3.770 0.879 2.412 40 HB2 CYS 6 2HB CYS 6 -1.786 -0.579 2.560 41 HB3 CYS 6 1HB CYS 6 -1.379 -0.184 0.898 42 H THR 7 H THR 7 -4.714 2.638 1.479 43 HA THR 7 HA THR 7 -4.271 3.273 -1.254 44 HB THR 7 HB THR 7 -5.569 5.397 -0.424 45 HG1 THR 7 1HG THR 7 -6.150 5.382 1.595 46 HG21 THR 7 3HG2 THR 7 -6.835 2.647 -0.329 47 HG22 THR 7 1HG2 THR 7 -6.596 3.620 -1.778 48 HG23 THR 7 2HG2 THR 7 -7.710 4.163 -0.524 49 H LEU 8 H LEU 8 -2.429 4.186 -1.887 50 HA LEU 8 HA LEU 8 -0.523 5.194 -0.063 51 HB2 LEU 8 2HB LEU 8 0.064 4.110 -2.194 52 HB3 LEU 8 1HB LEU 8 -0.642 5.456 -3.063 53 HG LEU 8 HG LEU 8 1.081 6.947 -2.103 54 HD11 LEU 8 1HD1 LEU 8 1.574 5.732 -0.065 55 HD12 LEU 8 2HD1 LEU 8 3.043 5.948 -1.017 56 HD13 LEU 8 3HD1 LEU 8 2.223 4.388 -1.001 57 HD21 LEU 8 3HD2 LEU 8 1.378 5.941 -4.303 58 HD22 LEU 8 1HD2 LEU 8 2.133 4.531 -3.565 59 HD23 LEU 8 2HD2 LEU 8 2.923 6.104 -3.468 60 H SER 9 H SER 9 -0.677 7.041 0.924 61 HA SER 9 HA SER 9 -2.103 9.247 -0.379 62 HB2 SER 9 2HB SER 9 -1.499 8.899 2.556 63 HB3 SER 9 1HB SER 9 -2.659 10.007 1.818 64 HG SER 9 HG SER 9 -2.984 7.352 1.175 65 HN1 NH2 10 1H SER 9 -0.348 10.082 -1.513 66 HN2 NH2 10 2H SER 9 1.040 10.774 -0.760 Start of MODEL 4 1 H1 CYS 1 1HT CYS 1 3.174 1.534 0.143 2 H2 CYS 1 2HT CYS 1 2.772 0.268 -0.908 3 H3 CYS 1 3HT CYS 1 4.319 0.349 -0.237 4 HA CYS 1 HA CYS 1 3.421 0.003 1.953 5 HB2 CYS 1 2HB CYS 1 0.840 -0.497 0.450 6 HB3 CYS 1 1HB CYS 1 1.088 -0.651 2.174 7 H TYR 2 H TYR 2 3.081 -2.244 2.674 8 HA TYR 2 HA TYR 2 4.008 -4.135 0.675 9 HB2 TYR 2 2HB TYR 2 3.614 -4.384 3.651 10 HB3 TYR 2 1HB TYR 2 4.184 -5.699 2.630 11 HD1 TYR 2 1HD TYR 2 6.394 -5.541 1.562 12 HD2 TYR 2 2HD TYR 2 5.053 -2.605 4.325 13 HE1 TYR 2 1HE TYR 2 8.682 -4.759 1.824 14 HE2 TYR 2 2HE TYR 2 7.342 -1.806 4.597 15 HH TYR 2 HH TYR 2 9.810 -2.673 2.484 16 H ILE 3 H ILE 3 1.260 -3.626 2.809 17 HA ILE 3 HA ILE 3 -0.068 -5.945 1.755 18 HB ILE 3 HB ILE 3 -1.993 -5.292 3.102 19 HG12 ILE 3 2HG1 ILE 3 -0.305 -2.949 4.001 20 HG13 ILE 3 1HG1 ILE 3 -1.711 -2.833 2.941 21 HG21 ILE 3 1HG2 ILE 3 0.626 -5.261 4.587 22 HG22 ILE 3 2HG2 ILE 3 -0.294 -6.685 4.098 23 HG23 ILE 3 3HG2 ILE 3 -0.948 -5.587 5.314 24 HD11 ILE 3 3HD1 ILE 3 -1.695 -3.851 5.744 25 HD12 ILE 3 1HD1 ILE 3 -3.101 -3.702 4.697 26 HD13 ILE 3 2HD1 ILE 3 -2.248 -2.238 5.238 27 H GLN 4 H GLN 4 -2.095 -5.828 0.619 28 HA GLN 4 HA GLN 4 -1.900 -3.799 -1.386 29 HB2 GLN 4 2HB GLN 4 -3.609 -5.005 -2.612 30 HB3 GLN 4 1HB GLN 4 -2.353 -6.098 -2.067 31 HG2 GLN 4 2HG GLN 4 -3.845 -6.750 -0.184 32 HG3 GLN 4 1HG GLN 4 -5.111 -5.767 -0.923 33 HE21 GLN 4 1HE2 GLN 4 -3.202 -8.614 -1.175 34 HE22 GLN 4 2HE2 GLN 4 -4.088 -9.355 -2.444 35 H GLY 5 H GLY 5 -3.639 -4.229 1.345 36 HA2 GLY 5 2HA GLY 5 -5.779 -2.379 0.659 37 HA3 GLY 5 1HA GLY 5 -5.533 -3.134 2.231 38 H CYS 6 H CYS 6 -3.392 -1.234 0.228 39 HA CYS 6 HA CYS 6 -3.481 1.070 1.898 40 HB2 CYS 6 2HB CYS 6 -2.036 -0.407 3.258 41 HB3 CYS 6 1HB CYS 6 -0.981 -0.639 1.873 42 H THR 7 H THR 7 -3.388 2.590 0.400 43 HA THR 7 HA THR 7 -1.485 2.305 -1.807 44 HB THR 7 HB THR 7 -4.116 3.705 -2.058 45 HG1 THR 7 1HG THR 7 -3.559 0.968 -2.679 46 HG21 THR 7 3HG2 THR 7 -2.429 4.120 -3.776 47 HG22 THR 7 1HG2 THR 7 -3.793 3.237 -4.465 48 HG23 THR 7 2HG2 THR 7 -2.296 2.388 -4.084 49 H LEU 8 H LEU 8 -0.408 4.229 -2.158 50 HA LEU 8 HA LEU 8 -1.017 6.322 -0.244 51 HB2 LEU 8 2HB LEU 8 1.239 7.284 -0.824 52 HB3 LEU 8 1HB LEU 8 1.251 5.751 0.001 53 HG LEU 8 HG LEU 8 1.752 4.654 -2.196 54 HD11 LEU 8 1HD1 LEU 8 2.556 6.004 -4.046 55 HD12 LEU 8 2HD1 LEU 8 2.158 7.475 -3.141 56 HD13 LEU 8 3HD1 LEU 8 0.872 6.384 -3.653 57 HD21 LEU 8 3HD2 LEU 8 3.666 6.753 -1.242 58 HD22 LEU 8 1HD2 LEU 8 4.084 5.351 -2.230 59 HD23 LEU 8 2HD2 LEU 8 3.471 5.125 -0.590 60 H SER 9 H SER 9 -1.180 8.493 -0.808 61 HA SER 9 HA SER 9 -1.416 9.141 -3.606 62 HB2 SER 9 2HB SER 9 -3.795 9.402 -1.730 63 HB3 SER 9 1HB SER 9 -3.731 9.987 -3.391 64 HG SER 9 HG SER 9 -2.988 7.452 -3.363 65 HN1 NH2 10 1H SER 9 0.254 10.575 -3.228 66 HN2 NH2 10 2H SER 9 0.085 11.984 -2.243 Start of MODEL 5 1 H1 CYS 1 1HT CYS 1 4.168 0.398 -0.140 2 H2 CYS 1 2HT CYS 1 2.981 1.502 0.334 3 H3 CYS 1 3HT CYS 1 2.625 0.277 -0.787 4 HA CYS 1 HA CYS 1 3.363 -0.172 2.013 5 HB2 CYS 1 2HB CYS 1 0.701 -0.472 0.584 6 HB3 CYS 1 1HB CYS 1 1.021 -0.926 2.242 7 H TYR 2 H TYR 2 3.198 -2.445 2.571 8 HA TYR 2 HA TYR 2 3.852 -4.182 0.333 9 HB2 TYR 2 2HB TYR 2 3.789 -4.800 3.298 10 HB3 TYR 2 1HB TYR 2 4.483 -5.808 2.032 11 HD1 TYR 2 1HD TYR 2 6.392 -4.683 0.619 12 HD2 TYR 2 2HD TYR 2 5.177 -3.381 4.486 13 HE1 TYR 2 1HE TYR 2 8.548 -3.565 0.918 14 HE2 TYR 2 2HE TYR 2 7.326 -2.260 4.793 15 HH TYR 2 HH TYR 2 9.441 -1.658 2.279 16 H ILE 3 H ILE 3 1.490 -3.667 2.828 17 HA ILE 3 HA ILE 3 -0.193 -5.856 2.040 18 HB ILE 3 HB ILE 3 -0.859 -3.406 3.714 19 HG12 ILE 3 2HG1 ILE 3 0.068 -6.132 4.658 20 HG13 ILE 3 1HG1 ILE 3 1.068 -4.690 4.635 21 HG21 ILE 3 1HG2 ILE 3 -2.851 -4.564 2.943 22 HG22 ILE 3 2HG2 ILE 3 -2.644 -4.827 4.675 23 HG23 ILE 3 3HG2 ILE 3 -2.216 -6.099 3.534 24 HD11 ILE 3 3HD1 ILE 3 -1.422 -5.100 6.281 25 HD12 ILE 3 1HD1 ILE 3 -0.429 -3.641 6.267 26 HD13 ILE 3 2HD1 ILE 3 0.240 -5.158 6.867 27 H GLN 4 H GLN 4 -1.872 -5.724 0.621 28 HA GLN 4 HA GLN 4 -1.745 -3.534 -1.242 29 HB2 GLN 4 2HB GLN 4 -3.263 -6.121 -1.316 30 HB3 GLN 4 1HB GLN 4 -3.383 -4.898 -2.573 31 HG2 GLN 4 2HG GLN 4 -1.047 -5.101 -3.074 32 HG3 GLN 4 1HG GLN 4 -0.821 -6.217 -1.728 33 HE21 GLN 4 1HE2 GLN 4 -0.042 -7.756 -3.107 34 HE22 GLN 4 2HE2 GLN 4 -1.051 -8.705 -4.131 35 H GLY 5 H GLY 5 -3.469 -4.118 1.385 36 HA2 GLY 5 2HA GLY 5 -5.863 -2.650 0.643 37 HA3 GLY 5 1HA GLY 5 -5.436 -3.178 2.277 38 H CYS 6 H CYS 6 -3.962 -1.190 -0.166 39 HA CYS 6 HA CYS 6 -3.693 1.017 1.700 40 HB2 CYS 6 2HB CYS 6 -1.588 -0.179 1.808 41 HB3 CYS 6 1HB CYS 6 -1.499 -0.260 0.056 42 H THR 7 H THR 7 -4.717 2.607 0.688 43 HA THR 7 HA THR 7 -4.410 2.803 -2.201 44 HB THR 7 HB THR 7 -6.718 2.192 -1.659 45 HG1 THR 7 1HG THR 7 -7.751 4.235 -2.436 46 HG21 THR 7 3HG2 THR 7 -6.870 3.035 0.626 47 HG22 THR 7 1HG2 THR 7 -8.181 3.700 -0.348 48 HG23 THR 7 2HG2 THR 7 -6.777 4.696 0.042 49 H LEU 8 H LEU 8 -4.624 4.998 -2.951 50 HA LEU 8 HA LEU 8 -3.316 6.841 -1.103 51 HB2 LEU 8 2HB LEU 8 -3.400 6.908 -4.134 52 HB3 LEU 8 1HB LEU 8 -2.570 8.067 -3.116 53 HG LEU 8 HG LEU 8 -1.886 5.139 -3.273 54 HD11 LEU 8 1HD1 LEU 8 -0.497 7.520 -4.496 55 HD12 LEU 8 2HD1 LEU 8 -1.364 6.256 -5.373 56 HD13 LEU 8 3HD1 LEU 8 0.114 5.867 -4.496 57 HD21 LEU 8 3HD2 LEU 8 -0.484 7.443 -1.920 58 HD22 LEU 8 1HD2 LEU 8 0.163 5.809 -2.079 59 HD23 LEU 8 2HD2 LEU 8 -1.295 6.086 -1.135 60 H SER 9 H SER 9 -4.925 7.683 -0.107 61 HA SER 9 HA SER 9 -6.776 9.370 -1.574 62 HB2 SER 9 2HB SER 9 -7.618 7.402 0.564 63 HB3 SER 9 1HB SER 9 -8.669 8.581 -0.213 64 HG SER 9 HG SER 9 -7.472 7.209 -2.120 65 HN1 NH2 10 1H SER 9 -5.898 11.224 -0.804 66 HN2 NH2 10 2H SER 9 -5.699 11.606 0.868 Start of MODEL 6 1 H1 CYS 1 1HT CYS 1 3.343 1.544 0.497 2 H2 CYS 1 2HT CYS 1 3.095 0.444 -0.778 3 H3 CYS 1 3HT CYS 1 4.504 0.369 0.146 4 HA CYS 1 HA CYS 1 3.328 -0.251 2.060 5 HB2 CYS 1 2HB CYS 1 0.911 -0.007 0.255 6 HB3 CYS 1 1HB CYS 1 0.884 -0.879 1.777 7 H TYR 2 H TYR 2 3.109 -2.405 2.550 8 HA TYR 2 HA TYR 2 3.873 -4.226 0.395 9 HB2 TYR 2 2HB TYR 2 3.626 -4.809 3.355 10 HB3 TYR 2 1HB TYR 2 4.466 -5.762 2.143 11 HD1 TYR 2 2HD TYR 2 6.559 -4.693 1.053 12 HD2 TYR 2 1HD TYR 2 4.746 -3.230 4.606 13 HE1 TYR 2 2HE TYR 2 8.638 -3.546 1.636 14 HE2 TYR 2 1HE TYR 2 6.810 -2.080 5.206 15 HH TYR 2 HH TYR 2 9.155 -2.236 4.754 16 H ILE 3 H ILE 3 1.388 -3.441 2.661 17 HA ILE 3 HA ILE 3 -0.232 -5.751 2.076 18 HB ILE 3 HB ILE 3 -0.943 -3.201 3.563 19 HG12 ILE 3 2HG1 ILE 3 0.086 -5.817 4.681 20 HG13 ILE 3 1HG1 ILE 3 1.021 -4.334 4.564 21 HG21 ILE 3 1HG2 ILE 3 -2.668 -4.599 4.650 22 HG22 ILE 3 2HG2 ILE 3 -2.217 -5.943 3.602 23 HG23 ILE 3 3HG2 ILE 3 -2.910 -4.475 2.910 24 HD11 ILE 3 3HD1 ILE 3 -1.451 -4.746 6.229 25 HD12 ILE 3 1HD1 ILE 3 -0.507 -3.261 6.132 26 HD13 ILE 3 2HD1 ILE 3 0.211 -4.719 6.821 27 H GLN 4 H GLN 4 -1.897 -5.756 0.629 28 HA GLN 4 HA GLN 4 -1.858 -3.750 -1.407 29 HB2 GLN 4 2HB GLN 4 -2.093 -6.181 -1.921 30 HB3 GLN 4 1HB GLN 4 -3.660 -6.172 -1.128 31 HG2 GLN 4 2HG GLN 4 -4.488 -4.600 -2.766 32 HG3 GLN 4 1HG GLN 4 -2.917 -4.598 -3.565 33 HE21 GLN 4 1HE2 GLN 4 -5.531 -5.329 -4.617 34 HE22 GLN 4 2HE2 GLN 4 -5.383 -6.952 -5.189 35 H GLY 5 H GLY 5 -3.450 -4.187 1.358 36 HA2 GLY 5 2HA GLY 5 -5.887 -2.698 0.747 37 HA3 GLY 5 1HA GLY 5 -5.399 -3.252 2.348 38 H CYS 6 H CYS 6 -3.684 -1.323 0.021 39 HA CYS 6 HA CYS 6 -3.868 1.073 1.593 40 HB2 CYS 6 2HB CYS 6 -1.934 0.084 2.637 41 HB3 CYS 6 1HB CYS 6 -1.261 -0.370 1.075 42 H THR 7 H THR 7 -4.485 2.406 0.064 43 HA THR 7 HA THR 7 -2.995 2.404 -2.436 44 HB THR 7 HB THR 7 -5.190 3.344 -3.406 45 HG1 THR 7 1HG THR 7 -6.603 1.881 -1.562 46 HG21 THR 7 3HG2 THR 7 -6.105 1.086 -3.818 47 HG22 THR 7 1HG2 THR 7 -5.126 0.452 -2.497 48 HG23 THR 7 2HG2 THR 7 -4.348 1.082 -3.946 49 H LEU 8 H LEU 8 -2.416 4.428 -3.147 50 HA LEU 8 HA LEU 8 -2.458 6.478 -1.125 51 HB2 LEU 8 2HB LEU 8 -1.121 6.316 -3.821 52 HB3 LEU 8 1HB LEU 8 -1.154 7.806 -2.912 53 HG LEU 8 HG LEU 8 0.086 6.651 -1.070 54 HD11 LEU 8 1HD1 LEU 8 -0.523 4.346 -1.547 55 HD12 LEU 8 2HD1 LEU 8 1.228 4.559 -1.508 56 HD13 LEU 8 3HD1 LEU 8 0.391 4.416 -3.054 57 HD21 LEU 8 3HD2 LEU 8 1.251 8.040 -2.673 58 HD22 LEU 8 1HD2 LEU 8 1.415 6.670 -3.771 59 HD23 LEU 8 2HD2 LEU 8 2.246 6.658 -2.216 60 H SER 9 H SER 9 -3.612 8.287 -1.122 61 HA SER 9 HA SER 9 -5.152 9.054 -3.452 62 HB2 SER 9 2HB SER 9 -6.482 8.362 -0.814 63 HB3 SER 9 1HB SER 9 -7.288 9.003 -2.248 64 HG SER 9 HG SER 9 -5.840 6.900 -2.937 65 HN1 NH2 10 1H SER 9 -3.783 10.860 -3.317 66 HN2 NH2 10 2H SER 9 -3.995 12.086 -2.119 Start of MODEL 7 1 H1 CYS 1 1HT CYS 1 4.514 0.328 0.533 2 H2 CYS 1 2HT CYS 1 3.407 1.587 0.716 3 H3 CYS 1 3HT CYS 1 3.299 0.521 -0.610 4 HA CYS 1 HA CYS 1 2.936 -0.219 2.206 5 HB2 CYS 1 2HB CYS 1 0.935 -0.042 -0.063 6 HB3 CYS 1 1HB CYS 1 0.601 -0.574 1.575 7 H TYR 2 H TYR 2 3.179 -2.330 2.544 8 HA TYR 2 HA TYR 2 3.881 -4.050 0.305 9 HB2 TYR 2 2HB TYR 2 5.306 -4.063 2.291 10 HB3 TYR 2 1HB TYR 2 3.922 -4.421 3.309 11 HD1 TYR 2 1HD TYR 2 6.055 -5.839 0.605 12 HD2 TYR 2 2HD TYR 2 3.349 -6.625 3.792 13 HE1 TYR 2 1HE TYR 2 6.549 -8.237 0.432 14 HE2 TYR 2 2HE TYR 2 3.829 -9.008 3.628 15 HH TYR 2 HH TYR 2 4.633 -10.581 2.040 16 H ILE 3 H ILE 3 1.377 -3.534 2.628 17 HA ILE 3 HA ILE 3 -0.078 -5.938 1.997 18 HB ILE 3 HB ILE 3 -0.994 -3.479 3.546 19 HG12 ILE 3 2HG1 ILE 3 0.236 -6.023 4.637 20 HG13 ILE 3 1HG1 ILE 3 1.093 -4.496 4.483 21 HG21 ILE 3 1HG2 ILE 3 -2.830 -4.954 2.850 22 HG22 ILE 3 2HG2 ILE 3 -2.586 -5.043 4.595 23 HG23 ILE 3 3HG2 ILE 3 -1.993 -6.335 3.558 24 HD11 ILE 3 3HD1 ILE 3 0.348 -4.870 6.761 25 HD12 ILE 3 1HD1 ILE 3 -1.321 -5.017 6.207 26 HD13 ILE 3 2HD1 ILE 3 -0.474 -3.474 6.061 27 H GLN 4 H GLN 4 -1.990 -5.954 0.722 28 HA GLN 4 HA GLN 4 -1.999 -4.016 -1.390 29 HB2 GLN 4 2HB GLN 4 -3.811 -6.374 -0.910 30 HB3 GLN 4 1HB GLN 4 -3.821 -5.390 -2.360 31 HG2 GLN 4 2HG GLN 4 -1.589 -6.075 -2.911 32 HG3 GLN 4 1HG GLN 4 -1.437 -6.953 -1.392 33 HE21 GLN 4 1HE2 GLN 4 -1.195 -7.915 -4.120 34 HE22 GLN 4 2HE2 GLN 4 -2.351 -9.182 -4.285 35 H GLY 5 H GLY 5 -3.267 -3.878 1.522 36 HA2 GLY 5 2HA GLY 5 -5.787 -2.568 0.855 37 HA3 GLY 5 1HA GLY 5 -5.145 -2.801 2.485 38 H CYS 6 H CYS 6 -3.937 -1.355 -0.440 39 HA CYS 6 HA CYS 6 -3.945 1.336 0.249 40 HB2 CYS 6 2HB CYS 6 -2.259 0.734 1.936 41 HB3 CYS 6 1HB CYS 6 -1.358 -0.184 0.739 42 H THR 7 H THR 7 -3.609 2.337 -1.766 43 HA THR 7 HA THR 7 -2.659 0.540 -3.855 44 HB THR 7 HB THR 7 -4.018 3.191 -4.226 45 HG1 THR 7 1HG THR 7 -4.959 0.790 -3.355 46 HG21 THR 7 3HG2 THR 7 -2.864 2.276 -6.197 47 HG22 THR 7 1HG2 THR 7 -4.614 2.261 -6.426 48 HG23 THR 7 2HG2 THR 7 -3.771 0.771 -6.024 49 H LEU 8 H LEU 8 -1.032 1.102 -5.153 50 HA LEU 8 HA LEU 8 0.916 2.995 -4.129 51 HB2 LEU 8 2HB LEU 8 1.618 0.741 -4.806 52 HB3 LEU 8 1HB LEU 8 1.016 1.027 -6.418 53 HG LEU 8 HG LEU 8 2.766 2.732 -6.771 54 HD11 LEU 8 1HD1 LEU 8 3.056 3.452 -4.461 55 HD12 LEU 8 2HD1 LEU 8 4.588 2.959 -5.178 56 HD13 LEU 8 3HD1 LEU 8 3.756 1.886 -4.054 57 HD21 LEU 8 3HD2 LEU 8 4.657 1.182 -6.869 58 HD22 LEU 8 1HD2 LEU 8 3.164 0.426 -7.431 59 HD23 LEU 8 2HD2 LEU 8 3.788 0.060 -5.823 60 H SER 9 H SER 9 1.253 4.993 -4.984 61 HA SER 9 HA SER 9 -0.310 5.787 -7.261 62 HB2 SER 9 2HB SER 9 1.685 7.373 -5.617 63 HB3 SER 9 1HB SER 9 0.530 8.034 -6.772 64 HG SER 9 HG SER 9 -0.931 6.641 -5.165 65 HN1 NH2 10 1H SER 9 3.010 6.881 -6.779 66 HN2 NH2 10 2H SER 9 3.616 6.231 -8.254 Start of MODEL 8 1 H1 CYS 1 1HT CYS 1 4.477 0.238 0.148 2 H2 CYS 1 2HT CYS 1 3.212 1.372 0.056 3 H3 CYS 1 3HT CYS 1 3.293 0.061 -1.027 4 HA CYS 1 HA CYS 1 2.913 -0.200 1.864 5 HB2 CYS 1 2HB CYS 1 0.960 -0.569 -0.425 6 HB3 CYS 1 1HB CYS 1 0.638 -0.898 1.268 7 H TYR 2 H TYR 2 3.071 -2.268 2.574 8 HA TYR 2 HA TYR 2 3.993 -4.285 0.690 9 HB2 TYR 2 2HB TYR 2 3.558 -4.421 3.697 10 HB3 TYR 2 1HB TYR 2 4.284 -5.685 2.718 11 HD1 TYR 2 1HD TYR 2 6.544 -5.399 1.807 12 HD2 TYR 2 2HD TYR 2 4.805 -2.473 4.356 13 HE1 TYR 2 1HE TYR 2 8.752 -4.426 2.189 14 HE2 TYR 2 2HE TYR 2 7.009 -1.484 4.735 15 HH TYR 2 HH TYR 2 9.705 -2.235 2.854 16 H ILE 3 H ILE 3 1.352 -3.470 2.772 17 HA ILE 3 HA ILE 3 -0.237 -5.756 1.943 18 HB ILE 3 HB ILE 3 -0.965 -3.366 3.674 19 HG12 ILE 3 2HG1 ILE 3 -0.116 -6.148 4.522 20 HG13 ILE 3 1HG1 ILE 3 0.884 -4.707 4.633 21 HG21 ILE 3 1HG2 ILE 3 -2.936 -4.447 2.744 22 HG22 ILE 3 2HG2 ILE 3 -2.830 -4.778 4.473 23 HG23 ILE 3 3HG2 ILE 3 -2.363 -6.017 3.308 24 HD11 ILE 3 3HD1 ILE 3 -1.695 -5.188 6.112 25 HD12 ILE 3 1HD1 ILE 3 -0.681 -3.752 6.243 26 HD13 ILE 3 2HD1 ILE 3 -0.069 -5.315 6.787 27 H GLN 4 H GLN 4 -1.878 -5.583 0.480 28 HA GLN 4 HA GLN 4 -1.701 -3.332 -1.302 29 HB2 GLN 4 2HB GLN 4 -3.440 -5.798 -1.493 30 HB3 GLN 4 1HB GLN 4 -3.319 -4.558 -2.728 31 HG2 GLN 4 2HG GLN 4 -1.040 -6.257 -1.755 32 HG3 GLN 4 1HG GLN 4 -1.939 -6.508 -3.250 33 HE21 GLN 4 1HE2 GLN 4 0.876 -5.960 -2.825 34 HE22 GLN 4 2HE2 GLN 4 1.239 -4.543 -3.717 35 H GLY 5 H GLY 5 -3.674 -4.410 1.063 36 HA2 GLY 5 2HA GLY 5 -5.850 -2.521 0.615 37 HA3 GLY 5 1HA GLY 5 -5.667 -3.551 2.038 38 H CYS 6 H CYS 6 -4.005 -0.948 0.437 39 HA CYS 6 HA CYS 6 -3.652 0.523 2.933 40 HB2 CYS 6 2HB CYS 6 -1.634 -0.801 2.714 41 HB3 CYS 6 1HB CYS 6 -1.510 -0.402 1.011 42 H THR 7 H THR 7 -3.531 2.794 2.480 43 HA THR 7 HA THR 7 -4.574 3.493 -0.078 44 HB THR 7 HB THR 7 -3.661 5.304 2.107 45 HG1 THR 7 1HG THR 7 -6.043 3.809 1.689 46 HG21 THR 7 3HG2 THR 7 -5.806 5.637 -0.006 47 HG22 THR 7 1HG2 THR 7 -4.207 6.380 -0.035 48 HG23 THR 7 2HG2 THR 7 -5.369 6.834 1.209 49 H LEU 8 H LEU 8 -3.553 4.417 -1.596 50 HA LEU 8 HA LEU 8 -0.630 4.302 -1.538 51 HB2 LEU 8 2HB LEU 8 -2.477 4.553 -3.901 52 HB3 LEU 8 1HB LEU 8 -0.746 4.291 -3.959 53 HG LEU 8 HG LEU 8 -2.790 2.376 -2.885 54 HD11 LEU 8 1HD1 LEU 8 -2.867 2.559 -5.312 55 HD12 LEU 8 2HD1 LEU 8 -2.184 1.003 -4.837 56 HD13 LEU 8 3HD1 LEU 8 -1.127 2.296 -5.403 57 HD21 LEU 8 3HD2 LEU 8 -0.920 0.770 -2.766 58 HD22 LEU 8 1HD2 LEU 8 -0.702 2.143 -1.679 59 HD23 LEU 8 2HD2 LEU 8 0.192 2.072 -3.194 60 H SER 9 H SER 9 0.532 6.027 -1.663 61 HA SER 9 HA SER 9 -0.802 8.557 -2.282 62 HB2 SER 9 2HB SER 9 0.144 8.348 0.037 63 HB3 SER 9 1HB SER 9 1.745 8.163 -0.683 64 HG SER 9 HG SER 9 1.817 10.241 -0.755 65 HN1 NH2 10 1H SER 9 -0.486 8.768 -4.393 66 HN2 NH2 10 2H SER 9 1.022 8.641 -5.216 Start of MODEL 9 1 H1 CYS 1 1HT CYS 1 4.206 0.524 -0.387 2 H2 CYS 1 2HT CYS 1 4.595 0.271 1.221 3 H3 CYS 1 3HT CYS 1 3.616 1.591 0.804 4 HA CYS 1 HA CYS 1 2.386 -0.152 1.792 5 HB2 CYS 1 2HB CYS 1 1.921 0.202 -1.158 6 HB3 CYS 1 1HB CYS 1 0.775 -0.590 -0.086 7 H TYR 2 H TYR 2 2.937 -2.057 2.492 8 HA TYR 2 HA TYR 2 4.003 -4.069 0.689 9 HB2 TYR 2 2HB TYR 2 3.577 -4.117 3.687 10 HB3 TYR 2 1HB TYR 2 4.220 -5.463 2.764 11 HD1 TYR 2 2HD TYR 2 6.476 -5.286 1.741 12 HD2 TYR 2 1HD TYR 2 4.943 -2.235 4.266 13 HE1 TYR 2 2HE TYR 2 8.742 -4.400 2.031 14 HE2 TYR 2 1HE TYR 2 7.197 -1.337 4.567 15 HH TYR 2 HH TYR 2 9.484 -2.102 4.428 16 H ILE 3 H ILE 3 1.050 -3.421 2.612 17 HA ILE 3 HA ILE 3 -0.051 -5.963 1.818 18 HB ILE 3 HB ILE 3 -0.305 -4.987 4.129 19 HG12 ILE 3 2HG1 ILE 3 -2.738 -5.411 4.322 20 HG13 ILE 3 1HG1 ILE 3 -2.765 -5.613 2.564 21 HG21 ILE 3 1HG2 ILE 3 -2.169 -3.048 2.782 22 HG22 ILE 3 2HG2 ILE 3 -0.665 -2.653 3.606 23 HG23 ILE 3 3HG2 ILE 3 -2.033 -3.279 4.522 24 HD11 ILE 3 3HD1 ILE 3 -1.177 -7.272 4.523 25 HD12 ILE 3 1HD1 ILE 3 -1.167 -7.479 2.775 26 HD13 ILE 3 2HD1 ILE 3 -2.640 -7.785 3.690 27 H GLN 4 H GLN 4 -2.076 -5.992 0.663 28 HA GLN 4 HA GLN 4 -2.076 -4.099 -1.475 29 HB2 GLN 4 2HB GLN 4 -4.020 -5.298 -2.401 30 HB3 GLN 4 1HB GLN 4 -2.703 -6.387 -1.995 31 HG2 GLN 4 2HG GLN 4 -3.850 -7.112 -0.017 32 HG3 GLN 4 1HG GLN 4 -5.108 -5.901 -0.260 33 HE21 GLN 4 1HE2 GLN 4 -3.810 -8.922 -1.371 34 HE22 GLN 4 2HE2 GLN 4 -5.174 -9.369 -2.321 35 H GLY 5 H GLY 5 -3.560 -4.199 1.419 36 HA2 GLY 5 2HA GLY 5 -5.727 -2.348 0.766 37 HA3 GLY 5 1HA GLY 5 -5.370 -2.983 2.371 38 H CYS 6 H CYS 6 -3.478 -1.274 0.005 39 HA CYS 6 HA CYS 6 -3.221 1.107 1.596 40 HB2 CYS 6 2HB CYS 6 -1.541 -0.430 2.636 41 HB3 CYS 6 1HB CYS 6 -0.810 -0.682 1.069 42 H THR 7 H THR 7 -3.893 2.253 -0.200 43 HA THR 7 HA THR 7 -2.321 1.774 -2.600 44 HB THR 7 HB THR 7 -4.110 3.076 -3.791 45 HG1 THR 7 1HG THR 7 -4.941 3.821 -1.613 46 HG21 THR 7 3HG2 THR 7 -3.999 0.656 -3.947 47 HG22 THR 7 1HG2 THR 7 -5.682 1.176 -3.861 48 HG23 THR 7 2HG2 THR 7 -4.895 0.496 -2.435 49 H LEU 8 H LEU 8 -0.634 2.968 -2.495 50 HA LEU 8 HA LEU 8 -0.760 5.639 -1.406 51 HB2 LEU 8 2HB LEU 8 1.147 3.911 -1.071 52 HB3 LEU 8 1HB LEU 8 1.602 4.282 -2.713 53 HG LEU 8 HG LEU 8 1.578 6.289 -0.448 54 HD11 LEU 8 1HD1 LEU 8 3.219 4.560 -0.052 55 HD12 LEU 8 2HD1 LEU 8 4.009 6.073 -0.494 56 HD13 LEU 8 3HD1 LEU 8 3.866 4.775 -1.677 57 HD21 LEU 8 3HD2 LEU 8 2.796 6.462 -3.211 58 HD22 LEU 8 1HD2 LEU 8 2.901 7.686 -1.945 59 HD23 LEU 8 2HD2 LEU 8 1.342 7.309 -2.682 60 H SER 9 H SER 9 -1.979 6.745 -2.819 61 HA SER 9 HA SER 9 -1.483 6.651 -5.646 62 HB2 SER 9 2HB SER 9 -3.266 8.506 -4.051 63 HB3 SER 9 1HB SER 9 -3.333 8.222 -5.793 64 HG SER 9 HG SER 9 -4.432 6.830 -3.782 65 HN1 NH2 10 1H SER 9 0.711 7.283 -5.535 66 HN2 NH2 10 2H SER 9 1.171 8.941 -5.347 Start of MODEL 10 1 H1 CYS 1 1HT CYS 1 3.907 0.785 -0.207 2 H2 CYS 1 2HT CYS 1 4.773 0.273 1.121 3 H3 CYS 1 3HT CYS 1 3.692 1.567 1.283 4 HA CYS 1 HA CYS 1 2.807 -0.398 2.260 5 HB2 CYS 1 2HB CYS 1 1.453 0.401 -0.320 6 HB3 CYS 1 1HB CYS 1 0.710 -0.586 0.930 7 H TYR 2 H TYR 2 3.416 -2.439 2.398 8 HA TYR 2 HA TYR 2 3.729 -4.096 0.026 9 HB2 TYR 2 2HB TYR 2 3.949 -4.758 2.976 10 HB3 TYR 2 1HB TYR 2 4.183 -5.917 1.681 11 HD1 TYR 2 1HD TYR 2 6.081 -5.436 0.015 12 HD2 TYR 2 2HD TYR 2 5.738 -3.527 3.798 13 HE1 TYR 2 1HE TYR 2 8.468 -4.918 -0.038 14 HE2 TYR 2 2HE TYR 2 8.128 -2.992 3.747 15 HH TYR 2 HH TYR 2 10.019 -3.290 0.972 16 H ILE 3 H ILE 3 1.557 -3.475 2.643 17 HA ILE 3 HA ILE 3 -0.207 -5.623 2.307 18 HB ILE 3 HB ILE 3 -1.906 -4.194 3.393 19 HG12 ILE 3 2HG1 ILE 3 0.294 -2.102 3.370 20 HG13 ILE 3 1HG1 ILE 3 -1.221 -2.029 2.481 21 HG21 ILE 3 1HG2 ILE 3 -0.732 -4.034 5.555 22 HG22 ILE 3 2HG2 ILE 3 0.794 -4.335 4.723 23 HG23 ILE 3 3HG2 ILE 3 -0.463 -5.569 4.732 24 HD11 ILE 3 3HD1 ILE 3 -2.444 -1.986 4.530 25 HD12 ILE 3 1HD1 ILE 3 -1.274 -0.653 4.480 26 HD13 ILE 3 2HD1 ILE 3 -0.938 -2.112 5.441 27 H GLN 4 H GLN 4 -2.129 -5.804 1.171 28 HA GLN 4 HA GLN 4 -2.063 -4.323 -1.293 29 HB2 GLN 4 2HB GLN 4 -3.860 -6.591 -0.453 30 HB3 GLN 4 1HB GLN 4 -3.822 -5.883 -2.061 31 HG2 GLN 4 2HG GLN 4 -1.537 -7.308 -0.706 32 HG3 GLN 4 1HG GLN 4 -2.559 -7.971 -1.979 33 HE21 GLN 4 1HE2 GLN 4 0.066 -5.807 -1.231 34 HE22 GLN 4 2HE2 GLN 4 0.504 -5.491 -2.866 35 H GLY 5 H GLY 5 -3.510 -4.068 1.577 36 HA2 GLY 5 2HA GLY 5 -5.900 -2.627 0.744 37 HA3 GLY 5 1HA GLY 5 -5.327 -2.790 2.401 38 H CYS 6 H CYS 6 -3.653 -1.643 -0.380 39 HA CYS 6 HA CYS 6 -3.781 1.110 0.003 40 HB2 CYS 6 2HB CYS 6 -2.389 0.679 2.005 41 HB3 CYS 6 1HB CYS 6 -1.262 -0.249 1.027 42 H THR 7 H THR 7 -4.205 0.744 -2.182 43 HA THR 7 HA THR 7 -2.244 -0.599 -3.758 44 HB THR 7 HB THR 7 -3.865 0.000 -5.637 45 HG1 THR 7 1HG THR 7 -5.372 1.369 -5.096 46 HG21 THR 7 3HG2 THR 7 -3.839 -2.200 -4.557 47 HG22 THR 7 1HG2 THR 7 -5.495 -1.708 -4.915 48 HG23 THR 7 2HG2 THR 7 -4.874 -1.588 -3.269 49 H LEU 8 H LEU 8 -0.604 0.287 -4.640 50 HA LEU 8 HA LEU 8 0.049 3.007 -4.449 51 HB2 LEU 8 2HB LEU 8 1.239 0.739 -6.035 52 HB3 LEU 8 1HB LEU 8 1.890 2.353 -6.103 53 HG LEU 8 HG LEU 8 2.436 2.221 -3.685 54 HD11 LEU 8 1HD1 LEU 8 1.520 -0.645 -3.892 55 HD12 LEU 8 2HD1 LEU 8 0.749 0.626 -2.943 56 HD13 LEU 8 3HD1 LEU 8 2.373 0.076 -2.527 57 HD21 LEU 8 3HD2 LEU 8 4.105 1.668 -5.323 58 HD22 LEU 8 1HD2 LEU 8 3.519 0.005 -5.401 59 HD23 LEU 8 2HD2 LEU 8 4.264 0.605 -3.923 60 H SER 9 H SER 9 -0.888 4.529 -5.526 61 HA SER 9 HA SER 9 -1.929 4.003 -8.189 62 HB2 SER 9 2HB SER 9 -2.410 6.383 -6.378 63 HB3 SER 9 1HB SER 9 -3.292 5.967 -7.850 64 HG SER 9 HG SER 9 -3.108 4.193 -5.675 65 HN1 NH2 10 1H SER 9 -0.655 6.997 -6.748 66 HN2 NH2 10 2H SER 9 0.480 7.306 -8.005 Start of MODEL 11 1 H1 CYS 1 1HT CYS 1 2.814 0.082 -1.030 2 H2 CYS 1 2HT CYS 1 4.301 0.242 -0.263 3 H3 CYS 1 3HT CYS 1 3.076 1.404 -0.020 4 HA CYS 1 HA CYS 1 3.249 -0.110 1.858 5 HB2 CYS 1 2HB CYS 1 0.764 -0.462 0.167 6 HB3 CYS 1 1HB CYS 1 0.866 -0.743 1.894 7 H TYR 2 H TYR 2 3.099 -2.302 2.622 8 HA TYR 2 HA TYR 2 3.874 -4.272 0.632 9 HB2 TYR 2 2HB TYR 2 5.176 -4.237 2.678 10 HB3 TYR 2 1HB TYR 2 3.721 -4.348 3.658 11 HD1 TYR 2 1HD TYR 2 5.707 -6.252 1.140 12 HD2 TYR 2 2HD TYR 2 2.968 -6.425 4.384 13 HE1 TYR 2 1HE TYR 2 5.917 -8.691 1.182 14 HE2 TYR 2 2HE TYR 2 3.164 -8.857 4.433 15 HH TYR 2 HH TYR 2 5.599 -10.520 2.761 16 H ILE 3 H ILE 3 1.241 -3.455 2.717 17 HA ILE 3 HA ILE 3 -0.252 -5.797 1.890 18 HB ILE 3 HB ILE 3 -1.132 -3.494 3.655 19 HG12 ILE 3 2HG1 ILE 3 0.010 -6.169 4.504 20 HG13 ILE 3 1HG1 ILE 3 0.855 -4.633 4.609 21 HG21 ILE 3 1HG2 ILE 3 -2.228 -6.290 3.295 22 HG22 ILE 3 2HG2 ILE 3 -2.985 -4.788 2.751 23 HG23 ILE 3 3HG2 ILE 3 -2.814 -5.120 4.473 24 HD11 ILE 3 3HD1 ILE 3 -0.015 -5.323 6.763 25 HD12 ILE 3 1HD1 ILE 3 -1.648 -5.385 6.098 26 HD13 ILE 3 2HD1 ILE 3 -0.803 -3.840 6.217 27 H GLN 4 H GLN 4 -1.719 -5.646 0.328 28 HA GLN 4 HA GLN 4 -1.674 -3.301 -1.294 29 HB2 GLN 4 2HB GLN 4 -3.291 -5.835 -1.629 30 HB3 GLN 4 1HB GLN 4 -3.172 -4.555 -2.832 31 HG2 GLN 4 2HG GLN 4 -0.783 -4.911 -3.033 32 HG3 GLN 4 1HG GLN 4 -0.838 -6.137 -1.771 33 HE21 GLN 4 1HE2 GLN 4 0.058 -6.304 -4.498 34 HE22 GLN 4 2HE2 GLN 4 -0.830 -7.567 -5.256 35 H GLY 5 H GLY 5 -3.522 -4.358 1.131 36 HA2 GLY 5 2HA GLY 5 -5.761 -2.537 0.704 37 HA3 GLY 5 1HA GLY 5 -5.475 -3.482 2.169 38 H CYS 6 H CYS 6 -3.816 -1.031 0.329 39 HA CYS 6 HA CYS 6 -3.702 0.824 2.526 40 HB2 CYS 6 2HB CYS 6 -1.777 -0.645 3.031 41 HB3 CYS 6 1HB CYS 6 -1.185 -0.433 1.395 42 H THR 7 H THR 7 -4.702 2.261 1.231 43 HA THR 7 HA THR 7 -3.742 2.650 -1.471 44 HB THR 7 HB THR 7 -6.193 2.448 -1.036 45 HG1 THR 7 1HG THR 7 -6.651 3.787 -2.563 46 HG21 THR 7 3HG2 THR 7 -7.409 4.351 -0.039 47 HG22 THR 7 1HG2 THR 7 -5.870 5.119 0.348 48 HG23 THR 7 2HG2 THR 7 -6.317 3.598 1.119 49 H LEU 8 H LEU 8 -3.775 4.999 -2.163 50 HA LEU 8 HA LEU 8 -2.784 6.902 -0.255 51 HB2 LEU 8 2HB LEU 8 -0.770 5.584 -0.935 52 HB3 LEU 8 1HB LEU 8 -1.113 5.960 -2.607 53 HG LEU 8 HG LEU 8 -0.674 8.352 -2.138 54 HD11 LEU 8 1HD1 LEU 8 -1.264 8.405 0.226 55 HD12 LEU 8 2HD1 LEU 8 0.378 8.993 -0.026 56 HD13 LEU 8 3HD1 LEU 8 0.112 7.369 0.603 57 HD21 LEU 8 3HD2 LEU 8 1.750 8.138 -1.878 58 HD22 LEU 8 1HD2 LEU 8 1.114 6.912 -2.971 59 HD23 LEU 8 2HD2 LEU 8 1.547 6.479 -1.319 60 H SER 9 H SER 9 -2.979 9.019 -1.184 61 HA SER 9 HA SER 9 -4.975 9.243 -3.170 62 HB2 SER 9 2HB SER 9 -3.171 11.371 -2.018 63 HB3 SER 9 1HB SER 9 -4.725 11.632 -2.817 64 HG SER 9 HG SER 9 -5.736 10.523 -1.175 65 HN1 NH2 10 1H SER 9 -4.417 8.587 -5.160 66 HN2 NH2 10 2H SER 9 -3.046 9.118 -6.065 Start of MODEL 12 1 H1 CYS 1 1HT CYS 1 4.516 0.138 0.410 2 H2 CYS 1 2HT CYS 1 3.414 1.416 0.515 3 H3 CYS 1 3HT CYS 1 3.339 0.296 -0.769 4 HA CYS 1 HA CYS 1 2.905 -0.352 2.056 5 HB2 CYS 1 2HB CYS 1 0.943 -0.306 -0.247 6 HB3 CYS 1 1HB CYS 1 0.593 -0.697 1.425 7 H TYR 2 H TYR 2 3.334 -2.450 2.414 8 HA TYR 2 HA TYR 2 3.604 -4.227 0.134 9 HB2 TYR 2 2HB TYR 2 4.060 -4.733 3.091 10 HB3 TYR 2 1HB TYR 2 4.335 -5.905 1.804 11 HD1 TYR 2 1HD TYR 2 5.793 -4.736 -0.215 12 HD2 TYR 2 2HD TYR 2 6.021 -3.840 3.932 13 HE1 TYR 2 1HE TYR 2 8.079 -3.942 -0.524 14 HE2 TYR 2 2HE TYR 2 8.315 -3.034 3.635 15 HH TYR 2 HH TYR 2 10.157 -3.444 2.027 16 H ILE 3 H ILE 3 1.541 -3.491 2.771 17 HA ILE 3 HA ILE 3 -0.322 -5.622 2.332 18 HB ILE 3 HB ILE 3 -0.746 -2.887 3.569 19 HG12 ILE 3 2HG1 ILE 3 -0.126 -5.493 4.975 20 HG13 ILE 3 1HG1 ILE 3 1.035 -4.199 4.728 21 HG21 ILE 3 1HG2 ILE 3 -2.839 -3.938 2.954 22 HG22 ILE 3 2HG2 ILE 3 -2.676 -3.929 4.711 23 HG23 ILE 3 3HG2 ILE 3 -2.378 -5.412 3.804 24 HD11 ILE 3 3HD1 ILE 3 0.155 -4.176 6.990 25 HD12 ILE 3 1HD1 ILE 3 -1.490 -4.032 6.363 26 HD13 ILE 3 2HD1 ILE 3 -0.335 -2.722 6.116 27 H GLN 4 H GLN 4 -1.894 -5.572 0.811 28 HA GLN 4 HA GLN 4 -1.563 -3.543 -1.203 29 HB2 GLN 4 2HB GLN 4 -3.477 -5.857 -1.293 30 HB3 GLN 4 1HB GLN 4 -2.862 -4.928 -2.649 31 HG2 GLN 4 2HG GLN 4 -1.238 -6.767 -0.897 32 HG3 GLN 4 1HG GLN 4 -1.841 -7.153 -2.496 33 HE21 GLN 4 1HE2 GLN 4 0.147 -7.541 -3.297 34 HE22 GLN 4 2HE2 GLN 4 1.332 -6.323 -3.608 35 H GLY 5 H GLY 5 -3.608 -4.342 1.199 36 HA2 GLY 5 2HA GLY 5 -5.788 -2.582 0.420 37 HA3 GLY 5 1HA GLY 5 -5.686 -3.450 1.957 38 H CYS 6 H CYS 6 -3.956 -1.016 0.182 39 HA CYS 6 HA CYS 6 -3.741 0.672 2.572 40 HB2 CYS 6 2HB CYS 6 -1.655 -0.674 2.217 41 HB3 CYS 6 1HB CYS 6 -1.523 0.015 0.610 42 H THR 7 H THR 7 -3.314 2.974 1.863 43 HA THR 7 HA THR 7 -4.097 3.431 -0.909 44 HB THR 7 HB THR 7 -5.327 5.493 -0.067 45 HG1 THR 7 1HG THR 7 -4.306 4.785 2.224 46 HG21 THR 7 3HG2 THR 7 -7.377 4.263 0.513 47 HG22 THR 7 1HG2 THR 7 -6.421 2.808 0.796 48 HG23 THR 7 2HG2 THR 7 -6.526 3.489 -0.824 49 H LEU 8 H LEU 8 -3.304 5.375 -1.793 50 HA LEU 8 HA LEU 8 -0.698 6.060 -0.837 51 HB2 LEU 8 2HB LEU 8 -1.118 5.863 -3.220 52 HB3 LEU 8 1HB LEU 8 -2.353 7.097 -3.138 53 HG LEU 8 HG LEU 8 -0.629 8.772 -2.576 54 HD11 LEU 8 1HD1 LEU 8 1.737 8.216 -2.871 55 HD12 LEU 8 2HD1 LEU 8 1.305 6.511 -3.027 56 HD13 LEU 8 3HD1 LEU 8 1.011 7.363 -1.512 57 HD21 LEU 8 3HD2 LEU 8 0.399 8.868 -4.800 58 HD22 LEU 8 1HD2 LEU 8 -1.316 8.468 -4.887 59 HD23 LEU 8 2HD2 LEU 8 -0.104 7.205 -5.097 60 H SER 9 H SER 9 -0.644 7.258 0.910 61 HA SER 9 HA SER 9 -0.771 8.996 2.308 62 HB2 SER 9 2HB SER 9 -1.588 10.524 -0.172 63 HB3 SER 9 1HB SER 9 -0.949 11.241 1.306 64 HG SER 9 HG SER 9 0.388 10.323 -0.757 65 HN1 NH2 10 1H SER 9 -2.505 7.995 3.393 66 HN2 NH2 10 2H SER 9 -4.104 8.655 3.358 Start of MODEL 13 1 H1 CYS 1 1HT CYS 1 3.527 1.719 0.843 2 H2 CYS 1 2HT CYS 1 3.895 0.695 -0.449 3 H3 CYS 1 3HT CYS 1 4.762 0.580 0.992 4 HA CYS 1 HA CYS 1 2.830 -0.138 2.154 5 HB2 CYS 1 2HB CYS 1 1.530 0.059 -0.571 6 HB3 CYS 1 1HB CYS 1 0.773 -0.640 0.855 7 H TYR 2 H TYR 2 2.707 -2.345 2.455 8 HA TYR 2 HA TYR 2 3.701 -4.014 0.262 9 HB2 TYR 2 2HB TYR 2 4.305 -4.361 3.219 10 HB3 TYR 2 1HB TYR 2 4.802 -5.460 1.943 11 HD1 TYR 2 1HD TYR 2 6.619 -4.849 0.407 12 HD2 TYR 2 2HD TYR 2 5.403 -2.229 3.521 13 HE1 TYR 2 1HE TYR 2 8.666 -3.551 0.102 14 HE2 TYR 2 2HE TYR 2 7.435 -0.920 3.227 15 HH TYR 2 HH TYR 2 9.432 -1.161 0.576 16 H ILE 3 H ILE 3 1.088 -3.197 1.878 17 HA ILE 3 HA ILE 3 -0.039 -5.902 1.839 18 HB ILE 3 HB ILE 3 -1.005 -3.483 3.445 19 HG12 ILE 3 2HG1 ILE 3 0.368 -5.985 4.445 20 HG13 ILE 3 1HG1 ILE 3 1.149 -4.422 4.269 21 HG21 ILE 3 1HG2 ILE 3 -2.806 -5.041 2.819 22 HG22 ILE 3 2HG2 ILE 3 -2.500 -5.080 4.555 23 HG23 ILE 3 3HG2 ILE 3 -1.892 -6.374 3.526 24 HD11 ILE 3 3HD1 ILE 3 -0.377 -3.485 5.936 25 HD12 ILE 3 1HD1 ILE 3 0.531 -4.855 6.577 26 HD13 ILE 3 2HD1 ILE 3 -1.154 -5.059 6.099 27 H GLN 4 H GLN 4 -2.158 -6.020 0.794 28 HA GLN 4 HA GLN 4 -2.263 -4.290 -1.466 29 HB2 GLN 4 2HB GLN 4 -2.732 -6.783 -1.404 30 HB3 GLN 4 1HB GLN 4 -4.266 -6.380 -0.657 31 HG2 GLN 4 2HG GLN 4 -4.954 -5.177 -2.608 32 HG3 GLN 4 1HG GLN 4 -3.371 -5.433 -3.352 33 HE21 GLN 4 1HE2 GLN 4 -2.810 -7.507 -4.013 34 HE22 GLN 4 2HE2 GLN 4 -3.981 -8.740 -4.292 35 H GLY 5 H GLY 5 -3.358 -3.974 1.526 36 HA2 GLY 5 2HA GLY 5 -5.863 -2.578 1.007 37 HA3 GLY 5 1HA GLY 5 -5.089 -2.766 2.580 38 H CYS 6 H CYS 6 -3.928 -1.482 -0.435 39 HA CYS 6 HA CYS 6 -3.749 1.210 0.579 40 HB2 CYS 6 2HB CYS 6 -1.636 0.173 1.321 41 HB3 CYS 6 1HB CYS 6 -1.341 -0.404 -0.311 42 H THR 7 H THR 7 -4.828 2.145 -1.064 43 HA THR 7 HA THR 7 -4.841 1.002 -3.671 44 HB THR 7 HB THR 7 -5.752 3.743 -2.866 45 HG1 THR 7 1HG THR 7 -6.656 1.260 -2.116 46 HG21 THR 7 3HG2 THR 7 -5.786 3.264 -5.276 47 HG22 THR 7 1HG2 THR 7 -7.430 3.418 -4.652 48 HG23 THR 7 2HG2 THR 7 -6.760 1.822 -4.981 49 H LEU 8 H LEU 8 -3.816 1.798 -5.435 50 HA LEU 8 HA LEU 8 -1.372 3.230 -5.081 51 HB2 LEU 8 2HB LEU 8 -2.837 2.433 -7.601 52 HB3 LEU 8 1HB LEU 8 -1.215 3.090 -7.565 53 HG LEU 8 HG LEU 8 -2.061 0.485 -6.326 54 HD11 LEU 8 1HD1 LEU 8 -0.770 -0.550 -8.146 55 HD12 LEU 8 2HD1 LEU 8 -0.486 1.046 -8.843 56 HD13 LEU 8 3HD1 LEU 8 -2.123 0.394 -8.766 57 HD21 LEU 8 3HD2 LEU 8 0.362 0.088 -6.077 58 HD22 LEU 8 1HD2 LEU 8 -0.188 1.471 -5.134 59 HD23 LEU 8 2HD2 LEU 8 0.673 1.725 -6.650 60 H SER 9 H SER 9 -1.405 5.225 -4.629 61 HA SER 9 HA SER 9 -1.866 7.413 -4.480 62 HB2 SER 9 2HB SER 9 -3.102 7.087 -7.235 63 HB3 SER 9 1HB SER 9 -2.629 8.617 -6.489 64 HG SER 9 HG SER 9 -1.170 7.378 -8.035 65 HN1 NH2 10 1H SER 9 -3.309 6.559 -2.824 66 HN2 NH2 10 2H SER 9 -5.003 6.835 -2.941 Start of MODEL 14 1 H1 CYS 1 1HT CYS 1 4.516 0.315 1.054 2 H2 CYS 1 2HT CYS 1 3.388 1.557 0.843 3 H3 CYS 1 3HT CYS 1 3.781 0.542 -0.452 4 HA CYS 1 HA CYS 1 2.484 -0.288 2.043 5 HB2 CYS 1 2HB CYS 1 1.332 0.095 -0.732 6 HB3 CYS 1 1HB CYS 1 0.478 -0.593 0.641 7 H TYR 2 H TYR 2 3.102 -2.277 2.442 8 HA TYR 2 HA TYR 2 3.813 -4.082 0.285 9 HB2 TYR 2 2HB TYR 2 5.263 -4.133 2.226 10 HB3 TYR 2 1HB TYR 2 3.889 -4.376 3.302 11 HD1 TYR 2 1HD TYR 2 5.719 -5.988 0.471 12 HD2 TYR 2 2HD TYR 2 3.266 -6.538 3.906 13 HE1 TYR 2 1HE TYR 2 5.977 -8.405 0.262 14 HE2 TYR 2 2HE TYR 2 3.523 -8.959 3.707 15 HH TYR 2 HH TYR 2 5.802 -10.422 1.670 16 H ILE 3 H ILE 3 1.400 -3.655 2.783 17 HA ILE 3 HA ILE 3 -0.105 -5.975 1.990 18 HB ILE 3 HB ILE 3 -0.978 -3.619 3.709 19 HG12 ILE 3 2HG1 ILE 3 0.229 -6.257 4.602 20 HG13 ILE 3 1HG1 ILE 3 1.066 -4.711 4.611 21 HG21 ILE 3 1HG2 ILE 3 -2.057 -6.442 3.518 22 HG22 ILE 3 2HG2 ILE 3 -2.845 -4.990 2.908 23 HG23 ILE 3 3HG2 ILE 3 -2.623 -5.209 4.643 24 HD11 ILE 3 3HD1 ILE 3 -0.528 -3.867 6.263 25 HD12 ILE 3 1HD1 ILE 3 0.295 -5.318 6.833 26 HD13 ILE 3 2HD1 ILE 3 -1.365 -5.420 6.244 27 H GLN 4 H GLN 4 -1.854 -5.936 0.596 28 HA GLN 4 HA GLN 4 -1.843 -3.729 -1.216 29 HB2 GLN 4 2HB GLN 4 -3.361 -6.324 -1.297 30 HB3 GLN 4 1HB GLN 4 -3.479 -5.095 -2.547 31 HG2 GLN 4 2HG GLN 4 -1.071 -5.270 -2.950 32 HG3 GLN 4 1HG GLN 4 -0.960 -6.514 -1.707 33 HE21 GLN 4 1HE2 GLN 4 -2.030 -5.751 -4.912 34 HE22 GLN 4 2HE2 GLN 4 -2.314 -7.376 -5.411 35 H GLY 5 H GLY 5 -3.290 -3.902 1.557 36 HA2 GLY 5 2HA GLY 5 -5.823 -2.664 0.853 37 HA3 GLY 5 1HA GLY 5 -5.167 -2.848 2.486 38 H CYS 6 H CYS 6 -4.255 -1.310 -0.508 39 HA CYS 6 HA CYS 6 -3.930 1.256 0.768 40 HB2 CYS 6 2HB CYS 6 -1.796 0.216 1.259 41 HB3 CYS 6 1HB CYS 6 -1.614 -0.298 -0.408 42 H THR 7 H THR 7 -5.281 2.228 -0.660 43 HA THR 7 HA THR 7 -5.097 1.762 -3.491 44 HB THR 7 HB THR 7 -6.571 3.937 -2.021 45 HG1 THR 7 1HG THR 7 -8.347 2.290 -2.286 46 HG21 THR 7 3HG2 THR 7 -8.134 3.804 -3.922 47 HG22 THR 7 1HG2 THR 7 -7.154 2.522 -4.633 48 HG23 THR 7 2HG2 THR 7 -6.493 4.147 -4.471 49 H LEU 8 H LEU 8 -4.331 3.349 -4.946 50 HA LEU 8 HA LEU 8 -2.621 5.391 -3.733 51 HB2 LEU 8 2HB LEU 8 -2.322 3.994 -6.403 52 HB3 LEU 8 1HB LEU 8 -1.347 5.350 -5.891 53 HG LEU 8 HG LEU 8 -0.008 3.451 -5.633 54 HD11 LEU 8 1HD1 LEU 8 0.476 3.321 -3.264 55 HD12 LEU 8 2HD1 LEU 8 -1.053 4.118 -2.908 56 HD13 LEU 8 3HD1 LEU 8 0.200 4.980 -3.803 57 HD21 LEU 8 3HD2 LEU 8 -2.241 2.106 -4.110 58 HD22 LEU 8 1HD2 LEU 8 -0.628 1.439 -4.367 59 HD23 LEU 8 2HD2 LEU 8 -1.705 1.704 -5.741 60 H SER 9 H SER 9 -2.797 7.458 -4.446 61 HA SER 9 HA SER 9 -4.593 8.030 -6.632 62 HB2 SER 9 2HB SER 9 -5.016 9.142 -3.831 63 HB3 SER 9 1HB SER 9 -5.935 9.612 -5.263 64 HG SER 9 HG SER 9 -5.938 6.986 -5.104 65 HN1 NH2 10 1H SER 9 -3.341 10.099 -4.051 66 HN2 NH2 10 2H SER 9 -2.233 10.971 -5.042 Start of MODEL 15 1 H1 CYS 1 1HT CYS 1 3.530 1.592 0.807 2 H2 CYS 1 2HT CYS 1 3.533 0.540 -0.530 3 H3 CYS 1 3HT CYS 1 4.692 0.373 0.678 4 HA CYS 1 HA CYS 1 3.095 -0.285 2.255 5 HB2 CYS 1 2HB CYS 1 1.138 0.102 -0.011 6 HB3 CYS 1 1HB CYS 1 0.765 -0.720 1.494 7 H TYR 2 H TYR 2 3.351 -2.401 2.516 8 HA TYR 2 HA TYR 2 3.792 -4.067 0.191 9 HB2 TYR 2 2HB TYR 2 5.350 -4.268 2.083 10 HB3 TYR 2 1HB TYR 2 4.015 -4.641 3.162 11 HD1 TYR 2 1HD TYR 2 5.555 -5.911 0.004 12 HD2 TYR 2 2HD TYR 2 3.641 -6.868 3.670 13 HE1 TYR 2 1HE TYR 2 5.871 -8.284 -0.464 14 HE2 TYR 2 2HE TYR 2 3.948 -9.261 3.209 15 HH TYR 2 HH TYR 2 4.245 -10.703 1.223 16 H ILE 3 H ILE 3 1.427 -3.390 2.597 17 HA ILE 3 HA ILE 3 -0.180 -5.705 2.117 18 HB ILE 3 HB ILE 3 -1.929 -4.602 3.369 19 HG12 ILE 3 2HG1 ILE 3 -0.094 -2.193 3.508 20 HG13 ILE 3 1HG1 ILE 3 -1.547 -2.296 2.521 21 HG21 ILE 3 1HG2 ILE 3 -0.731 -4.344 5.493 22 HG22 ILE 3 2HG2 ILE 3 0.798 -4.311 4.615 23 HG23 ILE 3 3HG2 ILE 3 -0.202 -5.765 4.593 24 HD11 ILE 3 3HD1 ILE 3 -1.437 -2.533 5.492 25 HD12 ILE 3 1HD1 ILE 3 -2.879 -2.588 4.488 26 HD13 ILE 3 2HD1 ILE 3 -1.939 -1.083 4.594 27 H GLN 4 H GLN 4 -2.091 -5.869 0.929 28 HA GLN 4 HA GLN 4 -2.076 -4.288 -1.427 29 HB2 GLN 4 2HB GLN 4 -2.561 -6.694 -1.510 30 HB3 GLN 4 1HB GLN 4 -3.982 -6.449 -0.506 31 HG2 GLN 4 2HG GLN 4 -4.622 -6.728 -2.803 32 HG3 GLN 4 1HG GLN 4 -4.971 -5.088 -2.243 33 HE21 GLN 4 1HE2 GLN 4 -3.025 -7.017 -4.339 34 HE22 GLN 4 2HE2 GLN 4 -2.370 -5.703 -5.250 35 H GLY 5 H GLY 5 -3.524 -4.150 1.492 36 HA2 GLY 5 2HA GLY 5 -5.854 -2.576 0.778 37 HA3 GLY 5 1HA GLY 5 -5.316 -2.920 2.417 38 H CYS 6 H CYS 6 -3.804 -1.389 -0.315 39 HA CYS 6 HA CYS 6 -3.806 1.205 0.885 40 HB2 CYS 6 2HB CYS 6 -1.857 0.162 1.989 41 HB3 CYS 6 1HB CYS 6 -1.212 -0.283 0.418 42 H THR 7 H THR 7 -4.742 2.036 -0.894 43 HA THR 7 HA THR 7 -3.526 1.516 -3.465 44 HB THR 7 HB THR 7 -5.670 2.816 -4.174 45 HG1 THR 7 1HG THR 7 -7.184 1.956 -2.221 46 HG21 THR 7 3HG2 THR 7 -6.987 0.736 -4.118 47 HG22 THR 7 1HG2 THR 7 -5.857 0.055 -2.946 48 HG23 THR 7 2HG2 THR 7 -5.316 0.420 -4.585 49 H LEU 8 H LEU 8 -2.845 3.283 -4.753 50 HA LEU 8 HA LEU 8 -2.587 5.803 -3.286 51 HB2 LEU 8 2HB LEU 8 -0.682 4.576 -5.283 52 HB3 LEU 8 1HB LEU 8 -0.595 6.252 -4.811 53 HG LEU 8 HG LEU 8 -0.201 5.453 -2.439 54 HD11 LEU 8 1HD1 LEU 8 0.620 3.193 -2.112 55 HD12 LEU 8 2HD1 LEU 8 0.233 2.806 -3.787 56 HD13 LEU 8 3HD1 LEU 8 -1.060 3.194 -2.652 57 HD21 LEU 8 3HD2 LEU 8 1.599 6.289 -3.828 58 HD22 LEU 8 1HD2 LEU 8 1.814 4.691 -4.542 59 HD23 LEU 8 2HD2 LEU 8 2.160 4.945 -2.833 60 H SER 9 H SER 9 -4.242 6.958 -4.001 61 HA SER 9 HA SER 9 -4.824 6.952 -6.842 62 HB2 SER 9 2HB SER 9 -6.348 8.229 -4.566 63 HB3 SER 9 1HB SER 9 -6.922 7.963 -6.212 64 HG SER 9 HG SER 9 -6.680 6.233 -4.103 65 HN1 NH2 10 1H SER 9 -3.250 8.263 -7.711 66 HN2 NH2 10 2H SER 9 -3.032 9.922 -7.291 Start of MODEL 16 1 H1 CYS 1 1HT CYS 1 2.868 1.385 -0.088 2 H2 CYS 1 2HT CYS 1 2.467 -0.008 -0.969 3 H3 CYS 1 3HT CYS 1 4.059 0.266 -0.504 4 HA CYS 1 HA CYS 1 3.521 -0.018 1.782 5 HB2 CYS 1 2HB CYS 1 0.729 -0.712 0.792 6 HB3 CYS 1 1HB CYS 1 1.273 -0.646 2.460 7 H TYR 2 H TYR 2 3.118 -2.321 2.676 8 HA TYR 2 HA TYR 2 3.994 -4.198 0.642 9 HB2 TYR 2 2HB TYR 2 5.107 -4.056 2.901 10 HB3 TYR 2 1HB TYR 2 3.614 -4.648 3.619 11 HD1 TYR 2 2HD TYR 2 6.444 -5.514 1.434 12 HD2 TYR 2 1HD TYR 2 3.047 -6.986 3.529 13 HE1 TYR 2 2HE TYR 2 7.204 -7.796 1.039 14 HE2 TYR 2 1HE TYR 2 3.794 -9.276 3.139 15 HH TYR 2 HH TYR 2 6.912 -10.001 2.069 16 H ILE 3 H ILE 3 1.345 -3.644 2.838 17 HA ILE 3 HA ILE 3 -0.197 -5.898 1.870 18 HB ILE 3 HB ILE 3 -0.999 -3.596 3.685 19 HG12 ILE 3 2HG1 ILE 3 -0.030 -6.367 4.453 20 HG13 ILE 3 1HG1 ILE 3 0.889 -4.882 4.632 21 HG21 ILE 3 1HG2 ILE 3 -2.804 -5.099 4.458 22 HG22 ILE 3 2HG2 ILE 3 -2.332 -6.270 3.228 23 HG23 ILE 3 3HG2 ILE 3 -2.943 -4.686 2.753 24 HD11 ILE 3 3HD1 ILE 3 -0.047 -5.615 6.751 25 HD12 ILE 3 1HD1 ILE 3 -1.671 -5.565 6.066 26 HD13 ILE 3 2HD1 ILE 3 -0.751 -4.073 6.261 27 H GLN 4 H GLN 4 -1.882 -5.688 0.399 28 HA GLN 4 HA GLN 4 -1.704 -3.383 -1.303 29 HB2 GLN 4 2HB GLN 4 -3.473 -5.815 -1.558 30 HB3 GLN 4 1HB GLN 4 -3.348 -4.543 -2.759 31 HG2 GLN 4 2HG GLN 4 -0.977 -5.064 -3.072 32 HG3 GLN 4 1HG GLN 4 -1.110 -6.350 -1.873 33 HE21 GLN 4 1HE2 GLN 4 -0.397 -6.473 -4.708 34 HE22 GLN 4 2HE2 GLN 4 -1.520 -7.582 -5.411 35 H GLY 5 H GLY 5 -3.545 -4.279 1.202 36 HA2 GLY 5 2HA GLY 5 -5.861 -2.590 0.677 37 HA3 GLY 5 1HA GLY 5 -5.508 -3.394 2.206 38 H CYS 6 H CYS 6 -3.382 -1.333 0.464 39 HA CYS 6 HA CYS 6 -3.689 0.934 2.239 40 HB2 CYS 6 2HB CYS 6 -1.991 -0.459 3.369 41 HB3 CYS 6 1HB CYS 6 -1.091 -0.610 1.869 42 H THR 7 H THR 7 -4.231 2.227 0.537 43 HA THR 7 HA THR 7 -2.535 2.011 -1.818 44 HB THR 7 HB THR 7 -4.435 3.249 -2.974 45 HG1 THR 7 1HG THR 7 -5.840 2.283 -0.684 46 HG21 THR 7 3HG2 THR 7 -3.997 0.880 -3.342 47 HG22 THR 7 1HG2 THR 7 -5.734 1.160 -3.275 48 HG23 THR 7 2HG2 THR 7 -4.903 0.464 -1.887 49 H LEU 8 H LEU 8 -0.951 3.361 -1.723 50 HA LEU 8 HA LEU 8 -1.495 6.174 -1.100 51 HB2 LEU 8 2HB LEU 8 1.026 4.596 -0.526 52 HB3 LEU 8 1HB LEU 8 0.848 6.318 -0.294 53 HG LEU 8 HG LEU 8 -0.595 4.159 1.249 54 HD11 LEU 8 1HD1 LEU 8 1.591 6.070 2.058 55 HD12 LEU 8 2HD1 LEU 8 1.760 4.331 1.819 56 HD13 LEU 8 3HD1 LEU 8 0.755 4.946 3.129 57 HD21 LEU 8 3HD2 LEU 8 -0.669 7.162 1.559 58 HD22 LEU 8 1HD2 LEU 8 -1.403 5.998 2.663 59 HD23 LEU 8 2HD2 LEU 8 -2.000 6.139 1.013 60 H SER 9 H SER 9 0.015 7.608 -2.245 61 HA SER 9 HA SER 9 0.401 6.625 -4.935 62 HB2 SER 9 2HB SER 9 -0.756 8.789 -4.524 63 HB3 SER 9 1HB SER 9 0.726 9.426 -3.810 64 HG SER 9 HG SER 9 0.292 9.937 -6.043 65 HN1 NH2 10 1H SER 9 2.180 5.344 -4.739 66 HN2 NH2 10 2H SER 9 3.743 5.919 -4.280 Start of MODEL 17 1 H1 CYS 1 1HT CYS 1 2.524 0.267 -0.691 2 H2 CYS 1 2HT CYS 1 4.194 0.305 -0.641 3 H3 CYS 1 3HT CYS 1 3.288 1.508 0.153 4 HA CYS 1 HA CYS 1 4.166 -0.122 1.713 5 HB2 CYS 1 2HB CYS 1 1.958 -0.751 2.714 6 HB3 CYS 1 1HB CYS 1 2.066 0.952 2.280 7 H TYR 2 H TYR 2 3.433 -2.399 2.604 8 HA TYR 2 HA TYR 2 3.932 -4.301 0.469 9 HB2 TYR 2 2HB TYR 2 5.275 -4.513 2.478 10 HB3 TYR 2 1HB TYR 2 3.833 -4.584 3.480 11 HD1 TYR 2 2HD TYR 2 5.648 -6.439 0.793 12 HD2 TYR 2 1HD TYR 2 2.895 -6.659 4.038 13 HE1 TYR 2 2HE TYR 2 5.660 -8.886 0.637 14 HE2 TYR 2 1HE TYR 2 2.904 -9.095 3.890 15 HH TYR 2 HH TYR 2 3.377 -10.819 2.225 16 H ILE 3 H ILE 3 1.442 -3.497 2.816 17 HA ILE 3 HA ILE 3 -0.279 -5.681 2.192 18 HB ILE 3 HB ILE 3 -0.876 -2.981 3.485 19 HG12 ILE 3 2HG1 ILE 3 -0.267 -5.650 4.773 20 HG13 ILE 3 1HG1 ILE 3 0.849 -4.302 4.676 21 HG21 ILE 3 1HG2 ILE 3 -2.926 -4.047 2.704 22 HG22 ILE 3 2HG2 ILE 3 -2.848 -4.077 4.468 23 HG23 ILE 3 3HG2 ILE 3 -2.485 -5.535 3.543 24 HD11 ILE 3 3HD1 ILE 3 -0.157 -4.456 6.878 25 HD12 ILE 3 1HD1 ILE 3 -1.768 -4.335 6.169 26 HD13 ILE 3 2HD1 ILE 3 -0.659 -2.967 6.075 27 H GLN 4 H GLN 4 -2.203 -5.577 0.800 28 HA GLN 4 HA GLN 4 -1.823 -3.678 -1.333 29 HB2 GLN 4 2HB GLN 4 -2.230 -6.111 -1.755 30 HB3 GLN 4 1HB GLN 4 -3.847 -5.900 -1.101 31 HG2 GLN 4 2HG GLN 4 -4.375 -4.345 -2.862 32 HG3 GLN 4 1HG GLN 4 -2.738 -4.510 -3.512 33 HE21 GLN 4 1HE2 GLN 4 -5.258 -5.110 -4.816 34 HE22 GLN 4 2HE2 GLN 4 -5.192 -6.779 -5.231 35 H GLY 5 H GLY 5 -3.850 -4.401 1.148 36 HA2 GLY 5 2HA GLY 5 -5.942 -2.514 0.404 37 HA3 GLY 5 1HA GLY 5 -5.942 -3.511 1.850 38 H CYS 6 H CYS 6 -3.778 -1.042 0.546 39 HA CYS 6 HA CYS 6 -3.786 0.317 3.166 40 HB2 CYS 6 2HB CYS 6 -2.079 0.841 0.723 41 HB3 CYS 6 1HB CYS 6 -1.922 1.628 2.279 42 H THR 7 H THR 7 -4.280 2.613 3.197 43 HA THR 7 HA THR 7 -6.040 3.405 1.078 44 HB THR 7 HB THR 7 -6.125 5.540 2.536 45 HG1 THR 7 1HG THR 7 -5.498 4.750 4.802 46 HG21 THR 7 3HG2 THR 7 -6.978 2.898 3.732 47 HG22 THR 7 1HG2 THR 7 -7.901 3.850 2.571 48 HG23 THR 7 2HG2 THR 7 -7.610 4.479 4.194 49 H LEU 8 H LEU 8 -5.374 4.549 -0.653 50 HA LEU 8 HA LEU 8 -2.673 5.666 -0.505 51 HB2 LEU 8 2HB LEU 8 -4.136 4.601 -2.921 52 HB3 LEU 8 1HB LEU 8 -2.529 5.298 -2.925 53 HG LEU 8 HG LEU 8 -3.292 2.803 -1.443 54 HD11 LEU 8 1HD1 LEU 8 -3.464 2.461 -3.863 55 HD12 LEU 8 2HD1 LEU 8 -2.061 1.608 -3.223 56 HD13 LEU 8 3HD1 LEU 8 -1.849 3.133 -4.084 57 HD21 LEU 8 3HD2 LEU 8 -0.598 4.028 -2.043 58 HD22 LEU 8 1HD2 LEU 8 -0.859 2.463 -1.273 59 HD23 LEU 8 2HD2 LEU 8 -1.383 3.937 -0.466 60 H SER 9 H SER 9 -3.291 7.621 0.183 61 HA SER 9 HA SER 9 -4.564 9.316 -1.843 62 HB2 SER 9 2HB SER 9 -5.075 9.473 1.136 63 HB3 SER 9 1HB SER 9 -5.749 10.541 -0.096 64 HG SER 9 HG SER 9 -7.008 8.669 0.721 65 HN1 NH2 10 1H SER 9 -2.432 9.886 -2.406 66 HN2 NH2 10 2H SER 9 -1.490 10.954 -1.425 Start of MODEL 18 1 H1 CYS 1 1HT CYS 1 3.729 0.807 -0.237 2 H2 CYS 1 2HT CYS 1 4.986 0.218 0.721 3 H3 CYS 1 3HT CYS 1 4.106 1.561 1.227 4 HA CYS 1 HA CYS 1 3.471 -0.399 2.418 5 HB2 CYS 1 2HB CYS 1 1.015 -0.267 1.903 6 HB3 CYS 1 1HB CYS 1 1.779 1.299 2.134 7 H TYR 2 H TYR 2 3.549 -2.525 2.370 8 HA TYR 2 HA TYR 2 3.594 -3.919 -0.166 9 HB2 TYR 2 2HB TYR 2 5.308 -4.375 1.571 10 HB3 TYR 2 1HB TYR 2 4.042 -4.916 2.661 11 HD1 TYR 2 2HD TYR 2 5.540 -5.632 -0.658 12 HD2 TYR 2 1HD TYR 2 3.462 -7.194 2.702 13 HE1 TYR 2 2HE TYR 2 5.775 -7.868 -1.573 14 HE2 TYR 2 1HE TYR 2 3.692 -9.455 1.795 15 HH TYR 2 HH TYR 2 5.808 -10.197 -0.727 16 H ILE 3 H ILE 3 1.565 -3.455 2.594 17 HA ILE 3 HA ILE 3 -0.194 -5.614 2.350 18 HB ILE 3 HB ILE 3 -1.866 -4.187 3.459 19 HG12 ILE 3 2HG1 ILE 3 0.266 -2.039 3.396 20 HG13 ILE 3 1HG1 ILE 3 -1.156 -2.056 2.358 21 HG21 ILE 3 1HG2 ILE 3 0.895 -4.198 4.661 22 HG22 ILE 3 2HG2 ILE 3 -0.331 -5.457 4.796 23 HG23 ILE 3 3HG2 ILE 3 -0.593 -3.884 5.550 24 HD11 ILE 3 3HD1 ILE 3 -1.457 -0.596 4.269 25 HD12 ILE 3 1HD1 ILE 3 -1.148 -1.981 5.334 26 HD13 ILE 3 2HD1 ILE 3 -2.569 -1.981 4.289 27 H GLN 4 H GLN 4 -2.092 -5.923 1.240 28 HA GLN 4 HA GLN 4 -2.222 -4.661 -1.298 29 HB2 GLN 4 2HB GLN 4 -4.071 -6.621 0.009 30 HB3 GLN 4 1HB GLN 4 -4.268 -6.042 -1.633 31 HG2 GLN 4 2HG GLN 4 -2.063 -6.974 -2.196 32 HG3 GLN 4 1HG GLN 4 -1.942 -7.607 -0.553 33 HE21 GLN 4 1HE2 GLN 4 -1.864 -9.707 -1.246 34 HE22 GLN 4 2HE2 GLN 4 -3.238 -10.543 -1.856 35 H GLY 5 H GLY 5 -3.680 -4.150 1.592 36 HA2 GLY 5 2HA GLY 5 -5.901 -2.553 0.603 37 HA3 GLY 5 1HA GLY 5 -5.453 -2.727 2.293 38 H CYS 6 H CYS 6 -3.960 -1.506 -0.629 39 HA CYS 6 HA CYS 6 -3.750 1.190 0.166 40 HB2 CYS 6 2HB CYS 6 -2.025 0.296 1.691 41 HB3 CYS 6 1HB CYS 6 -1.259 -0.541 0.351 42 H THR 7 H THR 7 -3.306 2.356 -1.732 43 HA THR 7 HA THR 7 -3.061 0.803 -4.107 44 HB THR 7 HB THR 7 -3.117 3.154 -5.146 45 HG1 THR 7 1HG THR 7 -2.776 4.570 -3.618 46 HG21 THR 7 3HG2 THR 7 -5.051 1.656 -5.117 47 HG22 THR 7 1HG2 THR 7 -5.560 3.316 -4.815 48 HG23 THR 7 2HG2 THR 7 -5.439 2.174 -3.478 49 H LEU 8 H LEU 8 -1.137 0.086 -4.623 50 HA LEU 8 HA LEU 8 1.180 1.827 -4.214 51 HB2 LEU 8 2HB LEU 8 1.315 -0.316 -3.069 52 HB3 LEU 8 1HB LEU 8 0.996 -1.164 -4.567 53 HG LEU 8 HG LEU 8 3.149 -0.295 -5.460 54 HD11 LEU 8 1HD1 LEU 8 3.553 0.683 -2.638 55 HD12 LEU 8 2HD1 LEU 8 3.391 1.684 -4.082 56 HD13 LEU 8 3HD1 LEU 8 4.788 0.628 -3.895 57 HD21 LEU 8 3HD2 LEU 8 2.959 -2.527 -4.485 58 HD22 LEU 8 1HD2 LEU 8 3.343 -1.871 -2.895 59 HD23 LEU 8 2HD2 LEU 8 4.547 -1.828 -4.188 60 H SER 9 H SER 9 1.337 2.988 -6.043 61 HA SER 9 HA SER 9 0.768 1.880 -8.601 62 HB2 SER 9 2HB SER 9 2.254 4.444 -7.971 63 HB3 SER 9 1HB SER 9 1.349 4.050 -9.430 64 HG SER 9 HG SER 9 -0.540 3.975 -8.164 65 HN1 NH2 10 1H SER 9 3.784 3.417 -7.501 66 HN2 NH2 10 2H SER 9 4.828 2.220 -8.167 Start of MODEL 19 1 H1 CYS 1 1HT CYS 1 3.595 1.472 0.544 2 H2 CYS 1 2HT CYS 1 2.910 0.426 -0.611 3 H3 CYS 1 3HT CYS 1 4.510 0.222 -0.138 4 HA CYS 1 HA CYS 1 3.899 -0.398 2.004 5 HB2 CYS 1 2HB CYS 1 1.443 -0.825 2.469 6 HB3 CYS 1 1HB CYS 1 1.895 0.869 2.412 7 H TYR 2 H TYR 2 3.669 -2.593 2.468 8 HA TYR 2 HA TYR 2 3.703 -4.330 0.134 9 HB2 TYR 2 2HB TYR 2 4.160 -4.908 3.076 10 HB3 TYR 2 1HB TYR 2 4.325 -6.089 1.788 11 HD1 TYR 2 2HD TYR 2 6.162 -5.790 0.102 12 HD2 TYR 2 1HD TYR 2 5.931 -3.421 3.625 13 HE1 TYR 2 2HE TYR 2 8.518 -5.209 -0.146 14 HE2 TYR 2 1HE TYR 2 8.288 -2.831 3.393 15 HH TYR 2 HH TYR 2 10.308 -3.788 2.342 16 H ILE 3 H ILE 3 1.600 -3.192 2.401 17 HA ILE 3 HA ILE 3 -0.278 -5.381 2.395 18 HB ILE 3 HB ILE 3 -0.663 -2.463 3.161 19 HG12 ILE 3 2HG1 ILE 3 0.033 -4.793 4.955 20 HG13 ILE 3 1HG1 ILE 3 1.151 -3.529 4.462 21 HG21 ILE 3 1HG2 ILE 3 -2.535 -3.288 4.537 22 HG22 ILE 3 2HG2 ILE 3 -2.281 -4.909 3.890 23 HG23 ILE 3 3HG2 ILE 3 -2.775 -3.593 2.820 24 HD11 ILE 3 3HD1 ILE 3 0.319 -3.166 6.714 25 HD12 ILE 3 1HD1 ILE 3 -1.336 -3.144 6.108 26 HD13 ILE 3 2HD1 ILE 3 -0.207 -1.874 5.633 27 H GLN 4 H GLN 4 -2.051 -5.471 0.950 28 HA GLN 4 HA GLN 4 -1.882 -3.497 -1.171 29 HB2 GLN 4 2HB GLN 4 -3.154 -6.216 -1.186 30 HB3 GLN 4 1HB GLN 4 -3.343 -5.062 -2.498 31 HG2 GLN 4 2HG GLN 4 -0.851 -5.017 -2.707 32 HG3 GLN 4 1HG GLN 4 -0.795 -6.334 -1.539 33 HE21 GLN 4 1HE2 GLN 4 0.130 -7.721 -3.008 34 HE22 GLN 4 2HE2 GLN 4 -0.756 -8.392 -4.332 35 H GLY 5 H GLY 5 -3.608 -4.199 1.429 36 HA2 GLY 5 2HA GLY 5 -6.118 -3.009 0.608 37 HA3 GLY 5 1HA GLY 5 -5.677 -3.475 2.248 38 H CYS 6 H CYS 6 -4.095 -1.344 -0.005 39 HA CYS 6 HA CYS 6 -4.146 0.766 2.022 40 HB2 CYS 6 2HB CYS 6 -2.393 0.436 -0.427 41 HB3 CYS 6 1HB CYS 6 -2.324 1.807 0.660 42 H THR 7 H THR 7 -5.754 2.152 1.678 43 HA THR 7 HA THR 7 -6.853 2.422 -0.960 44 HB THR 7 HB THR 7 -8.464 2.437 0.785 45 HG1 THR 7 1HG THR 7 -8.430 5.165 0.214 46 HG21 THR 7 3HG2 THR 7 -8.552 4.174 2.559 47 HG22 THR 7 1HG2 THR 7 -6.999 4.789 1.995 48 HG23 THR 7 2HG2 THR 7 -7.109 3.167 2.685 49 H LEU 8 H LEU 8 -6.782 4.176 -2.139 50 HA LEU 8 HA LEU 8 -4.849 6.229 -1.335 51 HB2 LEU 8 2HB LEU 8 -5.084 4.991 -4.081 52 HB3 LEU 8 1HB LEU 8 -4.107 6.394 -3.706 53 HG LEU 8 HG LEU 8 -3.684 3.606 -2.612 54 HD11 LEU 8 1HD1 LEU 8 -1.630 3.667 -3.939 55 HD12 LEU 8 2HD1 LEU 8 -2.142 5.209 -4.632 56 HD13 LEU 8 3HD1 LEU 8 -3.080 3.749 -4.932 57 HD21 LEU 8 3HD2 LEU 8 -1.580 4.522 -1.702 58 HD22 LEU 8 1HD2 LEU 8 -3.004 5.270 -0.977 59 HD23 LEU 8 2HD2 LEU 8 -2.087 6.136 -2.204 60 H SER 9 H SER 9 -5.311 8.261 -1.817 61 HA SER 9 HA SER 9 -8.080 8.809 -2.269 62 HB2 SER 9 2HB SER 9 -5.763 10.698 -1.872 63 HB3 SER 9 1HB SER 9 -7.477 11.034 -1.596 64 HG SER 9 HG SER 9 -6.978 8.923 -0.184 65 HN1 NH2 10 1H SER 9 -8.486 8.373 -4.394 66 HN2 NH2 10 2H SER 9 -7.757 9.192 -5.733 Start of MODEL 20 1 H1 CYS 1 1HT CYS 1 5.179 0.317 0.367 2 H2 CYS 1 2HT CYS 1 4.409 1.645 1.071 3 H3 CYS 1 3HT CYS 1 3.734 0.902 -0.287 4 HA CYS 1 HA CYS 1 4.032 -0.275 2.375 5 HB2 CYS 1 2HB CYS 1 1.521 -0.179 2.348 6 HB3 CYS 1 1HB CYS 1 2.283 1.404 2.349 7 H TYR 2 H TYR 2 3.823 -2.486 2.459 8 HA TYR 2 HA TYR 2 3.099 -3.789 -0.054 9 HB2 TYR 2 2HB TYR 2 4.943 -4.819 2.111 10 HB3 TYR 2 1HB TYR 2 4.377 -5.784 0.758 11 HD1 TYR 2 1HD TYR 2 5.034 -5.127 -1.568 12 HD2 TYR 2 2HD TYR 2 6.751 -3.342 1.881 13 HE1 TYR 2 1HE TYR 2 6.912 -4.326 -2.926 14 HE2 TYR 2 2HE TYR 2 8.615 -2.540 0.558 15 HH TYR 2 HH TYR 2 8.600 -2.621 -2.862 16 H ILE 3 H ILE 3 1.011 -3.250 0.831 17 HA ILE 3 HA ILE 3 -0.109 -5.605 2.022 18 HB ILE 3 HB ILE 3 -1.726 -4.154 3.310 19 HG12 ILE 3 2HG1 ILE 3 0.436 -2.079 2.980 20 HG13 ILE 3 1HG1 ILE 3 -1.172 -2.029 2.262 21 HG21 ILE 3 1HG2 ILE 3 -0.112 -5.495 4.481 22 HG22 ILE 3 2HG2 ILE 3 -0.304 -3.943 5.300 23 HG23 ILE 3 3HG2 ILE 3 1.112 -4.238 4.290 24 HD11 ILE 3 3HD1 ILE 3 -1.031 -0.611 4.234 25 HD12 ILE 3 1HD1 ILE 3 -0.535 -2.032 5.172 26 HD13 ILE 3 2HD1 ILE 3 -2.148 -1.978 4.459 27 H GLN 4 H GLN 4 -2.286 -5.862 1.321 28 HA GLN 4 HA GLN 4 -2.566 -4.944 -1.332 29 HB2 GLN 4 2HB GLN 4 -3.197 -7.211 -0.410 30 HB3 GLN 4 1HB GLN 4 -4.593 -6.426 0.317 31 HG2 GLN 4 2HG GLN 4 -5.260 -7.451 -1.703 32 HG3 GLN 4 1HG GLN 4 -5.265 -5.691 -1.916 33 HE21 GLN 4 1HE2 GLN 4 -3.675 -8.660 -2.759 34 HE22 GLN 4 2HE2 GLN 4 -2.777 -8.032 -4.077 35 H GLY 5 H GLY 5 -3.950 -4.244 1.595 36 HA2 GLY 5 2HA GLY 5 -5.981 -2.452 0.498 37 HA3 GLY 5 1HA GLY 5 -5.757 -2.796 2.209 38 H CYS 6 H CYS 6 -4.018 -1.332 -0.469 39 HA CYS 6 HA CYS 6 -3.666 1.141 0.919 40 HB2 CYS 6 2HB CYS 6 -1.888 -0.189 1.979 41 HB3 CYS 6 1HB CYS 6 -1.237 -0.616 0.398 42 H THR 7 H THR 7 -3.067 2.755 -0.578 43 HA THR 7 HA THR 7 -2.399 1.856 -3.274 44 HB THR 7 HB THR 7 -4.346 4.087 -2.768 45 HG1 THR 7 1HG THR 7 -4.729 1.319 -2.750 46 HG21 THR 7 3HG2 THR 7 -5.007 3.626 -5.107 47 HG22 THR 7 1HG2 THR 7 -3.824 2.321 -5.169 48 HG23 THR 7 2HG2 THR 7 -3.286 3.989 -4.977 49 H LEU 8 H LEU 8 -1.019 3.264 -4.269 50 HA LEU 8 HA LEU 8 0.021 5.435 -2.601 51 HB2 LEU 8 2HB LEU 8 1.602 3.611 -3.164 52 HB3 LEU 8 1HB LEU 8 1.323 3.910 -4.863 53 HG LEU 8 HG LEU 8 2.339 6.157 -4.608 54 HD11 LEU 8 1HD1 LEU 8 2.970 5.218 -1.811 55 HD12 LEU 8 2HD1 LEU 8 1.884 6.541 -2.249 56 HD13 LEU 8 3HD1 LEU 8 3.610 6.668 -2.581 57 HD21 LEU 8 3HD2 LEU 8 4.646 5.351 -4.367 58 HD22 LEU 8 1HD2 LEU 8 3.673 4.279 -5.374 59 HD23 LEU 8 2HD2 LEU 8 4.037 3.838 -3.705 60 H SER 9 H SER 9 0.005 7.462 -3.415 61 HA SER 9 HA SER 9 -0.813 7.827 -6.175 62 HB2 SER 9 2HB SER 9 -2.829 8.008 -4.770 63 HB3 SER 9 1HB SER 9 -2.026 9.195 -3.753 64 HG SER 9 HG SER 9 -2.885 9.453 -6.441 65 HN1 NH2 10 1H SER 9 1.247 8.424 -6.683 66 HN2 NH2 10 2H SER 9 2.055 9.816 -6.053
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