NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
542803 | 2lu6 | 18510 | 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 HT1 CYS 1 12.717 17.518 13.689 2 H2 CYS 1 HT2 CYS 1 12.285 17.982 12.111 3 H3 CYS 1 HT3 CYS 1 11.509 18.628 13.473 4 HA CYS 1 HA CYS 1 13.187 20.122 12.418 5 HB2 CYS 1 HB2 CYS 1 12.369 20.288 14.778 6 HB3 CYS 1 HB1 CYS 1 13.641 19.194 15.317 7 H ASN 2 HN ASN 2 15.660 20.614 12.974 8 HA ASN 2 HA ASN 2 17.075 18.379 11.586 9 HB2 ASN 2 HB2 ASN 2 19.072 19.754 11.438 10 HB3 ASN 2 HB1 ASN 2 17.759 20.203 10.415 11 HD21 ASN 2 HD21 ASN 2 19.436 21.178 13.511 12 HD22 ASN 2 HD22 ASN 2 19.159 22.840 13.087 13 H CYS 3 HN CYS 3 16.462 17.135 13.581 14 HA CYS 3 HA CYS 3 18.273 17.525 15.820 15 HB2 CYS 3 HB2 CYS 3 15.947 16.951 16.315 16 HB3 CYS 3 HB1 CYS 3 16.068 15.467 15.372 17 H SER 4 HN SER 4 19.839 17.368 13.832 18 HA SER 4 HA SER 4 20.831 14.655 13.527 19 HB2 SER 4 HB2 SER 4 22.028 17.297 12.525 20 HB3 SER 4 HB1 SER 4 22.530 15.646 12.067 21 HG SER 4 HG SER 4 20.990 16.863 10.673 22 H ARG 5 HN ARG 5 23.190 14.275 14.128 23 HA ARG 5 HA ARG 5 23.495 14.777 16.797 24 HB2 ARG 5 HB2 ARG 5 24.315 12.818 15.680 25 HB3 ARG 5 HB1 ARG 5 25.461 13.759 14.687 26 HG2 ARG 5 HG2 ARG 5 26.811 14.285 16.686 27 HG3 ARG 5 HG1 ARG 5 25.600 13.500 17.751 28 HD2 ARG 5 HD2 ARG 5 26.111 11.251 16.695 29 HD3 ARG 5 HD1 ARG 5 27.243 12.082 15.567 30 HE ARG 5 HE ARG 5 28.698 12.634 17.441 31 HH11 ARG 5 HH11 ARG 5 25.867 10.993 18.817 32 HH12 ARG 5 HH12 ARG 5 26.797 10.225 20.040 33 HH21 ARG 5 HH21 ARG 5 29.908 11.274 18.855 34 HH22 ARG 5 HH22 ARG 5 29.101 10.270 19.996 35 H TRP 6 HN TRP 6 25.077 16.518 14.074 36 HA TRP 6 HA TRP 6 26.365 18.244 16.017 37 HB2 TRP 6 HB2 TRP 6 26.994 17.388 13.301 38 HB3 TRP 6 HB1 TRP 6 26.990 19.164 13.467 39 HD1 TRP 6 HD1 TRP 6 29.448 16.434 14.168 40 HE1 TRP 6 HE1 TRP 6 31.412 17.576 15.391 41 HE3 TRP 6 HE3 TRP 6 27.103 20.693 15.529 42 HZ2 TRP 6 HZ2 TRP 6 31.847 19.972 16.825 43 HZ3 TRP 6 HZ3 TRP 6 28.321 22.386 16.782 44 HH2 TRP 6 HH2 TRP 6 30.668 22.040 17.431 45 H ALA 7 HN ALA 7 23.661 18.571 16.410 46 HA ALA 7 HA ALA 7 22.702 20.698 14.806 47 HB1 ALA 7 HB1 ALA 7 21.700 19.629 17.477 48 HB2 ALA 7 HB2 ALA 7 21.181 19.147 15.816 49 HB3 ALA 7 HB3 ALA 7 20.854 20.817 16.385 50 H ARG 8 HN ARG 8 24.325 22.312 14.820 51 HA ARG 8 HA ARG 8 25.281 23.393 17.267 52 HB2 ARG 8 HB2 ARG 8 26.673 24.700 16.007 53 HB3 ARG 8 HB1 ARG 8 26.523 23.096 15.195 54 HG2 ARG 8 HG2 ARG 8 25.108 24.059 13.395 55 HG3 ARG 8 HG1 ARG 8 25.128 25.653 14.248 56 HD2 ARG 8 HD2 ARG 8 27.657 25.417 14.261 57 HD3 ARG 8 HD1 ARG 8 27.505 24.129 12.988 58 HE ARG 8 HE ARG 8 25.928 26.118 11.896 59 HH11 ARG 8 HH11 ARG 8 29.321 25.964 12.944 60 HH12 ARG 8 HH12 ARG 8 29.808 27.400 12.146 61 HH21 ARG 8 HH21 ARG 8 26.572 28.160 10.875 62 HH22 ARG 8 HH22 ARG 8 28.278 28.496 10.777 63 H ASP 9 HN ASP 9 22.950 24.339 14.905 64 HA ASP 9 HA ASP 9 22.489 26.947 15.630 65 HB2 ASP 9 HB2 ASP 9 20.593 24.926 14.288 66 HB3 ASP 9 HB1 ASP 9 20.454 26.727 14.179 67 H HIS 10 HN HIS 10 20.246 27.828 16.102 68 HA HIS 10 HA HIS 10 19.601 27.058 18.746 69 HB2 HIS 10 HB2 HIS 10 17.980 29.045 17.072 70 HB3 HIS 10 HB1 HIS 10 17.987 28.798 18.846 71 HD1 HIS 10 HD1 HIS 10 18.612 31.555 17.966 72 HD2 HIS 10 HD2 HIS 10 21.568 28.661 18.666 73 HE1 HIS 10 HE1 HIS 10 20.712 32.738 18.925 74 H SER 11 HN SER 11 18.168 26.234 15.655 75 HA SER 11 HA SER 11 15.815 25.104 16.563 76 HB2 SER 11 HB2 SER 11 17.575 24.269 14.187 77 HB3 SER 11 HB1 SER 11 15.827 23.894 14.403 78 HG SER 11 HG SER 11 16.998 26.071 13.404 79 H ARG 12 HN ARG 12 17.224 24.221 18.527 80 HA ARG 12 HA ARG 12 17.998 21.425 18.030 81 HB2 ARG 12 HB2 ARG 12 19.528 22.707 19.444 82 HB3 ARG 12 HB1 ARG 12 18.162 22.938 20.596 83 HG2 ARG 12 HG2 ARG 12 18.132 20.446 20.966 84 HG3 ARG 12 HG1 ARG 12 19.322 20.210 19.675 85 HD2 ARG 12 HD2 ARG 12 19.951 22.031 22.077 86 HD3 ARG 12 HD1 ARG 12 20.083 20.250 22.239 87 HE ARG 12 HE ARG 12 21.681 21.996 20.341 88 HH11 ARG 12 HH21 ARG 12 21.264 18.746 21.896 89 HH12 ARG 12 HH22 ARG 12 22.662 18.135 21.047 90 HH21 ARG 12 HH11 ARG 12 23.400 20.949 19.209 91 HH22 ARG 12 HH12 ARG 12 23.955 19.409 19.733 92 H CYS 13 HN CYS 13 15.559 21.351 17.378 93 HA CYS 13 HA CYS 13 13.673 21.578 19.471 94 HB2 CYS 13 HB2 CYS 13 12.866 20.153 16.956 95 HB3 CYS 13 HB1 CYS 13 11.984 21.311 17.966 96 H CYS 14 HN CYS 14 15.748 19.088 18.879 97 HA CYS 14 HA CYS 14 14.619 16.784 18.580 98 HB2 CYS 14 HB2 CYS 14 16.590 17.334 20.866 99 HB3 CYS 14 HB1 CYS 14 16.239 15.746 20.088 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 14.802 16.156 11.467 2 H2 CYS 1 HT2 CYS 1 13.204 16.547 11.879 3 H3 CYS 1 HT3 CYS 1 14.352 16.300 13.086 4 HA CYS 1 HA CYS 1 14.299 18.490 11.144 5 HB2 CYS 1 HB2 CYS 1 12.610 18.437 13.075 6 HB3 CYS 1 HB1 CYS 1 13.966 18.575 14.193 7 H ASN 2 HN ASN 2 15.620 20.200 12.994 8 HA ASN 2 HA ASN 2 18.417 19.259 12.540 9 HB2 ASN 2 HB2 ASN 2 18.016 22.069 13.568 10 HB3 ASN 2 HB1 ASN 2 19.269 21.321 12.629 11 HD21 ASN 2 HD21 ASN 2 15.856 22.649 12.268 12 HD22 ASN 2 HD22 ASN 2 16.202 22.968 10.608 13 H CYS 3 HN CYS 3 16.743 18.217 14.798 14 HA CYS 3 HA CYS 3 17.808 19.297 17.168 15 HB2 CYS 3 HB2 CYS 3 15.754 17.960 17.459 16 HB3 CYS 3 HB1 CYS 3 16.494 16.595 16.607 17 H SER 4 HN SER 4 19.022 16.532 15.219 18 HA SER 4 HA SER 4 20.871 15.818 17.181 19 HB2 SER 4 HB2 SER 4 20.909 15.217 14.184 20 HB3 SER 4 HB1 SER 4 22.001 14.471 15.389 21 HG SER 4 HG SER 4 20.075 13.285 14.888 22 H ARG 5 HN ARG 5 23.106 15.939 17.260 23 HA ARG 5 HA ARG 5 23.665 18.698 17.126 24 HB2 ARG 5 HB2 ARG 5 25.249 16.346 18.279 25 HB3 ARG 5 HB1 ARG 5 25.891 17.999 18.269 26 HG2 ARG 5 HG2 ARG 5 24.036 18.881 19.602 27 HG3 ARG 5 HG1 ARG 5 23.260 17.270 19.644 28 HD2 ARG 5 HD2 ARG 5 25.051 16.357 20.976 29 HD3 ARG 5 HD1 ARG 5 26.157 17.739 20.663 30 HE ARG 5 HE ARG 5 23.906 17.712 22.605 31 HH11 ARG 5 HH21 ARG 5 26.106 19.821 20.703 32 HH12 ARG 5 HH22 ARG 5 25.443 21.253 21.444 33 HH21 ARG 5 HH11 ARG 5 23.255 19.673 23.631 34 HH22 ARG 5 HH12 ARG 5 24.189 21.110 23.339 35 H TRP 6 HN TRP 6 24.322 16.404 14.853 36 HA TRP 6 HA TRP 6 26.624 17.603 13.725 37 HB2 TRP 6 HB2 TRP 6 24.450 15.721 12.685 38 HB3 TRP 6 HB1 TRP 6 25.467 16.617 11.507 39 HD1 TRP 6 HD1 TRP 6 25.900 13.412 13.509 40 HE1 TRP 6 HE1 TRP 6 28.368 12.755 13.302 41 HE3 TRP 6 HE3 TRP 6 27.643 17.725 11.558 42 HZ2 TRP 6 HZ2 TRP 6 30.762 13.931 12.302 43 HZ3 TRP 6 HZ3 TRP 6 30.014 17.903 10.944 44 HH2 TRP 6 HH2 TRP 6 31.551 16.038 11.314 45 H ALA 7 HN ALA 7 23.210 18.718 13.703 46 HA ALA 7 HA ALA 7 23.956 20.531 11.586 47 HB1 ALA 7 HB1 ALA 7 21.811 19.387 11.535 48 HB2 ALA 7 HB2 ALA 7 21.633 21.170 11.566 49 HB3 ALA 7 HB3 ALA 7 21.324 20.192 13.078 50 H ARG 8 HN ARG 8 22.159 22.700 12.747 51 HA ARG 8 HA ARG 8 24.159 23.951 14.320 52 HB2 ARG 8 HB2 ARG 8 21.379 24.908 13.385 53 HB3 ARG 8 HB1 ARG 8 22.673 25.870 14.118 54 HG2 ARG 8 HG2 ARG 8 24.139 25.533 12.159 55 HG3 ARG 8 HG1 ARG 8 22.945 24.434 11.389 56 HD2 ARG 8 HD2 ARG 8 22.217 27.207 12.385 57 HD3 ARG 8 HD1 ARG 8 22.974 27.066 10.732 58 HE ARG 8 HE ARG 8 20.250 26.228 11.583 59 HH11 ARG 8 HH11 ARG 8 22.731 25.669 9.010 60 HH12 ARG 8 HH12 ARG 8 21.468 25.090 7.926 61 HH21 ARG 8 HH21 ARG 8 18.772 25.778 9.862 62 HH22 ARG 8 HH22 ARG 8 19.419 25.151 8.389 63 H ASP 9 HN ASP 9 24.010 24.805 16.275 64 HA ASP 9 HA ASP 9 23.235 23.144 18.236 65 HB2 ASP 9 HB2 ASP 9 23.792 26.176 18.228 66 HB3 ASP 9 HB1 ASP 9 23.693 25.208 19.744 67 H HIS 10 HN HIS 10 21.696 26.254 17.523 68 HA HIS 10 HA HIS 10 20.148 26.217 19.852 69 HB2 HIS 10 HB2 HIS 10 19.457 27.921 17.391 70 HB3 HIS 10 HB1 HIS 10 19.312 28.355 19.112 71 HD1 HIS 10 HD1 HIS 10 20.773 29.973 16.958 72 HD2 HIS 10 HD2 HIS 10 22.528 27.711 20.014 73 HE1 HIS 10 HE1 HIS 10 22.945 31.204 17.752 74 H SER 11 HN SER 11 19.614 24.963 16.723 75 HA SER 11 HA SER 11 16.731 25.086 16.823 76 HB2 SER 11 HB2 SER 11 16.957 23.841 14.555 77 HB3 SER 11 HB1 SER 11 17.503 25.523 14.705 78 HG SER 11 HG SER 11 19.245 23.291 14.978 79 H ARG 12 HN ARG 12 17.009 23.772 18.890 80 HA ARG 12 HA ARG 12 17.365 20.912 18.384 81 HB2 ARG 12 HB2 ARG 12 18.298 21.798 20.520 82 HB3 ARG 12 HB1 ARG 12 16.614 22.237 20.981 83 HG2 ARG 12 HG2 ARG 12 16.121 19.654 20.813 84 HG3 ARG 12 HG1 ARG 12 17.898 19.491 20.573 85 HD2 ARG 12 HD2 ARG 12 18.074 20.877 22.829 86 HD3 ARG 12 HD1 ARG 12 16.293 20.556 22.990 87 HE ARG 12 HE ARG 12 18.188 18.272 22.421 88 HH11 ARG 12 HH21 ARG 12 16.235 19.739 25.035 89 HH12 ARG 12 HH22 ARG 12 17.243 18.952 26.240 90 HH21 ARG 12 HH11 ARG 12 19.058 17.092 23.844 91 HH22 ARG 12 HH12 ARG 12 18.532 17.061 25.514 92 H CYS 13 HN CYS 13 15.453 21.033 16.867 93 HA CYS 13 HA CYS 13 12.918 21.663 17.708 94 HB2 CYS 13 HB2 CYS 13 13.161 19.488 15.627 95 HB3 CYS 13 HB1 CYS 13 12.091 20.903 15.689 96 H CYS 14 HN CYS 14 14.594 18.927 18.666 97 HA CYS 14 HA CYS 14 12.930 16.806 18.556 98 HB2 CYS 14 HB2 CYS 14 15.006 17.691 20.614 99 HB3 CYS 14 HB1 CYS 14 13.999 16.269 20.921 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 11.417 18.562 12.399 2 H2 CYS 1 HT2 CYS 1 12.495 17.600 13.289 3 H3 CYS 1 HT3 CYS 1 12.783 17.915 11.665 4 HA CYS 1 HA CYS 1 12.984 20.277 12.162 5 HB2 CYS 1 HB2 CYS 1 11.659 20.266 14.239 6 HB3 CYS 1 HB1 CYS 1 12.805 19.172 15.019 7 H ASN 2 HN ASN 2 15.045 21.243 12.718 8 HA ASN 2 HA ASN 2 17.184 19.240 12.161 9 HB2 ASN 2 HB2 ASN 2 18.817 21.163 12.217 10 HB3 ASN 2 HB1 ASN 2 17.858 20.876 10.783 11 HD21 ASN 2 HD21 ASN 2 17.331 22.639 13.941 12 HD22 ASN 2 HD22 ASN 2 17.270 24.176 13.123 13 H CYS 3 HN CYS 3 16.389 18.309 14.198 14 HA CYS 3 HA CYS 3 17.969 19.049 16.512 15 HB2 CYS 3 HB2 CYS 3 15.904 17.799 16.875 16 HB3 CYS 3 HB1 CYS 3 16.423 16.508 15.781 17 H SER 4 HN SER 4 19.962 19.423 15.140 18 HA SER 4 HA SER 4 21.088 17.062 13.920 19 HB2 SER 4 HB2 SER 4 22.263 19.889 14.090 20 HB3 SER 4 HB1 SER 4 22.745 18.564 12.982 21 HG SER 4 HG SER 4 21.055 20.409 12.481 22 H ARG 5 HN ARG 5 22.805 15.912 14.752 23 HA ARG 5 HA ARG 5 23.447 16.481 17.456 24 HB2 ARG 5 HB2 ARG 5 22.834 14.262 16.635 25 HB3 ARG 5 HB1 ARG 5 24.255 14.196 15.574 26 HG2 ARG 5 HG2 ARG 5 25.767 14.335 17.615 27 HG3 ARG 5 HG1 ARG 5 24.303 14.304 18.652 28 HD2 ARG 5 HD2 ARG 5 23.684 12.067 17.779 29 HD3 ARG 5 HD1 ARG 5 25.095 12.072 16.649 30 HE ARG 5 HE ARG 5 25.081 11.733 19.619 31 HH11 ARG 5 HH11 ARG 5 27.229 12.180 16.759 32 HH12 ARG 5 HH12 ARG 5 28.624 11.694 17.678 33 HH21 ARG 5 HH21 ARG 5 26.823 10.597 20.446 34 HH22 ARG 5 HH22 ARG 5 28.393 10.751 19.772 35 H TRP 6 HN TRP 6 25.480 16.442 14.420 36 HA TRP 6 HA TRP 6 27.697 17.004 16.131 37 HB2 TRP 6 HB2 TRP 6 27.514 15.992 13.327 38 HB3 TRP 6 HB1 TRP 6 28.875 17.124 13.740 39 HD1 TRP 6 HD1 TRP 6 28.365 13.447 13.933 40 HE1 TRP 6 HE1 TRP 6 30.214 12.531 15.493 41 HE3 TRP 6 HE3 TRP 6 29.902 17.811 15.975 42 HZ2 TRP 6 HZ2 TRP 6 31.896 13.537 17.524 43 HZ3 TRP 6 HZ3 TRP 6 31.625 17.793 17.685 44 HH2 TRP 6 HH2 TRP 6 32.609 15.677 18.475 45 H ALA 7 HN ALA 7 26.422 18.737 13.176 46 HA ALA 7 HA ALA 7 27.626 21.166 14.250 47 HB1 ALA 7 HB1 ALA 7 26.145 20.606 11.647 48 HB2 ALA 7 HB2 ALA 7 27.927 20.671 11.909 49 HB3 ALA 7 HB3 ALA 7 26.950 22.161 12.148 50 H ARG 8 HN ARG 8 26.061 21.347 16.282 51 HA ARG 8 HA ARG 8 23.424 20.850 15.790 52 HB2 ARG 8 HB2 ARG 8 24.686 22.325 18.173 53 HB3 ARG 8 HB1 ARG 8 23.130 21.465 18.088 54 HG2 ARG 8 HG2 ARG 8 24.235 19.308 17.807 55 HG3 ARG 8 HG1 ARG 8 25.868 20.053 17.766 56 HD2 ARG 8 HD2 ARG 8 23.846 20.515 19.996 57 HD3 ARG 8 HD1 ARG 8 25.072 19.134 20.096 58 HE ARG 8 HE ARG 8 26.388 21.659 19.460 59 HH11 ARG 8 HH11 ARG 8 24.644 20.311 22.262 60 HH12 ARG 8 HH12 ARG 8 25.386 21.466 23.319 61 HH21 ARG 8 HH21 ARG 8 27.080 23.198 20.807 62 HH22 ARG 8 HH22 ARG 8 26.331 23.408 22.322 63 H ASP 9 HN ASP 9 21.643 21.943 15.560 64 HA ASP 9 HA ASP 9 21.944 24.742 14.802 65 HB2 ASP 9 HB2 ASP 9 19.784 22.660 14.267 66 HB3 ASP 9 HB1 ASP 9 19.705 24.385 13.711 67 H HIS 10 HN HIS 10 20.158 26.224 15.284 68 HA HIS 10 HA HIS 10 19.917 26.307 18.107 69 HB2 HIS 10 HB2 HIS 10 18.668 28.341 16.183 70 HB3 HIS 10 HB1 HIS 10 19.003 28.528 17.923 71 HD1 HIS 10 HD1 HIS 10 21.827 27.800 18.355 72 HD2 HIS 10 HD2 HIS 10 20.568 29.737 14.850 73 HE1 HIS 10 HE1 HIS 10 23.726 29.358 17.561 74 H SER 11 HN SER 11 17.534 25.553 15.566 75 HA SER 11 HA SER 11 15.363 25.605 17.374 76 HB2 SER 11 HB2 SER 11 15.451 24.126 14.721 77 HB3 SER 11 HB1 SER 11 14.035 24.709 15.650 78 HG SER 11 HG SER 11 14.515 26.158 14.024 79 H ARG 12 HN ARG 12 15.800 24.186 19.154 80 HA ARG 12 HA ARG 12 16.906 21.552 18.545 81 HB2 ARG 12 HB2 ARG 12 18.037 22.879 20.326 82 HB3 ARG 12 HB1 ARG 12 16.478 22.827 21.227 83 HG2 ARG 12 HG2 ARG 12 16.792 20.271 21.288 84 HG3 ARG 12 HG1 ARG 12 18.379 20.507 20.510 85 HD2 ARG 12 HD2 ARG 12 17.521 21.952 23.089 86 HD3 ARG 12 HD1 ARG 12 18.249 20.313 23.137 87 HE ARG 12 HE ARG 12 19.604 22.863 22.659 88 HH11 ARG 12 HH21 ARG 12 19.996 19.296 22.397 89 HH12 ARG 12 HH22 ARG 12 21.711 19.428 22.614 90 HH21 ARG 12 HH11 ARG 12 21.643 22.875 23.273 91 HH22 ARG 12 HH12 ARG 12 22.511 21.417 23.499 92 H CYS 13 HN CYS 13 14.573 21.237 17.570 93 HA CYS 13 HA CYS 13 12.501 20.869 19.492 94 HB2 CYS 13 HB2 CYS 13 12.168 19.669 16.754 95 HB3 CYS 13 HB1 CYS 13 11.009 20.503 17.815 96 H CYS 14 HN CYS 14 14.806 19.100 19.957 97 HA CYS 14 HA CYS 14 14.502 16.647 18.723 98 HB2 CYS 14 HB2 CYS 14 15.862 17.324 21.380 99 HB3 CYS 14 HB1 CYS 14 16.160 15.874 20.340 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 12.757 18.069 12.498 2 H2 CYS 1 HT2 CYS 1 12.750 19.254 11.296 3 H3 CYS 1 HT3 CYS 1 11.711 19.380 12.626 4 HA CYS 1 HA CYS 1 13.526 20.904 12.850 5 HB2 CYS 1 HB2 CYS 1 12.533 19.537 14.888 6 HB3 CYS 1 HB1 CYS 1 14.009 18.591 14.826 7 H ASN 2 HN ASN 2 15.747 21.375 12.910 8 HA ASN 2 HA ASN 2 17.460 19.347 11.588 9 HB2 ASN 2 HB2 ASN 2 18.960 21.765 12.127 10 HB3 ASN 2 HB1 ASN 2 18.554 20.986 10.615 11 HD21 ASN 2 HD21 ASN 2 17.200 23.362 13.057 12 HD22 ASN 2 HD22 ASN 2 16.284 24.140 11.827 13 H CYS 3 HN CYS 3 16.806 18.237 13.850 14 HA CYS 3 HA CYS 3 18.621 19.020 15.948 15 HB2 CYS 3 HB2 CYS 3 16.341 18.235 16.506 16 HB3 CYS 3 HB1 CYS 3 16.722 16.641 15.836 17 H SER 4 HN SER 4 20.456 18.738 14.263 18 HA SER 4 HA SER 4 21.356 16.087 13.833 19 HB2 SER 4 HB2 SER 4 23.030 18.657 13.791 20 HB3 SER 4 HB1 SER 4 23.342 17.103 12.921 21 HG SER 4 HG SER 4 22.400 18.709 11.574 22 H ARG 5 HN ARG 5 23.206 15.014 14.910 23 HA ARG 5 HA ARG 5 23.448 15.713 17.630 24 HB2 ARG 5 HB2 ARG 5 23.580 13.392 16.910 25 HB3 ARG 5 HB1 ARG 5 24.976 13.715 15.868 26 HG2 ARG 5 HG2 ARG 5 26.317 14.385 17.909 27 HG3 ARG 5 HG1 ARG 5 24.903 13.948 18.928 28 HD2 ARG 5 HD2 ARG 5 25.103 11.564 18.198 29 HD3 ARG 5 HD1 ARG 5 26.463 12.026 17.083 30 HE ARG 5 HE ARG 5 26.959 13.016 19.782 31 HH11 ARG 5 HH21 ARG 5 27.013 9.792 18.200 32 HH12 ARG 5 HH22 ARG 5 28.680 9.546 18.647 33 HH21 ARG 5 HH11 ARG 5 29.104 12.446 20.469 34 HH22 ARG 5 HH12 ARG 5 29.738 10.882 19.993 35 H TRP 6 HN TRP 6 25.609 16.177 14.774 36 HA TRP 6 HA TRP 6 27.470 17.456 16.526 37 HB2 TRP 6 HB2 TRP 6 27.671 16.265 13.715 38 HB3 TRP 6 HB1 TRP 6 28.876 17.458 14.352 39 HD1 TRP 6 HD1 TRP 6 28.013 13.710 14.754 40 HE1 TRP 6 HE1 TRP 6 29.611 12.793 16.545 41 HE3 TRP 6 HE3 TRP 6 29.728 18.114 16.497 42 HZ2 TRP 6 HZ2 TRP 6 31.314 13.882 18.561 43 HZ3 TRP 6 HZ3 TRP 6 31.322 18.132 18.381 44 HH2 TRP 6 HH2 TRP 6 32.090 16.054 19.393 45 H ALA 7 HN ALA 7 26.186 18.704 13.268 46 HA ALA 7 HA ALA 7 27.245 21.198 14.246 47 HB1 ALA 7 HB1 ALA 7 28.013 20.423 12.128 48 HB2 ALA 7 HB2 ALA 7 27.042 21.923 11.942 49 HB3 ALA 7 HB3 ALA 7 26.321 20.320 11.484 50 H ARG 8 HN ARG 8 25.086 20.711 15.750 51 HA ARG 8 HA ARG 8 22.563 21.110 14.555 52 HB2 ARG 8 HB2 ARG 8 21.610 20.856 16.618 53 HB3 ARG 8 HB1 ARG 8 23.121 19.963 16.692 54 HG2 ARG 8 HG2 ARG 8 24.165 22.144 17.787 55 HG3 ARG 8 HG1 ARG 8 22.473 22.751 17.836 56 HD2 ARG 8 HD2 ARG 8 21.878 20.467 18.821 57 HD3 ARG 8 HD1 ARG 8 23.615 20.316 19.364 58 HE ARG 8 HE ARG 8 22.835 22.923 20.165 59 HH11 ARG 8 HH11 ARG 8 21.349 19.728 20.643 60 HH12 ARG 8 HH12 ARG 8 20.575 20.204 22.126 61 HH21 ARG 8 HH21 ARG 8 21.914 23.440 22.201 62 HH22 ARG 8 HH22 ARG 8 21.234 22.185 23.180 63 H ASP 9 HN ASP 9 21.107 22.772 14.906 64 HA ASP 9 HA ASP 9 22.331 25.408 14.685 65 HB2 ASP 9 HB2 ASP 9 20.461 26.091 13.450 66 HB3 ASP 9 HB1 ASP 9 20.927 24.459 12.903 67 H HIS 10 HN HIS 10 19.616 26.629 15.363 68 HA HIS 10 HA HIS 10 20.009 26.868 18.229 69 HB2 HIS 10 HB2 HIS 10 18.078 28.601 17.891 70 HB3 HIS 10 HB1 HIS 10 19.675 28.989 17.186 71 HD1 HIS 10 HD1 HIS 10 16.321 28.294 15.812 72 HD2 HIS 10 HD2 HIS 10 20.241 29.337 14.729 73 HE1 HIS 10 HE1 HIS 10 16.267 29.412 13.471 74 H SER 11 HN SER 11 17.879 25.270 15.908 75 HA SER 11 HA SER 11 15.574 25.427 17.399 76 HB2 SER 11 HB2 SER 11 16.253 23.520 15.132 77 HB3 SER 11 HB1 SER 11 14.603 23.955 15.724 78 HG SER 11 HG SER 11 16.512 25.490 14.355 79 H ARG 12 HN ARG 12 15.471 24.419 19.452 80 HA ARG 12 HA ARG 12 16.452 21.670 19.676 81 HB2 ARG 12 HB2 ARG 12 17.159 23.193 21.450 82 HB3 ARG 12 HB1 ARG 12 15.418 23.455 21.821 83 HG2 ARG 12 HG2 ARG 12 15.255 21.018 22.456 84 HG3 ARG 12 HG1 ARG 12 16.965 20.785 22.001 85 HD2 ARG 12 HD2 ARG 12 17.777 22.149 23.790 86 HD3 ARG 12 HD1 ARG 12 16.162 22.909 24.067 87 HE ARG 12 HE ARG 12 15.318 20.617 24.770 88 HH11 ARG 12 HH21 ARG 12 18.821 20.869 25.007 89 HH12 ARG 12 HH22 ARG 12 18.837 20.318 26.647 90 HH21 ARG 12 HH11 ARG 12 15.418 19.889 26.949 91 HH22 ARG 12 HH12 ARG 12 16.979 19.803 27.722 92 H CYS 13 HN CYS 13 14.578 21.053 18.156 93 HA CYS 13 HA CYS 13 12.014 20.953 19.477 94 HB2 CYS 13 HB2 CYS 13 12.394 19.535 16.847 95 HB3 CYS 13 HB1 CYS 13 11.020 20.488 17.480 96 H CYS 14 HN CYS 14 14.627 19.072 19.959 97 HA CYS 14 HA CYS 14 13.949 16.710 18.727 98 HB2 CYS 14 HB2 CYS 14 15.869 16.776 21.057 99 HB3 CYS 14 HB1 CYS 14 15.946 15.844 19.531 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 11.448 18.404 13.280 2 H2 CYS 1 HT2 CYS 1 12.654 17.597 14.128 3 H3 CYS 1 HT3 CYS 1 12.680 17.608 12.461 4 HA CYS 1 HA CYS 1 13.105 19.971 12.438 5 HB2 CYS 1 HB2 CYS 1 11.812 20.410 14.557 6 HB3 CYS 1 HB1 CYS 1 13.067 19.551 15.465 7 H ASN 2 HN ASN 2 15.317 20.925 13.499 8 HA ASN 2 HA ASN 2 17.199 18.893 12.435 9 HB2 ASN 2 HB2 ASN 2 18.262 21.627 13.101 10 HB3 ASN 2 HB1 ASN 2 18.832 20.376 11.997 11 HD21 ASN 2 HD21 ASN 2 17.931 23.307 11.197 12 HD22 ASN 2 HD22 ASN 2 16.394 23.096 10.446 13 H CYS 3 HN CYS 3 16.403 17.832 14.506 14 HA CYS 3 HA CYS 3 18.280 18.158 16.689 15 HB2 CYS 3 HB2 CYS 3 15.945 17.462 17.184 16 HB3 CYS 3 HB1 CYS 3 16.137 16.045 16.149 17 H SER 4 HN SER 4 19.758 18.077 14.518 18 HA SER 4 HA SER 4 20.578 15.396 13.877 19 HB2 SER 4 HB2 SER 4 22.194 16.619 12.312 20 HB3 SER 4 HB1 SER 4 20.461 16.832 12.029 21 HG SER 4 HG SER 4 21.663 18.735 11.942 22 H ARG 5 HN ARG 5 22.783 14.648 14.183 23 HA ARG 5 HA ARG 5 23.682 15.117 16.725 24 HB2 ARG 5 HB2 ARG 5 23.913 13.038 15.548 25 HB3 ARG 5 HB1 ARG 5 25.000 13.758 14.334 26 HG2 ARG 5 HG2 ARG 5 26.737 14.108 16.069 27 HG3 ARG 5 HG1 ARG 5 25.643 13.457 17.339 28 HD2 ARG 5 HD2 ARG 5 25.616 11.229 16.267 29 HD3 ARG 5 HD1 ARG 5 26.632 11.852 14.894 30 HE ARG 5 HE ARG 5 28.175 12.524 17.053 31 HH11 ARG 5 HH11 ARG 5 26.674 9.427 16.042 32 HH12 ARG 5 HH12 ARG 5 27.730 8.460 16.989 33 HH21 ARG 5 HH21 ARG 5 29.775 11.148 18.068 34 HH22 ARG 5 HH22 ARG 5 29.573 9.429 17.954 35 H TRP 6 HN TRP 6 24.919 16.529 13.688 36 HA TRP 6 HA TRP 6 26.671 18.256 15.212 37 HB2 TRP 6 HB2 TRP 6 26.578 17.303 12.425 38 HB3 TRP 6 HB1 TRP 6 26.776 19.069 12.544 39 HD1 TRP 6 HD1 TRP 6 29.072 16.110 12.712 40 HE1 TRP 6 HE1 TRP 6 31.358 17.064 13.410 41 HE3 TRP 6 HE3 TRP 6 27.525 20.620 14.365 42 HZ2 TRP 6 HZ2 TRP 6 32.336 19.433 14.626 43 HZ3 TRP 6 HZ3 TRP 6 29.152 22.200 15.273 44 HH2 TRP 6 HH2 TRP 6 31.532 21.614 15.418 45 H ALA 7 HN ALA 7 24.027 18.671 16.040 46 HA ALA 7 HA ALA 7 23.139 21.049 14.636 47 HB1 ALA 7 HB1 ALA 7 21.450 19.510 15.323 48 HB2 ALA 7 HB2 ALA 7 21.270 21.077 16.178 49 HB3 ALA 7 HB3 ALA 7 21.964 19.637 17.051 50 H ARG 8 HN ARG 8 24.673 22.582 14.925 51 HA ARG 8 HA ARG 8 25.542 23.363 17.589 52 HB2 ARG 8 HB2 ARG 8 26.952 24.965 16.563 53 HB3 ARG 8 HB1 ARG 8 27.146 23.282 15.950 54 HG2 ARG 8 HG2 ARG 8 26.194 23.780 13.821 55 HG3 ARG 8 HG1 ARG 8 25.669 25.418 14.305 56 HD2 ARG 8 HD2 ARG 8 28.550 24.540 14.688 57 HD3 ARG 8 HD1 ARG 8 28.021 24.978 12.983 58 HE ARG 8 HE ARG 8 27.067 27.111 14.429 59 HH11 ARG 8 HH21 ARG 8 30.356 25.694 14.266 60 HH12 ARG 8 HH22 ARG 8 31.129 27.209 14.545 61 HH21 ARG 8 HH11 ARG 8 28.160 29.142 14.507 62 HH22 ARG 8 HH12 ARG 8 29.856 29.165 14.396 63 H ASP 9 HN ASP 9 23.534 24.353 15.001 64 HA ASP 9 HA ASP 9 22.700 26.865 15.945 65 HB2 ASP 9 HB2 ASP 9 21.479 24.875 13.946 66 HB3 ASP 9 HB1 ASP 9 20.799 26.530 14.179 67 H HIS 10 HN HIS 10 20.331 27.437 16.132 68 HA HIS 10 HA HIS 10 19.654 26.305 18.668 69 HB2 HIS 10 HB2 HIS 10 17.901 27.884 18.958 70 HB3 HIS 10 HB1 HIS 10 19.351 28.758 18.473 71 HD1 HIS 10 HD1 HIS 10 16.487 29.792 18.281 72 HD2 HIS 10 HD2 HIS 10 18.776 28.416 15.048 73 HE1 HIS 10 HE1 HIS 10 15.868 31.182 16.183 74 H SER 11 HN SER 11 18.251 25.864 15.439 75 HA SER 11 HA SER 11 15.790 24.893 16.383 76 HB2 SER 11 HB2 SER 11 17.215 24.513 13.699 77 HB3 SER 11 HB1 SER 11 15.512 24.039 14.025 78 HG SER 11 HG SER 11 14.915 26.026 14.172 79 H ARG 12 HN ARG 12 17.358 23.549 17.934 80 HA ARG 12 HA ARG 12 17.727 20.854 16.824 81 HB2 ARG 12 HB2 ARG 12 19.629 21.816 18.097 82 HB3 ARG 12 HB1 ARG 12 18.550 21.861 19.537 83 HG2 ARG 12 HG2 ARG 12 18.427 19.306 19.336 84 HG3 ARG 12 HG1 ARG 12 19.506 19.420 17.902 85 HD2 ARG 12 HD2 ARG 12 21.328 20.333 19.331 86 HD3 ARG 12 HD1 ARG 12 20.242 20.364 20.768 87 HE ARG 12 HE ARG 12 21.299 17.886 19.380 88 HH11 ARG 12 HH21 ARG 12 18.997 19.069 21.887 89 HH12 ARG 12 HH22 ARG 12 18.829 17.455 22.504 90 HH21 ARG 12 HH11 ARG 12 21.119 15.981 20.330 91 HH22 ARG 12 HH12 ARG 12 20.218 15.778 21.811 92 H CYS 13 HN CYS 13 15.157 21.273 16.807 93 HA CYS 13 HA CYS 13 13.917 20.985 19.299 94 HB2 CYS 13 HB2 CYS 13 12.173 20.303 16.976 95 HB3 CYS 13 HB1 CYS 13 11.866 21.263 18.444 96 H CYS 14 HN CYS 14 14.680 19.043 20.266 97 HA CYS 14 HA CYS 14 14.071 16.548 18.888 98 HB2 CYS 14 HB2 CYS 14 15.312 16.858 21.638 99 HB3 CYS 14 HB1 CYS 14 15.326 15.439 20.521 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 13.058 17.335 14.288 2 H2 CYS 1 HT2 CYS 1 13.076 17.106 12.615 3 H3 CYS 1 HT3 CYS 1 11.761 17.842 13.345 4 HA CYS 1 HA CYS 1 12.868 19.565 12.384 5 HB2 CYS 1 HB2 CYS 1 12.364 19.520 15.047 6 HB3 CYS 1 HB1 CYS 1 14.102 19.680 15.204 7 H ASN 2 HN ASN 2 15.213 20.873 13.248 8 HA ASN 2 HA ASN 2 17.214 19.131 11.883 9 HB2 ASN 2 HB2 ASN 2 18.005 21.968 12.679 10 HB3 ASN 2 HB1 ASN 2 18.820 20.741 11.757 11 HD21 ASN 2 HD21 ASN 2 15.829 22.907 11.525 12 HD22 ASN 2 HD22 ASN 2 16.043 22.923 9.824 13 H CYS 3 HN CYS 3 16.545 17.827 14.011 14 HA CYS 3 HA CYS 3 18.635 18.209 15.991 15 HB2 CYS 3 HB2 CYS 3 16.315 17.789 16.731 16 HB3 CYS 3 HB1 CYS 3 16.379 16.188 15.962 17 H SER 4 HN SER 4 20.054 17.656 13.809 18 HA SER 4 HA SER 4 20.703 14.825 13.888 19 HB2 SER 4 HB2 SER 4 22.201 17.101 12.506 20 HB3 SER 4 HB1 SER 4 22.533 15.346 12.349 21 HG SER 4 HG SER 4 21.305 15.891 10.674 22 H ARG 5 HN ARG 5 23.096 14.312 14.543 23 HA ARG 5 HA ARG 5 23.540 15.298 17.090 24 HB2 ARG 5 HB2 ARG 5 25.322 13.695 15.223 25 HB3 ARG 5 HB1 ARG 5 25.917 14.258 16.788 26 HG2 ARG 5 HG2 ARG 5 24.333 13.029 18.071 27 HG3 ARG 5 HG1 ARG 5 23.342 12.615 16.643 28 HD2 ARG 5 HD2 ARG 5 25.096 11.122 15.793 29 HD3 ARG 5 HD1 ARG 5 26.239 11.627 17.099 30 HE ARG 5 HE ARG 5 23.600 10.159 17.480 31 HH11 ARG 5 HH11 ARG 5 26.797 11.041 18.949 32 HH12 ARG 5 HH12 ARG 5 26.404 10.183 20.390 33 HH21 ARG 5 HH21 ARG 5 23.098 9.445 19.558 34 HH22 ARG 5 HH22 ARG 5 24.299 9.485 20.789 35 H TRP 6 HN TRP 6 25.299 16.242 14.098 36 HA TRP 6 HA TRP 6 26.478 18.408 15.546 37 HB2 TRP 6 HB2 TRP 6 26.801 17.328 12.755 38 HB3 TRP 6 HB1 TRP 6 27.045 19.087 12.994 39 HD1 TRP 6 HD1 TRP 6 29.291 16.129 13.381 40 HE1 TRP 6 HE1 TRP 6 31.336 16.940 14.729 41 HE3 TRP 6 HE3 TRP 6 27.421 20.527 15.032 42 HZ2 TRP 6 HZ2 TRP 6 32.094 19.259 16.151 43 HZ3 TRP 6 HZ3 TRP 6 28.861 22.034 16.312 44 HH2 TRP 6 HH2 TRP 6 31.155 21.402 16.891 45 H ALA 7 HN ALA 7 23.822 18.608 16.032 46 HA ALA 7 HA ALA 7 22.957 20.932 14.548 47 HB1 ALA 7 HB1 ALA 7 21.149 21.044 16.239 48 HB2 ALA 7 HB2 ALA 7 21.866 19.596 17.075 49 HB3 ALA 7 HB3 ALA 7 21.232 19.469 15.379 50 H ARG 8 HN ARG 8 24.529 22.511 14.780 51 HA ARG 8 HA ARG 8 25.344 23.335 17.450 52 HB2 ARG 8 HB2 ARG 8 26.873 24.673 16.426 53 HB3 ARG 8 HB1 ARG 8 26.811 23.175 15.444 54 HG2 ARG 8 HG2 ARG 8 25.564 24.325 13.631 55 HG3 ARG 8 HG1 ARG 8 25.468 25.825 14.641 56 HD2 ARG 8 HD2 ARG 8 28.009 25.583 14.890 57 HD3 ARG 8 HD1 ARG 8 27.986 24.454 13.482 58 HE ARG 8 HE ARG 8 27.158 26.229 12.028 59 HH11 ARG 8 HH11 ARG 8 27.077 27.586 15.335 60 HH12 ARG 8 HH12 ARG 8 27.547 29.157 14.799 61 HH21 ARG 8 HH21 ARG 8 28.020 28.369 11.456 62 HH22 ARG 8 HH22 ARG 8 27.920 29.600 12.686 63 H ASP 9 HN ASP 9 23.196 24.116 14.883 64 HA ASP 9 HA ASP 9 22.527 26.727 15.616 65 HB2 ASP 9 HB2 ASP 9 21.023 24.633 13.942 66 HB3 ASP 9 HB1 ASP 9 20.484 26.351 14.051 67 H HIS 10 HN HIS 10 20.412 27.574 16.122 68 HA HIS 10 HA HIS 10 19.733 26.723 18.675 69 HB2 HIS 10 HB2 HIS 10 18.045 28.716 17.113 70 HB3 HIS 10 HB1 HIS 10 18.317 28.570 18.883 71 HD1 HIS 10 HD1 HIS 10 18.750 31.221 17.660 72 HD2 HIS 10 HD2 HIS 10 21.834 28.444 18.239 73 HE1 HIS 10 HE1 HIS 10 20.965 32.515 18.016 74 H SER 11 HN SER 11 18.386 25.785 15.650 75 HA SER 11 HA SER 11 15.857 24.940 16.544 76 HB2 SER 11 HB2 SER 11 15.924 23.716 14.268 77 HB3 SER 11 HB1 SER 11 16.089 25.489 14.260 78 HG SER 11 HG SER 11 18.255 23.659 14.119 79 H ARG 12 HN ARG 12 17.243 23.935 18.449 80 HA ARG 12 HA ARG 12 17.806 21.106 17.888 81 HB2 ARG 12 HB2 ARG 12 19.387 22.247 19.424 82 HB3 ARG 12 HB1 ARG 12 17.987 22.538 20.520 83 HG2 ARG 12 HG2 ARG 12 17.767 20.007 20.730 84 HG3 ARG 12 HG1 ARG 12 19.186 19.832 19.649 85 HD2 ARG 12 HD2 ARG 12 20.623 20.947 21.377 86 HD3 ARG 12 HD1 ARG 12 19.158 21.273 22.379 87 HE ARG 12 HE ARG 12 18.806 18.835 22.628 88 HH11 ARG 12 HH11 ARG 12 22.085 19.478 21.326 89 HH12 ARG 12 HH12 ARG 12 22.745 18.162 22.236 90 HH21 ARG 12 HH21 ARG 12 19.691 17.278 23.749 91 HH22 ARG 12 HH22 ARG 12 21.425 17.050 23.836 92 H CYS 13 HN CYS 13 15.387 21.194 17.210 93 HA CYS 13 HA CYS 13 13.569 21.387 19.358 94 HB2 CYS 13 HB2 CYS 13 12.482 20.459 16.743 95 HB3 CYS 13 HB1 CYS 13 11.907 21.760 17.844 96 H CYS 14 HN CYS 14 14.985 19.199 20.157 97 HA CYS 14 HA CYS 14 14.272 16.880 18.653 98 HB2 CYS 14 HB2 CYS 14 15.800 16.888 21.272 99 HB3 CYS 14 HB1 CYS 14 15.808 15.667 19.954 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 11.581 15.481 12.476 2 H2 CYS 1 HT2 CYS 1 10.437 16.114 13.524 3 H3 CYS 1 HT3 CYS 1 11.778 15.345 14.140 4 HA CYS 1 HA CYS 1 11.847 17.759 12.401 5 HB2 CYS 1 HB2 CYS 1 10.625 18.102 14.598 6 HB3 CYS 1 HB1 CYS 1 12.148 17.817 15.437 7 H ASN 2 HN ASN 2 13.751 18.824 12.109 8 HA ASN 2 HA ASN 2 15.808 16.691 11.839 9 HB2 ASN 2 HB2 ASN 2 16.281 19.290 10.359 10 HB3 ASN 2 HB1 ASN 2 16.773 17.655 10.063 11 HD21 ASN 2 HD21 ASN 2 13.802 19.797 9.867 12 HD22 ASN 2 HD22 ASN 2 13.167 18.795 8.610 13 H CYS 3 HN CYS 3 15.924 17.122 14.278 14 HA CYS 3 HA CYS 3 17.839 19.216 14.944 15 HB2 CYS 3 HB2 CYS 3 16.106 18.826 16.594 16 HB3 CYS 3 HB1 CYS 3 16.479 17.109 16.646 17 H SER 4 HN SER 4 19.568 18.414 13.396 18 HA SER 4 HA SER 4 20.945 16.067 14.389 19 HB2 SER 4 HB2 SER 4 21.785 17.977 12.182 20 HB3 SER 4 HB1 SER 4 22.538 16.401 12.606 21 HG SER 4 HG SER 4 20.469 15.449 12.145 22 H ARG 5 HN ARG 5 22.094 16.229 16.143 23 HA ARG 5 HA ARG 5 22.618 18.661 17.384 24 HB2 ARG 5 HB2 ARG 5 22.036 16.625 18.545 25 HB3 ARG 5 HB1 ARG 5 23.532 15.825 17.967 26 HG2 ARG 5 HG2 ARG 5 24.920 17.246 19.359 27 HG3 ARG 5 HG1 ARG 5 23.548 18.310 19.796 28 HD2 ARG 5 HD2 ARG 5 23.634 15.300 20.536 29 HD3 ARG 5 HD1 ARG 5 24.292 16.631 21.563 30 HE ARG 5 HE ARG 5 22.144 17.521 21.893 31 HH11 ARG 5 HH11 ARG 5 21.820 14.497 19.946 32 HH12 ARG 5 HH12 ARG 5 20.088 14.528 20.087 33 HH21 ARG 5 HH21 ARG 5 19.917 17.348 22.158 34 HH22 ARG 5 HH22 ARG 5 19.009 16.056 21.440 35 H TRP 6 HN TRP 6 24.751 16.553 15.480 36 HA TRP 6 HA TRP 6 27.132 17.496 16.382 37 HB2 TRP 6 HB2 TRP 6 26.221 16.085 13.829 38 HB3 TRP 6 HB1 TRP 6 27.857 16.767 13.889 39 HD1 TRP 6 HD1 TRP 6 26.116 13.687 15.462 40 HE1 TRP 6 HE1 TRP 6 27.803 12.710 17.150 41 HE3 TRP 6 HE3 TRP 6 29.571 17.348 15.379 42 HZ2 TRP 6 HZ2 TRP 6 30.450 13.210 17.983 43 HZ3 TRP 6 HZ3 TRP 6 31.672 17.065 16.653 44 HH2 TRP 6 HH2 TRP 6 32.084 15.034 17.941 45 H ALA 7 HN ALA 7 25.084 19.308 14.152 46 HA ALA 7 HA ALA 7 27.426 20.666 13.126 47 HB1 ALA 7 HB1 ALA 7 25.750 20.020 11.550 48 HB2 ALA 7 HB2 ALA 7 25.805 21.803 11.648 49 HB3 ALA 7 HB3 ALA 7 24.451 20.894 12.457 50 H ARG 8 HN ARG 8 24.786 22.807 13.274 51 HA ARG 8 HA ARG 8 25.985 24.383 15.329 52 HB2 ARG 8 HB2 ARG 8 23.363 24.759 13.702 53 HB3 ARG 8 HB1 ARG 8 24.272 25.957 14.631 54 HG2 ARG 8 HG2 ARG 8 26.182 25.799 13.053 55 HG3 ARG 8 HG1 ARG 8 25.310 24.592 12.055 56 HD2 ARG 8 HD2 ARG 8 24.040 27.227 12.882 57 HD3 ARG 8 HD1 ARG 8 25.219 27.206 11.468 58 HE ARG 8 HE ARG 8 23.164 25.119 11.236 59 HH11 ARG 8 HH21 ARG 8 23.579 28.669 10.747 60 HH12 ARG 8 HH22 ARG 8 22.267 28.739 9.620 61 HH21 ARG 8 HH11 ARG 8 21.546 25.282 9.712 62 HH22 ARG 8 HH12 ARG 8 21.038 26.827 9.083 63 H ASP 9 HN ASP 9 24.598 25.411 16.931 64 HA ASP 9 HA ASP 9 23.555 23.298 18.587 65 HB2 ASP 9 HB2 ASP 9 23.794 26.332 19.093 66 HB3 ASP 9 HB1 ASP 9 23.216 25.140 20.308 67 H HIS 10 HN HIS 10 22.277 26.167 17.056 68 HA HIS 10 HA HIS 10 20.242 26.856 18.421 69 HB2 HIS 10 HB2 HIS 10 20.004 26.623 15.376 70 HB3 HIS 10 HB1 HIS 10 19.134 27.802 16.425 71 HD1 HIS 10 HD1 HIS 10 21.152 29.216 18.011 72 HD2 HIS 10 HD2 HIS 10 21.977 27.903 14.099 73 HE1 HIS 10 HE1 HIS 10 22.940 30.759 16.989 74 H SER 11 HN SER 11 18.816 25.805 19.536 75 HA SER 11 HA SER 11 17.944 23.344 19.213 76 HB2 SER 11 HB2 SER 11 16.501 25.635 20.567 77 HB3 SER 11 HB1 SER 11 16.123 23.890 20.820 78 HG SER 11 HG SER 11 17.851 25.273 22.086 79 H ARG 12 HN ARG 12 17.040 22.670 17.219 80 HA ARG 12 HA ARG 12 14.493 23.751 16.417 81 HB2 ARG 12 HB2 ARG 12 15.689 21.161 15.302 82 HB3 ARG 12 HB1 ARG 12 14.545 22.275 14.540 83 HG2 ARG 12 HG2 ARG 12 16.283 23.911 14.042 84 HG3 ARG 12 HG1 ARG 12 17.414 23.123 15.154 85 HD2 ARG 12 HD2 ARG 12 17.636 21.171 13.783 86 HD3 ARG 12 HD1 ARG 12 16.317 21.725 12.655 87 HE ARG 12 HE ARG 12 18.290 23.824 12.844 88 HH11 ARG 12 HH11 ARG 12 18.346 20.439 11.737 89 HH12 ARG 12 HH12 ARG 12 19.374 20.799 10.389 90 HH21 ARG 12 HH21 ARG 12 19.361 24.289 10.933 91 HH22 ARG 12 HH22 ARG 12 20.145 23.012 10.045 92 H CYS 13 HN CYS 13 12.853 21.225 16.087 93 HA CYS 13 HA CYS 13 12.102 21.052 18.651 94 HB2 CYS 13 HB2 CYS 13 11.153 18.924 16.768 95 HB3 CYS 13 HB1 CYS 13 10.243 20.045 17.843 96 H CYS 14 HN CYS 14 14.384 20.297 19.474 97 HA CYS 14 HA CYS 14 15.191 17.658 18.816 98 HB2 CYS 14 HB2 CYS 14 16.183 19.422 21.107 99 HB3 CYS 14 HB1 CYS 14 17.001 17.992 20.362 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 11.563 18.187 12.852 2 H2 CYS 1 HT2 CYS 1 12.535 17.524 14.059 3 H3 CYS 1 HT3 CYS 1 12.910 17.286 12.458 4 HA CYS 1 HA CYS 1 13.083 19.828 12.317 5 HB2 CYS 1 HB2 CYS 1 12.008 20.132 14.546 6 HB3 CYS 1 HB1 CYS 1 13.319 19.254 15.326 7 H ASN 2 HN ASN 2 15.495 20.662 13.354 8 HA ASN 2 HA ASN 2 17.183 18.657 11.905 9 HB2 ASN 2 HB2 ASN 2 18.963 20.325 11.868 10 HB3 ASN 2 HB1 ASN 2 17.625 20.615 10.790 11 HD21 ASN 2 HD22 ASN 2 19.238 21.551 13.759 12 HD22 ASN 2 HD21 ASN 2 18.610 23.173 13.817 13 H CYS 3 HN CYS 3 16.530 17.479 14.052 14 HA CYS 3 HA CYS 3 18.414 18.041 16.197 15 HB2 CYS 3 HB2 CYS 3 16.116 17.474 16.819 16 HB3 CYS 3 HB1 CYS 3 16.219 15.925 15.963 17 H SER 4 HN SER 4 19.952 17.695 14.170 18 HA SER 4 HA SER 4 20.726 14.912 13.967 19 HB2 SER 4 HB2 SER 4 22.143 17.206 12.567 20 HB3 SER 4 HB1 SER 4 22.049 15.480 12.110 21 HG SER 4 HG SER 4 19.707 15.886 11.996 22 H ARG 5 HN ARG 5 23.233 14.551 14.105 23 HA ARG 5 HA ARG 5 23.855 15.026 16.802 24 HB2 ARG 5 HB2 ARG 5 25.459 13.834 14.500 25 HB3 ARG 5 HB1 ARG 5 26.153 14.027 16.111 26 HG2 ARG 5 HG2 ARG 5 24.697 12.531 17.167 27 HG3 ARG 5 HG1 ARG 5 23.479 12.533 15.872 28 HD2 ARG 5 HD2 ARG 5 24.859 11.237 14.361 29 HD3 ARG 5 HD1 ARG 5 26.323 11.486 15.409 30 HE ARG 5 HE ARG 5 24.177 10.239 16.963 31 HH11 ARG 5 HH11 ARG 5 26.696 9.500 14.562 32 HH12 ARG 5 HH12 ARG 5 27.131 8.013 15.343 33 HH21 ARG 5 HH21 ARG 5 24.708 8.349 17.904 34 HH22 ARG 5 HH22 ARG 5 25.824 7.222 17.157 35 H TRP 6 HN TRP 6 25.195 16.502 13.816 36 HA TRP 6 HA TRP 6 26.503 18.471 15.485 37 HB2 TRP 6 HB2 TRP 6 26.675 17.728 12.580 38 HB3 TRP 6 HB1 TRP 6 26.845 19.462 12.967 39 HD1 TRP 6 HD1 TRP 6 29.266 16.722 12.773 40 HE1 TRP 6 HE1 TRP 6 31.417 17.605 13.892 41 HE3 TRP 6 HE3 TRP 6 27.281 20.693 15.163 42 HZ2 TRP 6 HZ2 TRP 6 32.160 19.811 15.508 43 HZ3 TRP 6 HZ3 TRP 6 28.772 22.232 16.382 44 HH2 TRP 6 HH2 TRP 6 31.170 21.798 16.539 45 H ALA 7 HN ALA 7 23.794 18.586 16.159 46 HA ALA 7 HA ALA 7 22.753 20.825 14.677 47 HB1 ALA 7 HB1 ALA 7 21.172 19.264 15.608 48 HB2 ALA 7 HB2 ALA 7 20.964 20.896 16.338 49 HB3 ALA 7 HB3 ALA 7 21.783 19.567 17.278 50 H ARG 8 HN ARG 8 24.509 22.289 14.781 51 HA ARG 8 HA ARG 8 25.388 23.161 17.387 52 HB2 ARG 8 HB2 ARG 8 27.143 24.148 16.412 53 HB3 ARG 8 HB1 ARG 8 26.754 22.780 15.327 54 HG2 ARG 8 HG2 ARG 8 25.793 24.262 13.655 55 HG3 ARG 8 HG1 ARG 8 25.976 25.709 14.699 56 HD2 ARG 8 HD2 ARG 8 28.275 23.818 14.133 57 HD3 ARG 8 HD1 ARG 8 27.928 25.218 12.968 58 HE ARG 8 HE ARG 8 28.051 26.189 15.695 59 HH11 ARG 8 HH11 ARG 8 30.230 25.050 13.117 60 HH12 ARG 8 HH12 ARG 8 31.657 25.557 13.919 61 HH21 ARG 8 HH21 ARG 8 29.985 26.955 16.710 62 HH22 ARG 8 HH22 ARG 8 31.521 26.668 15.956 63 H ASP 9 HN ASP 9 23.314 24.211 14.831 64 HA ASP 9 HA ASP 9 22.851 26.839 15.722 65 HB2 ASP 9 HB2 ASP 9 21.077 26.930 14.030 66 HB3 ASP 9 HB1 ASP 9 22.514 26.089 13.371 67 H HIS 10 HN HIS 10 20.363 27.475 16.015 68 HA HIS 10 HA HIS 10 20.039 26.420 18.714 69 HB2 HIS 10 HB2 HIS 10 18.642 28.898 17.615 70 HB3 HIS 10 HB1 HIS 10 18.917 28.401 19.307 71 HD1 HIS 10 HD1 HIS 10 19.915 31.084 18.329 72 HD2 HIS 10 HD2 HIS 10 22.294 27.654 18.708 73 HE1 HIS 10 HE1 HIS 10 22.337 31.824 18.866 74 H SER 11 HN SER 11 18.613 25.749 15.773 75 HA SER 11 HA SER 11 15.913 25.527 16.733 76 HB2 SER 11 HB2 SER 11 16.480 26.191 14.385 77 HB3 SER 11 HB1 SER 11 17.047 24.527 14.090 78 HG SER 11 HG SER 11 15.038 23.809 14.296 79 H ARG 12 HN ARG 12 16.857 24.153 18.533 80 HA ARG 12 HA ARG 12 17.464 21.417 17.681 81 HB2 ARG 12 HB2 ARG 12 19.030 22.493 19.275 82 HB3 ARG 12 HB1 ARG 12 17.662 22.540 20.458 83 HG2 ARG 12 HG2 ARG 12 17.668 19.983 20.350 84 HG3 ARG 12 HG1 ARG 12 18.902 20.101 19.051 85 HD2 ARG 12 HD2 ARG 12 20.354 21.336 20.911 86 HD3 ARG 12 HD1 ARG 12 19.154 20.639 22.067 87 HE ARG 12 HE ARG 12 19.713 18.366 21.231 88 HH11 ARG 12 HH11 ARG 12 22.180 20.804 20.436 89 HH12 ARG 12 HH12 ARG 12 23.079 19.678 19.452 90 HH21 ARG 12 HH21 ARG 12 21.140 16.902 19.970 91 HH22 ARG 12 HH22 ARG 12 22.541 17.633 19.244 92 H CYS 13 HN CYS 13 15.013 21.393 17.087 93 HA CYS 13 HA CYS 13 13.295 21.146 19.314 94 HB2 CYS 13 HB2 CYS 13 12.163 20.193 16.722 95 HB3 CYS 13 HB1 CYS 13 11.484 21.240 18.004 96 H CYS 14 HN CYS 14 14.749 19.253 20.233 97 HA CYS 14 HA CYS 14 14.537 16.811 18.727 98 HB2 CYS 14 HB2 CYS 14 15.893 17.338 21.407 99 HB3 CYS 14 HB1 CYS 14 15.944 15.813 20.435 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 11.198 14.941 14.905 2 H2 CYS 1 HT2 CYS 1 10.806 16.188 15.990 3 H3 CYS 1 HT3 CYS 1 12.291 15.393 16.109 4 HA CYS 1 HA CYS 1 11.494 16.952 13.746 5 HB2 CYS 1 HB2 CYS 1 11.682 18.381 15.768 6 HB3 CYS 1 HB1 CYS 1 13.269 17.729 16.128 7 H ASN 2 HN ASN 2 13.276 17.361 12.327 8 HA ASN 2 HA ASN 2 15.217 15.095 12.265 9 HB2 ASN 2 HB2 ASN 2 15.468 17.243 10.136 10 HB3 ASN 2 HB1 ASN 2 16.046 15.600 10.237 11 HD21 ASN 2 HD21 ASN 2 12.793 17.359 10.184 12 HD22 ASN 2 HD22 ASN 2 12.271 16.299 8.921 13 H CYS 3 HN CYS 3 15.874 15.894 14.453 14 HA CYS 3 HA CYS 3 17.742 18.110 14.459 15 HB2 CYS 3 HB2 CYS 3 16.563 17.820 16.540 16 HB3 CYS 3 HB1 CYS 3 16.971 16.117 16.604 17 H SER 4 HN SER 4 19.111 17.348 12.614 18 HA SER 4 HA SER 4 20.774 15.108 13.112 19 HB2 SER 4 HB2 SER 4 21.313 17.523 11.301 20 HB3 SER 4 HB1 SER 4 22.177 15.946 11.282 21 HG SER 4 HG SER 4 20.455 16.249 9.719 22 H ARG 5 HN ARG 5 22.923 15.121 13.858 23 HA ARG 5 HA ARG 5 22.782 16.460 16.208 24 HB2 ARG 5 HB2 ARG 5 23.585 14.183 15.988 25 HB3 ARG 5 HB1 ARG 5 24.979 14.718 15.016 26 HG2 ARG 5 HG2 ARG 5 25.671 14.069 17.168 27 HG3 ARG 5 HG1 ARG 5 25.955 15.816 17.045 28 HD2 ARG 5 HD2 ARG 5 24.274 16.331 18.682 29 HD3 ARG 5 HD1 ARG 5 23.408 14.741 18.416 30 HE ARG 5 HE ARG 5 26.041 14.087 19.207 31 HH11 ARG 5 HH11 ARG 5 23.544 16.135 20.767 32 HH12 ARG 5 HH12 ARG 5 24.168 15.825 22.350 33 HH21 ARG 5 HH21 ARG 5 26.369 13.271 21.284 34 HH22 ARG 5 HH22 ARG 5 25.645 14.081 22.655 35 H TRP 6 HN TRP 6 25.226 17.202 13.655 36 HA TRP 6 HA TRP 6 26.850 18.689 15.116 37 HB2 TRP 6 HB2 TRP 6 26.069 18.809 12.188 38 HB3 TRP 6 HB1 TRP 6 27.010 20.175 12.872 39 HD1 TRP 6 HD1 TRP 6 28.020 16.905 11.390 40 HE1 TRP 6 HE1 TRP 6 30.487 16.496 12.114 41 HE3 TRP 6 HE3 TRP 6 28.455 20.565 14.846 42 HZ2 TRP 6 HZ2 TRP 6 32.267 17.498 14.019 43 HZ3 TRP 6 HZ3 TRP 6 30.549 20.827 16.065 44 HH2 TRP 6 HH2 TRP 6 32.424 19.296 15.695 45 H ALA 7 HN ALA 7 23.773 20.080 13.901 46 HA ALA 7 HA ALA 7 24.437 22.605 14.987 47 HB1 ALA 7 HB1 ALA 7 22.838 22.364 13.183 48 HB2 ALA 7 HB2 ALA 7 22.111 23.197 14.606 49 HB3 ALA 7 HB3 ALA 7 21.702 21.458 14.268 50 H ARG 8 HN ARG 8 25.202 22.180 17.060 51 HA ARG 8 HA ARG 8 23.630 20.993 19.098 52 HB2 ARG 8 HB2 ARG 8 25.479 21.124 20.406 53 HB3 ARG 8 HB1 ARG 8 26.118 21.103 18.729 54 HG2 ARG 8 HG2 ARG 8 26.510 23.517 18.797 55 HG3 ARG 8 HG1 ARG 8 25.895 23.650 20.479 56 HD2 ARG 8 HD2 ARG 8 27.928 21.563 19.705 57 HD3 ARG 8 HD1 ARG 8 28.555 23.250 20.096 58 HE ARG 8 HE ARG 8 27.182 22.905 22.328 59 HH11 ARG 8 HH21 ARG 8 29.237 20.372 20.941 60 HH12 ARG 8 HH22 ARG 8 28.970 19.312 22.278 61 HH21 ARG 8 HH11 ARG 8 26.514 21.313 23.764 62 HH22 ARG 8 HH12 ARG 8 27.304 19.764 23.783 63 H ASP 9 HN ASP 9 23.951 24.034 17.708 64 HA ASP 9 HA ASP 9 23.047 25.705 19.805 65 HB2 ASP 9 HB2 ASP 9 22.990 27.471 18.090 66 HB3 ASP 9 HB1 ASP 9 24.463 26.464 17.926 67 H HIS 10 HN HIS 10 21.125 27.242 19.280 68 HA HIS 10 HA HIS 10 18.887 25.471 19.598 69 HB2 HIS 10 HB2 HIS 10 18.705 28.513 19.714 70 HB3 HIS 10 HB1 HIS 10 17.574 27.249 20.298 71 HD1 HIS 10 HD1 HIS 10 18.290 29.204 22.347 72 HD2 HIS 10 HD2 HIS 10 20.472 25.667 21.764 73 HE1 HIS 10 HE1 HIS 10 19.275 28.465 24.620 74 H SER 11 HN SER 11 19.947 25.901 16.776 75 HA SER 11 HA SER 11 17.761 27.126 15.418 76 HB2 SER 11 HB2 SER 11 19.932 27.009 14.357 77 HB3 SER 11 HB1 SER 11 19.881 25.214 14.343 78 HG SER 11 HG SER 11 19.201 26.024 12.347 79 H ARG 12 HN ARG 12 18.692 23.734 15.751 80 HA ARG 12 HA ARG 12 16.193 23.038 14.405 81 HB2 ARG 12 HB2 ARG 12 18.471 21.904 13.737 82 HB3 ARG 12 HB1 ARG 12 18.124 20.899 15.164 83 HG2 ARG 12 HG2 ARG 12 17.186 19.773 13.194 84 HG3 ARG 12 HG1 ARG 12 15.757 20.642 13.833 85 HD2 ARG 12 HD2 ARG 12 16.613 22.595 12.292 86 HD3 ARG 12 HD1 ARG 12 17.674 21.374 11.510 87 HE ARG 12 HE ARG 12 15.770 20.308 10.538 88 HH11 ARG 12 HH21 ARG 12 14.534 23.056 12.445 89 HH12 ARG 12 HH22 ARG 12 12.902 22.590 12.184 90 HH21 ARG 12 HH11 ARG 12 13.769 20.185 9.809 91 HH22 ARG 12 HH12 ARG 12 12.412 20.950 10.609 92 H CYS 13 HN CYS 13 14.845 21.100 15.445 93 HA CYS 13 HA CYS 13 14.060 22.314 17.777 94 HB2 CYS 13 HB2 CYS 13 12.788 19.687 17.048 95 HB3 CYS 13 HB1 CYS 13 12.059 21.236 17.547 96 H CYS 14 HN CYS 14 16.573 21.051 18.439 97 HA CYS 14 HA CYS 14 16.179 18.407 19.222 98 HB2 CYS 14 HB2 CYS 14 18.477 20.237 20.012 99 HB3 CYS 14 HB1 CYS 14 18.489 18.439 19.888 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 11.783 16.044 15.451 2 H2 CYS 1 HT2 CYS 1 11.721 15.261 13.985 3 H3 CYS 1 HT3 CYS 1 10.455 16.280 14.443 4 HA CYS 1 HA CYS 1 11.604 17.553 12.937 5 HB2 CYS 1 HB2 CYS 1 10.975 18.592 15.151 6 HB3 CYS 1 HB1 CYS 1 12.577 18.184 15.771 7 H ASN 2 HN ASN 2 13.670 18.688 12.330 8 HA ASN 2 HA ASN 2 15.436 16.387 11.698 9 HB2 ASN 2 HB2 ASN 2 15.996 19.078 10.390 10 HB3 ASN 2 HB1 ASN 2 16.668 17.490 10.147 11 HD21 ASN 2 HD21 ASN 2 13.387 19.137 9.949 12 HD22 ASN 2 HD22 ASN 2 13.021 18.201 8.524 13 H CYS 3 HN CYS 3 15.950 16.180 13.938 14 HA CYS 3 HA CYS 3 17.967 17.947 15.033 15 HB2 CYS 3 HB2 CYS 3 16.294 17.003 16.599 16 HB3 CYS 3 HB1 CYS 3 16.680 15.377 16.084 17 H SER 4 HN SER 4 19.673 17.644 13.272 18 HA SER 4 HA SER 4 20.869 15.093 13.083 19 HB2 SER 4 HB2 SER 4 22.623 16.490 11.831 20 HB3 SER 4 HB1 SER 4 20.956 16.631 11.224 21 HG SER 4 HG SER 4 22.004 18.646 11.488 22 H ARG 5 HN ARG 5 23.092 14.644 13.876 23 HA ARG 5 HA ARG 5 23.384 15.233 16.527 24 HB2 ARG 5 HB2 ARG 5 24.339 13.247 15.587 25 HB3 ARG 5 HB1 ARG 5 25.379 14.181 14.481 26 HG2 ARG 5 HG2 ARG 5 26.603 15.153 16.446 27 HG3 ARG 5 HG1 ARG 5 25.580 14.169 17.550 28 HD2 ARG 5 HD2 ARG 5 26.587 12.080 16.665 29 HD3 ARG 5 HD1 ARG 5 27.455 13.006 15.383 30 HE ARG 5 HE ARG 5 28.737 14.179 17.084 31 HH11 ARG 5 HH11 ARG 5 26.954 11.456 18.567 32 HH12 ARG 5 HH12 ARG 5 27.507 11.847 20.134 33 HH21 ARG 5 HH21 ARG 5 29.530 14.552 19.200 34 HH22 ARG 5 HH22 ARG 5 28.782 13.765 20.517 35 H TRP 6 HN TRP 6 24.962 16.868 13.756 36 HA TRP 6 HA TRP 6 26.469 18.541 15.500 37 HB2 TRP 6 HB2 TRP 6 26.399 18.053 12.534 38 HB3 TRP 6 HB1 TRP 6 26.773 19.708 13.053 39 HD1 TRP 6 HD1 TRP 6 28.771 16.476 12.845 40 HE1 TRP 6 HE1 TRP 6 30.996 16.942 14.059 41 HE3 TRP 6 HE3 TRP 6 27.521 20.820 15.078 42 HZ2 TRP 6 HZ2 TRP 6 32.155 19.081 15.519 43 HZ3 TRP 6 HZ3 TRP 6 29.259 22.097 16.299 44 HH2 TRP 6 HH2 TRP 6 31.524 21.223 16.514 45 H ALA 7 HN ALA 7 24.037 18.925 16.477 46 HA ALA 7 HA ALA 7 23.005 21.368 15.359 47 HB1 ALA 7 HB1 ALA 7 22.234 19.833 17.898 48 HB2 ALA 7 HB2 ALA 7 21.541 19.582 16.255 49 HB3 ALA 7 HB3 ALA 7 21.311 21.171 17.090 50 H ARG 8 HN ARG 8 25.087 22.598 15.604 51 HA ARG 8 HA ARG 8 25.962 23.310 18.192 52 HB2 ARG 8 HB2 ARG 8 27.025 25.238 17.162 53 HB3 ARG 8 HB1 ARG 8 27.529 23.620 16.658 54 HG2 ARG 8 HG2 ARG 8 26.842 23.865 14.454 55 HG3 ARG 8 HG1 ARG 8 25.525 25.007 14.827 56 HD2 ARG 8 HD2 ARG 8 28.387 25.713 15.484 57 HD3 ARG 8 HD1 ARG 8 27.821 25.953 13.755 58 HE ARG 8 HE ARG 8 25.836 27.236 14.865 59 HH11 ARG 8 HH11 ARG 8 29.139 27.586 16.199 60 HH12 ARG 8 HH12 ARG 8 28.603 28.696 17.419 61 HH21 ARG 8 HH21 ARG 8 25.337 28.943 16.197 62 HH22 ARG 8 HH22 ARG 8 26.547 29.673 17.200 63 H ASP 9 HN ASP 9 24.186 25.266 15.897 64 HA ASP 9 HA ASP 9 23.238 27.113 17.764 65 HB2 ASP 9 HB2 ASP 9 21.940 26.346 15.071 66 HB3 ASP 9 HB1 ASP 9 21.593 27.845 16.003 67 H HIS 10 HN HIS 10 21.237 27.344 18.887 68 HA HIS 10 HA HIS 10 19.830 24.872 19.307 69 HB2 HIS 10 HB2 HIS 10 18.992 27.532 20.570 70 HB3 HIS 10 HB1 HIS 10 18.716 25.823 21.087 71 HD1 HIS 10 HD1 HIS 10 21.587 24.765 21.098 72 HD2 HIS 10 HD2 HIS 10 20.281 28.382 22.763 73 HE1 HIS 10 HE1 HIS 10 22.971 25.214 23.256 74 H SER 11 HN SER 11 19.450 25.468 16.762 75 HA SER 11 HA SER 11 17.014 26.961 16.341 76 HB2 SER 11 HB2 SER 11 17.528 26.550 13.925 77 HB3 SER 11 HB1 SER 11 18.882 27.299 14.827 78 HG SER 11 HG SER 11 19.451 25.569 13.446 79 H ARG 12 HN ARG 12 18.070 23.723 16.481 80 HA ARG 12 HA ARG 12 15.729 22.718 15.099 81 HB2 ARG 12 HB2 ARG 12 17.863 20.866 16.263 82 HB3 ARG 12 HB1 ARG 12 16.774 20.577 14.917 83 HG2 ARG 12 HG2 ARG 12 18.045 22.127 13.430 84 HG3 ARG 12 HG1 ARG 12 19.015 22.676 14.819 85 HD2 ARG 12 HD2 ARG 12 20.124 20.546 15.030 86 HD3 ARG 12 HD1 ARG 12 19.028 19.748 13.849 87 HE ARG 12 HE ARG 12 21.242 21.644 13.195 88 HH11 ARG 12 HH11 ARG 12 18.325 19.998 11.903 89 HH12 ARG 12 HH12 ARG 12 18.625 20.587 10.295 90 HH21 ARG 12 HH21 ARG 12 21.724 22.028 11.136 91 HH22 ARG 12 HH22 ARG 12 20.686 21.528 9.827 92 H CYS 13 HN CYS 13 14.336 20.877 16.023 93 HA CYS 13 HA CYS 13 13.599 21.684 18.636 94 HB2 CYS 13 HB2 CYS 13 12.221 19.422 17.176 95 HB3 CYS 13 HB1 CYS 13 11.551 20.711 18.184 96 H CYS 14 HN CYS 14 16.077 20.449 18.967 97 HA CYS 14 HA CYS 14 15.758 17.611 19.090 98 HB2 CYS 14 HB2 CYS 14 17.992 19.381 20.199 99 HB3 CYS 14 HB1 CYS 14 17.987 17.582 20.131 Start of MODEL 11 1 H1 CYS 1 HT1 CYS 1 10.533 17.427 13.784 2 H2 CYS 1 HT2 CYS 1 11.873 16.598 14.336 3 H3 CYS 1 HT3 CYS 1 11.525 16.600 12.685 4 HA CYS 1 HA CYS 1 12.044 18.858 12.475 5 HB2 CYS 1 HB2 CYS 1 11.055 19.522 14.646 6 HB3 CYS 1 HB1 CYS 1 12.414 18.784 15.497 7 H ASN 2 HN ASN 2 14.371 19.887 12.997 8 HA ASN 2 HA ASN 2 16.029 17.721 11.778 9 HB2 ASN 2 HB2 ASN 2 17.698 19.599 11.285 10 HB3 ASN 2 HB1 ASN 2 16.282 19.448 10.284 11 HD21 ASN 2 HD21 ASN 2 17.229 21.042 13.444 12 HD22 ASN 2 HD22 ASN 2 16.606 22.583 12.921 13 H CYS 3 HN CYS 3 15.939 16.784 14.059 14 HA CYS 3 HA CYS 3 17.899 18.007 15.825 15 HB2 CYS 3 HB2 CYS 3 15.838 17.365 16.860 16 HB3 CYS 3 HB1 CYS 3 15.968 15.723 16.258 17 H SER 4 HN SER 4 19.560 17.636 13.996 18 HA SER 4 HA SER 4 20.795 15.030 14.299 19 HB2 SER 4 HB2 SER 4 20.769 16.303 12.117 20 HB3 SER 4 HB1 SER 4 21.931 17.442 12.866 21 HG SER 4 HG SER 4 23.076 15.864 11.841 22 H ARG 5 HN ARG 5 23.299 15.316 14.692 23 HA ARG 5 HA ARG 5 23.588 16.801 17.185 24 HB2 ARG 5 HB2 ARG 5 25.303 14.662 15.917 25 HB3 ARG 5 HB1 ARG 5 25.726 15.499 17.426 26 HG2 ARG 5 HG2 ARG 5 23.808 14.687 18.627 27 HG3 ARG 5 HG1 ARG 5 23.029 14.053 17.146 28 HD2 ARG 5 HD2 ARG 5 24.715 12.292 16.940 29 HD3 ARG 5 HD1 ARG 5 25.697 12.974 18.291 30 HE ARG 5 HE ARG 5 22.941 11.714 18.527 31 HH11 ARG 5 HH21 ARG 5 25.429 13.563 20.301 32 HH12 ARG 5 HH22 ARG 5 24.947 12.908 21.823 33 HH21 ARG 5 HH11 ARG 5 22.730 10.531 20.459 34 HH22 ARG 5 HH12 ARG 5 23.414 11.188 21.917 35 H TRP 6 HN TRP 6 25.083 17.041 13.892 36 HA TRP 6 HA TRP 6 27.212 18.449 14.897 37 HB2 TRP 6 HB2 TRP 6 26.165 18.048 12.079 38 HB3 TRP 6 HB1 TRP 6 27.311 19.393 12.417 39 HD1 TRP 6 HD1 TRP 6 27.709 15.754 11.608 40 HE1 TRP 6 HE1 TRP 6 30.159 15.158 12.125 41 HE3 TRP 6 HE3 TRP 6 28.962 19.901 14.206 42 HZ2 TRP 6 HZ2 TRP 6 32.273 16.241 13.693 43 HZ3 TRP 6 HZ3 TRP 6 31.205 20.107 15.144 44 HH2 TRP 6 HH2 TRP 6 32.845 18.294 14.897 45 H ALA 7 HN ALA 7 24.272 20.013 13.368 46 HA ALA 7 HA ALA 7 25.344 22.518 14.272 47 HB1 ALA 7 HB1 ALA 7 23.296 23.509 13.415 48 HB2 ALA 7 HB2 ALA 7 22.681 21.856 12.967 49 HB3 ALA 7 HB3 ALA 7 24.180 22.525 12.195 50 H ARG 8 HN ARG 8 25.489 22.651 16.409 51 HA ARG 8 HA ARG 8 23.571 21.632 18.247 52 HB2 ARG 8 HB2 ARG 8 25.777 21.266 18.803 53 HB3 ARG 8 HB1 ARG 8 26.361 22.816 18.139 54 HG2 ARG 8 HG2 ARG 8 25.473 24.096 19.919 55 HG3 ARG 8 HG1 ARG 8 24.699 22.644 20.698 56 HD2 ARG 8 HD2 ARG 8 27.003 21.575 20.683 57 HD3 ARG 8 HD1 ARG 8 27.736 23.203 20.332 58 HE ARG 8 HE ARG 8 26.146 23.876 22.420 59 HH11 ARG 8 HH11 ARG 8 28.583 21.313 22.259 60 HH12 ARG 8 HH12 ARG 8 28.466 20.901 23.936 61 HH21 ARG 8 HH21 ARG 8 26.078 23.397 24.675 62 HH22 ARG 8 HH22 ARG 8 27.048 22.112 25.317 63 H ASP 9 HN ASP 9 24.615 24.762 17.002 64 HA ASP 9 HA ASP 9 23.202 26.329 18.877 65 HB2 ASP 9 HB2 ASP 9 24.091 26.999 15.992 66 HB3 ASP 9 HB1 ASP 9 23.349 28.179 17.125 67 H HIS 10 HN HIS 10 22.431 25.214 15.644 68 HA HIS 10 HA HIS 10 20.287 26.944 15.221 69 HB2 HIS 10 HB2 HIS 10 20.603 24.271 13.745 70 HB3 HIS 10 HB1 HIS 10 19.784 25.773 13.203 71 HD1 HIS 10 HD1 HIS 10 21.817 24.492 11.436 72 HD2 HIS 10 HD2 HIS 10 22.661 27.634 14.081 73 HE1 HIS 10 HE1 HIS 10 23.698 25.936 10.402 74 H SER 11 HN SER 11 18.952 26.854 16.901 75 HA SER 11 HA SER 11 18.130 25.191 18.601 76 HB2 SER 11 HB2 SER 11 15.854 26.316 18.730 77 HB3 SER 11 HB1 SER 11 17.298 27.365 18.744 78 HG SER 11 HG SER 11 15.696 28.125 17.387 79 H ARG 12 HN ARG 12 18.207 23.003 17.957 80 HA ARG 12 HA ARG 12 16.309 22.137 16.094 81 HB2 ARG 12 HB2 ARG 12 17.651 20.204 18.025 82 HB3 ARG 12 HB1 ARG 12 17.028 19.889 16.424 83 HG2 ARG 12 HG2 ARG 12 19.000 20.876 15.359 84 HG3 ARG 12 HG1 ARG 12 19.350 21.891 16.763 85 HD2 ARG 12 HD2 ARG 12 19.604 18.830 16.824 86 HD3 ARG 12 HD1 ARG 12 20.958 19.984 16.483 87 HE ARG 12 HE ARG 12 19.880 20.994 18.824 88 HH11 ARG 12 HH11 ARG 12 21.503 17.969 17.837 89 HH12 ARG 12 HH12 ARG 12 22.174 17.731 19.433 90 HH21 ARG 12 HH21 ARG 12 20.229 20.153 20.975 91 HH22 ARG 12 HH22 ARG 12 21.386 18.901 21.179 92 H CYS 13 HN CYS 13 14.287 20.836 16.431 93 HA CYS 13 HA CYS 13 13.255 21.149 19.060 94 HB2 CYS 13 HB2 CYS 13 11.596 19.822 16.937 95 HB3 CYS 13 HB1 CYS 13 11.164 21.024 18.191 96 H CYS 14 HN CYS 14 14.598 19.415 20.171 97 HA CYS 14 HA CYS 14 14.431 16.771 18.965 98 HB2 CYS 14 HB2 CYS 14 15.923 17.736 21.433 99 HB3 CYS 14 HB1 CYS 14 16.060 16.129 20.612 Start of MODEL 12 1 H1 CYS 1 HT1 CYS 1 11.237 17.470 12.617 2 H2 CYS 1 HT2 CYS 1 12.434 16.492 13.299 3 H3 CYS 1 HT3 CYS 1 12.423 16.785 11.658 4 HA CYS 1 HA CYS 1 12.835 19.071 11.942 5 HB2 CYS 1 HB2 CYS 1 11.563 19.229 14.097 6 HB3 CYS 1 HB1 CYS 1 12.924 18.507 14.949 7 H ASN 2 HN ASN 2 15.000 20.109 12.556 8 HA ASN 2 HA ASN 2 17.004 18.015 11.955 9 HB2 ASN 2 HB2 ASN 2 18.159 20.743 12.122 10 HB3 ASN 2 HB1 ASN 2 18.391 19.433 11.007 11 HD21 ASN 2 HD21 ASN 2 16.350 22.359 11.580 12 HD22 ASN 2 HD22 ASN 2 15.903 22.377 9.913 13 H CYS 3 HN CYS 3 16.205 17.384 14.273 14 HA CYS 3 HA CYS 3 18.216 18.229 16.205 15 HB2 CYS 3 HB2 CYS 3 16.053 17.622 17.145 16 HB3 CYS 3 HB1 CYS 3 16.081 16.056 16.317 17 H SER 4 HN SER 4 19.753 17.801 14.208 18 HA SER 4 HA SER 4 20.532 15.078 13.959 19 HB2 SER 4 HB2 SER 4 22.362 17.347 13.115 20 HB3 SER 4 HB1 SER 4 22.019 15.783 12.311 21 HG SER 4 HG SER 4 21.157 17.649 11.320 22 H ARG 5 HN ARG 5 23.051 14.629 14.335 23 HA ARG 5 HA ARG 5 23.476 15.155 17.110 24 HB2 ARG 5 HB2 ARG 5 25.176 13.731 15.026 25 HB3 ARG 5 HB1 ARG 5 25.711 13.973 16.698 26 HG2 ARG 5 HG2 ARG 5 24.008 12.644 17.665 27 HG3 ARG 5 HG1 ARG 5 22.999 12.637 16.200 28 HD2 ARG 5 HD2 ARG 5 24.572 11.171 15.020 29 HD3 ARG 5 HD1 ARG 5 25.759 11.262 16.378 30 HE ARG 5 HE ARG 5 23.978 10.258 17.868 31 HH11 ARG 5 HH21 ARG 5 23.590 9.660 14.343 32 HH12 ARG 5 HH22 ARG 5 22.960 8.081 14.635 33 HH21 ARG 5 HH11 ARG 5 23.217 8.074 18.071 34 HH22 ARG 5 HH12 ARG 5 23.058 7.135 16.627 35 H TRP 6 HN TRP 6 25.125 16.293 14.120 36 HA TRP 6 HA TRP 6 26.613 18.178 15.715 37 HB2 TRP 6 HB2 TRP 6 26.941 17.070 12.998 38 HB3 TRP 6 HB1 TRP 6 27.140 18.846 13.072 39 HD1 TRP 6 HD1 TRP 6 29.475 16.063 13.532 40 HE1 TRP 6 HE1 TRP 6 31.568 17.093 14.601 41 HE3 TRP 6 HE3 TRP 6 27.490 20.461 15.027 42 HZ2 TRP 6 HZ2 TRP 6 32.199 19.379 16.165 43 HZ3 TRP 6 HZ3 TRP 6 28.891 22.074 16.210 44 HH2 TRP 6 HH2 TRP 6 31.212 21.531 16.806 45 H ALA 7 HN ALA 7 24.207 19.065 16.444 46 HA ALA 7 HA ALA 7 23.276 20.992 14.526 47 HB1 ALA 7 HB1 ALA 7 21.747 21.727 16.209 48 HB2 ALA 7 HB2 ALA 7 22.518 20.654 17.449 49 HB3 ALA 7 HB3 ALA 7 21.677 19.947 16.001 50 H ARG 8 HN ARG 8 24.550 22.655 14.108 51 HA ARG 8 HA ARG 8 26.246 23.965 16.020 52 HB2 ARG 8 HB2 ARG 8 26.598 25.690 14.472 53 HB3 ARG 8 HB1 ARG 8 26.817 24.070 13.755 54 HG2 ARG 8 HG2 ARG 8 24.917 24.248 12.353 55 HG3 ARG 8 HG1 ARG 8 24.236 25.664 13.191 56 HD2 ARG 8 HD2 ARG 8 27.060 25.776 12.151 57 HD3 ARG 8 HD1 ARG 8 25.696 26.005 10.938 58 HE ARG 8 HE ARG 8 24.865 27.755 12.799 59 HH11 ARG 8 HH11 ARG 8 28.271 27.487 11.760 60 HH12 ARG 8 HH12 ARG 8 28.641 29.010 12.453 61 HH21 ARG 8 HH21 ARG 8 25.431 29.637 13.635 62 HH22 ARG 8 HH22 ARG 8 27.106 30.076 13.854 63 H ASP 9 HN ASP 9 23.131 24.518 14.600 64 HA ASP 9 HA ASP 9 22.686 26.913 16.118 65 HB2 ASP 9 HB2 ASP 9 22.218 26.620 13.657 66 HB3 ASP 9 HB1 ASP 9 20.866 25.513 14.091 67 H HIS 10 HN HIS 10 21.073 27.258 17.662 68 HA HIS 10 HA HIS 10 20.431 24.849 19.143 69 HB2 HIS 10 HB2 HIS 10 19.912 26.246 21.046 70 HB3 HIS 10 HB1 HIS 10 21.519 26.665 20.390 71 HD1 HIS 10 HD1 HIS 10 20.052 28.588 22.186 72 HD2 HIS 10 HD2 HIS 10 20.035 28.819 17.995 73 HE1 HIS 10 HE1 HIS 10 19.892 31.086 21.491 74 H SER 11 HN SER 11 18.792 26.336 16.799 75 HA SER 11 HA SER 11 16.235 26.584 17.975 76 HB2 SER 11 HB2 SER 11 15.376 26.589 15.599 77 HB3 SER 11 HB1 SER 11 16.647 27.785 15.942 78 HG SER 11 HG SER 11 18.083 26.638 14.860 79 H ARG 12 HN ARG 12 17.898 23.743 17.426 80 HA ARG 12 HA ARG 12 16.088 22.304 16.021 81 HB2 ARG 12 HB2 ARG 12 17.390 20.209 17.082 82 HB3 ARG 12 HB1 ARG 12 18.141 21.345 15.960 83 HG2 ARG 12 HG2 ARG 12 19.652 20.774 17.720 84 HG3 ARG 12 HG1 ARG 12 19.306 22.513 17.851 85 HD2 ARG 12 HD2 ARG 12 17.721 20.438 19.402 86 HD3 ARG 12 HD1 ARG 12 19.411 20.800 19.963 87 HE ARG 12 HE ARG 12 17.055 22.693 19.905 88 HH11 ARG 12 HH11 ARG 12 20.481 22.271 20.976 89 HH12 ARG 12 HH12 ARG 12 20.174 23.110 22.455 90 HH21 ARG 12 HH21 ARG 12 16.983 24.224 21.559 91 HH22 ARG 12 HH22 ARG 12 18.313 24.425 22.613 92 H CYS 13 HN CYS 13 14.520 20.618 16.360 93 HA CYS 13 HA CYS 13 13.190 20.885 18.869 94 HB2 CYS 13 HB2 CYS 13 12.098 19.283 16.555 95 HB3 CYS 13 HB1 CYS 13 11.278 20.295 17.763 96 H CYS 14 HN CYS 14 14.802 19.501 20.101 97 HA CYS 14 HA CYS 14 14.809 16.713 19.245 98 HB2 CYS 14 HB2 CYS 14 16.242 17.963 21.608 99 HB3 CYS 14 HB1 CYS 14 16.364 16.280 20.952 Start of MODEL 13 1 H1 CYS 1 HT1 CYS 1 11.718 18.160 12.821 2 H2 CYS 1 HT2 CYS 1 12.958 17.281 13.492 3 H3 CYS 1 HT3 CYS 1 12.838 17.396 11.820 4 HA CYS 1 HA CYS 1 13.235 19.763 11.924 5 HB2 CYS 1 HB2 CYS 1 12.409 19.574 14.540 6 HB3 CYS 1 HB1 CYS 1 14.132 19.506 14.849 7 H ASN 2 HN ASN 2 15.642 20.584 13.179 8 HA ASN 2 HA ASN 2 17.525 18.711 11.866 9 HB2 ASN 2 HB2 ASN 2 19.062 20.769 13.125 10 HB3 ASN 2 HB1 ASN 2 18.808 20.427 11.429 11 HD21 ASN 2 HD21 ASN 2 17.315 22.393 14.205 12 HD22 ASN 2 HD22 ASN 2 16.959 23.621 13.046 13 H CYS 3 HN CYS 3 16.620 17.092 13.488 14 HA CYS 3 HA CYS 3 17.790 17.374 16.129 15 HB2 CYS 3 HB2 CYS 3 15.448 16.665 15.975 16 HB3 CYS 3 HB1 CYS 3 15.921 15.228 15.053 17 H SER 4 HN SER 4 19.753 17.436 14.448 18 HA SER 4 HA SER 4 21.101 14.922 14.191 19 HB2 SER 4 HB2 SER 4 22.782 16.567 13.057 20 HB3 SER 4 HB1 SER 4 21.171 16.423 12.327 21 HG SER 4 HG SER 4 21.913 18.600 12.669 22 H ARG 5 HN ARG 5 23.299 14.723 15.123 23 HA ARG 5 HA ARG 5 23.457 15.826 17.755 24 HB2 ARG 5 HB2 ARG 5 25.472 14.204 16.133 25 HB3 ARG 5 HB1 ARG 5 25.779 14.789 17.788 26 HG2 ARG 5 HG2 ARG 5 24.029 13.440 18.742 27 HG3 ARG 5 HG1 ARG 5 23.368 12.976 17.155 28 HD2 ARG 5 HD2 ARG 5 26.150 12.185 18.218 29 HD3 ARG 5 HD1 ARG 5 24.691 11.140 18.184 30 HE ARG 5 HE ARG 5 26.399 11.945 15.907 31 HH11 ARG 5 HH21 ARG 5 23.397 10.241 16.866 32 HH12 ARG 5 HH22 ARG 5 23.773 8.960 15.765 33 HH21 ARG 5 HH11 ARG 5 26.211 10.810 13.986 34 HH22 ARG 5 HH12 ARG 5 25.203 9.411 13.921 35 H TRP 6 HN TRP 6 25.292 16.435 14.712 36 HA TRP 6 HA TRP 6 26.232 18.912 15.812 37 HB2 TRP 6 HB2 TRP 6 26.822 17.354 13.311 38 HB3 TRP 6 HB1 TRP 6 26.822 19.128 13.166 39 HD1 TRP 6 HD1 TRP 6 29.338 16.604 14.451 40 HE1 TRP 6 HE1 TRP 6 31.228 18.011 15.502 41 HE3 TRP 6 HE3 TRP 6 26.936 21.031 14.692 42 HZ2 TRP 6 HZ2 TRP 6 31.603 20.684 16.357 43 HZ3 TRP 6 HZ3 TRP 6 28.090 22.989 15.641 44 HH2 TRP 6 HH2 TRP 6 30.377 22.807 16.478 45 H ALA 7 HN ALA 7 23.671 19.312 16.335 46 HA ALA 7 HA ALA 7 22.666 20.967 14.205 47 HB1 ALA 7 HB1 ALA 7 21.908 20.764 17.139 48 HB2 ALA 7 HB2 ALA 7 21.077 20.048 15.696 49 HB3 ALA 7 HB3 ALA 7 21.130 21.837 15.899 50 H ARG 8 HN ARG 8 24.269 22.361 13.583 51 HA ARG 8 HA ARG 8 25.903 23.858 15.283 52 HB2 ARG 8 HB2 ARG 8 26.662 24.901 13.410 53 HB3 ARG 8 HB1 ARG 8 26.183 23.245 12.902 54 HG2 ARG 8 HG2 ARG 8 24.105 24.181 11.807 55 HG3 ARG 8 HG1 ARG 8 24.615 25.825 12.354 56 HD2 ARG 8 HD2 ARG 8 26.888 25.290 11.297 57 HD3 ARG 8 HD1 ARG 8 26.088 23.930 10.403 58 HE ARG 8 HE ARG 8 24.614 26.509 10.149 59 HH11 ARG 8 HH21 ARG 8 27.450 24.792 8.832 60 HH12 ARG 8 HH22 ARG 8 27.516 25.776 7.463 61 HH21 ARG 8 HH11 ARG 8 24.676 27.703 8.296 62 HH22 ARG 8 HH12 ARG 8 25.791 27.304 7.001 63 H ASP 9 HN ASP 9 22.723 24.229 14.113 64 HA ASP 9 HA ASP 9 22.256 26.901 14.970 65 HB2 ASP 9 HB2 ASP 9 21.039 25.504 13.130 66 HB3 ASP 9 HB1 ASP 9 20.143 24.710 14.476 67 H HIS 10 HN HIS 10 20.522 27.432 16.517 68 HA HIS 10 HA HIS 10 21.074 26.170 19.060 69 HB2 HIS 10 HB2 HIS 10 19.591 27.917 20.038 70 HB3 HIS 10 HB1 HIS 10 20.998 28.572 19.174 71 HD1 HIS 10 HD1 HIS 10 18.558 30.228 19.817 72 HD2 HIS 10 HD2 HIS 10 19.502 28.662 16.039 73 HE1 HIS 10 HE1 HIS 10 17.765 31.887 17.993 74 H SER 11 HN SER 11 18.432 26.143 16.669 75 HA SER 11 HA SER 11 16.518 25.259 18.544 76 HB2 SER 11 HB2 SER 11 16.504 25.296 15.513 77 HB3 SER 11 HB1 SER 11 15.094 24.895 16.554 78 HG SER 11 HG SER 11 15.393 26.928 17.553 79 H ARG 12 HN ARG 12 17.497 23.383 19.500 80 HA ARG 12 HA ARG 12 17.599 20.983 17.880 81 HB2 ARG 12 HB2 ARG 12 17.907 20.976 20.904 82 HB3 ARG 12 HB1 ARG 12 18.326 19.755 19.744 83 HG2 ARG 12 HG2 ARG 12 20.302 20.983 19.002 84 HG3 ARG 12 HG1 ARG 12 19.638 22.539 19.505 85 HD2 ARG 12 HD2 ARG 12 20.390 20.378 21.561 86 HD3 ARG 12 HD1 ARG 12 21.531 21.605 20.872 87 HE ARG 12 HE ARG 12 18.969 22.721 21.927 88 HH11 ARG 12 HH21 ARG 12 22.332 21.885 22.791 89 HH12 ARG 12 HH22 ARG 12 22.563 23.306 23.753 90 HH21 ARG 12 HH11 ARG 12 19.332 24.611 23.163 91 HH22 ARG 12 HH12 ARG 12 20.792 24.798 24.074 92 H CYS 13 HN CYS 13 15.315 20.862 17.192 93 HA CYS 13 HA CYS 13 13.350 21.580 19.042 94 HB2 CYS 13 HB2 CYS 13 12.644 20.294 16.413 95 HB3 CYS 13 HB1 CYS 13 11.913 21.701 17.227 96 H CYS 14 HN CYS 14 14.858 18.767 18.849 97 HA CYS 14 HA CYS 14 13.516 16.738 17.937 98 HB2 CYS 14 HB2 CYS 14 14.976 16.744 20.606 99 HB3 CYS 14 HB1 CYS 14 14.696 15.309 19.555 Start of MODEL 14 1 H1 CYS 1 HT1 CYS 1 11.790 17.150 11.702 2 H2 CYS 1 HT2 CYS 1 12.523 16.424 13.031 3 H3 CYS 1 HT3 CYS 1 13.112 16.173 11.464 4 HA CYS 1 HA CYS 1 13.427 18.670 11.377 5 HB2 CYS 1 HB2 CYS 1 12.111 19.131 13.424 6 HB3 CYS 1 HB1 CYS 1 13.281 18.266 14.413 7 H ASN 2 HN ASN 2 15.547 19.580 12.171 8 HA ASN 2 HA ASN 2 17.577 17.464 11.639 9 HB2 ASN 2 HB2 ASN 2 19.186 19.568 11.685 10 HB3 ASN 2 HB1 ASN 2 18.313 19.079 10.252 11 HD21 ASN 2 HD21 ASN 2 17.683 21.143 13.276 12 HD22 ASN 2 HD22 ASN 2 17.273 22.479 12.247 13 H CYS 3 HN CYS 3 16.373 17.004 14.025 14 HA CYS 3 HA CYS 3 18.290 17.797 16.058 15 HB2 CYS 3 HB2 CYS 3 15.947 17.382 16.798 16 HB3 CYS 3 HB1 CYS 3 16.041 15.733 16.150 17 H SER 4 HN SER 4 19.789 17.039 14.089 18 HA SER 4 HA SER 4 20.573 14.262 14.539 19 HB2 SER 4 HB2 SER 4 20.512 15.321 12.243 20 HB3 SER 4 HB1 SER 4 21.945 16.267 12.736 21 HG SER 4 HG SER 4 21.719 13.687 11.960 22 H ARG 5 HN ARG 5 23.293 14.288 14.595 23 HA ARG 5 HA ARG 5 23.812 15.432 17.140 24 HB2 ARG 5 HB2 ARG 5 24.672 13.245 16.464 25 HB3 ARG 5 HB1 ARG 5 25.636 13.976 15.156 26 HG2 ARG 5 HG2 ARG 5 26.949 15.279 16.912 27 HG3 ARG 5 HG1 ARG 5 25.997 14.430 18.181 28 HD2 ARG 5 HD2 ARG 5 26.924 12.225 17.411 29 HD3 ARG 5 HD1 ARG 5 27.822 13.080 16.081 30 HE ARG 5 HE ARG 5 28.473 14.310 18.640 31 HH11 ARG 5 HH21 ARG 5 29.184 11.360 16.706 32 HH12 ARG 5 HH22 ARG 5 30.650 11.058 17.599 33 HH21 ARG 5 HH11 ARG 5 30.090 13.483 19.999 34 HH22 ARG 5 HH12 ARG 5 31.238 12.335 19.339 35 H TRP 6 HN TRP 6 24.851 16.341 13.807 36 HA TRP 6 HA TRP 6 26.354 18.508 14.884 37 HB2 TRP 6 HB2 TRP 6 25.960 17.390 12.103 38 HB3 TRP 6 HB1 TRP 6 26.330 19.128 12.256 39 HD1 TRP 6 HD1 TRP 6 28.482 16.141 12.047 40 HE1 TRP 6 HE1 TRP 6 30.843 16.932 12.737 41 HE3 TRP 6 HE3 TRP 6 27.222 20.573 14.106 42 HZ2 TRP 6 HZ2 TRP 6 31.972 19.109 14.137 43 HZ3 TRP 6 HZ3 TRP 6 28.978 22.009 15.035 44 HH2 TRP 6 HH2 TRP 6 31.318 21.277 15.072 45 H ALA 7 HN ALA 7 23.876 18.840 15.977 46 HA ALA 7 HA ALA 7 22.708 21.012 14.476 47 HB1 ALA 7 HB1 ALA 7 21.233 19.483 15.647 48 HB2 ALA 7 HB2 ALA 7 21.097 21.166 16.270 49 HB3 ALA 7 HB3 ALA 7 22.010 19.909 17.226 50 H ARG 8 HN ARG 8 24.137 22.639 14.292 51 HA ARG 8 HA ARG 8 25.771 23.630 16.417 52 HB2 ARG 8 HB2 ARG 8 26.724 23.384 14.268 53 HB3 ARG 8 HB1 ARG 8 25.280 24.005 13.427 54 HG2 ARG 8 HG2 ARG 8 25.599 26.217 14.193 55 HG3 ARG 8 HG1 ARG 8 27.044 25.771 15.203 56 HD2 ARG 8 HD2 ARG 8 27.993 24.754 13.001 57 HD3 ARG 8 HD1 ARG 8 26.804 25.776 12.099 58 HE ARG 8 HE ARG 8 29.150 26.725 13.736 59 HH11 ARG 8 HH21 ARG 8 26.058 27.841 12.266 60 HH12 ARG 8 HH22 ARG 8 26.643 29.467 12.131 61 HH21 ARG 8 HH11 ARG 8 29.920 28.734 13.108 62 HH22 ARG 8 HH12 ARG 8 28.852 30.002 12.650 63 H ASP 9 HN ASP 9 22.862 24.379 14.612 64 HA ASP 9 HA ASP 9 22.497 26.982 15.610 65 HB2 ASP 9 HB2 ASP 9 20.481 25.029 14.377 66 HB3 ASP 9 HB1 ASP 9 20.152 26.774 14.695 67 H HIS 10 HN HIS 10 20.825 27.766 17.045 68 HA HIS 10 HA HIS 10 21.095 26.273 19.476 69 HB2 HIS 10 HB2 HIS 10 19.892 28.253 20.534 70 HB3 HIS 10 HB1 HIS 10 21.388 28.732 19.707 71 HD1 HIS 10 HD1 HIS 10 17.907 29.502 19.610 72 HD2 HIS 10 HD2 HIS 10 21.379 30.148 17.358 73 HE1 HIS 10 HE1 HIS 10 17.564 31.637 18.153 74 H SER 11 HN SER 11 18.264 27.370 17.532 75 HA SER 11 HA SER 11 16.429 26.155 19.302 76 HB2 SER 11 HB2 SER 11 14.751 26.768 17.549 77 HB3 SER 11 HB1 SER 11 15.761 28.120 18.144 78 HG SER 11 HG SER 11 16.319 26.622 15.815 79 H ARG 12 HN ARG 12 17.258 23.916 19.314 80 HA ARG 12 HA ARG 12 16.806 22.460 16.852 81 HB2 ARG 12 HB2 ARG 12 17.309 21.027 19.505 82 HB3 ARG 12 HB1 ARG 12 17.624 20.482 17.862 83 HG2 ARG 12 HG2 ARG 12 19.607 22.035 17.691 84 HG3 ARG 12 HG1 ARG 12 19.190 22.717 19.284 85 HD2 ARG 12 HD2 ARG 12 19.812 19.733 18.791 86 HD3 ARG 12 HD1 ARG 12 21.061 20.945 19.251 87 HE ARG 12 HE ARG 12 19.236 19.657 21.051 88 HH11 ARG 12 HH21 ARG 12 21.301 22.531 20.673 89 HH12 ARG 12 HH22 ARG 12 21.278 22.752 22.396 90 HH21 ARG 12 HH11 ARG 12 19.108 20.224 23.192 91 HH22 ARG 12 HH12 ARG 12 20.251 21.433 23.753 92 H CYS 13 HN CYS 13 15.127 20.673 16.633 93 HA CYS 13 HA CYS 13 12.808 21.368 18.190 94 HB2 CYS 13 HB2 CYS 13 12.958 19.209 16.052 95 HB3 CYS 13 HB1 CYS 13 11.546 20.101 16.652 96 H CYS 14 HN CYS 14 15.249 19.649 19.206 97 HA CYS 14 HA CYS 14 14.445 17.012 19.166 98 HB2 CYS 14 HB2 CYS 14 16.259 18.339 21.257 99 HB3 CYS 14 HB1 CYS 14 16.223 16.606 20.748 Start of MODEL 15 1 H1 CYS 1 HT1 CYS 1 12.803 15.919 13.712 2 H2 CYS 1 HT2 CYS 1 11.957 15.991 12.264 3 H3 CYS 1 HT3 CYS 1 11.259 16.614 13.644 4 HA CYS 1 HA CYS 1 12.132 18.285 12.129 5 HB2 CYS 1 HB2 CYS 1 12.118 18.295 14.887 6 HB3 CYS 1 HB1 CYS 1 13.801 18.637 14.658 7 H ASN 2 HN ASN 2 14.634 19.559 12.394 8 HA ASN 2 HA ASN 2 16.401 17.528 11.090 9 HB2 ASN 2 HB2 ASN 2 17.421 20.361 11.354 10 HB3 ASN 2 HB1 ASN 2 17.881 19.021 10.351 11 HD21 ASN 2 HD21 ASN 2 15.749 21.849 10.266 12 HD22 ASN 2 HD22 ASN 2 15.014 21.312 8.804 13 H CYS 3 HN CYS 3 16.021 16.640 13.530 14 HA CYS 3 HA CYS 3 17.906 17.712 15.397 15 HB2 CYS 3 HB2 CYS 3 15.782 16.860 16.253 16 HB3 CYS 3 HB1 CYS 3 16.176 15.250 15.617 17 H SER 4 HN SER 4 19.754 17.440 13.807 18 HA SER 4 HA SER 4 20.915 14.789 13.904 19 HB2 SER 4 HB2 SER 4 22.070 17.383 12.752 20 HB3 SER 4 HB1 SER 4 22.656 15.702 12.481 21 HG SER 4 HG SER 4 21.038 15.267 11.263 22 H ARG 5 HN ARG 5 23.061 14.482 14.733 23 HA ARG 5 HA ARG 5 23.500 15.425 17.308 24 HB2 ARG 5 HB2 ARG 5 25.327 13.967 15.341 25 HB3 ARG 5 HB1 ARG 5 25.932 14.520 16.904 26 HG2 ARG 5 HG2 ARG 5 24.457 13.177 18.193 27 HG3 ARG 5 HG1 ARG 5 23.516 12.654 16.760 28 HD2 ARG 5 HD2 ARG 5 25.340 11.345 15.908 29 HD3 ARG 5 HD1 ARG 5 26.547 12.117 17.007 30 HE ARG 5 HE ARG 5 24.303 10.280 17.911 31 HH11 ARG 5 HH21 ARG 5 27.507 11.736 18.693 32 HH12 ARG 5 HH22 ARG 5 27.337 11.332 20.365 33 HH21 ARG 5 HH11 ARG 5 24.196 9.800 20.130 34 HH22 ARG 5 HH12 ARG 5 25.454 10.363 21.155 35 H TRP 6 HN TRP 6 25.011 16.421 14.251 36 HA TRP 6 HA TRP 6 26.536 18.485 15.478 37 HB2 TRP 6 HB2 TRP 6 26.307 17.383 12.730 38 HB3 TRP 6 HB1 TRP 6 26.403 19.154 12.776 39 HD1 TRP 6 HD1 TRP 6 28.908 16.348 13.055 40 HE1 TRP 6 HE1 TRP 6 31.149 17.490 13.690 41 HE3 TRP 6 HE3 TRP 6 27.107 20.852 14.433 42 HZ2 TRP 6 HZ2 TRP 6 31.998 19.999 14.657 43 HZ3 TRP 6 HZ3 TRP 6 28.652 22.577 15.247 44 HH2 TRP 6 HH2 TRP 6 31.059 22.147 15.372 45 H ALA 7 HN ALA 7 24.302 19.058 16.711 46 HA ALA 7 HA ALA 7 22.787 21.048 15.376 47 HB1 ALA 7 HB1 ALA 7 21.879 21.491 17.593 48 HB2 ALA 7 HB2 ALA 7 23.082 20.347 18.325 49 HB3 ALA 7 HB3 ALA 7 21.833 19.742 17.163 50 H ARG 8 HN ARG 8 24.026 22.624 14.518 51 HA ARG 8 HA ARG 8 26.169 23.953 15.928 52 HB2 ARG 8 HB2 ARG 8 26.675 23.749 13.713 53 HB3 ARG 8 HB1 ARG 8 24.984 23.693 13.186 54 HG2 ARG 8 HG2 ARG 8 24.686 26.092 13.447 55 HG3 ARG 8 HG1 ARG 8 26.436 26.279 13.924 56 HD2 ARG 8 HD2 ARG 8 26.989 24.978 11.841 57 HD3 ARG 8 HD1 ARG 8 25.290 25.155 11.243 58 HE ARG 8 HE ARG 8 27.334 27.342 11.474 59 HH11 ARG 8 HH21 ARG 8 23.772 27.154 11.485 60 HH12 ARG 8 HH22 ARG 8 23.608 28.174 10.148 61 HH21 ARG 8 HH11 ARG 8 27.029 28.679 9.663 62 HH22 ARG 8 HH12 ARG 8 25.449 29.193 9.212 63 H ASP 9 HN ASP 9 22.890 24.473 14.795 64 HA ASP 9 HA ASP 9 22.784 27.145 15.850 65 HB2 ASP 9 HB2 ASP 9 20.461 25.523 14.690 66 HB3 ASP 9 HB1 ASP 9 20.625 27.320 14.751 67 H HIS 10 HN HIS 10 21.336 27.827 17.554 68 HA HIS 10 HA HIS 10 20.978 25.838 19.562 69 HB2 HIS 10 HB2 HIS 10 19.872 27.520 20.948 70 HB3 HIS 10 HB1 HIS 10 21.436 28.098 20.365 71 HD1 HIS 10 HD1 HIS 10 19.346 29.985 21.380 72 HD2 HIS 10 HD2 HIS 10 19.849 29.172 17.302 73 HE1 HIS 10 HE1 HIS 10 18.919 32.172 20.042 74 H SER 11 HN SER 11 18.989 26.912 17.010 75 HA SER 11 HA SER 11 16.472 26.390 18.054 76 HB2 SER 11 HB2 SER 11 17.396 26.391 15.125 77 HB3 SER 11 HB1 SER 11 15.742 26.750 15.733 78 HG SER 11 HG SER 11 16.622 28.526 16.801 79 H ARG 12 HN ARG 12 17.708 24.099 18.735 80 HA ARG 12 HA ARG 12 16.948 22.159 16.767 81 HB2 ARG 12 HB2 ARG 12 18.058 20.422 17.845 82 HB3 ARG 12 HB1 ARG 12 19.018 21.867 18.089 83 HG2 ARG 12 HG2 ARG 12 17.313 21.430 20.509 84 HG3 ARG 12 HG1 ARG 12 17.926 19.903 19.901 85 HD2 ARG 12 HD2 ARG 12 20.273 20.832 19.754 86 HD3 ARG 12 HD1 ARG 12 19.671 22.356 20.509 87 HE ARG 12 HE ARG 12 19.183 21.122 22.565 88 HH11 ARG 12 HH21 ARG 12 20.081 18.659 20.139 89 HH12 ARG 12 HH22 ARG 12 20.518 17.531 21.382 90 HH21 ARG 12 HH11 ARG 12 20.193 19.847 24.014 91 HH22 ARG 12 HH12 ARG 12 20.608 18.195 23.635 92 H CYS 13 HN CYS 13 15.172 20.580 16.886 93 HA CYS 13 HA CYS 13 13.086 21.538 18.622 94 HB2 CYS 13 HB2 CYS 13 12.793 19.344 16.556 95 HB3 CYS 13 HB1 CYS 13 11.596 20.551 17.106 96 H CYS 14 HN CYS 14 15.425 19.227 19.074 97 HA CYS 14 HA CYS 14 14.343 16.876 18.682 98 HB2 CYS 14 HB2 CYS 14 16.336 17.527 20.894 99 HB3 CYS 14 HB1 CYS 14 16.130 15.953 20.052 Start of MODEL 16 1 H1 CYS 1 HT1 CYS 1 14.038 18.508 11.173 2 H2 CYS 1 HT2 CYS 1 12.582 18.994 11.838 3 H3 CYS 1 HT3 CYS 1 13.491 17.775 12.602 4 HA CYS 1 HA CYS 1 14.273 20.585 12.205 5 HB2 CYS 1 HB2 CYS 1 12.353 20.198 13.826 6 HB3 CYS 1 HB1 CYS 1 13.449 19.246 14.840 7 H ASN 2 HN ASN 2 16.129 21.261 13.466 8 HA ASN 2 HA ASN 2 18.223 19.208 12.972 9 HB2 ASN 2 HB2 ASN 2 19.017 22.081 13.613 10 HB3 ASN 2 HB1 ASN 2 19.972 20.676 13.191 11 HD21 ASN 2 HD21 ASN 2 17.115 22.500 11.724 12 HD22 ASN 2 HD22 ASN 2 18.002 22.624 10.239 13 H CYS 3 HN CYS 3 16.769 18.352 14.971 14 HA CYS 3 HA CYS 3 18.698 18.283 17.158 15 HB2 CYS 3 HB2 CYS 3 16.341 17.954 17.740 16 HB3 CYS 3 HB1 CYS 3 16.244 16.585 16.618 17 H SER 4 HN SER 4 20.023 18.004 14.801 18 HA SER 4 HA SER 4 20.269 15.232 14.033 19 HB2 SER 4 HB2 SER 4 21.812 16.338 12.278 20 HB3 SER 4 HB1 SER 4 20.126 16.883 12.304 21 HG SER 4 HG SER 4 22.380 18.259 13.268 22 H ARG 5 HN ARG 5 22.647 14.299 14.020 23 HA ARG 5 HA ARG 5 23.710 14.643 16.542 24 HB2 ARG 5 HB2 ARG 5 25.271 13.135 16.159 25 HB3 ARG 5 HB1 ARG 5 23.993 12.643 15.014 26 HG2 ARG 5 HG2 ARG 5 25.377 13.914 13.195 27 HG3 ARG 5 HG1 ARG 5 26.689 14.043 14.436 28 HD2 ARG 5 HD2 ARG 5 26.852 11.624 14.646 29 HD3 ARG 5 HD1 ARG 5 25.441 11.390 13.536 30 HE ARG 5 HE ARG 5 26.762 12.013 11.669 31 HH11 ARG 5 HH11 ARG 5 28.664 12.784 14.621 32 HH12 ARG 5 HH12 ARG 5 30.134 12.854 13.740 33 HH21 ARG 5 HH21 ARG 5 28.757 12.203 10.575 34 HH22 ARG 5 HH22 ARG 5 30.157 12.739 11.406 35 H TRP 6 HN TRP 6 24.631 16.268 13.505 36 HA TRP 6 HA TRP 6 26.488 17.965 14.956 37 HB2 TRP 6 HB2 TRP 6 26.232 17.129 12.182 38 HB3 TRP 6 HB1 TRP 6 26.234 18.912 12.334 39 HD1 TRP 6 HD1 TRP 6 28.841 16.133 12.458 40 HE1 TRP 6 HE1 TRP 6 30.989 17.167 13.443 41 HE3 TRP 6 HE3 TRP 6 26.935 20.533 14.021 42 HZ2 TRP 6 HZ2 TRP 6 31.807 19.661 14.491 43 HZ3 TRP 6 HZ3 TRP 6 28.412 22.204 15.004 44 HH2 TRP 6 HH2 TRP 6 30.833 21.785 15.233 45 H ALA 7 HN ALA 7 24.410 18.609 16.411 46 HA ALA 7 HA ALA 7 22.637 20.437 15.068 47 HB1 ALA 7 HB1 ALA 7 21.637 18.969 16.650 48 HB2 ALA 7 HB2 ALA 7 21.617 20.640 17.306 49 HB3 ALA 7 HB3 ALA 7 22.828 19.438 17.935 50 H ARG 8 HN ARG 8 23.770 22.218 14.470 51 HA ARG 8 HA ARG 8 25.540 23.495 16.401 52 HB2 ARG 8 HB2 ARG 8 26.454 24.721 14.755 53 HB3 ARG 8 HB1 ARG 8 26.239 23.061 14.153 54 HG2 ARG 8 HG2 ARG 8 24.587 23.672 12.572 55 HG3 ARG 8 HG1 ARG 8 24.257 25.270 13.317 56 HD2 ARG 8 HD2 ARG 8 27.066 24.547 12.449 57 HD3 ARG 8 HD1 ARG 8 25.853 25.168 11.206 58 HE ARG 8 HE ARG 8 26.223 26.714 13.785 59 HH11 ARG 8 HH11 ARG 8 27.201 26.557 10.358 60 HH12 ARG 8 HH12 ARG 8 27.224 28.280 10.181 61 HH21 ARG 8 HH21 ARG 8 26.013 28.978 13.399 62 HH22 ARG 8 HH22 ARG 8 26.514 29.637 11.921 63 H ASP 9 HN ASP 9 22.635 24.106 14.597 64 HA ASP 9 HA ASP 9 22.338 26.774 15.566 65 HB2 ASP 9 HB2 ASP 9 21.782 25.899 13.237 66 HB3 ASP 9 HB1 ASP 9 20.330 25.120 13.946 67 H HIS 10 HN HIS 10 20.159 27.528 16.213 68 HA HIS 10 HA HIS 10 19.584 26.451 18.786 69 HB2 HIS 10 HB2 HIS 10 17.948 28.686 17.472 70 HB3 HIS 10 HB1 HIS 10 18.279 28.393 19.200 71 HD1 HIS 10 HD1 HIS 10 21.239 28.409 19.457 72 HD2 HIS 10 HD2 HIS 10 19.255 30.928 16.755 73 HE1 HIS 10 HE1 HIS 10 22.585 30.611 19.260 74 H SER 11 HN SER 11 18.336 25.790 15.709 75 HA SER 11 HA SER 11 15.651 25.183 16.342 76 HB2 SER 11 HB2 SER 11 15.754 24.166 14.012 77 HB3 SER 11 HB1 SER 11 16.142 25.905 14.144 78 HG SER 11 HG SER 11 17.672 24.831 12.871 79 H ARG 12 HN ARG 12 16.613 23.968 18.248 80 HA ARG 12 HA ARG 12 17.524 21.254 17.558 81 HB2 ARG 12 HB2 ARG 12 18.996 22.594 18.994 82 HB3 ARG 12 HB1 ARG 12 17.652 22.667 20.193 83 HG2 ARG 12 HG2 ARG 12 17.869 20.139 20.399 84 HG3 ARG 12 HG1 ARG 12 19.199 20.182 19.206 85 HD2 ARG 12 HD2 ARG 12 20.585 21.557 20.727 86 HD3 ARG 12 HD1 ARG 12 19.214 21.772 21.870 87 HE ARG 12 HE ARG 12 20.867 19.331 21.482 88 HH11 ARG 12 HH21 ARG 12 17.849 20.656 22.936 89 HH12 ARG 12 HH22 ARG 12 17.675 19.330 24.025 90 HH21 ARG 12 HH11 ARG 12 20.336 17.486 22.684 91 HH22 ARG 12 HH12 ARG 12 19.009 17.499 23.791 92 H CYS 13 HN CYS 13 15.003 21.214 16.987 93 HA CYS 13 HA CYS 13 13.272 20.730 19.180 94 HB2 CYS 13 HB2 CYS 13 12.504 19.637 16.457 95 HB3 CYS 13 HB1 CYS 13 11.515 20.335 17.761 96 H CYS 14 HN CYS 14 14.625 19.068 20.341 97 HA CYS 14 HA CYS 14 14.630 16.450 19.084 98 HB2 CYS 14 HB2 CYS 14 15.433 17.159 21.935 99 HB3 CYS 14 HB1 CYS 14 15.752 15.648 20.993 Start of MODEL 17 1 H1 CYS 1 HT1 CYS 1 11.457 18.973 12.400 2 H2 CYS 1 HT2 CYS 1 12.191 17.767 13.277 3 H3 CYS 1 HT3 CYS 1 12.551 17.956 11.644 4 HA CYS 1 HA CYS 1 13.427 20.218 12.214 5 HB2 CYS 1 HB2 CYS 1 12.161 20.221 14.403 6 HB3 CYS 1 HB1 CYS 1 13.338 19.070 15.048 7 H ASN 2 HN ASN 2 15.694 20.589 12.680 8 HA ASN 2 HA ASN 2 17.094 18.213 11.600 9 HB2 ASN 2 HB2 ASN 2 18.962 20.339 11.572 10 HB3 ASN 2 HB1 ASN 2 18.112 19.613 10.228 11 HD21 ASN 2 HD21 ASN 2 17.507 22.151 12.849 12 HD22 ASN 2 HD22 ASN 2 16.860 23.228 11.665 13 H CYS 3 HN CYS 3 16.575 17.476 13.952 14 HA CYS 3 HA CYS 3 18.854 18.096 15.676 15 HB2 CYS 3 HB2 CYS 3 16.696 17.912 16.817 16 HB3 CYS 3 HB1 CYS 3 16.429 16.333 16.115 17 H SER 4 HN SER 4 20.227 17.227 13.697 18 HA SER 4 HA SER 4 20.586 14.356 14.025 19 HB2 SER 4 HB2 SER 4 20.694 15.463 11.780 20 HB3 SER 4 HB1 SER 4 22.259 16.170 12.282 21 HG SER 4 HG SER 4 22.397 14.113 11.165 22 H ARG 5 HN ARG 5 23.386 14.228 13.777 23 HA ARG 5 HA ARG 5 24.096 14.424 16.471 24 HB2 ARG 5 HB2 ARG 5 24.954 12.698 14.933 25 HB3 ARG 5 HB1 ARG 5 25.855 13.934 14.029 26 HG2 ARG 5 HG2 ARG 5 27.061 14.480 16.284 27 HG3 ARG 5 HG1 ARG 5 26.250 13.036 16.959 28 HD2 ARG 5 HD2 ARG 5 28.253 13.111 14.609 29 HD3 ARG 5 HD1 ARG 5 28.609 12.599 16.296 30 HE ARG 5 HE ARG 5 26.681 10.846 15.899 31 HH11 ARG 5 HH11 ARG 5 28.191 12.057 12.925 32 HH12 ARG 5 HH12 ARG 5 28.412 10.468 12.268 33 HH21 ARG 5 HH21 ARG 5 26.945 8.789 15.000 34 HH22 ARG 5 HH22 ARG 5 27.378 8.664 13.323 35 H TRP 6 HN TRP 6 24.929 16.563 13.720 36 HA TRP 6 HA TRP 6 26.520 18.209 15.505 37 HB2 TRP 6 HB2 TRP 6 26.539 17.715 12.629 38 HB3 TRP 6 HB1 TRP 6 26.481 19.459 13.036 39 HD1 TRP 6 HD1 TRP 6 29.184 17.056 12.500 40 HE1 TRP 6 HE1 TRP 6 31.275 18.413 13.127 41 HE3 TRP 6 HE3 TRP 6 27.008 20.666 15.286 42 HZ2 TRP 6 HZ2 TRP 6 31.960 20.506 14.891 43 HZ3 TRP 6 HZ3 TRP 6 28.417 22.327 16.407 44 HH2 TRP 6 HH2 TRP 6 30.848 22.253 16.216 45 H ALA 7 HN ALA 7 24.240 18.603 16.775 46 HA ALA 7 HA ALA 7 22.573 20.500 15.404 47 HB1 ALA 7 HB1 ALA 7 22.428 19.206 18.150 48 HB2 ALA 7 HB2 ALA 7 21.597 18.684 16.633 49 HB3 ALA 7 HB3 ALA 7 21.164 20.264 17.376 50 H ARG 8 HN ARG 8 24.159 22.184 15.104 51 HA ARG 8 HA ARG 8 25.199 23.532 17.453 52 HB2 ARG 8 HB2 ARG 8 26.537 24.750 16.060 53 HB3 ARG 8 HB1 ARG 8 26.563 23.031 15.545 54 HG2 ARG 8 HG2 ARG 8 25.599 23.462 13.464 55 HG3 ARG 8 HG1 ARG 8 24.768 24.954 13.971 56 HD2 ARG 8 HD2 ARG 8 27.777 24.750 14.138 57 HD3 ARG 8 HD1 ARG 8 27.007 25.203 12.518 58 HE ARG 8 HE ARG 8 25.708 26.895 14.255 59 HH11 ARG 8 HH21 ARG 8 29.257 26.535 13.580 60 HH12 ARG 8 HH22 ARG 8 29.502 28.148 14.225 61 HH21 ARG 8 HH11 ARG 8 26.471 28.570 15.646 62 HH22 ARG 8 HH12 ARG 8 28.020 29.259 15.246 63 H ASP 9 HN ASP 9 22.828 23.810 15.028 64 HA ASP 9 HA ASP 9 22.257 26.510 15.093 65 HB2 ASP 9 HB2 ASP 9 21.691 24.760 13.352 66 HB3 ASP 9 HB1 ASP 9 20.345 24.198 14.399 67 H HIS 10 HN HIS 10 20.260 27.608 15.751 68 HA HIS 10 HA HIS 10 19.866 27.108 18.557 69 HB2 HIS 10 HB2 HIS 10 18.501 29.346 16.985 70 HB3 HIS 10 HB1 HIS 10 18.800 29.179 18.749 71 HD1 HIS 10 HD1 HIS 10 19.810 31.662 17.506 72 HD2 HIS 10 HD2 HIS 10 22.175 28.228 17.975 73 HE1 HIS 10 HE1 HIS 10 22.284 32.385 17.735 74 H SER 11 HN SER 11 18.308 26.112 15.721 75 HA SER 11 HA SER 11 15.728 25.731 16.915 76 HB2 SER 11 HB2 SER 11 15.208 24.489 14.816 77 HB3 SER 11 HB1 SER 11 15.821 26.146 14.544 78 HG SER 11 HG SER 11 17.762 25.350 13.948 79 H ARG 12 HN ARG 12 16.910 24.574 18.838 80 HA ARG 12 HA ARG 12 17.507 21.788 18.175 81 HB2 ARG 12 HB2 ARG 12 18.957 22.784 19.888 82 HB3 ARG 12 HB1 ARG 12 17.478 23.032 20.889 83 HG2 ARG 12 HG2 ARG 12 17.204 20.498 20.929 84 HG3 ARG 12 HG1 ARG 12 18.690 20.366 19.917 85 HD2 ARG 12 HD2 ARG 12 20.084 21.261 21.749 86 HD3 ARG 12 HD1 ARG 12 18.612 21.744 22.659 87 HE ARG 12 HE ARG 12 18.095 19.443 23.135 88 HH11 ARG 12 HH11 ARG 12 21.051 19.418 21.057 89 HH12 ARG 12 HH12 ARG 12 21.255 17.720 21.325 90 HH21 ARG 12 HH21 ARG 12 18.461 17.405 23.473 91 HH22 ARG 12 HH22 ARG 12 19.865 16.568 22.844 92 H CYS 13 HN CYS 13 15.344 21.118 17.449 93 HA CYS 13 HA CYS 13 13.223 21.210 19.426 94 HB2 CYS 13 HB2 CYS 13 12.847 19.843 16.770 95 HB3 CYS 13 HB1 CYS 13 11.715 20.782 17.761 96 H CYS 14 HN CYS 14 15.486 19.419 20.065 97 HA CYS 14 HA CYS 14 15.049 16.937 18.873 98 HB2 CYS 14 HB2 CYS 14 16.622 17.513 21.417 99 HB3 CYS 14 HB1 CYS 14 16.689 16.044 20.366 Start of MODEL 18 1 H1 CYS 1 HT1 CYS 1 16.070 15.403 11.492 2 H2 CYS 1 HT2 CYS 1 14.481 15.357 11.990 3 H3 CYS 1 HT3 CYS 1 15.711 15.434 13.127 4 HA CYS 1 HA CYS 1 15.311 17.576 11.180 5 HB2 CYS 1 HB2 CYS 1 13.324 17.151 12.840 6 HB3 CYS 1 HB1 CYS 1 14.373 17.767 14.100 7 H ASN 2 HN ASN 2 15.808 19.335 13.544 8 HA ASN 2 HA ASN 2 18.762 19.184 13.287 9 HB2 ASN 2 HB2 ASN 2 17.662 21.497 14.840 10 HB3 ASN 2 HB1 ASN 2 19.065 21.332 13.786 11 HD21 ASN 2 HD21 ASN 2 17.555 23.672 13.423 12 HD22 ASN 2 HD22 ASN 2 16.443 23.465 12.146 13 H CYS 3 HN CYS 3 16.745 17.748 15.361 14 HA CYS 3 HA CYS 3 18.585 17.923 17.600 15 HB2 CYS 3 HB2 CYS 3 16.118 17.682 17.938 16 HB3 CYS 3 HB1 CYS 3 16.189 16.095 17.125 17 H SER 4 HN SER 4 19.388 17.099 14.849 18 HA SER 4 HA SER 4 20.205 14.338 15.094 19 HB2 SER 4 HB2 SER 4 19.357 15.273 12.963 20 HB3 SER 4 HB1 SER 4 20.731 16.406 12.895 21 HG SER 4 HG SER 4 21.103 14.639 11.675 22 H ARG 5 HN ARG 5 22.732 14.259 14.149 23 HA ARG 5 HA ARG 5 24.270 15.313 16.253 24 HB2 ARG 5 HB2 ARG 5 24.821 13.179 15.175 25 HB3 ARG 5 HB1 ARG 5 25.090 13.977 13.606 26 HG2 ARG 5 HG2 ARG 5 26.980 15.286 14.616 27 HG3 ARG 5 HG1 ARG 5 26.718 14.444 16.187 28 HD2 ARG 5 HD2 ARG 5 27.373 12.272 15.159 29 HD3 ARG 5 HD1 ARG 5 27.533 13.096 13.538 30 HE ARG 5 HE ARG 5 29.079 14.635 15.358 31 HH11 ARG 5 HH21 ARG 5 29.215 11.536 13.650 32 HH12 ARG 5 HH22 ARG 5 30.929 11.433 13.714 33 HH21 ARG 5 HH11 ARG 5 31.343 14.399 15.636 34 HH22 ARG 5 HH12 ARG 5 32.137 13.034 14.947 35 H TRP 6 HN TRP 6 23.776 16.383 12.902 36 HA TRP 6 HA TRP 6 25.477 18.637 13.176 37 HB2 TRP 6 HB2 TRP 6 23.690 17.532 11.002 38 HB3 TRP 6 HB1 TRP 6 23.904 19.291 11.050 39 HD1 TRP 6 HD1 TRP 6 25.896 16.514 9.582 40 HE1 TRP 6 HE1 TRP 6 28.114 17.598 8.812 41 HE3 TRP 6 HE3 TRP 6 25.537 20.855 12.119 42 HZ2 TRP 6 HZ2 TRP 6 29.351 20.137 9.012 43 HZ3 TRP 6 HZ3 TRP 6 27.198 22.641 11.689 44 HH2 TRP 6 HH2 TRP 6 29.042 22.284 10.143 45 H ALA 7 HN ALA 7 24.088 18.827 15.478 46 HA ALA 7 HA ALA 7 22.077 20.866 15.015 47 HB1 ALA 7 HB1 ALA 7 21.688 19.162 16.710 48 HB2 ALA 7 HB2 ALA 7 21.768 20.819 17.406 49 HB3 ALA 7 HB3 ALA 7 23.172 19.689 17.610 50 H ARG 8 HN ARG 8 23.312 22.591 14.030 51 HA ARG 8 HA ARG 8 25.715 23.574 15.261 52 HB2 ARG 8 HB2 ARG 8 25.841 23.743 12.995 53 HB3 ARG 8 HB1 ARG 8 24.089 23.852 12.753 54 HG2 ARG 8 HG2 ARG 8 23.998 26.174 13.398 55 HG3 ARG 8 HG1 ARG 8 25.791 26.206 13.701 56 HD2 ARG 8 HD2 ARG 8 26.080 25.304 11.379 57 HD3 ARG 8 HD1 ARG 8 24.304 25.555 11.044 58 HE ARG 8 HE ARG 8 25.271 28.047 12.088 59 HH11 ARG 8 HH21 ARG 8 25.508 26.140 9.075 60 HH12 ARG 8 HH22 ARG 8 25.652 27.584 8.124 61 HH21 ARG 8 HH11 ARG 8 25.139 29.785 10.805 62 HH22 ARG 8 HH12 ARG 8 24.990 29.633 9.064 63 H ASP 9 HN ASP 9 22.361 24.556 14.761 64 HA ASP 9 HA ASP 9 22.830 26.944 16.342 65 HB2 ASP 9 HB2 ASP 9 21.659 26.969 14.086 66 HB3 ASP 9 HB1 ASP 9 20.305 26.061 14.840 67 H HIS 10 HN HIS 10 21.348 27.564 18.068 68 HA HIS 10 HA HIS 10 20.817 25.473 19.858 69 HB2 HIS 10 HB2 HIS 10 19.629 28.288 20.113 70 HB3 HIS 10 HB1 HIS 10 20.020 27.099 21.399 71 HD1 HIS 10 HD1 HIS 10 22.938 26.433 20.833 72 HD2 HIS 10 HD2 HIS 10 21.281 30.289 20.742 73 HE1 HIS 10 HE1 HIS 10 24.685 28.109 21.779 74 H SER 11 HN SER 11 18.736 26.836 17.393 75 HA SER 11 HA SER 11 16.329 26.165 18.754 76 HB2 SER 11 HB2 SER 11 15.186 26.925 16.712 77 HB3 SER 11 HB1 SER 11 16.335 28.122 17.369 78 HG SER 11 HG SER 11 17.758 27.649 15.754 79 H ARG 12 HN ARG 12 17.143 23.866 19.022 80 HA ARG 12 HA ARG 12 16.948 22.293 16.633 81 HB2 ARG 12 HB2 ARG 12 17.130 20.994 19.374 82 HB3 ARG 12 HB1 ARG 12 17.668 20.357 17.824 83 HG2 ARG 12 HG2 ARG 12 19.665 21.866 17.822 84 HG3 ARG 12 HG1 ARG 12 18.957 22.786 19.188 85 HD2 ARG 12 HD2 ARG 12 18.950 20.677 20.535 86 HD3 ARG 12 HD1 ARG 12 19.953 19.869 19.256 87 HE ARG 12 HE ARG 12 21.520 22.032 19.694 88 HH11 ARG 12 HH21 ARG 12 19.956 19.863 22.050 89 HH12 ARG 12 HH22 ARG 12 20.994 20.412 23.353 90 HH21 ARG 12 HH11 ARG 12 22.746 22.793 21.507 91 HH22 ARG 12 HH12 ARG 12 22.592 21.876 23.007 92 H CYS 13 HN CYS 13 15.426 20.393 16.278 93 HA CYS 13 HA CYS 13 12.864 21.383 16.888 94 HB2 CYS 13 HB2 CYS 13 13.489 18.810 15.392 95 HB3 CYS 13 HB1 CYS 13 12.106 19.918 15.194 96 H CYS 14 HN CYS 14 14.714 19.312 18.693 97 HA CYS 14 HA CYS 14 12.893 17.174 19.138 98 HB2 CYS 14 HB2 CYS 14 15.431 18.122 20.513 99 HB3 CYS 14 HB1 CYS 14 14.285 17.231 21.488 Start of MODEL 19 1 H1 CYS 1 HT1 CYS 1 12.530 17.933 11.983 2 H2 CYS 1 HT2 CYS 1 11.647 18.687 13.218 3 H3 CYS 1 HT3 CYS 1 12.683 17.403 13.560 4 HA CYS 1 HA CYS 1 13.474 20.095 12.626 5 HB2 CYS 1 HB2 CYS 1 12.681 19.773 15.053 6 HB3 CYS 1 HB1 CYS 1 14.014 18.657 15.294 7 H ASN 2 HN ASN 2 15.766 20.412 12.370 8 HA ASN 2 HA ASN 2 17.095 17.899 11.490 9 HB2 ASN 2 HB2 ASN 2 18.633 20.517 11.257 10 HB3 ASN 2 HB1 ASN 2 18.827 18.957 10.510 11 HD21 ASN 2 HD21 ASN 2 16.374 21.704 10.562 12 HD22 ASN 2 HD22 ASN 2 16.325 21.627 8.828 13 H CYS 3 HN CYS 3 16.708 17.353 13.880 14 HA CYS 3 HA CYS 3 18.873 18.216 15.595 15 HB2 CYS 3 HB2 CYS 3 16.590 17.912 16.508 16 HB3 CYS 3 HB1 CYS 3 16.662 16.188 16.128 17 H SER 4 HN SER 4 20.105 17.387 13.559 18 HA SER 4 HA SER 4 20.887 14.667 13.568 19 HB2 SER 4 HB2 SER 4 22.321 17.095 12.340 20 HB3 SER 4 HB1 SER 4 22.426 15.390 11.792 21 HG SER 4 HG SER 4 20.979 16.745 10.578 22 H ARG 5 HN ARG 5 23.552 14.330 13.783 23 HA ARG 5 HA ARG 5 23.797 14.710 16.493 24 HB2 ARG 5 HB2 ARG 5 24.619 12.767 15.358 25 HB3 ARG 5 HB1 ARG 5 25.841 13.712 14.457 26 HG2 ARG 5 HG2 ARG 5 26.921 14.308 16.671 27 HG3 ARG 5 HG1 ARG 5 25.723 13.269 17.512 28 HD2 ARG 5 HD2 ARG 5 26.593 11.248 16.280 29 HD3 ARG 5 HD1 ARG 5 27.758 12.338 15.400 30 HE ARG 5 HE ARG 5 27.783 12.500 18.390 31 HH11 ARG 5 HH11 ARG 5 29.146 10.716 15.618 32 HH12 ARG 5 HH12 ARG 5 30.748 10.665 16.284 33 HH21 ARG 5 HH21 ARG 5 29.971 12.334 19.282 34 HH22 ARG 5 HH22 ARG 5 31.044 11.203 18.507 35 H TRP 6 HN TRP 6 25.558 16.453 13.886 36 HA TRP 6 HA TRP 6 26.536 18.344 15.816 37 HB2 TRP 6 HB2 TRP 6 27.073 17.837 12.963 38 HB3 TRP 6 HB1 TRP 6 26.786 19.563 13.325 39 HD1 TRP 6 HD1 TRP 6 29.740 17.322 13.503 40 HE1 TRP 6 HE1 TRP 6 31.544 18.616 14.835 41 HE3 TRP 6 HE3 TRP 6 26.803 20.856 15.550 42 HZ2 TRP 6 HZ2 TRP 6 31.721 21.123 16.169 43 HZ3 TRP 6 HZ3 TRP 6 27.808 22.657 16.876 44 HH2 TRP 6 HH2 TRP 6 30.238 22.784 17.185 45 H ALA 7 HN ALA 7 24.059 18.402 16.656 46 HA ALA 7 HA ALA 7 22.468 20.259 15.239 47 HB1 ALA 7 HB1 ALA 7 21.453 18.639 16.685 48 HB2 ALA 7 HB2 ALA 7 21.098 20.308 17.245 49 HB3 ALA 7 HB3 ALA 7 22.329 19.301 18.120 50 H ARG 8 HN ARG 8 23.946 21.965 14.778 51 HA ARG 8 HA ARG 8 25.262 23.312 16.953 52 HB2 ARG 8 HB2 ARG 8 26.608 24.273 15.399 53 HB3 ARG 8 HB1 ARG 8 26.106 22.714 14.663 54 HG2 ARG 8 HG2 ARG 8 24.533 23.862 13.173 55 HG3 ARG 8 HG1 ARG 8 24.976 25.467 13.844 56 HD2 ARG 8 HD2 ARG 8 27.087 23.481 12.992 57 HD3 ARG 8 HD1 ARG 8 26.307 24.492 11.682 58 HE ARG 8 HE ARG 8 27.059 26.526 12.973 59 HH11 ARG 8 HH11 ARG 8 28.872 23.532 13.641 60 HH12 ARG 8 HH12 ARG 8 30.100 24.362 14.564 61 HH21 ARG 8 HH21 ARG 8 29.028 27.479 13.434 62 HH22 ARG 8 HH22 ARG 8 30.292 26.624 14.208 63 H ASP 9 HN ASP 9 22.464 23.710 15.016 64 HA ASP 9 HA ASP 9 22.255 26.535 15.197 65 HB2 ASP 9 HB2 ASP 9 20.113 24.496 14.368 66 HB3 ASP 9 HB1 ASP 9 20.138 26.256 13.963 67 H HIS 10 HN HIS 10 20.334 27.686 16.026 68 HA HIS 10 HA HIS 10 19.914 27.064 18.752 69 HB2 HIS 10 HB2 HIS 10 18.293 29.116 17.142 70 HB3 HIS 10 HB1 HIS 10 18.464 28.962 18.911 71 HD1 HIS 10 HD1 HIS 10 19.242 31.586 17.748 72 HD2 HIS 10 HD2 HIS 10 21.952 28.478 18.520 73 HE1 HIS 10 HE1 HIS 10 21.503 32.621 18.515 74 H SER 11 HN SER 11 18.091 26.381 15.868 75 HA SER 11 HA SER 11 15.694 25.555 16.988 76 HB2 SER 11 HB2 SER 11 17.142 24.533 14.480 77 HB3 SER 11 HB1 SER 11 15.399 24.313 14.868 78 HG SER 11 HG SER 11 16.813 26.647 14.185 79 H ARG 12 HN ARG 12 16.732 24.458 18.930 80 HA ARG 12 HA ARG 12 17.636 21.725 18.332 81 HB2 ARG 12 HB2 ARG 12 19.009 23.074 19.891 82 HB3 ARG 12 HB1 ARG 12 17.609 23.036 21.017 83 HG2 ARG 12 HG2 ARG 12 17.933 20.505 21.132 84 HG3 ARG 12 HG1 ARG 12 19.097 20.632 19.770 85 HD2 ARG 12 HD2 ARG 12 20.560 22.106 21.278 86 HD3 ARG 12 HD1 ARG 12 19.477 21.640 22.657 87 HE ARG 12 HE ARG 12 20.065 19.166 21.686 88 HH11 ARG 12 HH21 ARG 12 22.218 21.826 22.757 89 HH12 ARG 12 HH22 ARG 12 23.570 20.756 22.803 90 HH21 ARG 12 HH11 ARG 12 22.037 17.873 21.756 91 HH22 ARG 12 HH12 ARG 12 23.477 18.693 22.297 92 H CYS 13 HN CYS 13 15.232 21.621 17.580 93 HA CYS 13 HA CYS 13 13.215 21.752 19.454 94 HB2 CYS 13 HB2 CYS 13 12.673 20.205 16.923 95 HB3 CYS 13 HB1 CYS 13 11.734 21.517 17.699 96 H CYS 14 HN CYS 14 15.278 19.490 19.868 97 HA CYS 14 HA CYS 14 14.483 17.235 18.618 98 HB2 CYS 14 HB2 CYS 14 16.118 17.346 21.179 99 HB3 CYS 14 HB1 CYS 14 16.197 16.100 19.886
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