NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583723 | 2mm6 | 19847 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 9.790 1.223 3.223 2 HA CYS 1 HA CYS 1 7.914 3.145 2.018 3 HB2 CYS 1 2HB CYS 1 9.459 1.347 0.251 4 HB3 CYS 1 3HB CYS 1 9.093 3.060 0.076 5 H ARG 2 H ARG 2 7.172 1.753 -0.222 6 HA ARG 2 HA ARG 2 5.543 -0.398 0.942 7 HB2 ARG 2 2HB ARG 2 4.143 -0.027 -1.163 8 HB3 ARG 2 3HB ARG 2 4.117 1.247 0.049 9 HG2 ARG 2 2HG ARG 2 5.445 2.668 -1.241 10 HG3 ARG 2 3HG ARG 2 5.995 1.352 -2.281 11 HD2 ARG 2 2HD ARG 2 4.094 1.367 -3.537 12 HD3 ARG 2 3HD ARG 2 3.083 1.902 -2.195 13 HE ARG 2 HE ARG 2 4.389 3.553 -4.127 14 HH11 ARG 2 1HH1 ARG 2 3.265 3.419 -0.835 15 HH12 ARG 2 2HH1 ARG 2 3.072 5.135 -0.693 16 HH21 ARG 2 1HH2 ARG 2 4.140 5.813 -3.953 17 HH22 ARG 2 2HH2 ARG 2 3.569 6.496 -2.468 18 HA PRO 3 HA PRO 3 7.467 -3.507 -1.487 19 HB2 PRO 3 2HB PRO 3 5.372 -5.152 -2.006 20 HB3 PRO 3 3HB PRO 3 6.117 -5.020 -0.409 21 HG2 PRO 3 2HG PRO 3 3.621 -3.733 -1.447 22 HG3 PRO 3 3HG PRO 3 3.915 -4.496 0.126 23 HD2 PRO 3 2HD PRO 3 3.956 -1.811 -0.221 24 HD3 PRO 3 3HD PRO 3 4.982 -2.635 0.970 25 H TYR 4 H TYR 4 6.642 -4.993 -3.547 26 HA TYR 4 HA TYR 4 6.593 -3.099 -5.719 27 HB2 TYR 4 2HB TYR 4 7.106 -4.921 -7.133 28 HB3 TYR 4 3HB TYR 4 7.969 -5.248 -5.635 29 HD1 TYR 4 HD1 TYR 4 6.891 -6.861 -3.970 30 HD2 TYR 4 HD2 TYR 4 5.611 -6.495 -8.011 31 HE1 TYR 4 HE1 TYR 4 5.810 -9.066 -3.821 32 HE2 TYR 4 HE2 TYR 4 4.526 -8.698 -7.873 33 HH TYR 4 HH TYR 4 3.952 -10.286 -4.968 34 H GLY 5 H GLY 5 5.205 -4.305 -7.708 35 HA2 GLY 5 2HA GLY 5 3.090 -4.301 -8.612 36 HA3 GLY 5 3HA GLY 5 2.693 -5.329 -7.242 37 H TYR 6 H TYR 6 3.764 -2.021 -6.871 38 HA TYR 6 HA TYR 6 1.027 -1.283 -6.065 39 HB2 TYR 6 2HB TYR 6 3.514 -1.169 -4.582 40 HB3 TYR 6 3HB TYR 6 2.777 0.424 -4.706 41 HD1 TYR 6 HD2 TYR 6 1.704 -3.094 -4.013 42 HD2 TYR 6 HD1 TYR 6 1.347 1.024 -3.005 43 HE1 TYR 6 HE2 TYR 6 0.150 -3.679 -2.198 44 HE2 TYR 6 HE1 TYR 6 -0.207 0.450 -1.186 45 HH TYR 6 HH TYR 6 -0.491 -2.220 0.215 46 H ARG 7 H ARG 7 0.540 1.031 -6.214 47 HA ARG 7 HA ARG 7 1.625 2.130 -8.676 48 HB2 ARG 7 2HB ARG 7 -0.789 2.109 -8.418 49 HB3 ARG 7 3HB ARG 7 -0.666 3.018 -6.917 50 HG2 ARG 7 2HG ARG 7 -1.364 4.464 -8.720 51 HG3 ARG 7 3HG ARG 7 0.245 4.926 -8.161 52 HD2 ARG 7 2HD ARG 7 1.227 4.360 -10.113 53 HD3 ARG 7 3HD ARG 7 0.178 2.963 -10.354 54 HE ARG 7 HE ARG 7 -0.184 5.583 -11.424 55 HH11 ARG 7 1HH1 ARG 7 -1.870 2.750 -10.307 56 HH12 ARG 7 2HH1 ARG 7 -3.275 3.044 -11.277 57 HH21 ARG 7 1HH2 ARG 7 -2.028 5.981 -12.706 58 HH22 ARG 7 2HH2 ARG 7 -3.363 4.882 -12.641 59 H CYS 8 H CYS 8 3.074 3.716 -8.777 60 HA CYS 8 HA CYS 8 3.409 5.501 -6.474 61 HB2 CYS 8 2HB CYS 8 5.962 5.303 -7.029 62 HB3 CYS 8 3HB CYS 8 5.190 4.096 -6.004 63 H ASP 9 H ASP 9 4.677 7.450 -7.008 64 HA ASP 9 HA ASP 9 5.029 8.109 -9.795 65 HB2 ASP 9 2HB ASP 9 3.508 10.077 -9.709 66 HB3 ASP 9 3HB ASP 9 2.655 8.539 -9.606 67 H GLY 10 H GLY 10 4.912 9.246 -6.446 68 HA2 GLY 10 2HA GLY 10 6.311 11.614 -6.648 69 HA3 GLY 10 3HA GLY 10 6.392 10.542 -5.257 70 H VAL 11 H VAL 11 8.500 12.195 -6.336 71 HA VAL 11 HA VAL 11 10.367 10.211 -7.427 72 HB VAL 11 HB VAL 11 10.225 12.319 -8.658 73 HG11 VAL 11 1HG1 VAL 11 11.209 13.624 -6.122 74 HG12 VAL 11 2HG1 VAL 11 10.935 14.420 -7.673 75 HG13 VAL 11 3HG1 VAL 11 9.574 13.754 -6.771 76 HG21 VAL 11 3HG2 VAL 11 12.858 12.158 -7.200 77 HG22 VAL 11 1HG2 VAL 11 12.372 11.053 -8.484 78 HG23 VAL 11 2HG2 VAL 11 12.570 12.771 -8.828 79 H ILE 12 H ILE 12 9.864 12.376 -4.703 80 HA ILE 12 HA ILE 12 12.409 11.813 -3.495 81 HB ILE 12 HB ILE 12 11.535 13.026 -1.545 82 HG12 ILE 12 2HG1 ILE 12 9.173 14.172 -2.316 83 HG13 ILE 12 3HG1 ILE 12 8.987 12.535 -2.936 84 HG21 ILE 12 1HG2 ILE 12 12.066 14.037 -4.079 85 HG22 ILE 12 2HG2 ILE 12 10.621 14.895 -3.549 86 HG23 ILE 12 3HG2 ILE 12 12.080 14.930 -2.558 87 HD11 ILE 12 3HD1 ILE 12 9.177 13.497 -0.136 88 HD12 ILE 12 1HD1 ILE 12 8.104 12.294 -0.852 89 HD13 ILE 12 2HD1 ILE 12 9.788 11.888 -0.521 90 H ASN 13 H ASN 13 9.128 10.601 -3.195 91 HA ASN 13 HA ASN 13 10.149 8.459 -1.461 92 HB2 ASN 13 2HB ASN 13 8.898 10.089 -0.084 93 HB3 ASN 13 3HB ASN 13 7.488 9.857 -1.114 94 HD21 ASN 13 1HD2 ASN 13 6.242 8.054 -0.879 95 HD22 ASN 13 2HD2 ASN 13 6.458 6.910 0.396 96 H GLN 14 H GLN 14 9.459 6.436 -1.948 97 HA GLN 14 HA GLN 14 7.103 5.805 -3.348 98 HB2 GLN 14 2HB GLN 14 8.005 5.156 -5.516 99 HB3 GLN 14 3HB GLN 14 8.273 6.871 -5.232 100 HG2 GLN 14 2HG GLN 14 10.541 6.623 -5.015 101 HG3 GLN 14 3HG GLN 14 10.419 4.935 -4.522 102 HE21 GLN 14 1HE2 GLN 14 9.566 6.957 -7.314 103 HE22 GLN 14 2HE2 GLN 14 10.146 5.849 -8.507 104 H CYS 15 H CYS 15 7.750 3.484 -4.625 105 HA CYS 15 HA CYS 15 7.923 1.616 -2.619 106 HB2 CYS 15 2HB CYS 15 8.635 1.420 -5.543 107 HB3 CYS 15 3HB CYS 15 8.665 0.022 -4.474 108 H CYS 16 H CYS 16 9.548 0.283 -1.796 109 HA CYS 16 HA CYS 16 12.167 1.522 -1.712 110 HB2 CYS 16 2HB CYS 16 10.611 -0.183 0.010 111 HB3 CYS 16 3HB CYS 16 12.203 -0.888 -0.252 112 H ASP 17 H ASP 17 13.819 -0.643 -1.286 113 HA ASP 17 HA ASP 17 13.944 -1.791 -3.986 114 HB2 ASP 17 2HB ASP 17 16.360 -2.375 -2.849 115 HB3 ASP 17 3HB ASP 17 16.029 -0.944 -3.822 116 HA PRO 18 HA PRO 18 15.929 -3.311 -4.521 117 HB2 PRO 18 2HB PRO 18 15.473 -5.461 -6.113 118 HB3 PRO 18 3HB PRO 18 16.625 -5.486 -4.772 119 HG2 PRO 18 2HG PRO 18 13.813 -6.511 -4.874 120 HG3 PRO 18 3HG PRO 18 15.253 -7.262 -4.161 121 HD2 PRO 18 2HD PRO 18 13.403 -5.958 -2.675 122 HD3 PRO 18 3HD PRO 18 15.125 -5.985 -2.247 123 H TYR 19 H TYR 19 12.569 -3.929 -4.376 124 HA TYR 19 HA TYR 19 11.608 -3.743 -6.907 125 HB2 TYR 19 2HB TYR 19 10.464 -2.073 -4.669 126 HB3 TYR 19 3HB TYR 19 9.605 -2.812 -6.017 127 HD1 TYR 19 HD2 TYR 19 10.903 -5.544 -5.881 128 HD2 TYR 19 HD1 TYR 19 9.290 -3.027 -2.855 129 HE1 TYR 19 HE2 TYR 19 10.430 -7.521 -4.498 130 HE2 TYR 19 HE1 TYR 19 8.812 -4.997 -1.463 131 HH TYR 19 HH TYR 19 8.900 -7.206 -1.305 132 H HIS 20 H HIS 20 10.898 -2.012 -8.261 133 HA HIS 20 HA HIS 20 11.969 0.642 -7.764 134 HB2 HIS 20 2HB HIS 20 13.054 0.659 -10.058 135 HB3 HIS 20 3HB HIS 20 13.882 -0.287 -8.824 136 HD1 HIS 20 HD1 HIS 20 12.227 -0.561 -12.112 137 HD2 HIS 20 HD2 HIS 20 13.663 -3.118 -9.168 138 HE1 HIS 20 HE1 HIS 20 12.351 -2.828 -13.192 139 H CYS 21 H CYS 21 10.634 2.165 -8.519 140 HA CYS 21 HA CYS 21 8.191 1.428 -9.779 141 HB2 CYS 21 2HB CYS 21 9.431 4.111 -9.158 142 HB3 CYS 21 3HB CYS 21 7.837 3.933 -9.883 143 H THR 22 H THR 22 7.993 0.934 -11.853 144 HA THR 22 HA THR 22 9.602 2.436 -13.816 145 HB THR 22 HB THR 22 8.717 -0.452 -13.945 146 HG1 THR 22 HG1 THR 22 11.298 0.762 -13.876 147 HG21 THR 22 3HG2 THR 22 10.258 -0.281 -16.069 148 HG22 THR 22 1HG2 THR 22 9.764 1.411 -16.028 149 HG23 THR 22 2HG2 THR 22 8.549 0.139 -16.162 150 HA PRO 23 HA PRO 23 9.638 3.563 -15.387 151 HB2 PRO 23 2HB PRO 23 8.775 6.104 -15.801 152 HB3 PRO 23 3HB PRO 23 8.752 4.866 -17.061 153 HG2 PRO 23 2HG PRO 23 6.523 5.829 -15.311 154 HG3 PRO 23 3HG PRO 23 6.507 5.472 -17.048 155 HD2 PRO 23 2HD PRO 23 5.547 3.745 -15.198 156 HD3 PRO 23 3HD PRO 23 6.306 3.201 -16.708 157 HA PRO 24 HA PRO 24 10.543 5.390 -11.492 158 HB2 PRO 24 2HB PRO 24 12.296 7.362 -12.133 159 HB3 PRO 24 3HB PRO 24 12.712 5.646 -12.207 160 HG2 PRO 24 2HG PRO 24 11.904 7.496 -14.417 161 HG3 PRO 24 3HG PRO 24 13.188 6.273 -14.395 162 HD2 PRO 24 2HD PRO 24 10.782 5.838 -15.560 163 HD3 PRO 24 3HD PRO 24 11.719 4.541 -14.788 164 H LEU 25 H LEU 25 8.909 7.160 -13.863 165 HA LEU 25 HA LEU 25 8.599 9.546 -12.217 166 HB2 LEU 25 2HB LEU 25 8.875 9.438 -14.804 167 HB3 LEU 25 3HB LEU 25 7.151 9.070 -14.788 168 HG LEU 25 HG LEU 25 7.615 11.447 -15.220 169 HD11 LEU 25 1HD1 LEU 25 5.627 10.454 -13.799 170 HD12 LEU 25 2HD1 LEU 25 5.834 12.193 -14.005 171 HD13 LEU 25 3HD1 LEU 25 6.374 11.411 -12.520 172 HD21 LEU 25 3HD2 LEU 25 8.553 12.872 -13.542 173 HD22 LEU 25 1HD2 LEU 25 9.684 11.550 -13.834 174 HD23 LEU 25 2HD2 LEU 25 8.663 11.536 -12.396 175 H ILE 26 H ILE 26 6.611 6.953 -13.600 176 HA ILE 26 HA ILE 26 4.912 6.767 -11.377 177 HB ILE 26 HB ILE 26 4.032 8.921 -12.044 178 HG12 ILE 26 2HG1 ILE 26 2.140 6.680 -12.789 179 HG13 ILE 26 3HG1 ILE 26 2.453 7.258 -11.156 180 HG21 ILE 26 1HG2 ILE 26 3.851 9.568 -14.161 181 HG22 ILE 26 2HG2 ILE 26 4.527 8.013 -14.641 182 HG23 ILE 26 3HG2 ILE 26 2.779 8.218 -14.533 183 HD11 ILE 26 3HD1 ILE 26 1.138 8.776 -13.394 184 HD12 ILE 26 1HD1 ILE 26 0.378 8.162 -11.926 185 HD13 ILE 26 2HD1 ILE 26 1.561 9.467 -11.828 186 H GLY 27 H GLY 27 4.062 4.787 -11.432 187 HA2 GLY 27 2HA GLY 27 2.681 3.585 -13.495 188 HA3 GLY 27 3HA GLY 27 4.363 3.137 -13.740 189 H ILE 28 H ILE 28 4.740 1.161 -13.013 190 HA ILE 28 HA ILE 28 3.419 0.316 -10.516 191 HB ILE 28 HB ILE 28 4.446 -1.573 -12.623 192 HG12 ILE 28 2HG1 ILE 28 2.760 -0.165 -13.684 193 HG13 ILE 28 3HG1 ILE 28 2.110 -1.777 -13.407 194 HG21 ILE 28 1HG2 ILE 28 2.570 -2.962 -11.460 195 HG22 ILE 28 2HG2 ILE 28 4.146 -2.787 -10.690 196 HG23 ILE 28 3HG2 ILE 28 2.787 -1.799 -10.153 197 HD11 ILE 28 3HD1 ILE 28 0.352 -0.690 -12.575 198 HD12 ILE 28 1HD1 ILE 28 1.355 -0.484 -11.139 199 HD13 ILE 28 2HD1 ILE 28 1.261 0.803 -12.342 200 H CYS 29 H CYS 29 4.623 -1.087 -9.111 201 HA CYS 29 HA CYS 29 7.462 -0.425 -9.098 202 HB2 CYS 29 2HB CYS 29 5.778 -1.819 -7.005 203 HB3 CYS 29 3HB CYS 29 7.441 -1.280 -6.799 204 H LEU 30 H LEU 30 9.058 -1.832 -9.500 205 HA LEU 30 HA LEU 30 8.360 -4.682 -9.759 206 HB2 LEU 30 2HB LEU 30 9.775 -2.864 -11.629 207 HB3 LEU 30 3HB LEU 30 10.359 -4.522 -11.504 208 HG LEU 30 HG LEU 30 8.733 -4.045 -13.376 209 HD11 LEU 30 1HD1 LEU 30 7.611 -6.121 -11.545 210 HD12 LEU 30 2HD1 LEU 30 9.242 -6.299 -12.189 211 HD13 LEU 30 3HD1 LEU 30 7.869 -6.182 -13.289 212 HD21 LEU 30 3HD2 LEU 30 7.284 -2.664 -11.677 213 HD22 LEU 30 1HD2 LEU 30 6.553 -4.237 -11.355 214 HD23 LEU 30 2HD2 LEU 30 6.525 -3.570 -12.988 Start of MODEL 2 1 H1 CYS 1 H CYS 1 9.625 0.985 3.303 2 HA CYS 1 HA CYS 1 7.934 3.073 2.099 3 HB2 CYS 1 2HB CYS 1 9.501 1.361 0.260 4 HB3 CYS 1 3HB CYS 1 9.085 3.067 0.134 5 H ARG 2 H ARG 2 7.182 1.768 -0.188 6 HA ARG 2 HA ARG 2 5.586 -0.443 0.903 7 HB2 ARG 2 2HB ARG 2 4.155 -0.015 -1.153 8 HB3 ARG 2 3HB ARG 2 4.161 1.249 0.069 9 HG2 ARG 2 2HG ARG 2 5.429 2.687 -1.237 10 HG3 ARG 2 3HG ARG 2 6.025 1.381 -2.264 11 HD2 ARG 2 2HD ARG 2 4.473 2.325 -3.659 12 HD3 ARG 2 3HD ARG 2 3.478 1.115 -2.848 13 HE ARG 2 HE ARG 2 2.261 2.808 -1.917 14 HH11 ARG 2 1HH1 ARG 2 5.302 4.089 -3.027 15 HH12 ARG 2 2HH1 ARG 2 4.878 5.736 -2.695 16 HH21 ARG 2 1HH2 ARG 2 1.691 4.972 -1.478 17 HH22 ARG 2 2HH2 ARG 2 2.824 6.237 -1.813 18 HA PRO 3 HA PRO 3 7.573 -3.433 -1.624 19 HB2 PRO 3 2HB PRO 3 5.519 -5.141 -2.108 20 HB3 PRO 3 3HB PRO 3 6.309 -5.011 -0.533 21 HG2 PRO 3 2HG PRO 3 3.740 -3.793 -1.468 22 HG3 PRO 3 3HG PRO 3 4.109 -4.572 0.080 23 HD2 PRO 3 2HD PRO 3 4.049 -1.883 -0.218 24 HD3 PRO 3 3HD PRO 3 5.139 -2.692 0.925 25 H TYR 4 H TYR 4 6.749 -4.907 -3.688 26 HA TYR 4 HA TYR 4 6.591 -2.992 -5.826 27 HB2 TYR 4 2HB TYR 4 7.043 -4.804 -7.284 28 HB3 TYR 4 3HB TYR 4 7.979 -5.127 -5.829 29 HD1 TYR 4 HD2 TYR 4 7.016 -6.768 -4.131 30 HD2 TYR 4 HD1 TYR 4 5.503 -6.378 -8.089 31 HE1 TYR 4 HE2 TYR 4 5.967 -8.985 -3.942 32 HE2 TYR 4 HE1 TYR 4 4.448 -8.593 -7.910 33 HH TYR 4 HH TYR 4 3.901 -10.148 -5.109 34 H GLY 5 H GLY 5 5.140 -4.187 -7.783 35 HA2 GLY 5 2HA GLY 5 2.997 -4.178 -8.617 36 HA3 GLY 5 3HA GLY 5 2.645 -5.215 -7.242 37 H TYR 6 H TYR 6 3.734 -1.919 -6.858 38 HA TYR 6 HA TYR 6 1.021 -1.180 -5.976 39 HB2 TYR 6 2HB TYR 6 3.529 -1.121 -4.542 40 HB3 TYR 6 3HB TYR 6 2.844 0.497 -4.651 41 HD1 TYR 6 HD2 TYR 6 0.098 0.357 -4.292 42 HD2 TYR 6 HD1 TYR 6 3.032 -2.202 -2.576 43 HE1 TYR 6 HE2 TYR 6 -1.446 -0.168 -2.449 44 HE2 TYR 6 HE1 TYR 6 1.497 -2.735 -0.730 45 HH TYR 6 HH TYR 6 -1.278 -0.966 -0.078 46 H ARG 7 H ARG 7 0.491 1.098 -6.140 47 HA ARG 7 HA ARG 7 1.505 2.229 -8.604 48 HB2 ARG 7 2HB ARG 7 -0.893 2.249 -8.221 49 HB3 ARG 7 3HB ARG 7 -0.676 3.143 -6.722 50 HG2 ARG 7 2HG ARG 7 -1.419 4.666 -8.396 51 HG3 ARG 7 3HG ARG 7 0.277 5.017 -8.054 52 HD2 ARG 7 2HD ARG 7 0.874 4.592 -10.158 53 HD3 ARG 7 3HD ARG 7 0.000 3.061 -10.165 54 HE ARG 7 HE ARG 7 -0.907 5.582 -11.211 55 HH11 ARG 7 1HH1 ARG 7 -1.869 2.466 -9.991 56 HH12 ARG 7 2HH1 ARG 7 -3.397 2.473 -10.808 57 HH21 ARG 7 1HH2 ARG 7 -2.915 5.603 -12.292 58 HH22 ARG 7 2HH2 ARG 7 -3.990 4.257 -12.117 59 H CYS 8 H CYS 8 2.987 3.777 -8.759 60 HA CYS 8 HA CYS 8 3.406 5.631 -6.545 61 HB2 CYS 8 2HB CYS 8 5.940 5.258 -6.865 62 HB3 CYS 8 3HB CYS 8 5.041 4.072 -5.924 63 H ASP 9 H ASP 9 4.833 7.447 -7.159 64 HA ASP 9 HA ASP 9 5.403 7.875 -9.942 65 HB2 ASP 9 2HB ASP 9 3.937 9.867 -10.175 66 HB3 ASP 9 3HB ASP 9 3.030 8.367 -10.001 67 H GLY 10 H GLY 10 5.008 9.309 -6.730 68 HA2 GLY 10 2HA GLY 10 6.500 11.613 -7.008 69 HA3 GLY 10 3HA GLY 10 6.402 10.679 -5.523 70 H VAL 11 H VAL 11 8.681 12.105 -6.223 71 HA VAL 11 HA VAL 11 10.574 9.996 -7.024 72 HB VAL 11 HB VAL 11 10.690 11.938 -8.473 73 HG11 VAL 11 1HG1 VAL 11 11.332 13.544 -6.002 74 HG12 VAL 11 2HG1 VAL 11 11.252 14.143 -7.661 75 HG13 VAL 11 3HG1 VAL 11 9.789 13.573 -6.855 76 HG21 VAL 11 3HG2 VAL 11 13.060 12.452 -8.255 77 HG22 VAL 11 1HG2 VAL 11 13.054 11.840 -6.601 78 HG23 VAL 11 2HG2 VAL 11 12.767 10.740 -7.949 79 H ILE 12 H ILE 12 9.899 12.482 -4.621 80 HA ILE 12 HA ILE 12 12.249 12.078 -3.081 81 HB ILE 12 HB ILE 12 11.134 13.345 -1.328 82 HG12 ILE 12 2HG1 ILE 12 8.698 14.135 -2.402 83 HG13 ILE 12 3HG1 ILE 12 8.749 12.405 -2.717 84 HG21 ILE 12 1HG2 ILE 12 10.475 14.530 -4.019 85 HG22 ILE 12 2HG2 ILE 12 10.796 15.400 -2.520 86 HG23 ILE 12 3HG2 ILE 12 12.090 14.499 -3.311 87 HD11 ILE 12 3HD1 ILE 12 8.266 11.955 -0.609 88 HD12 ILE 12 1HD1 ILE 12 9.600 12.955 -0.033 89 HD13 ILE 12 2HD1 ILE 12 8.025 13.683 -0.351 90 H ASN 13 H ASN 13 9.223 10.420 -3.295 91 HA ASN 13 HA ASN 13 10.167 8.433 -1.405 92 HB2 ASN 13 2HB ASN 13 8.950 9.955 0.059 93 HB3 ASN 13 3HB ASN 13 7.547 9.892 -1.003 94 HD21 ASN 13 1HD2 ASN 13 9.705 7.703 0.769 95 HD22 ASN 13 2HD2 ASN 13 8.456 6.637 1.312 96 H GLN 14 H GLN 14 9.488 6.409 -1.903 97 HA GLN 14 HA GLN 14 7.120 5.779 -3.295 98 HB2 GLN 14 2HB GLN 14 7.892 5.274 -5.481 99 HB3 GLN 14 3HB GLN 14 8.460 6.900 -5.124 100 HG2 GLN 14 2HG GLN 14 10.673 6.044 -4.625 101 HG3 GLN 14 3HG GLN 14 10.116 4.396 -4.906 102 HE21 GLN 14 1HE2 GLN 14 9.497 7.378 -6.703 103 HE22 GLN 14 2HE2 GLN 14 10.156 6.821 -8.200 104 H CYS 15 H CYS 15 7.777 3.466 -4.587 105 HA CYS 15 HA CYS 15 7.958 1.591 -2.578 106 HB2 CYS 15 2HB CYS 15 8.693 1.365 -5.500 107 HB3 CYS 15 3HB CYS 15 8.620 -0.019 -4.414 108 H CYS 16 H CYS 16 9.584 0.292 -1.737 109 HA CYS 16 HA CYS 16 12.215 1.512 -1.720 110 HB2 CYS 16 2HB CYS 16 10.672 -0.167 0.053 111 HB3 CYS 16 3HB CYS 16 12.275 -0.849 -0.197 112 H ASP 17 H ASP 17 13.882 -0.615 -1.290 113 HA ASP 17 HA ASP 17 13.968 -1.822 -3.961 114 HB2 ASP 17 2HB ASP 17 16.315 -2.278 -2.306 115 HB3 ASP 17 3HB ASP 17 16.192 -1.525 -3.894 116 HA PRO 18 HA PRO 18 15.927 -3.385 -4.475 117 HB2 PRO 18 2HB PRO 18 15.436 -5.540 -6.050 118 HB3 PRO 18 3HB PRO 18 16.582 -5.575 -4.705 119 HG2 PRO 18 2HG PRO 18 13.753 -6.547 -4.807 120 HG3 PRO 18 3HG PRO 18 15.175 -7.319 -4.084 121 HD2 PRO 18 2HD PRO 18 13.345 -5.967 -2.615 122 HD3 PRO 18 3HD PRO 18 15.066 -6.023 -2.180 123 H TYR 19 H TYR 19 12.555 -3.951 -4.342 124 HA TYR 19 HA TYR 19 11.630 -3.748 -6.894 125 HB2 TYR 19 2HB TYR 19 10.449 -2.112 -4.651 126 HB3 TYR 19 3HB TYR 19 9.612 -2.835 -6.020 127 HD1 TYR 19 HD1 TYR 19 10.826 -5.572 -5.945 128 HD2 TYR 19 HD2 TYR 19 9.338 -3.088 -2.827 129 HE1 TYR 19 HE1 TYR 19 10.336 -7.569 -4.596 130 HE2 TYR 19 HE2 TYR 19 8.847 -5.079 -1.469 131 HH TYR 19 HH TYR 19 8.365 -7.802 -2.304 132 H HIS 20 H HIS 20 10.917 -1.985 -8.219 133 HA HIS 20 HA HIS 20 11.991 0.655 -7.669 134 HB2 HIS 20 2HB HIS 20 13.087 0.709 -9.960 135 HB3 HIS 20 3HB HIS 20 13.910 -0.250 -8.735 136 HD1 HIS 20 HD1 HIS 20 12.271 -0.489 -12.034 137 HD2 HIS 20 HD2 HIS 20 13.701 -3.076 -9.115 138 HE1 HIS 20 HE1 HIS 20 12.406 -2.742 -13.141 139 H CYS 21 H CYS 21 10.638 2.180 -8.374 140 HA CYS 21 HA CYS 21 8.210 1.476 -9.669 141 HB2 CYS 21 2HB CYS 21 9.456 4.138 -8.979 142 HB3 CYS 21 3HB CYS 21 7.876 3.993 -9.742 143 H THR 22 H THR 22 8.151 0.898 -11.740 144 HA THR 22 HA THR 22 9.617 2.557 -13.686 145 HB THR 22 HB THR 22 9.108 -0.420 -13.835 146 HG1 THR 22 HG1 THR 22 11.525 -0.303 -13.945 147 HG21 THR 22 3HG2 THR 22 8.906 0.598 -16.039 148 HG22 THR 22 1HG2 THR 22 10.402 -0.329 -15.928 149 HG23 THR 22 2HG2 THR 22 10.445 1.431 -15.813 150 HA PRO 23 HA PRO 23 9.630 3.389 -15.509 151 HB2 PRO 23 2HB PRO 23 8.607 5.792 -16.247 152 HB3 PRO 23 3HB PRO 23 8.659 4.397 -17.331 153 HG2 PRO 23 2HG PRO 23 6.378 5.443 -15.699 154 HG3 PRO 23 3HG PRO 23 6.380 4.858 -17.373 155 HD2 PRO 23 2HD PRO 23 5.538 3.336 -15.298 156 HD3 PRO 23 3HD PRO 23 6.325 2.644 -16.731 157 HA PRO 24 HA PRO 24 10.329 5.576 -11.751 158 HB2 PRO 24 2HB PRO 24 12.401 7.166 -12.493 159 HB3 PRO 24 3HB PRO 24 12.570 5.426 -12.235 160 HG2 PRO 24 2HG PRO 24 12.251 6.939 -14.799 161 HG3 PRO 24 3HG PRO 24 13.336 5.588 -14.426 162 HD2 PRO 24 2HD PRO 24 11.015 5.259 -15.779 163 HD3 PRO 24 3HD PRO 24 11.677 4.013 -14.702 164 H LEU 25 H LEU 25 8.113 6.627 -12.408 165 HA LEU 25 HA LEU 25 8.220 9.335 -11.753 166 HB2 LEU 25 2HB LEU 25 8.901 8.989 -14.387 167 HB3 LEU 25 3HB LEU 25 7.175 9.330 -14.481 168 HG LEU 25 HG LEU 25 8.485 11.356 -14.778 169 HD11 LEU 25 1HD1 LEU 25 6.282 11.444 -13.652 170 HD12 LEU 25 2HD1 LEU 25 7.368 12.744 -13.164 171 HD13 LEU 25 3HD1 LEU 25 7.110 11.365 -12.096 172 HD21 LEU 25 3HD2 LEU 25 9.533 10.823 -12.000 173 HD22 LEU 25 1HD2 LEU 25 9.856 12.253 -12.982 174 HD23 LEU 25 2HD2 LEU 25 10.461 10.677 -13.494 175 H ILE 26 H ILE 26 6.472 6.748 -13.350 176 HA ILE 26 HA ILE 26 4.251 6.896 -11.667 177 HB ILE 26 HB ILE 26 3.652 8.970 -12.706 178 HG12 ILE 26 2HG1 ILE 26 1.462 8.401 -13.674 179 HG13 ILE 26 3HG1 ILE 26 1.985 6.732 -13.878 180 HG21 ILE 26 1HG2 ILE 26 4.280 9.452 -14.777 181 HG22 ILE 26 2HG2 ILE 26 4.788 7.782 -15.024 182 HG23 ILE 26 3HG2 ILE 26 3.134 8.264 -15.398 183 HD11 ILE 26 3HD1 ILE 26 1.527 8.205 -11.301 184 HD12 ILE 26 1HD1 ILE 26 0.614 6.841 -11.945 185 HD13 ILE 26 2HD1 ILE 26 2.277 6.612 -11.403 186 H GLY 27 H GLY 27 3.712 4.819 -11.652 187 HA2 GLY 27 2HA GLY 27 2.531 3.421 -13.698 188 HA3 GLY 27 3HA GLY 27 4.247 3.081 -13.864 189 H ILE 28 H ILE 28 4.703 1.155 -13.048 190 HA ILE 28 HA ILE 28 3.431 0.382 -10.504 191 HB ILE 28 HB ILE 28 4.399 -1.604 -12.543 192 HG12 ILE 28 2HG1 ILE 28 2.707 -0.239 -13.650 193 HG13 ILE 28 3HG1 ILE 28 2.054 -1.833 -13.285 194 HG21 ILE 28 1HG2 ILE 28 4.104 -2.771 -10.602 195 HG22 ILE 28 2HG2 ILE 28 2.852 -1.683 -10.008 196 HG23 ILE 28 3HG2 ILE 28 2.470 -2.868 -11.258 197 HD11 ILE 28 3HD1 ILE 28 1.119 0.758 -12.480 198 HD12 ILE 28 1HD1 ILE 28 0.334 -0.814 -12.342 199 HD13 ILE 28 2HD1 ILE 28 1.426 -0.259 -11.073 200 H CYS 29 H CYS 29 4.700 -1.058 -9.142 201 HA CYS 29 HA CYS 29 7.535 -0.354 -9.251 202 HB2 CYS 29 2HB CYS 29 5.886 -1.597 -7.038 203 HB3 CYS 29 3HB CYS 29 7.591 -1.173 -6.911 204 H LEU 30 H LEU 30 9.148 -1.807 -9.503 205 HA LEU 30 HA LEU 30 8.394 -4.645 -9.741 206 HB2 LEU 30 2HB LEU 30 9.969 -2.897 -11.561 207 HB3 LEU 30 3HB LEU 30 10.451 -4.586 -11.405 208 HG LEU 30 HG LEU 30 8.944 -4.036 -13.350 209 HD11 LEU 30 1HD1 LEU 30 7.883 -6.100 -13.259 210 HD12 LEU 30 2HD1 LEU 30 7.647 -6.015 -11.514 211 HD13 LEU 30 3HD1 LEU 30 9.257 -6.305 -12.173 212 HD21 LEU 30 3HD2 LEU 30 6.659 -4.063 -11.441 213 HD22 LEU 30 1HD2 LEU 30 6.762 -3.403 -13.073 214 HD23 LEU 30 2HD2 LEU 30 7.510 -2.544 -11.727 Start of MODEL 3 1 H1 CYS 1 H CYS 1 9.762 1.015 3.280 2 HA CYS 1 HA CYS 1 7.925 2.977 2.070 3 HB2 CYS 1 2HB CYS 1 9.422 1.157 0.287 4 HB3 CYS 1 3HB CYS 1 9.057 2.869 0.103 5 H ARG 2 H ARG 2 7.164 1.528 -0.152 6 HA ARG 2 HA ARG 2 5.550 -0.598 1.080 7 HB2 ARG 2 2HB ARG 2 4.148 -0.234 -1.069 8 HB3 ARG 2 3HB ARG 2 4.051 0.960 0.219 9 HG2 ARG 2 2HG ARG 2 5.370 2.500 -0.960 10 HG3 ARG 2 3HG ARG 2 5.927 1.273 -2.100 11 HD2 ARG 2 2HD ARG 2 4.149 1.553 -3.422 12 HD3 ARG 2 3HD ARG 2 3.033 1.525 -2.058 13 HE ARG 2 HE ARG 2 3.977 3.823 -3.428 14 HH11 ARG 2 1HH1 ARG 2 3.095 2.659 -0.267 15 HH12 ARG 2 2HH1 ARG 2 2.648 4.225 0.327 16 HH21 ARG 2 1HH2 ARG 2 3.392 5.888 -2.658 17 HH22 ARG 2 2HH2 ARG 2 2.816 6.060 -1.034 18 HA PRO 3 HA PRO 3 7.359 -3.741 -1.389 19 HB2 PRO 3 2HB PRO 3 5.221 -5.315 -1.955 20 HB3 PRO 3 3HB PRO 3 5.949 -5.226 -0.347 21 HG2 PRO 3 2HG PRO 3 3.508 -3.849 -1.400 22 HG3 PRO 3 3HG PRO 3 3.758 -4.640 0.167 23 HD2 PRO 3 2HD PRO 3 3.886 -1.953 -0.145 24 HD3 PRO 3 3HD PRO 3 4.870 -2.825 1.048 25 H TYR 4 H TYR 4 6.542 -5.169 -3.481 26 HA TYR 4 HA TYR 4 6.566 -3.247 -5.626 27 HB2 TYR 4 2HB TYR 4 7.042 -5.068 -7.060 28 HB3 TYR 4 3HB TYR 4 7.885 -5.428 -5.558 29 HD1 TYR 4 HD2 TYR 4 6.750 -7.028 -3.916 30 HD2 TYR 4 HD1 TYR 4 5.521 -6.599 -7.967 31 HE1 TYR 4 HE2 TYR 4 5.617 -9.209 -3.798 32 HE2 TYR 4 HE1 TYR 4 4.384 -8.777 -7.859 33 HH TYR 4 HH TYR 4 4.911 -11.008 -5.437 34 H GLY 5 H GLY 5 5.174 -4.433 -7.647 35 HA2 GLY 5 2HA GLY 5 3.076 -4.400 -8.584 36 HA3 GLY 5 3HA GLY 5 2.614 -5.357 -7.184 37 H TYR 6 H TYR 6 3.836 -2.118 -6.821 38 HA TYR 6 HA TYR 6 1.113 -1.219 -6.136 39 HB2 TYR 6 2HB TYR 6 3.573 -1.175 -4.596 40 HB3 TYR 6 3HB TYR 6 2.898 0.442 -4.772 41 HD1 TYR 6 HD1 TYR 6 1.963 -3.025 -3.773 42 HD2 TYR 6 HD2 TYR 6 1.169 1.136 -3.373 43 HE1 TYR 6 HE1 TYR 6 0.351 -3.511 -1.982 44 HE2 TYR 6 HE2 TYR 6 -0.446 0.661 -1.581 45 HH TYR 6 HH TYR 6 -1.123 -2.672 -0.553 46 H ARG 7 H ARG 7 0.625 1.007 -6.509 47 HA ARG 7 HA ARG 7 1.932 2.032 -8.887 48 HB2 ARG 7 2HB ARG 7 -0.616 1.931 -8.442 49 HB3 ARG 7 3HB ARG 7 -0.351 3.361 -7.453 50 HG2 ARG 7 2HG ARG 7 0.635 3.284 -10.272 51 HG3 ARG 7 3HG ARG 7 -1.061 3.626 -9.925 52 HD2 ARG 7 2HD ARG 7 0.334 5.235 -8.151 53 HD3 ARG 7 3HD ARG 7 1.274 5.321 -9.640 54 HE ARG 7 HE ARG 7 -1.298 5.702 -10.450 55 HH11 ARG 7 1HH1 ARG 7 0.782 7.223 -8.110 56 HH12 ARG 7 2HH1 ARG 7 0.037 8.780 -8.266 57 HH21 ARG 7 1HH2 ARG 7 -2.288 7.746 -10.664 58 HH22 ARG 7 2HH2 ARG 7 -1.710 9.075 -9.718 59 H CYS 8 H CYS 8 3.016 3.961 -9.058 60 HA CYS 8 HA CYS 8 3.325 5.633 -6.689 61 HB2 CYS 8 2HB CYS 8 5.900 5.597 -7.326 62 HB3 CYS 8 3HB CYS 8 5.213 4.412 -6.219 63 H ASP 9 H ASP 9 4.461 7.673 -7.174 64 HA ASP 9 HA ASP 9 4.677 8.404 -9.974 65 HB2 ASP 9 2HB ASP 9 3.154 10.351 -9.717 66 HB3 ASP 9 3HB ASP 9 2.320 8.806 -9.586 67 H GLY 10 H GLY 10 4.801 9.434 -6.590 68 HA2 GLY 10 2HA GLY 10 6.174 11.817 -6.825 69 HA3 GLY 10 3HA GLY 10 6.352 10.709 -5.472 70 H VAL 11 H VAL 11 8.495 12.181 -6.114 71 HA VAL 11 HA VAL 11 10.240 10.362 -7.640 72 HB VAL 11 HB VAL 11 10.199 12.534 -8.667 73 HG11 VAL 11 1HG1 VAL 11 11.016 13.678 -5.999 74 HG12 VAL 11 2HG1 VAL 11 10.759 14.575 -7.496 75 HG13 VAL 11 3HG1 VAL 11 9.400 13.786 -6.695 76 HG21 VAL 11 3HG2 VAL 11 12.398 12.503 -9.041 77 HG22 VAL 11 1HG2 VAL 11 12.762 12.959 -7.378 78 HG23 VAL 11 2HG2 VAL 11 12.497 11.265 -7.789 79 H ILE 12 H ILE 12 9.966 12.303 -4.703 80 HA ILE 12 HA ILE 12 12.487 11.718 -3.613 81 HB ILE 12 HB ILE 12 9.923 12.277 -2.118 82 HG12 ILE 12 2HG1 ILE 12 11.411 14.582 -2.085 83 HG13 ILE 12 3HG1 ILE 12 11.729 13.968 -3.703 84 HG21 ILE 12 1HG2 ILE 12 11.245 11.690 -0.388 85 HG22 ILE 12 2HG2 ILE 12 12.732 11.940 -1.301 86 HG23 ILE 12 3HG2 ILE 12 11.887 13.318 -0.599 87 HD11 ILE 12 3HD1 ILE 12 9.868 15.085 -4.231 88 HD12 ILE 12 1HD1 ILE 12 9.041 13.681 -3.558 89 HD13 ILE 12 2HD1 ILE 12 9.291 15.117 -2.565 90 H ASN 13 H ASN 13 9.402 10.414 -2.396 91 HA ASN 13 HA ASN 13 10.745 7.820 -2.027 92 HB2 ASN 13 2HB ASN 13 9.511 7.515 0.068 93 HB3 ASN 13 3HB ASN 13 10.509 8.965 0.138 94 HD21 ASN 13 1HD2 ASN 13 9.387 11.012 -0.437 95 HD22 ASN 13 2HD2 ASN 13 7.759 11.209 0.108 96 H GLN 14 H GLN 14 9.485 5.970 -2.312 97 HA GLN 14 HA GLN 14 6.684 6.118 -2.884 98 HB2 GLN 14 2HB GLN 14 7.397 4.978 -5.260 99 HB3 GLN 14 3HB GLN 14 6.905 6.655 -5.058 100 HG2 GLN 14 2HG GLN 14 9.223 7.341 -4.886 101 HG3 GLN 14 3HG GLN 14 9.746 5.663 -5.011 102 HE21 GLN 14 1HE2 GLN 14 10.969 6.114 -6.847 103 HE22 GLN 14 2HE2 GLN 14 10.240 6.388 -8.388 104 H CYS 15 H CYS 15 9.178 3.990 -4.248 105 HA CYS 15 HA CYS 15 8.111 1.810 -2.573 106 HB2 CYS 15 2HB CYS 15 8.516 1.983 -5.479 107 HB3 CYS 15 3HB CYS 15 9.176 0.524 -4.746 108 H CYS 16 H CYS 16 9.559 0.385 -1.671 109 HA CYS 16 HA CYS 16 12.250 1.354 -1.363 110 HB2 CYS 16 2HB CYS 16 10.484 -0.481 0.016 111 HB3 CYS 16 3HB CYS 16 12.085 -1.184 -0.189 112 H ASP 17 H ASP 17 13.801 -0.863 -1.143 113 HA ASP 17 HA ASP 17 13.924 -1.812 -3.924 114 HB2 ASP 17 2HB ASP 17 16.317 -2.310 -2.363 115 HB3 ASP 17 3HB ASP 17 16.132 -1.428 -3.877 116 HA PRO 18 HA PRO 18 15.923 -3.275 -4.568 117 HB2 PRO 18 2HB PRO 18 15.471 -5.339 -6.271 118 HB3 PRO 18 3HB PRO 18 16.640 -5.425 -4.948 119 HG2 PRO 18 2HG PRO 18 13.840 -6.477 -5.071 120 HG3 PRO 18 3HG PRO 18 15.298 -7.248 -4.419 121 HD2 PRO 18 2HD PRO 18 13.453 -6.052 -2.840 122 HD3 PRO 18 3HD PRO 18 15.181 -6.081 -2.435 123 H TYR 19 H TYR 19 12.575 -3.907 -4.395 124 HA TYR 19 HA TYR 19 11.547 -3.627 -6.885 125 HB2 TYR 19 2HB TYR 19 10.493 -2.004 -4.570 126 HB3 TYR 19 3HB TYR 19 9.584 -2.685 -5.915 127 HD1 TYR 19 HD2 TYR 19 10.806 -5.443 -5.915 128 HD2 TYR 19 HD1 TYR 19 9.384 -2.994 -2.740 129 HE1 TYR 19 HE2 TYR 19 10.335 -7.456 -4.581 130 HE2 TYR 19 HE1 TYR 19 8.910 -4.999 -1.397 131 HH TYR 19 HH TYR 19 9.823 -8.216 -2.515 132 H HIS 20 H HIS 20 10.884 -1.885 -8.214 133 HA HIS 20 HA HIS 20 11.939 0.764 -7.666 134 HB2 HIS 20 2HB HIS 20 13.038 0.808 -9.966 135 HB3 HIS 20 3HB HIS 20 13.873 -0.108 -8.715 136 HD1 HIS 20 HD1 HIS 20 12.251 -0.454 -12.014 137 HD2 HIS 20 HD2 HIS 20 13.733 -2.944 -9.037 138 HE1 HIS 20 HE1 HIS 20 12.441 -2.728 -13.072 139 H CYS 21 H CYS 21 10.656 2.315 -8.472 140 HA CYS 21 HA CYS 21 8.196 1.609 -9.708 141 HB2 CYS 21 2HB CYS 21 9.521 4.250 -9.111 142 HB3 CYS 21 3HB CYS 21 7.964 4.150 -9.925 143 H THR 22 H THR 22 8.003 1.024 -11.760 144 HA THR 22 HA THR 22 9.602 2.453 -13.783 145 HB THR 22 HB THR 22 8.712 -0.437 -13.847 146 HG1 THR 22 HG1 THR 22 11.374 0.532 -13.928 147 HG21 THR 22 3HG2 THR 22 9.988 -0.562 -15.948 148 HG22 THR 22 1HG2 THR 22 10.264 1.177 -15.875 149 HG23 THR 22 2HG2 THR 22 8.627 0.552 -16.073 150 HA PRO 23 HA PRO 23 9.623 3.526 -15.392 151 HB2 PRO 23 2HB PRO 23 8.735 6.042 -15.894 152 HB3 PRO 23 3HB PRO 23 8.722 4.758 -17.109 153 HG2 PRO 23 2HG PRO 23 6.487 5.763 -15.390 154 HG3 PRO 23 3HG PRO 23 6.472 5.344 -17.113 155 HD2 PRO 23 2HD PRO 23 5.531 3.675 -15.199 156 HD3 PRO 23 3HD PRO 23 6.292 3.085 -16.690 157 HA PRO 24 HA PRO 24 10.522 5.507 -11.572 158 HB2 PRO 24 2HB PRO 24 12.239 7.484 -12.291 159 HB3 PRO 24 3HB PRO 24 12.683 5.772 -12.307 160 HG2 PRO 24 2HG PRO 24 11.833 7.532 -14.576 161 HG3 PRO 24 3HG PRO 24 13.137 6.331 -14.519 162 HD2 PRO 24 2HD PRO 24 10.733 5.817 -15.653 163 HD3 PRO 24 3HD PRO 24 11.693 4.563 -14.844 164 H LEU 25 H LEU 25 8.836 7.159 -13.988 165 HA LEU 25 HA LEU 25 8.492 9.591 -12.411 166 HB2 LEU 25 2HB LEU 25 8.807 9.474 -14.971 167 HB3 LEU 25 3HB LEU 25 7.111 8.995 -15.003 168 HG LEU 25 HG LEU 25 7.480 11.401 -15.462 169 HD11 LEU 25 1HD1 LEU 25 5.538 11.984 -14.458 170 HD12 LEU 25 2HD1 LEU 25 6.042 11.384 -12.880 171 HD13 LEU 25 3HD1 LEU 25 5.478 10.256 -14.112 172 HD21 LEU 25 3HD2 LEU 25 9.425 11.633 -13.911 173 HD22 LEU 25 1HD2 LEU 25 8.285 11.585 -12.565 174 HD23 LEU 25 2HD2 LEU 25 8.203 12.894 -13.744 175 H ILE 26 H ILE 26 6.437 7.101 -13.922 176 HA ILE 26 HA ILE 26 4.729 6.962 -11.638 177 HB ILE 26 HB ILE 26 3.822 9.019 -12.543 178 HG12 ILE 26 2HG1 ILE 26 1.849 6.910 -13.363 179 HG13 ILE 26 3HG1 ILE 26 2.346 7.053 -11.681 180 HG21 ILE 26 1HG2 ILE 26 3.729 9.447 -14.718 181 HG22 ILE 26 2HG2 ILE 26 4.422 7.855 -15.024 182 HG23 ILE 26 3HG2 ILE 26 2.671 8.062 -14.987 183 HD11 ILE 26 3HD1 ILE 26 0.255 8.241 -12.179 184 HD12 ILE 26 1HD1 ILE 26 1.526 9.314 -11.591 185 HD13 ILE 26 2HD1 ILE 26 1.132 9.271 -13.310 186 H GLY 27 H GLY 27 4.024 4.934 -11.534 187 HA2 GLY 27 2HA GLY 27 2.736 3.508 -13.533 188 HA3 GLY 27 3HA GLY 27 4.440 3.099 -13.665 189 H ILE 28 H ILE 28 4.841 1.211 -12.741 190 HA ILE 28 HA ILE 28 3.515 0.602 -10.180 191 HB ILE 28 HB ILE 28 3.822 -1.834 -10.841 192 HG12 ILE 28 2HG1 ILE 28 5.341 -0.991 -12.837 193 HG13 ILE 28 3HG1 ILE 28 4.357 -2.442 -12.996 194 HG21 ILE 28 1HG2 ILE 28 1.893 -0.014 -12.255 195 HG22 ILE 28 2HG2 ILE 28 1.790 -1.771 -12.355 196 HG23 ILE 28 3HG2 ILE 28 1.631 -0.965 -10.793 197 HD11 ILE 28 3HD1 ILE 28 3.202 0.173 -13.811 198 HD12 ILE 28 1HD1 ILE 28 4.377 -0.616 -14.862 199 HD13 ILE 28 2HD1 ILE 28 2.882 -1.447 -14.430 200 H CYS 29 H CYS 29 4.747 -1.150 -8.945 201 HA CYS 29 HA CYS 29 7.575 -0.381 -8.910 202 HB2 CYS 29 2HB CYS 29 5.929 -1.805 -6.808 203 HB3 CYS 29 3HB CYS 29 7.599 -1.282 -6.625 204 H LEU 30 H LEU 30 9.151 -1.768 -9.417 205 HA LEU 30 HA LEU 30 8.472 -4.624 -9.652 206 HB2 LEU 30 2HB LEU 30 9.762 -2.789 -11.598 207 HB3 LEU 30 3HB LEU 30 10.358 -4.446 -11.513 208 HG LEU 30 HG LEU 30 8.648 -4.013 -13.291 209 HD11 LEU 30 1HD1 LEU 30 7.765 -6.125 -13.108 210 HD12 LEU 30 2HD1 LEU 30 7.516 -5.991 -11.368 211 HD13 LEU 30 3HD1 LEU 30 9.140 -6.238 -12.010 212 HD21 LEU 30 3HD2 LEU 30 6.497 -3.414 -12.834 213 HD22 LEU 30 1HD2 LEU 30 7.317 -2.555 -11.530 214 HD23 LEU 30 2HD2 LEU 30 6.529 -4.101 -11.210 Start of MODEL 4 1 H1 CYS 1 H CYS 1 9.600 0.899 3.350 2 HA CYS 1 HA CYS 1 7.999 3.014 2.086 3 HB2 CYS 1 2HB CYS 1 9.540 1.265 0.262 4 HB3 CYS 1 3HB CYS 1 9.147 2.976 0.120 5 H ARG 2 H ARG 2 7.244 1.674 -0.189 6 HA ARG 2 HA ARG 2 5.632 -0.511 0.935 7 HB2 ARG 2 2HB ARG 2 4.217 -0.081 -1.158 8 HB3 ARG 2 3HB ARG 2 4.178 1.136 0.111 9 HG2 ARG 2 2HG ARG 2 5.531 2.614 -1.117 10 HG3 ARG 2 3HG ARG 2 6.014 1.351 -2.253 11 HD2 ARG 2 2HD ARG 2 4.442 2.471 -3.496 12 HD3 ARG 2 3HD ARG 2 3.444 1.232 -2.738 13 HE ARG 2 HE ARG 2 3.597 3.709 -1.268 14 HH11 ARG 2 1HH1 ARG 2 1.913 1.903 -3.723 15 HH12 ARG 2 2HH1 ARG 2 0.439 2.800 -3.556 16 HH21 ARG 2 1HH2 ARG 2 1.663 4.897 -1.039 17 HH22 ARG 2 2HH2 ARG 2 0.298 4.503 -2.029 18 HA PRO 3 HA PRO 3 7.569 -3.531 -1.596 19 HB2 PRO 3 2HB PRO 3 5.494 -5.215 -2.073 20 HB3 PRO 3 3HB PRO 3 6.289 -5.092 -0.499 21 HG2 PRO 3 2HG PRO 3 3.733 -3.844 -1.433 22 HG3 PRO 3 3HG PRO 3 4.095 -4.626 0.117 23 HD2 PRO 3 2HD PRO 3 4.067 -1.935 -0.186 24 HD3 PRO 3 3HD PRO 3 5.149 -2.756 0.957 25 H TYR 4 H TYR 4 6.743 -4.992 -3.657 26 HA TYR 4 HA TYR 4 6.587 -3.075 -5.795 27 HB2 TYR 4 2HB TYR 4 7.067 -4.870 -7.248 28 HB3 TYR 4 3HB TYR 4 7.966 -5.229 -5.779 29 HD1 TYR 4 HD2 TYR 4 6.900 -6.862 -4.112 30 HD2 TYR 4 HD1 TYR 4 5.570 -6.433 -8.131 31 HE1 TYR 4 HE2 TYR 4 5.817 -9.066 -3.983 32 HE2 TYR 4 HE1 TYR 4 4.483 -8.637 -8.013 33 HH TYR 4 HH TYR 4 5.145 -10.906 -5.969 34 H GLY 5 H GLY 5 5.136 -4.255 -7.754 35 HA2 GLY 5 2HA GLY 5 2.994 -4.253 -8.588 36 HA3 GLY 5 3HA GLY 5 2.643 -5.292 -7.216 37 H TYR 6 H TYR 6 3.735 -2.006 -6.795 38 HA TYR 6 HA TYR 6 1.016 -1.267 -5.928 39 HB2 TYR 6 2HB TYR 6 3.528 -1.204 -4.490 40 HB3 TYR 6 3HB TYR 6 2.816 0.403 -4.578 41 HD1 TYR 6 HD1 TYR 6 0.015 0.068 -4.315 42 HD2 TYR 6 HD2 TYR 6 3.110 -2.172 -2.444 43 HE1 TYR 6 HE1 TYR 6 -1.520 -0.509 -2.481 44 HE2 TYR 6 HE2 TYR 6 1.584 -2.756 -0.605 45 HH TYR 6 HH TYR 6 -0.473 -1.856 0.436 46 H ARG 7 H ARG 7 0.441 0.972 -6.140 47 HA ARG 7 HA ARG 7 1.511 2.134 -8.563 48 HB2 ARG 7 2HB ARG 7 -0.897 2.113 -8.246 49 HB3 ARG 7 3HB ARG 7 -0.736 3.005 -6.739 50 HG2 ARG 7 2HG ARG 7 -1.468 4.496 -8.467 51 HG3 ARG 7 3HG ARG 7 0.185 4.913 -8.010 52 HD2 ARG 7 2HD ARG 7 1.035 4.305 -10.018 53 HD3 ARG 7 3HD ARG 7 -0.107 2.977 -10.218 54 HE ARG 7 HE ARG 7 -1.385 5.513 -10.442 55 HH11 ARG 7 1HH1 ARG 7 0.584 3.216 -12.164 56 HH12 ARG 7 2HH1 ARG 7 0.035 3.720 -13.728 57 HH21 ARG 7 1HH2 ARG 7 -2.115 6.187 -12.494 58 HH22 ARG 7 2HH2 ARG 7 -1.500 5.411 -13.914 59 H CYS 8 H CYS 8 3.027 3.649 -8.647 60 HA CYS 8 HA CYS 8 3.395 5.435 -6.347 61 HB2 CYS 8 2HB CYS 8 5.926 5.229 -6.890 62 HB3 CYS 8 3HB CYS 8 5.155 3.960 -5.945 63 H ASP 9 H ASP 9 4.400 7.452 -6.844 64 HA ASP 9 HA ASP 9 5.095 8.181 -9.506 65 HB2 ASP 9 2HB ASP 9 3.193 9.911 -9.674 66 HB3 ASP 9 3HB ASP 9 2.814 8.233 -10.053 67 H GLY 10 H GLY 10 6.543 9.762 -9.340 68 HA2 GLY 10 2HA GLY 10 6.661 12.164 -8.414 69 HA3 GLY 10 3HA GLY 10 6.570 11.349 -6.860 70 H VAL 11 H VAL 11 8.519 11.588 -5.964 71 HA VAL 11 HA VAL 11 10.759 10.198 -7.022 72 HB VAL 11 HB VAL 11 10.927 12.162 -8.469 73 HG11 VAL 11 1HG1 VAL 11 11.247 14.377 -7.616 74 HG12 VAL 11 2HG1 VAL 11 9.771 13.723 -6.903 75 HG13 VAL 11 3HG1 VAL 11 11.256 13.790 -5.953 76 HG21 VAL 11 3HG2 VAL 11 12.995 11.128 -7.875 77 HG22 VAL 11 1HG2 VAL 11 13.235 12.874 -7.808 78 HG23 VAL 11 2HG2 VAL 11 13.028 11.954 -6.318 79 H ILE 12 H ILE 12 9.563 12.661 -4.803 80 HA ILE 12 HA ILE 12 11.589 12.721 -2.932 81 HB ILE 12 HB ILE 12 9.744 14.231 -2.718 82 HG12 ILE 12 2HG1 ILE 12 9.819 12.296 -0.394 83 HG13 ILE 12 3HG1 ILE 12 10.879 13.680 -0.634 84 HG21 ILE 12 1HG2 ILE 12 8.047 12.637 -3.631 85 HG22 ILE 12 2HG2 ILE 12 7.973 11.894 -2.035 86 HG23 ILE 12 3HG2 ILE 12 7.498 13.578 -2.244 87 HD11 ILE 12 3HD1 ILE 12 8.975 15.181 -0.405 88 HD12 ILE 12 1HD1 ILE 12 7.908 13.797 -0.175 89 HD13 ILE 12 2HD1 ILE 12 9.161 14.151 1.014 90 H ASN 13 H ASN 13 8.885 10.434 -3.158 91 HA ASN 13 HA ASN 13 10.450 8.437 -1.763 92 HB2 ASN 13 2HB ASN 13 8.401 8.006 -0.222 93 HB3 ASN 13 3HB ASN 13 9.525 9.296 0.199 94 HD21 ASN 13 1HD2 ASN 13 6.619 8.816 -1.783 95 HD22 ASN 13 2HD2 ASN 13 5.844 10.284 -1.303 96 H GLN 14 H GLN 14 9.603 6.309 -1.980 97 HA GLN 14 HA GLN 14 7.162 5.702 -3.245 98 HB2 GLN 14 2HB GLN 14 7.802 5.178 -5.462 99 HB3 GLN 14 3HB GLN 14 8.445 6.784 -5.148 100 HG2 GLN 14 2HG GLN 14 10.468 5.021 -4.389 101 HG3 GLN 14 3HG GLN 14 9.819 4.376 -5.895 102 HE21 GLN 14 1HE2 GLN 14 12.229 6.130 -4.817 103 HE22 GLN 14 2HE2 GLN 14 12.431 7.267 -6.100 104 H CYS 15 H CYS 15 7.765 3.369 -4.570 105 HA CYS 15 HA CYS 15 7.969 1.495 -2.572 106 HB2 CYS 15 2HB CYS 15 8.682 1.270 -5.498 107 HB3 CYS 15 3HB CYS 15 8.618 -0.115 -4.414 108 H CYS 16 H CYS 16 9.598 0.185 -1.748 109 HA CYS 16 HA CYS 16 12.231 1.400 -1.747 110 HB2 CYS 16 2HB CYS 16 10.696 -0.268 0.041 111 HB3 CYS 16 3HB CYS 16 12.291 -0.964 -0.224 112 H ASP 17 H ASP 17 13.895 -0.734 -1.326 113 HA ASP 17 HA ASP 17 13.966 -1.936 -3.999 114 HB2 ASP 17 2HB ASP 17 16.311 -2.415 -2.350 115 HB3 ASP 17 3HB ASP 17 16.190 -1.655 -3.934 116 HA PRO 18 HA PRO 18 15.914 -3.510 -4.520 117 HB2 PRO 18 2HB PRO 18 15.407 -5.657 -6.102 118 HB3 PRO 18 3HB PRO 18 16.553 -5.704 -4.758 119 HG2 PRO 18 2HG PRO 18 13.717 -6.656 -4.863 120 HG3 PRO 18 3HG PRO 18 15.134 -7.440 -4.142 121 HD2 PRO 18 2HD PRO 18 13.315 -6.081 -2.668 122 HD3 PRO 18 3HD PRO 18 15.036 -6.151 -2.234 123 H TYR 19 H TYR 19 12.538 -4.052 -4.387 124 HA TYR 19 HA TYR 19 11.616 -3.832 -6.941 125 HB2 TYR 19 2HB TYR 19 10.434 -2.200 -4.697 126 HB3 TYR 19 3HB TYR 19 9.600 -2.931 -6.063 127 HD1 TYR 19 HD1 TYR 19 10.848 -5.663 -5.964 128 HD2 TYR 19 HD2 TYR 19 9.299 -3.172 -2.882 129 HE1 TYR 19 HE1 TYR 19 10.365 -7.655 -4.605 130 HE2 TYR 19 HE2 TYR 19 8.812 -5.158 -1.514 131 HH TYR 19 HH TYR 19 10.043 -8.230 -2.230 132 H HIS 20 H HIS 20 10.906 -2.054 -8.250 133 HA HIS 20 HA HIS 20 11.998 0.576 -7.681 134 HB2 HIS 20 2HB HIS 20 13.075 0.635 -9.990 135 HB3 HIS 20 3HB HIS 20 13.909 -0.314 -8.762 136 HD1 HIS 20 HD1 HIS 20 12.304 -0.569 -12.066 137 HD2 HIS 20 HD2 HIS 20 13.660 -3.154 -9.110 138 HE1 HIS 20 HE1 HIS 20 12.431 -2.831 -13.157 139 H CYS 21 H CYS 21 10.660 2.120 -8.377 140 HA CYS 21 HA CYS 21 8.221 1.439 -9.670 141 HB2 CYS 21 2HB CYS 21 9.485 4.072 -8.918 142 HB3 CYS 21 3HB CYS 21 7.924 3.973 -9.727 143 H THR 22 H THR 22 8.097 0.938 -11.753 144 HA THR 22 HA THR 22 9.634 2.562 -13.675 145 HB THR 22 HB THR 22 8.955 -0.378 -13.866 146 HG1 THR 22 HG1 THR 22 10.915 0.664 -12.651 147 HG21 THR 22 3HG2 THR 22 10.322 -0.250 -15.978 148 HG22 THR 22 1HG2 THR 22 10.197 1.505 -15.867 149 HG23 THR 22 2HG2 THR 22 8.742 0.528 -16.062 150 HA PRO 23 HA PRO 23 9.672 3.484 -15.439 151 HB2 PRO 23 2HB PRO 23 8.764 5.965 -16.062 152 HB3 PRO 23 3HB PRO 23 8.744 4.619 -17.207 153 HG2 PRO 23 2HG PRO 23 6.523 5.702 -15.516 154 HG3 PRO 23 3HG PRO 23 6.489 5.193 -17.214 155 HD2 PRO 23 2HD PRO 23 5.582 3.622 -15.204 156 HD3 PRO 23 3HD PRO 23 6.329 2.958 -16.671 157 HA PRO 24 HA PRO 24 10.515 5.495 -11.613 158 HB2 PRO 24 2HB PRO 24 12.596 7.085 -12.328 159 HB3 PRO 24 3HB PRO 24 12.740 5.331 -12.164 160 HG2 PRO 24 2HG PRO 24 12.384 6.978 -14.638 161 HG3 PRO 24 3HG PRO 24 13.454 5.592 -14.361 162 HD2 PRO 24 2HD PRO 24 11.094 5.372 -15.669 163 HD3 PRO 24 3HD PRO 24 11.760 4.062 -14.674 164 H LEU 25 H LEU 25 8.285 6.612 -12.297 165 HA LEU 25 HA LEU 25 8.466 9.290 -11.469 166 HB2 LEU 25 2HB LEU 25 9.248 9.295 -13.954 167 HB3 LEU 25 3HB LEU 25 7.528 9.139 -14.303 168 HG LEU 25 HG LEU 25 8.330 11.464 -14.444 169 HD11 LEU 25 1HD1 LEU 25 6.004 10.583 -13.434 170 HD12 LEU 25 2HD1 LEU 25 6.386 12.290 -13.655 171 HD13 LEU 25 3HD1 LEU 25 6.581 11.541 -12.071 172 HD21 LEU 25 3HD2 LEU 25 9.950 10.975 -12.419 173 HD22 LEU 25 1HD2 LEU 25 8.587 11.589 -11.484 174 HD23 LEU 25 2HD2 LEU 25 9.327 12.597 -12.728 175 H ILE 26 H ILE 26 6.616 6.832 -13.169 176 HA ILE 26 HA ILE 26 4.447 6.935 -11.402 177 HB ILE 26 HB ILE 26 3.872 9.066 -12.348 178 HG12 ILE 26 2HG1 ILE 26 1.921 7.479 -13.878 179 HG13 ILE 26 3HG1 ILE 26 2.170 6.930 -12.224 180 HG21 ILE 26 1HG2 ILE 26 4.907 7.940 -14.737 181 HG22 ILE 26 2HG2 ILE 26 3.242 8.434 -15.044 182 HG23 ILE 26 3HG2 ILE 26 4.411 9.605 -14.432 183 HD11 ILE 26 3HD1 ILE 26 0.745 8.487 -11.574 184 HD12 ILE 26 1HD1 ILE 26 1.923 9.705 -12.062 185 HD13 ILE 26 2HD1 ILE 26 0.680 9.176 -13.196 186 H GLY 27 H GLY 27 3.854 4.874 -11.459 187 HA2 GLY 27 2HA GLY 27 2.609 3.588 -13.543 188 HA3 GLY 27 3HA GLY 27 4.314 3.209 -13.739 189 H ILE 28 H ILE 28 4.705 1.231 -13.016 190 HA ILE 28 HA ILE 28 3.407 0.383 -10.508 191 HB ILE 28 HB ILE 28 4.440 -1.532 -12.582 192 HG12 ILE 28 2HG1 ILE 28 2.793 -0.123 -13.704 193 HG13 ILE 28 3HG1 ILE 28 2.125 -1.726 -13.420 194 HG21 ILE 28 1HG2 ILE 28 4.084 -2.705 -10.634 195 HG22 ILE 28 2HG2 ILE 28 2.725 -1.693 -10.147 196 HG23 ILE 28 3HG2 ILE 28 2.523 -2.879 -11.436 197 HD11 ILE 28 3HD1 ILE 28 0.370 -0.732 -12.516 198 HD12 ILE 28 1HD1 ILE 28 1.410 -0.243 -11.179 199 HD13 ILE 28 2HD1 ILE 28 1.169 0.839 -12.552 200 H CYS 29 H CYS 29 4.647 -1.116 -9.175 201 HA CYS 29 HA CYS 29 7.483 -0.402 -9.186 202 HB2 CYS 29 2HB CYS 29 5.812 -1.741 -7.048 203 HB3 CYS 29 3HB CYS 29 7.494 -1.251 -6.873 204 H LEU 30 H LEU 30 9.085 -1.832 -9.527 205 HA LEU 30 HA LEU 30 8.353 -4.671 -9.807 206 HB2 LEU 30 2HB LEU 30 9.878 -2.873 -11.615 207 HB3 LEU 30 3HB LEU 30 10.397 -4.553 -11.490 208 HG LEU 30 HG LEU 30 8.845 -3.983 -13.406 209 HD11 LEU 30 1HD1 LEU 30 7.645 -6.069 -11.629 210 HD12 LEU 30 2HD1 LEU 30 9.266 -6.275 -12.291 211 HD13 LEU 30 3HD1 LEU 30 7.887 -6.091 -13.376 212 HD21 LEU 30 3HD2 LEU 30 6.610 -4.149 -11.439 213 HD22 LEU 30 1HD2 LEU 30 6.633 -3.470 -13.066 214 HD23 LEU 30 2HD2 LEU 30 7.385 -2.592 -11.733 Start of MODEL 5 1 H1 CYS 1 H CYS 1 9.649 0.843 3.242 2 HA CYS 1 HA CYS 1 7.814 2.875 2.158 3 HB2 CYS 1 2HB CYS 1 9.334 1.238 0.215 4 HB3 CYS 1 3HB CYS 1 8.858 2.931 0.135 5 H ARG 2 H ARG 2 7.042 1.521 -0.127 6 HA ARG 2 HA ARG 2 5.537 -0.715 1.040 7 HB2 ARG 2 2HB ARG 2 4.091 -0.352 -1.059 8 HB3 ARG 2 3HB ARG 2 4.002 0.849 0.221 9 HG2 ARG 2 2HG ARG 2 5.168 2.431 -1.000 10 HG3 ARG 2 3HG ARG 2 5.889 1.222 -2.065 11 HD2 ARG 2 2HD ARG 2 4.166 1.298 -3.486 12 HD3 ARG 2 3HD ARG 2 2.983 1.236 -2.181 13 HE ARG 2 HE ARG 2 3.828 3.545 -3.597 14 HH11 ARG 2 1HH1 ARG 2 2.846 2.439 -0.445 15 HH12 ARG 2 2HH1 ARG 2 2.245 3.984 0.054 16 HH21 ARG 2 1HH2 ARG 2 3.039 5.586 -2.951 17 HH22 ARG 2 2HH2 ARG 2 2.354 5.774 -1.372 18 HA PRO 3 HA PRO 3 7.457 -3.722 -1.512 19 HB2 PRO 3 2HB PRO 3 5.379 -5.370 -2.096 20 HB3 PRO 3 3HB PRO 3 6.119 -5.287 -0.493 21 HG2 PRO 3 2HG PRO 3 3.614 -3.989 -1.492 22 HG3 PRO 3 3HG PRO 3 3.911 -4.804 0.054 23 HD2 PRO 3 2HD PRO 3 3.926 -2.108 -0.198 24 HD3 PRO 3 3HD PRO 3 4.957 -2.965 0.967 25 H TYR 4 H TYR 4 6.667 -5.139 -3.629 26 HA TYR 4 HA TYR 4 6.605 -3.172 -5.732 27 HB2 TYR 4 2HB TYR 4 7.131 -4.940 -7.207 28 HB3 TYR 4 3HB TYR 4 7.989 -5.319 -5.718 29 HD1 TYR 4 HD1 TYR 4 6.903 -6.994 -4.117 30 HD2 TYR 4 HD2 TYR 4 5.650 -6.487 -8.151 31 HE1 TYR 4 HE1 TYR 4 5.828 -9.206 -4.055 32 HE2 TYR 4 HE2 TYR 4 4.570 -8.696 -8.100 33 HH TYR 4 HH TYR 4 4.137 -10.506 -6.899 34 H GLY 5 H GLY 5 5.226 -4.305 -7.767 35 HA2 GLY 5 2HA GLY 5 3.116 -4.297 -8.677 36 HA3 GLY 5 3HA GLY 5 2.713 -5.353 -7.331 37 H TYR 6 H TYR 6 3.800 -2.084 -6.809 38 HA TYR 6 HA TYR 6 1.052 -1.343 -6.044 39 HB2 TYR 6 2HB TYR 6 3.530 -1.277 -4.524 40 HB3 TYR 6 3HB TYR 6 2.756 0.303 -4.581 41 HD1 TYR 6 HD1 TYR 6 1.976 -3.280 -3.884 42 HD2 TYR 6 HD2 TYR 6 1.078 0.796 -3.057 43 HE1 TYR 6 HE1 TYR 6 0.418 -3.988 -2.117 44 HE2 TYR 6 HE2 TYR 6 -0.481 0.099 -1.287 45 HH TYR 6 HH TYR 6 -0.969 -3.335 -0.515 46 H ARG 7 H ARG 7 0.458 0.865 -6.302 47 HA ARG 7 HA ARG 7 1.648 2.072 -8.639 48 HB2 ARG 7 2HB ARG 7 -0.903 2.051 -7.481 49 HB3 ARG 7 3HB ARG 7 -0.345 3.711 -7.331 50 HG2 ARG 7 2HG ARG 7 -0.392 2.140 -9.898 51 HG3 ARG 7 3HG ARG 7 -1.625 3.298 -9.393 52 HD2 ARG 7 2HD ARG 7 0.849 4.607 -9.136 53 HD3 ARG 7 3HD ARG 7 0.893 3.767 -10.686 54 HE ARG 7 HE ARG 7 -0.723 5.197 -11.478 55 HH11 ARG 7 1HH1 ARG 7 -0.457 5.531 -8.023 56 HH12 ARG 7 2HH1 ARG 7 -1.464 6.939 -7.951 57 HH21 ARG 7 1HH2 ARG 7 -2.050 7.049 -11.397 58 HH22 ARG 7 2HH2 ARG 7 -2.371 7.801 -9.870 59 H CYS 8 H CYS 8 2.835 3.912 -8.746 60 HA CYS 8 HA CYS 8 3.180 5.584 -6.396 61 HB2 CYS 8 2HB CYS 8 5.766 5.376 -6.834 62 HB3 CYS 8 3HB CYS 8 4.940 4.211 -5.806 63 H ASP 9 H ASP 9 4.271 7.586 -6.857 64 HA ASP 9 HA ASP 9 4.931 8.221 -9.596 65 HB2 ASP 9 2HB ASP 9 3.257 10.248 -9.401 66 HB3 ASP 9 3HB ASP 9 2.704 8.681 -9.986 67 H GLY 10 H GLY 10 6.719 9.392 -9.441 68 HA2 GLY 10 2HA GLY 10 7.340 11.761 -8.661 69 HA3 GLY 10 3HA GLY 10 7.090 11.084 -7.058 70 H VAL 11 H VAL 11 9.023 10.895 -6.134 71 HA VAL 11 HA VAL 11 10.914 9.012 -7.009 72 HB VAL 11 HB VAL 11 11.467 10.656 -8.725 73 HG11 VAL 11 1HG1 VAL 11 12.303 12.854 -8.185 74 HG12 VAL 11 2HG1 VAL 11 10.700 12.651 -7.477 75 HG13 VAL 11 3HG1 VAL 11 12.135 12.531 -6.460 76 HG21 VAL 11 3HG2 VAL 11 13.571 9.969 -8.544 77 HG22 VAL 11 1HG2 VAL 11 13.864 11.126 -7.245 78 HG23 VAL 11 2HG2 VAL 11 13.258 9.512 -6.870 79 H ILE 12 H ILE 12 10.276 11.925 -5.148 80 HA ILE 12 HA ILE 12 12.351 11.762 -3.293 81 HB ILE 12 HB ILE 12 10.818 13.694 -3.494 82 HG12 ILE 12 2HG1 ILE 12 12.162 12.898 -1.328 83 HG13 ILE 12 3HG1 ILE 12 11.169 14.351 -1.330 84 HG21 ILE 12 1HG2 ILE 12 8.864 11.816 -2.184 85 HG22 ILE 12 2HG2 ILE 12 8.649 13.564 -2.245 86 HG23 ILE 12 3HG2 ILE 12 8.702 12.630 -3.739 87 HD11 ILE 12 3HD1 ILE 12 9.990 11.730 -0.527 88 HD12 ILE 12 1HD1 ILE 12 10.962 12.662 0.612 89 HD13 ILE 12 2HD1 ILE 12 9.500 13.364 -0.082 90 H ASN 13 H ASN 13 9.446 9.892 -3.600 91 HA ASN 13 HA ASN 13 10.302 7.862 -1.886 92 HB2 ASN 13 2HB ASN 13 9.973 9.209 0.014 93 HB3 ASN 13 3HB ASN 13 8.494 9.915 -0.632 94 HD21 ASN 13 1HD2 ASN 13 9.638 6.585 -0.190 95 HD22 ASN 13 2HD2 ASN 13 8.264 6.053 0.712 96 H GLN 14 H GLN 14 9.160 6.062 -2.313 97 HA GLN 14 HA GLN 14 6.372 6.076 -2.920 98 HB2 GLN 14 2HB GLN 14 7.133 4.918 -5.271 99 HB3 GLN 14 3HB GLN 14 6.575 6.577 -5.106 100 HG2 GLN 14 2HG GLN 14 8.834 7.383 -5.001 101 HG3 GLN 14 3HG GLN 14 9.461 5.735 -4.985 102 HE21 GLN 14 1HE2 GLN 14 6.916 7.201 -6.954 103 HE22 GLN 14 2HE2 GLN 14 7.670 6.890 -8.476 104 H CYS 15 H CYS 15 8.947 4.025 -4.249 105 HA CYS 15 HA CYS 15 7.974 1.838 -2.528 106 HB2 CYS 15 2HB CYS 15 8.500 1.944 -5.442 107 HB3 CYS 15 3HB CYS 15 9.047 0.493 -4.610 108 H CYS 16 H CYS 16 9.504 0.364 -1.739 109 HA CYS 16 HA CYS 16 12.140 1.501 -1.374 110 HB2 CYS 16 2HB CYS 16 10.448 -0.384 0.023 111 HB3 CYS 16 3HB CYS 16 12.069 -1.038 -0.183 112 H ASP 17 H ASP 17 13.771 -0.664 -1.123 113 HA ASP 17 HA ASP 17 13.955 -1.614 -3.900 114 HB2 ASP 17 2HB ASP 17 15.918 -0.645 -1.955 115 HB3 ASP 17 3HB ASP 17 16.399 -2.146 -2.739 116 HA PRO 18 HA PRO 18 16.002 -3.013 -4.525 117 HB2 PRO 18 2HB PRO 18 15.629 -5.094 -6.228 118 HB3 PRO 18 3HB PRO 18 16.791 -5.138 -4.897 119 HG2 PRO 18 2HG PRO 18 14.028 -6.281 -5.038 120 HG3 PRO 18 3HG PRO 18 15.505 -7.004 -4.374 121 HD2 PRO 18 2HD PRO 18 13.610 -5.866 -2.810 122 HD3 PRO 18 3HD PRO 18 15.335 -5.838 -2.393 123 H TYR 19 H TYR 19 12.675 -3.756 -4.378 124 HA TYR 19 HA TYR 19 11.657 -3.512 -6.873 125 HB2 TYR 19 2HB TYR 19 10.543 -1.935 -4.553 126 HB3 TYR 19 3HB TYR 19 9.660 -2.610 -5.917 127 HD1 TYR 19 HD1 TYR 19 10.869 -5.346 -5.985 128 HD2 TYR 19 HD2 TYR 19 9.505 -2.977 -2.724 129 HE1 TYR 19 HE1 TYR 19 10.429 -7.391 -4.692 130 HE2 TYR 19 HE2 TYR 19 9.063 -5.015 -1.422 131 HH TYR 19 HH TYR 19 10.180 -7.604 -1.617 132 H HIS 20 H HIS 20 10.934 -1.788 -8.203 133 HA HIS 20 HA HIS 20 11.907 0.892 -7.654 134 HB2 HIS 20 2HB HIS 20 13.024 0.979 -9.936 135 HB3 HIS 20 3HB HIS 20 13.870 0.059 -8.695 136 HD1 HIS 20 HD1 HIS 20 12.275 -0.260 -12.009 137 HD2 HIS 20 HD2 HIS 20 13.781 -2.775 -9.064 138 HE1 HIS 20 HE1 HIS 20 12.512 -2.513 -13.104 139 H CYS 21 H CYS 21 10.530 2.376 -8.407 140 HA CYS 21 HA CYS 21 8.134 1.573 -9.717 141 HB2 CYS 21 2HB CYS 21 9.285 4.256 -8.967 142 HB3 CYS 21 3HB CYS 21 7.760 4.107 -9.834 143 H THR 22 H THR 22 7.974 1.109 -11.800 144 HA THR 22 HA THR 22 9.528 2.714 -13.723 145 HB THR 22 HB THR 22 8.856 -0.228 -13.916 146 HG1 THR 22 HG1 THR 22 10.980 -0.543 -13.530 147 HG21 THR 22 3HG2 THR 22 10.040 1.702 -15.891 148 HG22 THR 22 1HG2 THR 22 8.716 0.560 -16.122 149 HG23 THR 22 2HG2 THR 22 10.373 -0.027 -15.977 150 HA PRO 23 HA PRO 23 9.566 3.648 -15.474 151 HB2 PRO 23 2HB PRO 23 8.636 6.120 -16.098 152 HB3 PRO 23 3HB PRO 23 8.641 4.777 -17.247 153 HG2 PRO 23 2HG PRO 23 6.392 5.830 -15.573 154 HG3 PRO 23 3HG PRO 23 6.381 5.324 -17.273 155 HD2 PRO 23 2HD PRO 23 5.474 3.738 -15.275 156 HD3 PRO 23 3HD PRO 23 6.241 3.087 -16.737 157 HA PRO 24 HA PRO 24 10.355 5.661 -11.639 158 HB2 PRO 24 2HB PRO 24 12.413 7.290 -12.336 159 HB3 PRO 24 3HB PRO 24 12.585 5.538 -12.178 160 HG2 PRO 24 2HG PRO 24 12.216 7.190 -14.647 161 HG3 PRO 24 3HG PRO 24 13.308 5.822 -14.370 162 HD2 PRO 24 2HD PRO 24 10.959 5.566 -15.692 163 HD3 PRO 24 3HD PRO 24 11.642 4.263 -14.698 164 H LEU 25 H LEU 25 8.111 6.744 -12.319 165 HA LEU 25 HA LEU 25 8.230 9.412 -11.472 166 HB2 LEU 25 2HB LEU 25 9.026 9.391 -13.993 167 HB3 LEU 25 3HB LEU 25 7.290 9.354 -14.293 168 HG LEU 25 HG LEU 25 8.210 11.624 -14.406 169 HD11 LEU 25 1HD1 LEU 25 6.350 12.527 -13.522 170 HD12 LEU 25 2HD1 LEU 25 6.610 11.784 -11.944 171 HD13 LEU 25 3HD1 LEU 25 5.897 10.843 -13.254 172 HD21 LEU 25 3HD2 LEU 25 9.947 11.053 -12.565 173 HD22 LEU 25 1HD2 LEU 25 8.673 11.555 -11.453 174 HD23 LEU 25 2HD2 LEU 25 9.287 12.687 -12.658 175 H ILE 26 H ILE 26 6.468 6.916 -13.193 176 HA ILE 26 HA ILE 26 4.247 7.029 -11.482 177 HB ILE 26 HB ILE 26 3.622 9.089 -12.513 178 HG12 ILE 26 2HG1 ILE 26 1.915 7.149 -14.028 179 HG13 ILE 26 3HG1 ILE 26 1.928 7.097 -12.269 180 HG21 ILE 26 1HG2 ILE 26 3.161 8.471 -15.215 181 HG22 ILE 26 2HG2 ILE 26 4.348 9.589 -14.549 182 HG23 ILE 26 3HG2 ILE 26 4.789 7.907 -14.843 183 HD11 ILE 26 3HD1 ILE 26 1.587 9.791 -13.251 184 HD12 ILE 26 1HD1 ILE 26 0.348 8.700 -13.870 185 HD13 ILE 26 2HD1 ILE 26 0.594 8.860 -12.130 186 H GLY 27 H GLY 27 3.997 4.882 -11.448 187 HA2 GLY 27 2HA GLY 27 2.752 3.490 -13.525 188 HA3 GLY 27 3HA GLY 27 4.475 3.163 -13.638 189 H ILE 28 H ILE 28 4.754 1.154 -12.908 190 HA ILE 28 HA ILE 28 3.488 0.433 -10.344 191 HB ILE 28 HB ILE 28 4.462 -1.568 -12.369 192 HG12 ILE 28 2HG1 ILE 28 2.804 -0.196 -13.507 193 HG13 ILE 28 3HG1 ILE 28 2.113 -1.771 -13.128 194 HG21 ILE 28 1HG2 ILE 28 4.153 -2.545 -10.249 195 HG22 ILE 28 2HG2 ILE 28 2.650 -1.664 -9.974 196 HG23 ILE 28 3HG2 ILE 28 2.707 -2.957 -11.172 197 HD11 ILE 28 3HD1 ILE 28 1.298 0.881 -12.279 198 HD12 ILE 28 1HD1 ILE 28 0.393 -0.633 -12.306 199 HD13 ILE 28 2HD1 ILE 28 1.442 -0.256 -10.940 200 H CYS 29 H CYS 29 4.717 -1.018 -8.958 201 HA CYS 29 HA CYS 29 7.539 -0.302 -8.957 202 HB2 CYS 29 2HB CYS 29 5.864 -1.752 -6.896 203 HB3 CYS 29 3HB CYS 29 7.544 -1.272 -6.681 204 H LEU 30 H LEU 30 9.171 -1.661 -9.389 205 HA LEU 30 HA LEU 30 8.540 -4.518 -9.726 206 HB2 LEU 30 2HB LEU 30 9.912 -2.618 -11.551 207 HB3 LEU 30 3HB LEU 30 10.522 -4.270 -11.476 208 HG LEU 30 HG LEU 30 8.896 -3.791 -13.331 209 HD11 LEU 30 1HD1 LEU 30 7.738 -5.873 -11.535 210 HD12 LEU 30 2HD1 LEU 30 9.385 -6.055 -12.138 211 HD13 LEU 30 3HD1 LEU 30 8.041 -5.925 -13.271 212 HD21 LEU 30 3HD2 LEU 30 6.692 -4.003 -11.347 213 HD22 LEU 30 1HD2 LEU 30 6.703 -3.277 -12.954 214 HD23 LEU 30 2HD2 LEU 30 7.445 -2.428 -11.598 Start of MODEL 6 1 H1 CYS 1 H CYS 1 9.084 1.163 3.391 2 HA CYS 1 HA CYS 1 7.390 3.064 1.919 3 HB2 CYS 1 2HB CYS 1 9.186 1.371 0.293 4 HB3 CYS 1 3HB CYS 1 8.693 3.045 0.056 5 H ARG 2 H ARG 2 6.942 1.547 -0.337 6 HA ARG 2 HA ARG 2 5.484 -0.754 0.780 7 HB2 ARG 2 2HB ARG 2 4.108 -0.456 -1.395 8 HB3 ARG 2 3HB ARG 2 3.851 0.670 -0.069 9 HG2 ARG 2 2HG ARG 2 5.137 2.358 -1.153 10 HG3 ARG 2 3HG ARG 2 5.674 1.225 -2.395 11 HD2 ARG 2 2HD ARG 2 3.991 2.318 -3.508 12 HD3 ARG 2 3HD ARG 2 3.107 0.953 -2.826 13 HE ARG 2 HE ARG 2 1.931 2.416 -1.517 14 HH11 ARG 2 1HH1 ARG 2 4.749 4.026 -2.777 15 HH12 ARG 2 2HH1 ARG 2 4.276 5.589 -2.199 16 HH21 ARG 2 1HH2 ARG 2 1.297 4.469 -0.750 17 HH22 ARG 2 2HH2 ARG 2 2.313 5.839 -1.045 18 HA PRO 3 HA PRO 3 7.692 -3.581 -1.746 19 HB2 PRO 3 2HB PRO 3 5.755 -5.356 -2.429 20 HB3 PRO 3 3HB PRO 3 6.430 -5.251 -0.798 21 HG2 PRO 3 2HG PRO 3 3.879 -4.110 -1.870 22 HG3 PRO 3 3HG PRO 3 4.176 -4.930 -0.327 23 HD2 PRO 3 2HD PRO 3 4.014 -2.235 -0.538 24 HD3 PRO 3 3HD PRO 3 5.059 -3.038 0.651 25 H TYR 4 H TYR 4 7.032 -5.028 -3.907 26 HA TYR 4 HA TYR 4 6.917 -3.027 -5.984 27 HB2 TYR 4 2HB TYR 4 7.849 -4.601 -7.362 28 HB3 TYR 4 3HB TYR 4 8.343 -5.267 -5.810 29 HD1 TYR 4 HD2 TYR 4 6.493 -6.899 -4.740 30 HD2 TYR 4 HD1 TYR 4 6.941 -6.065 -8.888 31 HE1 TYR 4 HE2 TYR 4 5.357 -9.012 -5.281 32 HE2 TYR 4 HE1 TYR 4 5.805 -8.177 -9.441 33 HH TYR 4 HH TYR 4 3.927 -9.785 -7.617 34 H GLY 5 H GLY 5 5.644 -3.848 -8.062 35 HA2 GLY 5 2HA GLY 5 3.597 -4.152 -9.057 36 HA3 GLY 5 3HA GLY 5 3.195 -5.202 -7.706 37 H TYR 6 H TYR 6 4.130 -2.087 -6.749 38 HA TYR 6 HA TYR 6 1.328 -1.425 -6.185 39 HB2 TYR 6 2HB TYR 6 3.850 -1.067 -4.754 40 HB3 TYR 6 3HB TYR 6 2.880 0.401 -4.803 41 HD1 TYR 6 HD1 TYR 6 0.712 0.500 -3.698 42 HD2 TYR 6 HD2 TYR 6 3.085 -3.028 -3.551 43 HE1 TYR 6 HE1 TYR 6 -0.684 -0.354 -1.863 44 HE2 TYR 6 HE2 TYR 6 1.694 -3.894 -1.716 45 HH TYR 6 HH TYR 6 -0.091 -3.555 -0.441 46 H ARG 7 H ARG 7 0.960 1.050 -6.056 47 HA ARG 7 HA ARG 7 1.814 2.155 -8.630 48 HB2 ARG 7 2HB ARG 7 -0.590 2.046 -8.254 49 HB3 ARG 7 3HB ARG 7 -0.422 2.967 -6.765 50 HG2 ARG 7 2HG ARG 7 -0.828 4.783 -7.969 51 HG3 ARG 7 3HG ARG 7 0.768 4.566 -8.689 52 HD2 ARG 7 2HD ARG 7 -0.071 3.772 -10.635 53 HD3 ARG 7 3HD ARG 7 -1.409 2.942 -9.841 54 HE ARG 7 HE ARG 7 -2.708 4.753 -10.302 55 HH11 ARG 7 1HH1 ARG 7 0.624 5.762 -10.308 56 HH12 ARG 7 2HH1 ARG 7 0.269 7.384 -10.799 57 HH21 ARG 7 1HH2 ARG 7 -3.189 6.886 -10.950 58 HH22 ARG 7 2HH2 ARG 7 -1.901 8.023 -11.164 59 H CYS 8 H CYS 8 3.242 3.754 -8.750 60 HA CYS 8 HA CYS 8 3.640 5.486 -6.409 61 HB2 CYS 8 2HB CYS 8 6.145 5.439 -7.189 62 HB3 CYS 8 3HB CYS 8 5.518 4.159 -6.156 63 H ASP 9 H ASP 9 4.981 7.454 -7.013 64 HA ASP 9 HA ASP 9 4.900 8.268 -9.777 65 HB2 ASP 9 2HB ASP 9 3.458 10.245 -9.363 66 HB3 ASP 9 3HB ASP 9 2.593 8.722 -9.175 67 H GLY 10 H GLY 10 5.318 9.242 -6.398 68 HA2 GLY 10 2HA GLY 10 6.782 11.572 -6.763 69 HA3 GLY 10 3HA GLY 10 6.950 10.497 -5.383 70 H VAL 11 H VAL 11 9.159 11.779 -6.077 71 HA VAL 11 HA VAL 11 10.749 9.770 -7.538 72 HB VAL 11 HB VAL 11 12.353 11.746 -7.941 73 HG11 VAL 11 1HG1 VAL 11 9.695 11.531 -9.348 74 HG12 VAL 11 2HG1 VAL 11 11.080 12.431 -9.969 75 HG13 VAL 11 3HG1 VAL 11 11.189 10.684 -9.749 76 HG21 VAL 11 3HG2 VAL 11 10.636 13.118 -6.366 77 HG22 VAL 11 1HG2 VAL 11 11.702 13.869 -7.554 78 HG23 VAL 11 2HG2 VAL 11 10.018 13.540 -7.962 79 H ILE 12 H ILE 12 10.161 11.186 -4.581 80 HA ILE 12 HA ILE 12 12.878 10.571 -3.621 81 HB ILE 12 HB ILE 12 12.397 12.069 -1.707 82 HG12 ILE 12 2HG1 ILE 12 10.309 13.642 -2.814 83 HG13 ILE 12 3HG1 ILE 12 9.755 11.971 -2.815 84 HG21 ILE 12 1HG2 ILE 12 11.935 13.811 -4.045 85 HG22 ILE 12 2HG2 ILE 12 13.192 13.875 -2.810 86 HG23 ILE 12 3HG2 ILE 12 13.318 12.723 -4.139 87 HD11 ILE 12 3HD1 ILE 12 10.376 13.768 -0.545 88 HD12 ILE 12 1HD1 ILE 12 9.069 12.601 -0.748 89 HD13 ILE 12 2HD1 ILE 12 10.694 12.045 -0.347 90 H ASN 13 H ASN 13 9.498 9.928 -3.306 91 HA ASN 13 HA ASN 13 10.081 7.745 -1.477 92 HB2 ASN 13 2HB ASN 13 9.057 10.172 -0.496 93 HB3 ASN 13 3HB ASN 13 7.687 9.068 -0.550 94 HD21 ASN 13 1HD2 ASN 13 11.140 8.765 0.221 95 HD22 ASN 13 2HD2 ASN 13 10.903 7.972 1.738 96 H GLN 14 H GLN 14 9.129 6.003 -2.278 97 HA GLN 14 HA GLN 14 6.387 6.003 -3.095 98 HB2 GLN 14 2HB GLN 14 7.363 4.916 -5.400 99 HB3 GLN 14 3HB GLN 14 6.771 6.564 -5.241 100 HG2 GLN 14 2HG GLN 14 9.015 7.379 -4.891 101 HG3 GLN 14 3HG GLN 14 9.645 5.732 -4.920 102 HE21 GLN 14 1HE2 GLN 14 11.027 6.356 -6.630 103 HE22 GLN 14 2HE2 GLN 14 10.432 6.499 -8.246 104 H CYS 15 H CYS 15 9.055 4.000 -4.293 105 HA CYS 15 HA CYS 15 8.010 1.776 -2.665 106 HB2 CYS 15 2HB CYS 15 8.729 1.906 -5.555 107 HB3 CYS 15 3HB CYS 15 9.078 0.415 -4.688 108 H CYS 16 H CYS 16 9.445 0.646 -1.488 109 HA CYS 16 HA CYS 16 12.101 1.653 -1.202 110 HB2 CYS 16 2HB CYS 16 10.357 -0.223 0.194 111 HB3 CYS 16 3HB CYS 16 12.030 -0.766 0.149 112 H ASP 17 H ASP 17 13.828 -0.298 -0.889 113 HA ASP 17 HA ASP 17 14.025 -1.492 -3.562 114 HB2 ASP 17 2HB ASP 17 16.406 -1.745 -1.920 115 HB3 ASP 17 3HB ASP 17 16.209 -0.991 -3.499 116 HA PRO 18 HA PRO 18 16.124 -2.881 -4.056 117 HB2 PRO 18 2HB PRO 18 15.833 -5.081 -5.620 118 HB3 PRO 18 3HB PRO 18 16.970 -5.006 -4.267 119 HG2 PRO 18 2HG PRO 18 14.238 -6.223 -4.381 120 HG3 PRO 18 3HG PRO 18 15.717 -6.863 -3.643 121 HD2 PRO 18 2HD PRO 18 13.766 -5.669 -2.194 122 HD3 PRO 18 3HD PRO 18 15.482 -5.571 -1.749 123 H TYR 19 H TYR 19 12.813 -3.702 -3.922 124 HA TYR 19 HA TYR 19 11.904 -3.594 -6.501 125 HB2 TYR 19 2HB TYR 19 10.532 -2.110 -4.263 126 HB3 TYR 19 3HB TYR 19 9.795 -2.913 -5.645 127 HD1 TYR 19 HD1 TYR 19 10.978 -5.539 -5.679 128 HD2 TYR 19 HD2 TYR 19 9.822 -3.172 -2.338 129 HE1 TYR 19 HE1 TYR 19 10.686 -7.582 -4.340 130 HE2 TYR 19 HE2 TYR 19 9.528 -5.208 -0.989 131 HH TYR 19 HH TYR 19 10.745 -7.864 -1.379 132 H HIS 20 H HIS 20 10.913 -1.844 -7.734 133 HA HIS 20 HA HIS 20 11.936 0.834 -7.184 134 HB2 HIS 20 2HB HIS 20 12.855 1.097 -9.423 135 HB3 HIS 20 3HB HIS 20 13.638 -0.256 -8.610 136 HD1 HIS 20 HD1 HIS 20 13.787 -2.327 -9.950 137 HD2 HIS 20 HD2 HIS 20 10.691 0.125 -11.239 138 HE1 HIS 20 HE1 HIS 20 12.834 -3.460 -11.982 139 H CYS 21 H CYS 21 11.210 2.118 -9.464 140 HA CYS 21 HA CYS 21 8.336 1.529 -9.743 141 HB2 CYS 21 2HB CYS 21 9.714 4.158 -9.245 142 HB3 CYS 21 3HB CYS 21 8.125 4.091 -10.001 143 H THR 22 H THR 22 7.815 1.076 -11.766 144 HA THR 22 HA THR 22 9.248 2.449 -13.941 145 HB THR 22 HB THR 22 8.460 -0.471 -13.875 146 HG1 THR 22 HG1 THR 22 11.004 0.811 -14.066 147 HG21 THR 22 3HG2 THR 22 8.057 0.263 -16.089 148 HG22 THR 22 1HG2 THR 22 9.650 -0.492 -16.117 149 HG23 THR 22 2HG2 THR 22 9.508 1.266 -16.102 150 HA PRO 23 HA PRO 23 9.120 3.256 -15.757 151 HB2 PRO 23 2HB PRO 23 8.223 5.725 -16.442 152 HB3 PRO 23 3HB PRO 23 8.037 4.312 -17.487 153 HG2 PRO 23 2HG PRO 23 6.049 5.580 -15.643 154 HG3 PRO 23 3HG PRO 23 5.814 4.967 -17.289 155 HD2 PRO 23 2HD PRO 23 5.086 3.559 -15.094 156 HD3 PRO 23 3HD PRO 23 5.648 2.778 -16.585 157 HA PRO 24 HA PRO 24 10.452 5.494 -12.210 158 HB2 PRO 24 2HB PRO 24 12.431 7.020 -13.269 159 HB3 PRO 24 3HB PRO 24 12.589 5.277 -13.025 160 HG2 PRO 24 2HG PRO 24 11.930 6.787 -15.524 161 HG3 PRO 24 3HG PRO 24 13.023 5.407 -15.305 162 HD2 PRO 24 2HD PRO 24 10.515 5.138 -16.292 163 HD3 PRO 24 3HD PRO 24 11.297 3.879 -15.316 164 H LEU 25 H LEU 25 8.154 6.593 -12.682 165 HA LEU 25 HA LEU 25 8.448 9.312 -12.032 166 HB2 LEU 25 2HB LEU 25 8.925 9.192 -14.580 167 HB3 LEU 25 3HB LEU 25 7.179 8.993 -14.724 168 HG LEU 25 HG LEU 25 7.922 11.316 -15.087 169 HD11 LEU 25 1HD1 LEU 25 6.055 12.159 -14.147 170 HD12 LEU 25 2HD1 LEU 25 6.430 11.511 -12.551 171 HD13 LEU 25 3HD1 LEU 25 5.732 10.463 -13.786 172 HD21 LEU 25 3HD2 LEU 25 9.086 12.553 -13.564 173 HD22 LEU 25 1HD2 LEU 25 9.748 10.958 -13.206 174 HD23 LEU 25 2HD2 LEU 25 8.479 11.634 -12.185 175 H ILE 26 H ILE 26 6.349 6.853 -13.450 176 HA ILE 26 HA ILE 26 4.439 6.995 -11.406 177 HB ILE 26 HB ILE 26 3.819 9.152 -12.306 178 HG12 ILE 26 2HG1 ILE 26 1.730 7.201 -13.269 179 HG13 ILE 26 3HG1 ILE 26 2.063 7.447 -11.558 180 HG21 ILE 26 1HG2 ILE 26 4.446 7.967 -14.784 181 HG22 ILE 26 2HG2 ILE 26 2.741 8.417 -14.849 182 HG23 ILE 26 3HG2 ILE 26 3.961 9.634 -14.468 183 HD11 ILE 26 3HD1 ILE 26 0.677 9.161 -11.558 184 HD12 ILE 26 1HD1 ILE 26 1.712 9.994 -12.718 185 HD13 ILE 26 2HD1 ILE 26 0.401 8.960 -13.288 186 H GLY 27 H GLY 27 3.418 5.098 -11.400 187 HA2 GLY 27 2HA GLY 27 2.009 3.799 -13.274 188 HA3 GLY 27 3HA GLY 27 3.653 3.372 -13.725 189 H ILE 28 H ILE 28 4.147 1.404 -13.050 190 HA ILE 28 HA ILE 28 3.129 0.526 -10.428 191 HB ILE 28 HB ILE 28 3.979 -1.294 -12.675 192 HG12 ILE 28 2HG1 ILE 28 2.067 0.051 -13.415 193 HG13 ILE 28 3HG1 ILE 28 1.589 -1.622 -13.144 194 HG21 ILE 28 1HG2 ILE 28 2.558 -2.913 -11.363 195 HG22 ILE 28 2HG2 ILE 28 4.061 -2.410 -10.590 196 HG23 ILE 28 3HG2 ILE 28 2.527 -1.709 -10.074 197 HD11 ILE 28 3HD1 ILE 28 1.214 -0.118 -10.743 198 HD12 ILE 28 1HD1 ILE 28 0.425 0.699 -12.093 199 HD13 ILE 28 2HD1 ILE 28 0.026 -0.979 -11.723 200 H CYS 29 H CYS 29 4.510 -0.735 -9.101 201 HA CYS 29 HA CYS 29 7.329 -0.061 -9.448 202 HB2 CYS 29 2HB CYS 29 5.831 -1.225 -7.091 203 HB3 CYS 29 3HB CYS 29 7.547 -0.835 -7.093 204 H LEU 30 H LEU 30 8.987 -1.678 -9.018 205 HA LEU 30 HA LEU 30 8.223 -4.465 -9.301 206 HB2 LEU 30 2HB LEU 30 8.842 -2.979 -11.562 207 HB3 LEU 30 3HB LEU 30 10.334 -3.840 -11.187 208 HG LEU 30 HG LEU 30 7.636 -5.022 -11.820 209 HD11 LEU 30 1HD1 LEU 30 8.884 -6.093 -13.645 210 HD12 LEU 30 2HD1 LEU 30 10.331 -5.211 -13.157 211 HD13 LEU 30 3HD1 LEU 30 8.923 -4.332 -13.752 212 HD21 LEU 30 3HD2 LEU 30 8.738 -7.215 -11.512 213 HD22 LEU 30 1HD2 LEU 30 8.572 -6.307 -10.009 214 HD23 LEU 30 2HD2 LEU 30 10.134 -6.385 -10.824 Start of MODEL 7 1 H1 CYS 1 H CYS 1 9.652 1.021 3.462 2 HA CYS 1 HA CYS 1 7.732 2.757 2.064 3 HB2 CYS 1 2HB CYS 1 9.475 0.995 0.461 4 HB3 CYS 1 3HB CYS 1 9.052 2.688 0.221 5 H ARG 2 H ARG 2 7.296 1.179 -0.175 6 HA ARG 2 HA ARG 2 5.699 -1.002 0.984 7 HB2 ARG 2 2HB ARG 2 4.609 -0.746 -1.437 8 HB3 ARG 2 3HB ARG 2 4.113 0.248 -0.073 9 HG2 ARG 2 2HG ARG 2 5.496 2.065 -0.831 10 HG3 ARG 2 3HG ARG 2 6.161 1.064 -2.124 11 HD2 ARG 2 2HD ARG 2 4.415 2.618 -2.915 12 HD3 ARG 2 3HD ARG 2 4.000 0.926 -3.186 13 HE ARG 2 HE ARG 2 2.868 1.572 -0.771 14 HH11 ARG 2 1HH1 ARG 2 2.651 2.760 -4.036 15 HH12 ARG 2 2HH1 ARG 2 1.008 3.284 -3.876 16 HH21 ARG 2 1HH2 ARG 2 0.705 2.257 -0.547 17 HH22 ARG 2 2HH2 ARG 2 -0.099 2.999 -1.890 18 HA PRO 3 HA PRO 3 7.866 -4.112 -1.223 19 HB2 PRO 3 2HB PRO 3 5.871 -5.755 -2.057 20 HB3 PRO 3 3HB PRO 3 6.374 -5.635 -0.367 21 HG2 PRO 3 2HG PRO 3 4.057 -4.340 -1.750 22 HG3 PRO 3 3HG PRO 3 4.118 -5.116 -0.156 23 HD2 PRO 3 2HD PRO 3 4.205 -2.428 -0.472 24 HD3 PRO 3 3HD PRO 3 5.047 -3.262 0.850 25 H TYR 4 H TYR 4 5.087 -4.579 -3.240 26 HA TYR 4 HA TYR 4 6.115 -3.007 -5.436 27 HB2 TYR 4 2HB TYR 4 6.618 -4.774 -6.923 28 HB3 TYR 4 3HB TYR 4 7.410 -5.210 -5.412 29 HD1 TYR 4 HD2 TYR 4 5.932 -6.716 -3.805 30 HD2 TYR 4 HD1 TYR 4 5.376 -6.387 -8.010 31 HE1 TYR 4 HE2 TYR 4 4.766 -8.882 -3.813 32 HE2 TYR 4 HE1 TYR 4 4.207 -8.553 -8.030 33 HH TYR 4 HH TYR 4 4.247 -10.680 -6.478 34 H GLY 5 H GLY 5 4.759 -4.187 -7.523 35 HA2 GLY 5 2HA GLY 5 2.685 -4.116 -8.510 36 HA3 GLY 5 3HA GLY 5 2.170 -5.057 -7.117 37 H TYR 6 H TYR 6 3.459 -1.882 -6.629 38 HA TYR 6 HA TYR 6 0.738 -0.911 -6.048 39 HB2 TYR 6 2HB TYR 6 3.208 -0.855 -4.487 40 HB3 TYR 6 3HB TYR 6 2.445 0.725 -4.619 41 HD1 TYR 6 HD2 TYR 6 -0.107 0.804 -4.079 42 HD2 TYR 6 HD1 TYR 6 2.489 -2.334 -2.849 43 HE1 TYR 6 HE2 TYR 6 -1.699 0.190 -2.307 44 HE2 TYR 6 HE1 TYR 6 0.905 -2.958 -1.075 45 HH TYR 6 HH TYR 6 -2.258 -1.871 -0.970 46 H ARG 7 H ARG 7 0.251 1.270 -6.510 47 HA ARG 7 HA ARG 7 1.598 2.273 -8.852 48 HB2 ARG 7 2HB ARG 7 -0.988 2.528 -7.686 49 HB3 ARG 7 3HB ARG 7 -0.312 4.143 -7.856 50 HG2 ARG 7 2HG ARG 7 -0.439 2.136 -10.093 51 HG3 ARG 7 3HG ARG 7 -1.666 3.369 -9.796 52 HD2 ARG 7 2HD ARG 7 0.712 4.780 -9.770 53 HD3 ARG 7 3HD ARG 7 0.944 3.595 -11.055 54 HE ARG 7 HE ARG 7 -0.502 4.805 -12.329 55 HH11 ARG 7 1HH1 ARG 7 -1.128 5.520 -8.980 56 HH12 ARG 7 2HH1 ARG 7 -2.325 6.723 -9.324 57 HH21 ARG 7 1HH2 ARG 7 -2.077 6.387 -12.796 58 HH22 ARG 7 2HH2 ARG 7 -2.865 7.215 -11.495 59 H CYS 8 H CYS 8 2.875 4.049 -9.027 60 HA CYS 8 HA CYS 8 3.266 5.771 -6.703 61 HB2 CYS 8 2HB CYS 8 5.824 5.550 -7.229 62 HB3 CYS 8 3HB CYS 8 5.031 4.358 -6.205 63 H ASP 9 H ASP 9 4.554 7.709 -7.228 64 HA ASP 9 HA ASP 9 4.923 8.351 -10.021 65 HB2 ASP 9 2HB ASP 9 3.446 10.351 -9.930 66 HB3 ASP 9 3HB ASP 9 2.559 8.833 -9.814 67 H GLY 10 H GLY 10 4.846 9.501 -6.674 68 HA2 GLY 10 2HA GLY 10 6.354 11.820 -6.950 69 HA3 GLY 10 3HA GLY 10 6.309 10.825 -5.501 70 H VAL 11 H VAL 11 8.546 12.304 -6.664 71 HA VAL 11 HA VAL 11 10.336 10.190 -7.591 72 HB VAL 11 HB VAL 11 10.469 12.253 -8.829 73 HG11 VAL 11 1HG1 VAL 11 11.634 14.017 -6.906 74 HG12 VAL 11 2HG1 VAL 11 10.180 14.240 -7.883 75 HG13 VAL 11 3HG1 VAL 11 10.073 13.453 -6.308 76 HG21 VAL 11 3HG2 VAL 11 12.550 11.025 -8.525 77 HG22 VAL 11 1HG2 VAL 11 12.858 12.761 -8.584 78 HG23 VAL 11 2HG2 VAL 11 12.874 11.914 -7.036 79 H ILE 12 H ILE 12 9.752 12.242 -4.822 80 HA ILE 12 HA ILE 12 12.195 11.839 -3.479 81 HB ILE 12 HB ILE 12 9.514 12.283 -2.169 82 HG12 ILE 12 2HG1 ILE 12 10.846 14.730 -2.366 83 HG13 ILE 12 3HG1 ILE 12 11.043 13.991 -3.951 84 HG21 ILE 12 1HG2 ILE 12 11.385 11.678 -0.683 85 HG22 ILE 12 2HG2 ILE 12 12.294 13.058 -1.298 86 HG23 ILE 12 3HG2 ILE 12 10.800 13.318 -0.399 87 HD11 ILE 12 3HD1 ILE 12 9.088 15.148 -4.221 88 HD12 ILE 12 1HD1 ILE 12 8.481 13.561 -3.749 89 HD13 ILE 12 2HD1 ILE 12 8.562 14.863 -2.563 90 H ASN 13 H ASN 13 9.051 10.433 -2.552 91 HA ASN 13 HA ASN 13 10.447 7.915 -1.946 92 HB2 ASN 13 2HB ASN 13 8.162 8.842 -0.239 93 HB3 ASN 13 3HB ASN 13 9.454 7.710 0.151 94 HD21 ASN 13 1HD2 ASN 13 8.435 10.977 0.141 95 HD22 ASN 13 2HD2 ASN 13 9.837 11.651 0.894 96 H GLN 14 H GLN 14 9.183 6.013 -2.112 97 HA GLN 14 HA GLN 14 6.455 6.005 -2.849 98 HB2 GLN 14 2HB GLN 14 7.210 4.971 -5.230 99 HB3 GLN 14 3HB GLN 14 6.726 6.646 -5.001 100 HG2 GLN 14 2HG GLN 14 8.888 7.430 -5.116 101 HG3 GLN 14 3HG GLN 14 9.586 5.877 -4.660 102 HE21 GLN 14 1HE2 GLN 14 10.867 5.368 -6.307 103 HE22 GLN 14 2HE2 GLN 14 10.382 5.287 -7.963 104 H CYS 15 H CYS 15 9.115 4.067 -4.186 105 HA CYS 15 HA CYS 15 8.160 1.796 -2.567 106 HB2 CYS 15 2HB CYS 15 8.610 2.032 -5.470 107 HB3 CYS 15 3HB CYS 15 9.301 0.590 -4.733 108 H CYS 16 H CYS 16 9.718 0.320 -1.833 109 HA CYS 16 HA CYS 16 12.351 1.486 -1.477 110 HB2 CYS 16 2HB CYS 16 10.683 -0.425 -0.060 111 HB3 CYS 16 3HB CYS 16 12.332 -1.012 -0.240 112 H ASP 17 H ASP 17 13.967 -0.701 -1.209 113 HA ASP 17 HA ASP 17 14.120 -1.681 -3.980 114 HB2 ASP 17 2HB ASP 17 16.533 -2.061 -2.409 115 HB3 ASP 17 3HB ASP 17 16.318 -1.235 -3.951 116 HA PRO 18 HA PRO 18 16.141 -3.089 -4.629 117 HB2 PRO 18 2HB PRO 18 15.729 -5.195 -6.291 118 HB3 PRO 18 3HB PRO 18 16.921 -5.221 -4.987 119 HG2 PRO 18 2HG PRO 18 14.154 -6.363 -5.046 120 HG3 PRO 18 3HG PRO 18 15.647 -7.077 -4.407 121 HD2 PRO 18 2HD PRO 18 13.790 -5.914 -2.817 122 HD3 PRO 18 3HD PRO 18 15.524 -5.882 -2.440 123 H TYR 19 H TYR 19 12.820 -3.806 -4.382 124 HA TYR 19 HA TYR 19 11.727 -3.617 -6.847 125 HB2 TYR 19 2HB TYR 19 10.694 -1.930 -4.570 126 HB3 TYR 19 3HB TYR 19 9.770 -2.693 -5.860 127 HD1 TYR 19 HD1 TYR 19 9.810 -5.285 -5.931 128 HD2 TYR 19 HD2 TYR 19 10.907 -2.996 -2.515 129 HE1 TYR 19 HE1 TYR 19 9.422 -7.247 -4.499 130 HE2 TYR 19 HE2 TYR 19 10.523 -4.953 -1.074 131 HH TYR 19 HH TYR 19 9.990 -8.111 -2.365 132 H HIS 20 H HIS 20 10.994 -1.928 -8.212 133 HA HIS 20 HA HIS 20 12.004 0.756 -7.778 134 HB2 HIS 20 2HB HIS 20 13.107 0.778 -10.047 135 HB3 HIS 20 3HB HIS 20 13.938 -0.178 -8.824 136 HD1 HIS 20 HD1 HIS 20 12.182 -0.447 -12.081 137 HD2 HIS 20 HD2 HIS 20 13.840 -2.982 -9.237 138 HE1 HIS 20 HE1 HIS 20 12.345 -2.694 -13.197 139 H CYS 21 H CYS 21 10.598 2.211 -8.525 140 HA CYS 21 HA CYS 21 8.192 1.375 -9.793 141 HB2 CYS 21 2HB CYS 21 9.341 4.051 -9.040 142 HB3 CYS 21 3HB CYS 21 7.850 3.935 -9.967 143 H THR 22 H THR 22 8.011 0.879 -11.867 144 HA THR 22 HA THR 22 9.595 2.412 -13.826 145 HB THR 22 HB THR 22 8.724 -0.480 -13.970 146 HG1 THR 22 HG1 THR 22 11.369 0.505 -14.156 147 HG21 THR 22 3HG2 THR 22 8.533 0.298 -16.179 148 HG22 THR 22 1HG2 THR 22 10.145 -0.409 -16.100 149 HG23 THR 22 2HG2 THR 22 9.945 1.342 -16.026 150 HA PRO 23 HA PRO 23 9.639 3.488 -15.448 151 HB2 PRO 23 2HB PRO 23 8.795 6.026 -15.912 152 HB3 PRO 23 3HB PRO 23 8.753 4.760 -17.144 153 HG2 PRO 23 2HG PRO 23 6.543 5.781 -15.402 154 HG3 PRO 23 3HG PRO 23 6.514 5.386 -17.130 155 HD2 PRO 23 2HD PRO 23 5.551 3.708 -15.235 156 HD3 PRO 23 3HD PRO 23 6.296 3.125 -16.738 157 HA PRO 24 HA PRO 24 10.585 5.390 -11.598 158 HB2 PRO 24 2HB PRO 24 12.357 7.327 -12.293 159 HB3 PRO 24 3HB PRO 24 12.752 5.604 -12.328 160 HG2 PRO 24 2HG PRO 24 11.955 7.412 -14.577 161 HG3 PRO 24 3HG PRO 24 13.225 6.174 -14.533 162 HD2 PRO 24 2HD PRO 24 10.808 5.741 -15.675 163 HD3 PRO 24 3HD PRO 24 11.734 4.452 -14.879 164 H LEU 25 H LEU 25 8.958 7.123 -14.001 165 HA LEU 25 HA LEU 25 8.678 9.544 -12.396 166 HB2 LEU 25 2HB LEU 25 8.978 9.410 -14.973 167 HB3 LEU 25 3HB LEU 25 7.256 9.041 -14.979 168 HG LEU 25 HG LEU 25 7.735 11.416 -15.433 169 HD11 LEU 25 1HD1 LEU 25 5.762 10.373 -13.909 170 HD12 LEU 25 2HD1 LEU 25 5.854 12.066 -14.392 171 HD13 LEU 25 3HD1 LEU 25 6.434 11.570 -12.802 172 HD21 LEU 25 3HD2 LEU 25 9.765 11.535 -13.991 173 HD22 LEU 25 1HD2 LEU 25 8.703 11.532 -12.581 174 HD23 LEU 25 2HD2 LEU 25 8.624 12.858 -13.742 175 H ILE 26 H ILE 26 6.676 6.945 -13.744 176 HA ILE 26 HA ILE 26 4.937 6.878 -11.529 177 HB ILE 26 HB ILE 26 4.059 8.971 -12.361 178 HG12 ILE 26 2HG1 ILE 26 2.218 6.655 -13.001 179 HG13 ILE 26 3HG1 ILE 26 2.455 7.379 -11.415 180 HG21 ILE 26 1HG2 ILE 26 4.836 8.612 -14.715 181 HG22 ILE 26 2HG2 ILE 26 3.428 7.579 -14.955 182 HG23 ILE 26 3HG2 ILE 26 3.215 9.287 -14.566 183 HD11 ILE 26 3HD1 ILE 26 0.930 8.372 -13.749 184 HD12 ILE 26 1HD1 ILE 26 0.540 8.424 -12.030 185 HD13 ILE 26 2HD1 ILE 26 1.709 9.560 -12.705 186 H GLY 27 H GLY 27 4.251 4.846 -11.462 187 HA2 GLY 27 2HA GLY 27 2.873 3.498 -13.463 188 HA3 GLY 27 3HA GLY 27 4.566 3.066 -13.651 189 H ILE 28 H ILE 28 4.778 1.061 -12.897 190 HA ILE 28 HA ILE 28 3.535 0.414 -10.306 191 HB ILE 28 HB ILE 28 4.467 -1.624 -12.314 192 HG12 ILE 28 2HG1 ILE 28 1.675 -0.490 -12.037 193 HG13 ILE 28 3HG1 ILE 28 2.778 -0.137 -13.362 194 HG21 ILE 28 1HG2 ILE 28 4.085 -2.886 -10.495 195 HG22 ILE 28 2HG2 ILE 28 3.099 -1.649 -9.718 196 HG23 ILE 28 3HG2 ILE 28 2.389 -2.703 -10.942 197 HD11 ILE 28 3HD1 ILE 28 2.727 -2.859 -13.383 198 HD12 ILE 28 1HD1 ILE 28 1.080 -2.461 -12.897 199 HD13 ILE 28 2HD1 ILE 28 1.738 -1.811 -14.399 200 H CYS 29 H CYS 29 4.737 -1.028 -8.893 201 HA CYS 29 HA CYS 29 7.574 -0.372 -8.911 202 HB2 CYS 29 2HB CYS 29 5.830 -1.693 -6.823 203 HB3 CYS 29 3HB CYS 29 7.544 -1.351 -6.614 204 H LEU 30 H LEU 30 9.159 -1.766 -9.372 205 HA LEU 30 HA LEU 30 8.481 -4.623 -9.594 206 HB2 LEU 30 2HB LEU 30 9.796 -2.802 -11.530 207 HB3 LEU 30 3HB LEU 30 10.424 -4.444 -11.409 208 HG LEU 30 HG LEU 30 8.711 -4.004 -13.224 209 HD11 LEU 30 1HD1 LEU 30 8.129 -6.186 -13.179 210 HD12 LEU 30 2HD1 LEU 30 7.595 -6.126 -11.500 211 HD13 LEU 30 3HD1 LEU 30 9.315 -6.237 -11.873 212 HD21 LEU 30 3HD2 LEU 30 6.639 -4.279 -11.095 213 HD22 LEU 30 1HD2 LEU 30 6.495 -3.641 -12.732 214 HD23 LEU 30 2HD2 LEU 30 7.281 -2.682 -11.478 Start of MODEL 8 1 H1 CYS 1 H CYS 1 9.695 2.455 3.251 2 HA CYS 1 HA CYS 1 7.665 2.895 2.054 3 HB2 CYS 1 2HB CYS 1 9.258 1.742 -0.179 4 HB3 CYS 1 3HB CYS 1 8.492 3.321 -0.042 5 H ARG 2 H ARG 2 6.904 1.797 -0.392 6 HA ARG 2 HA ARG 2 5.585 -0.640 0.534 7 HB2 ARG 2 2HB ARG 2 4.222 -0.266 -1.611 8 HB3 ARG 2 3HB ARG 2 4.003 0.876 -0.293 9 HG2 ARG 2 2HG ARG 2 5.263 2.538 -1.387 10 HG3 ARG 2 3HG ARG 2 5.894 1.388 -2.567 11 HD2 ARG 2 2HD ARG 2 4.267 2.265 -3.865 12 HD3 ARG 2 3HD ARG 2 3.262 1.097 -3.009 13 HE ARG 2 HE ARG 2 3.458 3.692 -1.753 14 HH11 ARG 2 1HH1 ARG 2 1.709 1.664 -3.977 15 HH12 ARG 2 2HH1 ARG 2 0.238 2.571 -3.851 16 HH21 ARG 2 1HH2 ARG 2 1.527 4.894 -1.578 17 HH22 ARG 2 2HH2 ARG 2 0.136 4.409 -2.487 18 HA PRO 3 HA PRO 3 7.951 -3.341 -1.996 19 HB2 PRO 3 2HB PRO 3 6.112 -5.271 -2.510 20 HB3 PRO 3 3HB PRO 3 6.876 -5.068 -0.930 21 HG2 PRO 3 2HG PRO 3 4.187 -4.146 -1.866 22 HG3 PRO 3 3HG PRO 3 4.637 -4.895 -0.323 23 HD2 PRO 3 2HD PRO 3 4.266 -2.226 -0.593 24 HD3 PRO 3 3HD PRO 3 5.438 -2.917 0.548 25 H TYR 4 H TYR 4 7.238 -4.908 -4.069 26 HA TYR 4 HA TYR 4 6.890 -2.989 -6.193 27 HB2 TYR 4 2HB TYR 4 7.826 -4.555 -7.565 28 HB3 TYR 4 3HB TYR 4 8.398 -5.195 -6.028 29 HD1 TYR 4 HD2 TYR 4 6.737 -6.908 -4.875 30 HD2 TYR 4 HD1 TYR 4 6.782 -6.001 -9.031 31 HE1 TYR 4 HE2 TYR 4 5.626 -9.051 -5.349 32 HE2 TYR 4 HE1 TYR 4 5.671 -8.140 -9.516 33 HH TYR 4 HH TYR 4 4.842 -10.412 -6.912 34 H GLY 5 H GLY 5 5.506 -3.863 -8.145 35 HA2 GLY 5 2HA GLY 5 3.425 -4.352 -8.995 36 HA3 GLY 5 3HA GLY 5 3.128 -5.300 -7.545 37 H TYR 6 H TYR 6 4.039 -2.189 -6.718 38 HA TYR 6 HA TYR 6 1.247 -1.492 -6.160 39 HB2 TYR 6 2HB TYR 6 3.702 -1.240 -4.694 40 HB3 TYR 6 3HB TYR 6 2.995 0.356 -4.920 41 HD1 TYR 6 HD1 TYR 6 0.155 -0.068 -4.747 42 HD2 TYR 6 HD2 TYR 6 3.271 -1.934 -2.532 43 HE1 TYR 6 HE1 TYR 6 -1.420 -0.499 -2.907 44 HE2 TYR 6 HE2 TYR 6 1.705 -2.371 -0.686 45 HH TYR 6 HH TYR 6 -0.669 -1.078 0.056 46 H ARG 7 H ARG 7 1.284 1.169 -5.878 47 HA ARG 7 HA ARG 7 2.011 2.145 -8.561 48 HB2 ARG 7 2HB ARG 7 -0.429 1.994 -8.128 49 HB3 ARG 7 3HB ARG 7 -0.233 3.108 -6.781 50 HG2 ARG 7 2HG ARG 7 -0.544 4.790 -8.180 51 HG3 ARG 7 3HG ARG 7 0.952 4.346 -9.006 52 HD2 ARG 7 2HD ARG 7 -0.380 2.722 -10.363 53 HD3 ARG 7 3HD ARG 7 -1.837 3.390 -9.630 54 HE ARG 7 HE ARG 7 -0.420 5.521 -10.695 55 HH11 ARG 7 1HH1 ARG 7 -1.981 2.627 -11.838 56 HH12 ARG 7 2HH1 ARG 7 -2.373 3.294 -13.388 57 HH21 ARG 7 1HH2 ARG 7 -0.929 6.410 -12.732 58 HH22 ARG 7 2HH2 ARG 7 -1.774 5.445 -13.897 59 H CYS 8 H CYS 8 3.211 3.954 -8.746 60 HA CYS 8 HA CYS 8 3.674 5.591 -6.356 61 HB2 CYS 8 2HB CYS 8 6.149 5.646 -7.426 62 HB3 CYS 8 3HB CYS 8 5.667 4.516 -6.164 63 H ASP 9 H ASP 9 4.973 7.614 -6.984 64 HA ASP 9 HA ASP 9 4.726 8.516 -9.699 65 HB2 ASP 9 2HB ASP 9 3.202 10.403 -9.188 66 HB3 ASP 9 3HB ASP 9 2.419 8.835 -9.009 67 H GLY 10 H GLY 10 5.199 9.411 -6.305 68 HA2 GLY 10 2HA GLY 10 6.720 11.758 -6.880 69 HA3 GLY 10 3HA GLY 10 6.602 10.951 -5.323 70 H VAL 11 H VAL 11 8.952 12.112 -6.541 71 HA VAL 11 HA VAL 11 10.585 9.829 -7.319 72 HB VAL 11 HB VAL 11 10.863 11.935 -8.547 73 HG11 VAL 11 1HG1 VAL 11 12.288 13.272 -6.345 74 HG12 VAL 11 2HG1 VAL 11 11.247 13.946 -7.601 75 HG13 VAL 11 3HG1 VAL 11 10.534 13.187 -6.176 76 HG21 VAL 11 3HG2 VAL 11 13.312 12.073 -8.410 77 HG22 VAL 11 1HG2 VAL 11 13.270 11.161 -6.900 78 HG23 VAL 11 2HG2 VAL 11 12.746 10.402 -8.403 79 H ILE 12 H ILE 12 10.166 12.051 -4.635 80 HA ILE 12 HA ILE 12 12.453 10.967 -3.211 81 HB ILE 12 HB ILE 12 11.792 12.532 -1.407 82 HG12 ILE 12 2HG1 ILE 12 9.998 14.224 -2.769 83 HG13 ILE 12 3HG1 ILE 12 9.349 12.596 -2.938 84 HG21 ILE 12 1HG2 ILE 12 12.745 14.348 -2.424 85 HG22 ILE 12 2HG2 ILE 12 13.168 13.084 -3.577 86 HG23 ILE 12 3HG2 ILE 12 11.803 14.153 -3.902 87 HD11 ILE 12 3HD1 ILE 12 9.931 12.576 -0.326 88 HD12 ILE 12 1HD1 ILE 12 9.615 14.296 -0.549 89 HD13 ILE 12 2HD1 ILE 12 8.381 13.108 -0.975 90 H ASN 13 H ASN 13 9.020 10.551 -3.356 91 HA ASN 13 HA ASN 13 9.198 8.598 -1.161 92 HB2 ASN 13 2HB ASN 13 7.816 10.916 -0.920 93 HB3 ASN 13 3HB ASN 13 6.569 9.879 -1.604 94 HD21 ASN 13 1HD2 ASN 13 7.893 10.949 1.195 95 HD22 ASN 13 2HD2 ASN 13 7.400 9.679 2.257 96 H GLN 14 H GLN 14 8.967 6.640 -2.006 97 HA GLN 14 HA GLN 14 6.656 5.843 -3.403 98 HB2 GLN 14 2HB GLN 14 7.451 5.452 -5.602 99 HB3 GLN 14 3HB GLN 14 7.896 7.109 -5.213 100 HG2 GLN 14 2HG GLN 14 10.147 5.998 -4.464 101 HG3 GLN 14 3HG GLN 14 9.619 4.708 -5.543 102 HE21 GLN 14 1HE2 GLN 14 11.716 6.989 -5.543 103 HE22 GLN 14 2HE2 GLN 14 11.581 7.631 -7.141 104 H CYS 15 H CYS 15 7.514 3.620 -4.752 105 HA CYS 15 HA CYS 15 7.820 1.708 -2.816 106 HB2 CYS 15 2HB CYS 15 8.668 1.679 -5.711 107 HB3 CYS 15 3HB CYS 15 8.752 0.252 -4.683 108 H CYS 16 H CYS 16 9.534 0.514 -1.968 109 HA CYS 16 HA CYS 16 12.066 1.964 -1.885 110 HB2 CYS 16 2HB CYS 16 10.566 0.312 -0.040 111 HB3 CYS 16 3HB CYS 16 12.225 -0.259 -0.185 112 H ASP 17 H ASP 17 13.828 -0.036 -1.242 113 HA ASP 17 HA ASP 17 14.073 -1.424 -3.812 114 HB2 ASP 17 2HB ASP 17 16.470 -1.826 -2.619 115 HB3 ASP 17 3HB ASP 17 16.101 -0.426 -3.623 116 HA PRO 18 HA PRO 18 16.093 -2.916 -4.187 117 HB2 PRO 18 2HB PRO 18 15.728 -5.199 -5.608 118 HB3 PRO 18 3HB PRO 18 16.856 -5.082 -4.253 119 HG2 PRO 18 2HG PRO 18 14.078 -6.197 -4.314 120 HG3 PRO 18 3HG PRO 18 15.526 -6.844 -3.523 121 HD2 PRO 18 2HD PRO 18 13.613 -5.483 -2.173 122 HD3 PRO 18 3HD PRO 18 15.328 -5.423 -1.718 123 H TYR 19 H TYR 19 12.751 -3.600 -4.034 124 HA TYR 19 HA TYR 19 11.832 -3.651 -6.594 125 HB2 TYR 19 2HB TYR 19 10.513 -1.776 -4.664 126 HB3 TYR 19 3HB TYR 19 9.779 -2.913 -5.790 127 HD1 TYR 19 HD1 TYR 19 10.234 -5.448 -5.278 128 HD2 TYR 19 HD2 TYR 19 10.603 -2.321 -2.416 129 HE1 TYR 19 HE1 TYR 19 9.981 -7.088 -3.462 130 HE2 TYR 19 HE2 TYR 19 10.353 -3.953 -0.593 131 HH TYR 19 HH TYR 19 10.872 -6.889 -0.667 132 H HIS 20 H HIS 20 11.063 -2.033 -8.070 133 HA HIS 20 HA HIS 20 12.136 0.659 -7.766 134 HB2 HIS 20 2HB HIS 20 13.146 0.571 -10.052 135 HB3 HIS 20 3HB HIS 20 13.966 -0.447 -8.873 136 HD1 HIS 20 HD1 HIS 20 14.020 -2.944 -9.315 137 HD2 HIS 20 HD2 HIS 20 11.652 -0.857 -12.016 138 HE1 HIS 20 HE1 HIS 20 13.460 -4.590 -11.130 139 H CYS 21 H CYS 21 10.718 2.122 -8.459 140 HA CYS 21 HA CYS 21 8.191 1.421 -9.444 141 HB2 CYS 21 2HB CYS 21 9.678 4.036 -9.307 142 HB3 CYS 21 3HB CYS 21 8.061 3.933 -9.996 143 H THR 22 H THR 22 7.547 0.849 -11.403 144 HA THR 22 HA THR 22 9.154 1.707 -13.722 145 HB THR 22 HB THR 22 9.466 -0.671 -13.411 146 HG1 THR 22 HG1 THR 22 9.311 -0.808 -15.508 147 HG21 THR 22 3HG2 THR 22 6.495 -1.062 -13.703 148 HG22 THR 22 1HG2 THR 22 7.283 -0.952 -12.129 149 HG23 THR 22 2HG2 THR 22 7.715 -2.249 -13.242 150 HA PRO 23 HA PRO 23 9.205 2.624 -15.418 151 HB2 PRO 23 2HB PRO 23 8.789 5.221 -16.092 152 HB3 PRO 23 3HB PRO 23 8.380 3.874 -17.161 153 HG2 PRO 23 2HG PRO 23 6.602 5.464 -15.352 154 HG3 PRO 23 3HG PRO 23 6.307 4.918 -17.013 155 HD2 PRO 23 2HD PRO 23 5.276 3.646 -14.858 156 HD3 PRO 23 3HD PRO 23 5.729 2.789 -16.345 157 HA PRO 24 HA PRO 24 10.901 4.664 -11.911 158 HB2 PRO 24 2HB PRO 24 12.919 6.130 -12.980 159 HB3 PRO 24 3HB PRO 24 12.978 4.369 -12.849 160 HG2 PRO 24 2HG PRO 24 12.295 6.069 -15.215 161 HG3 PRO 24 3HG PRO 24 13.307 4.615 -15.137 162 HD2 PRO 24 2HD PRO 24 10.742 4.560 -16.005 163 HD3 PRO 24 3HD PRO 24 11.490 3.198 -15.148 164 H LEU 25 H LEU 25 8.654 5.927 -12.208 165 HA LEU 25 HA LEU 25 9.156 8.580 -11.415 166 HB2 LEU 25 2HB LEU 25 9.541 8.694 -13.922 167 HB3 LEU 25 3HB LEU 25 7.812 8.400 -14.098 168 HG LEU 25 HG LEU 25 8.527 10.797 -14.295 169 HD11 LEU 25 1HD1 LEU 25 6.750 10.834 -11.974 170 HD12 LEU 25 2HD1 LEU 25 6.266 9.702 -13.237 171 HD13 LEU 25 3HD1 LEU 25 6.486 11.410 -13.620 172 HD21 LEU 25 3HD2 LEU 25 8.649 11.107 -11.385 173 HD22 LEU 25 1HD2 LEU 25 9.587 11.895 -12.653 174 HD23 LEU 25 2HD2 LEU 25 10.041 10.286 -12.090 175 H ILE 26 H ILE 26 6.566 7.093 -13.365 176 HA ILE 26 HA ILE 26 4.835 6.991 -11.032 177 HB ILE 26 HB ILE 26 4.488 9.265 -11.945 178 HG12 ILE 26 2HG1 ILE 26 2.118 7.435 -12.383 179 HG13 ILE 26 3HG1 ILE 26 2.665 8.008 -10.811 180 HG21 ILE 26 1HG2 ILE 26 4.978 8.526 -14.327 181 HG22 ILE 26 2HG2 ILE 26 3.311 7.957 -14.379 182 HG23 ILE 26 3HG2 ILE 26 3.651 9.665 -14.107 183 HD11 ILE 26 3HD1 ILE 26 1.295 9.484 -12.997 184 HD12 ILE 26 1HD1 ILE 26 0.976 9.478 -11.263 185 HD13 ILE 26 2HD1 ILE 26 2.363 10.361 -11.902 186 H GLY 27 H GLY 27 3.240 5.457 -11.178 187 HA2 GLY 27 2HA GLY 27 1.790 4.288 -12.957 188 HA3 GLY 27 3HA GLY 27 3.346 3.771 -13.590 189 H ILE 28 H ILE 28 4.067 1.860 -12.934 190 HA ILE 28 HA ILE 28 2.877 0.696 -10.505 191 HB ILE 28 HB ILE 28 4.277 -1.123 -12.342 192 HG12 ILE 28 2HG1 ILE 28 3.215 0.436 -13.948 193 HG13 ILE 28 3HG1 ILE 28 2.507 -1.175 -14.010 194 HG21 ILE 28 1HG2 ILE 28 3.150 -2.379 -10.859 195 HG22 ILE 28 2HG2 ILE 28 1.985 -1.102 -10.511 196 HG23 ILE 28 3HG2 ILE 28 1.783 -2.112 -11.942 197 HD11 ILE 28 3HD1 ILE 28 1.059 1.060 -13.955 198 HD12 ILE 28 1HD1 ILE 28 0.502 -0.464 -13.264 199 HD13 ILE 28 2HD1 ILE 28 1.201 0.773 -12.220 200 H CYS 29 H CYS 29 4.522 -1.334 -9.936 201 HA CYS 29 HA CYS 29 7.226 -0.218 -9.706 202 HB2 CYS 29 2HB CYS 29 5.437 -1.107 -7.457 203 HB3 CYS 29 3HB CYS 29 7.189 -1.153 -7.295 204 H LEU 30 H LEU 30 8.881 -1.757 -9.410 205 HA LEU 30 HA LEU 30 8.146 -4.579 -9.523 206 HB2 LEU 30 2HB LEU 30 8.773 -3.171 -11.828 207 HB3 LEU 30 3HB LEU 30 10.275 -3.989 -11.403 208 HG LEU 30 HG LEU 30 7.613 -5.215 -12.081 209 HD11 LEU 30 1HD1 LEU 30 10.385 -5.478 -13.235 210 HD12 LEU 30 2HD1 LEU 30 9.005 -4.664 -13.972 211 HD13 LEU 30 3HD1 LEU 30 8.980 -6.413 -13.748 212 HD21 LEU 30 3HD2 LEU 30 8.844 -7.400 -11.640 213 HD22 LEU 30 1HD2 LEU 30 8.287 -6.496 -10.231 214 HD23 LEU 30 2HD2 LEU 30 9.986 -6.438 -10.701 Start of MODEL 9 1 H1 CYS 1 H CYS 1 9.323 1.246 3.250 2 HA CYS 1 HA CYS 1 7.596 3.148 1.806 3 HB2 CYS 1 2HB CYS 1 9.295 1.340 0.200 4 HB3 CYS 1 3HB CYS 1 8.885 3.033 -0.061 5 H ARG 2 H ARG 2 7.067 1.609 -0.422 6 HA ARG 2 HA ARG 2 5.487 -0.583 0.746 7 HB2 ARG 2 2HB ARG 2 4.145 -0.276 -1.448 8 HB3 ARG 2 3HB ARG 2 3.941 0.904 -0.159 9 HG2 ARG 2 2HG ARG 2 5.243 2.511 -1.284 10 HG3 ARG 2 3HG ARG 2 5.864 1.317 -2.426 11 HD2 ARG 2 2HD ARG 2 4.272 2.267 -3.743 12 HD3 ARG 2 3HD ARG 2 3.277 1.044 -2.953 13 HE ARG 2 HE ARG 2 3.353 3.578 -1.583 14 HH11 ARG 2 1HH1 ARG 2 1.766 1.660 -4.018 15 HH12 ARG 2 2HH1 ARG 2 0.277 2.542 -3.927 16 HH21 ARG 2 1HH2 ARG 2 1.398 4.746 -1.455 17 HH22 ARG 2 2HH2 ARG 2 0.069 4.297 -2.470 18 HA PRO 3 HA PRO 3 7.562 -3.598 -1.674 19 HB2 PRO 3 2HB PRO 3 5.539 -5.292 -2.313 20 HB3 PRO 3 3HB PRO 3 6.211 -5.170 -0.682 21 HG2 PRO 3 2HG PRO 3 3.726 -3.933 -1.806 22 HG3 PRO 3 3HG PRO 3 3.974 -4.718 -0.235 23 HD2 PRO 3 2HD PRO 3 3.953 -2.026 -0.532 24 HD3 PRO 3 3HD PRO 3 4.950 -2.844 0.689 25 H TYR 4 H TYR 4 6.828 -5.079 -3.792 26 HA TYR 4 HA TYR 4 6.776 -3.120 -5.925 27 HB2 TYR 4 2HB TYR 4 7.715 -4.733 -7.260 28 HB3 TYR 4 3HB TYR 4 8.218 -5.336 -5.685 29 HD1 TYR 4 HD2 TYR 4 6.372 -6.942 -4.554 30 HD2 TYR 4 HD1 TYR 4 6.838 -6.272 -8.730 31 HE1 TYR 4 HE2 TYR 4 5.261 -9.086 -5.017 32 HE2 TYR 4 HE1 TYR 4 5.727 -8.414 -9.204 33 HH TYR 4 HH TYR 4 5.466 -10.767 -7.508 34 H GLY 5 H GLY 5 5.534 -4.039 -7.997 35 HA2 GLY 5 2HA GLY 5 3.500 -4.396 -9.002 36 HA3 GLY 5 3HA GLY 5 3.074 -5.369 -7.603 37 H TYR 6 H TYR 6 4.010 -2.227 -6.772 38 HA TYR 6 HA TYR 6 1.190 -1.485 -6.391 39 HB2 TYR 6 2HB TYR 6 3.527 -1.331 -4.699 40 HB3 TYR 6 3HB TYR 6 2.800 0.260 -4.895 41 HD1 TYR 6 HD2 TYR 6 0.010 -0.066 -4.888 42 HD2 TYR 6 HD1 TYR 6 2.891 -2.333 -2.728 43 HE1 TYR 6 HE2 TYR 6 -1.701 -0.638 -3.215 44 HE2 TYR 6 HE1 TYR 6 1.188 -2.912 -1.051 45 HH TYR 6 HH TYR 6 -1.056 -1.782 -0.240 46 H ARG 7 H ARG 7 0.819 0.945 -6.372 47 HA ARG 7 HA ARG 7 1.972 2.036 -8.822 48 HB2 ARG 7 2HB ARG 7 -0.601 2.095 -7.639 49 HB3 ARG 7 3HB ARG 7 -0.008 3.750 -7.657 50 HG2 ARG 7 2HG ARG 7 0.356 2.223 -10.151 51 HG3 ARG 7 3HG ARG 7 -1.308 2.608 -9.705 52 HD2 ARG 7 2HD ARG 7 0.691 4.787 -9.506 53 HD3 ARG 7 3HD ARG 7 0.232 4.263 -11.126 54 HE ARG 7 HE ARG 7 -2.025 4.750 -9.432 55 HH11 ARG 7 1HH1 ARG 7 0.329 6.244 -11.518 56 HH12 ARG 7 2HH1 ARG 7 -0.675 7.604 -11.894 57 HH21 ARG 7 1HH2 ARG 7 -3.356 6.536 -9.920 58 HH22 ARG 7 2HH2 ARG 7 -2.771 7.770 -10.985 59 H CYS 8 H CYS 8 2.938 4.066 -8.948 60 HA CYS 8 HA CYS 8 3.398 5.577 -6.509 61 HB2 CYS 8 2HB CYS 8 5.948 5.570 -7.289 62 HB3 CYS 8 3HB CYS 8 5.312 4.373 -6.166 63 H ASP 9 H ASP 9 4.331 7.677 -6.902 64 HA ASP 9 HA ASP 9 4.423 8.535 -9.697 65 HB2 ASP 9 2HB ASP 9 2.990 10.493 -9.200 66 HB3 ASP 9 3HB ASP 9 2.126 8.967 -9.028 67 H GLY 10 H GLY 10 4.902 9.380 -6.291 68 HA2 GLY 10 2HA GLY 10 6.377 11.719 -6.613 69 HA3 GLY 10 3HA GLY 10 6.542 10.610 -5.258 70 H VAL 11 H VAL 11 8.788 11.739 -5.733 71 HA VAL 11 HA VAL 11 10.339 9.798 -7.317 72 HB VAL 11 HB VAL 11 10.322 11.859 -8.572 73 HG11 VAL 11 1HG1 VAL 11 11.473 13.248 -6.160 74 HG12 VAL 11 2HG1 VAL 11 10.988 13.973 -7.695 75 HG13 VAL 11 3HG1 VAL 11 9.769 13.311 -6.605 76 HG21 VAL 11 3HG2 VAL 11 12.431 10.537 -8.401 77 HG22 VAL 11 1HG2 VAL 11 12.678 12.243 -8.776 78 HG23 VAL 11 2HG2 VAL 11 12.968 11.648 -7.142 79 H ILE 12 H ILE 12 10.301 12.067 -4.612 80 HA ILE 12 HA ILE 12 12.849 11.273 -3.590 81 HB ILE 12 HB ILE 12 11.860 13.484 -3.104 82 HG12 ILE 12 2HG1 ILE 12 13.455 12.035 -1.525 83 HG13 ILE 12 3HG1 ILE 12 12.901 13.644 -1.072 84 HG21 ILE 12 1HG2 ILE 12 9.883 11.852 -1.528 85 HG22 ILE 12 2HG2 ILE 12 10.117 13.584 -1.299 86 HG23 ILE 12 3HG2 ILE 12 9.553 12.968 -2.852 87 HD11 ILE 12 3HD1 ILE 12 11.399 12.831 0.477 88 HD12 ILE 12 1HD1 ILE 12 11.331 11.236 -0.272 89 HD13 ILE 12 2HD1 ILE 12 12.760 11.722 0.641 90 H ASN 13 H ASN 13 9.600 10.118 -3.258 91 HA ASN 13 HA ASN 13 10.521 7.820 -1.784 92 HB2 ASN 13 2HB ASN 13 9.519 10.010 -0.321 93 HB3 ASN 13 3HB ASN 13 8.231 8.807 -0.337 94 HD21 ASN 13 1HD2 ASN 13 11.773 8.809 -0.052 95 HD22 ASN 13 2HD2 ASN 13 11.829 7.761 1.321 96 H GLN 14 H GLN 14 9.371 6.068 -2.336 97 HA GLN 14 HA GLN 14 6.593 6.152 -2.981 98 HB2 GLN 14 2HB GLN 14 7.371 5.088 -5.369 99 HB3 GLN 14 3HB GLN 14 6.838 6.748 -5.138 100 HG2 GLN 14 2HG GLN 14 9.101 7.516 -4.976 101 HG3 GLN 14 3HG GLN 14 9.709 5.861 -4.997 102 HE21 GLN 14 1HE2 GLN 14 10.988 6.292 -6.802 103 HE22 GLN 14 2HE2 GLN 14 10.312 6.454 -8.383 104 H CYS 15 H CYS 15 9.171 4.126 -4.343 105 HA CYS 15 HA CYS 15 8.125 1.878 -2.750 106 HB2 CYS 15 2HB CYS 15 8.776 2.094 -5.642 107 HB3 CYS 15 3HB CYS 15 9.205 0.587 -4.840 108 H CYS 16 H CYS 16 9.554 0.695 -1.616 109 HA CYS 16 HA CYS 16 12.207 1.671 -1.280 110 HB2 CYS 16 2HB CYS 16 10.453 -0.237 0.021 111 HB3 CYS 16 3HB CYS 16 12.093 -0.866 -0.108 112 H ASP 17 H ASP 17 13.777 -0.558 -0.974 113 HA ASP 17 HA ASP 17 14.030 -1.513 -3.750 114 HB2 ASP 17 2HB ASP 17 16.233 -1.066 -3.682 115 HB3 ASP 17 3HB ASP 17 15.870 -0.114 -2.244 116 HA PRO 18 HA PRO 18 16.050 -2.893 -4.386 117 HB2 PRO 18 2HB PRO 18 15.662 -5.017 -6.032 118 HB3 PRO 18 3HB PRO 18 16.860 -5.015 -4.730 119 HG2 PRO 18 2HG PRO 18 14.109 -6.198 -4.774 120 HG3 PRO 18 3HG PRO 18 15.612 -6.885 -4.133 121 HD2 PRO 18 2HD PRO 18 13.743 -5.737 -2.546 122 HD3 PRO 18 3HD PRO 18 15.479 -5.677 -2.175 123 H TYR 19 H TYR 19 12.743 -3.594 -4.095 124 HA TYR 19 HA TYR 19 11.601 -3.486 -6.534 125 HB2 TYR 19 2HB TYR 19 10.620 -1.634 -4.374 126 HB3 TYR 19 3HB TYR 19 9.677 -2.544 -5.548 127 HD1 TYR 19 HD2 TYR 19 10.498 -5.246 -5.336 128 HD2 TYR 19 HD1 TYR 19 10.184 -2.354 -2.232 129 HE1 TYR 19 HE2 TYR 19 10.193 -7.052 -3.694 130 HE2 TYR 19 HE1 TYR 19 9.878 -4.152 -0.580 131 HH TYR 19 HH TYR 19 9.457 -7.483 -1.548 132 H HIS 20 H HIS 20 10.888 -1.863 -7.978 133 HA HIS 20 HA HIS 20 11.958 0.822 -7.695 134 HB2 HIS 20 2HB HIS 20 12.979 0.690 -10.013 135 HB3 HIS 20 3HB HIS 20 13.846 -0.173 -8.745 136 HD1 HIS 20 HD1 HIS 20 14.044 -2.701 -8.963 137 HD2 HIS 20 HD2 HIS 20 11.672 -0.975 -11.906 138 HE1 HIS 20 HE1 HIS 20 13.650 -4.515 -10.659 139 H CYS 21 H CYS 21 10.634 2.300 -8.570 140 HA CYS 21 HA CYS 21 8.127 1.498 -9.637 141 HB2 CYS 21 2HB CYS 21 9.473 4.181 -9.338 142 HB3 CYS 21 3HB CYS 21 7.874 4.007 -10.055 143 H THR 22 H THR 22 7.654 0.956 -11.652 144 HA THR 22 HA THR 22 9.300 2.056 -13.835 145 HB THR 22 HB THR 22 8.163 -0.733 -13.593 146 HG1 THR 22 HG1 THR 22 10.417 -1.263 -13.818 147 HG21 THR 22 3HG2 THR 22 7.849 -0.364 -15.843 148 HG22 THR 22 1HG2 THR 22 9.518 -0.929 -15.837 149 HG23 THR 22 2HG2 THR 22 9.171 0.797 -15.949 150 HA PRO 23 HA PRO 23 9.347 2.977 -15.545 151 HB2 PRO 23 2HB PRO 23 8.719 5.532 -16.212 152 HB3 PRO 23 3HB PRO 23 8.486 4.168 -17.311 153 HG2 PRO 23 2HG PRO 23 6.488 5.558 -15.570 154 HG3 PRO 23 3HG PRO 23 6.320 5.010 -17.248 155 HD2 PRO 23 2HD PRO 23 5.318 3.617 -15.153 156 HD3 PRO 23 3HD PRO 23 5.915 2.828 -16.627 157 HA PRO 24 HA PRO 24 10.652 5.057 -11.897 158 HB2 PRO 24 2HB PRO 24 12.697 6.585 -12.820 159 HB3 PRO 24 3HB PRO 24 12.807 4.828 -12.661 160 HG2 PRO 24 2HG PRO 24 12.259 6.480 -15.097 161 HG3 PRO 24 3HG PRO 24 13.311 5.064 -14.919 162 HD2 PRO 24 2HD PRO 24 10.829 4.908 -15.989 163 HD3 PRO 24 3HD PRO 24 11.551 3.581 -15.057 164 H LEU 25 H LEU 25 8.393 6.237 -12.396 165 HA LEU 25 HA LEU 25 8.730 8.910 -11.592 166 HB2 LEU 25 2HB LEU 25 9.312 8.973 -14.087 167 HB3 LEU 25 3HB LEU 25 7.592 8.703 -14.362 168 HG LEU 25 HG LEU 25 8.346 11.087 -14.534 169 HD11 LEU 25 1HD1 LEU 25 6.012 10.061 -13.656 170 HD12 LEU 25 2HD1 LEU 25 6.301 11.782 -13.906 171 HD13 LEU 25 3HD1 LEU 25 6.442 11.090 -12.290 172 HD21 LEU 25 3HD2 LEU 25 9.778 10.607 -12.301 173 HD22 LEU 25 1HD2 LEU 25 8.342 11.353 -11.599 174 HD23 LEU 25 2HD2 LEU 25 9.279 12.217 -12.820 175 H ILE 26 H ILE 26 6.368 7.344 -13.756 176 HA ILE 26 HA ILE 26 4.429 7.298 -11.569 177 HB ILE 26 HB ILE 26 4.067 8.776 -14.159 178 HG12 ILE 26 2HG1 ILE 26 3.110 9.590 -11.430 179 HG13 ILE 26 3HG1 ILE 26 4.798 9.805 -11.881 180 HG21 ILE 26 1HG2 ILE 26 1.945 7.543 -12.425 181 HG22 ILE 26 2HG2 ILE 26 1.623 8.909 -13.493 182 HG23 ILE 26 3HG2 ILE 26 2.174 7.374 -14.166 183 HD11 ILE 26 3HD1 ILE 26 2.366 11.153 -12.946 184 HD12 ILE 26 1HD1 ILE 26 3.894 11.846 -12.406 185 HD13 ILE 26 2HD1 ILE 26 3.804 11.010 -13.957 186 H GLY 27 H GLY 27 3.768 5.259 -11.462 187 HA2 GLY 27 2HA GLY 27 2.303 3.920 -13.353 188 HA3 GLY 27 3HA GLY 27 3.967 3.464 -13.689 189 H ILE 28 H ILE 28 4.293 1.481 -12.937 190 HA ILE 28 HA ILE 28 3.112 0.742 -10.347 191 HB ILE 28 HB ILE 28 4.353 -1.413 -11.886 192 HG12 ILE 28 2HG1 ILE 28 1.976 0.070 -13.026 193 HG13 ILE 28 3HG1 ILE 28 3.554 -0.118 -13.783 194 HG21 ILE 28 1HG2 ILE 28 2.389 -1.077 -9.928 195 HG22 ILE 28 2HG2 ILE 28 1.541 -1.684 -11.349 196 HG23 ILE 28 3HG2 ILE 28 2.901 -2.585 -10.682 197 HD11 ILE 28 3HD1 ILE 28 2.036 -1.626 -14.823 198 HD12 ILE 28 1HD1 ILE 28 3.151 -2.572 -13.839 199 HD13 ILE 28 2HD1 ILE 28 1.513 -2.262 -13.263 200 H CYS 29 H CYS 29 4.650 -1.342 -9.588 201 HA CYS 29 HA CYS 29 7.385 -0.273 -9.404 202 HB2 CYS 29 2HB CYS 29 5.590 -1.195 -7.166 203 HB3 CYS 29 3HB CYS 29 7.342 -1.160 -6.996 204 H LEU 30 H LEU 30 9.034 -1.810 -9.113 205 HA LEU 30 HA LEU 30 8.322 -4.631 -9.155 206 HB2 LEU 30 2HB LEU 30 8.791 -3.303 -11.529 207 HB3 LEU 30 3HB LEU 30 10.348 -4.042 -11.159 208 HG LEU 30 HG LEU 30 7.712 -5.396 -11.664 209 HD11 LEU 30 1HD1 LEU 30 10.442 -5.679 -12.910 210 HD12 LEU 30 2HD1 LEU 30 9.064 -4.833 -13.613 211 HD13 LEU 30 3HD1 LEU 30 8.996 -6.578 -13.368 212 HD21 LEU 30 3HD2 LEU 30 9.163 -7.503 -11.224 213 HD22 LEU 30 1HD2 LEU 30 8.431 -6.654 -9.862 214 HD23 LEU 30 2HD2 LEU 30 10.137 -6.411 -10.238 Start of MODEL 10 1 H1 CYS 1 H CYS 1 9.592 1.413 3.416 2 HA CYS 1 HA CYS 1 7.542 3.043 2.071 3 HB2 CYS 1 2HB CYS 1 9.429 1.510 0.400 4 HB3 CYS 1 3HB CYS 1 8.846 3.162 0.219 5 H ARG 2 H ARG 2 7.163 1.548 -0.195 6 HA ARG 2 HA ARG 2 5.832 -0.836 0.895 7 HB2 ARG 2 2HB ARG 2 4.609 -0.625 -1.426 8 HB3 ARG 2 3HB ARG 2 4.136 0.383 -0.066 9 HG2 ARG 2 2HG ARG 2 5.497 2.214 -0.951 10 HG3 ARG 2 3HG ARG 2 5.954 1.200 -2.322 11 HD2 ARG 2 2HD ARG 2 4.204 2.513 -3.143 12 HD3 ARG 2 3HD ARG 2 3.440 0.974 -2.750 13 HE ARG 2 HE ARG 2 3.190 2.563 -0.504 14 HH11 ARG 2 1HH1 ARG 2 2.172 2.657 -3.831 15 HH12 ARG 2 2HH1 ARG 2 0.731 3.561 -3.501 16 HH21 ARG 2 1HH2 ARG 2 1.297 3.755 -0.056 17 HH22 ARG 2 2HH2 ARG 2 0.235 4.186 -1.354 18 HA PRO 3 HA PRO 3 8.272 -3.613 -1.469 19 HB2 PRO 3 2HB PRO 3 6.446 -5.464 -2.248 20 HB3 PRO 3 3HB PRO 3 7.014 -5.318 -0.581 21 HG2 PRO 3 2HG PRO 3 4.495 -4.282 -1.821 22 HG3 PRO 3 3HG PRO 3 4.726 -5.074 -0.251 23 HD2 PRO 3 2HD PRO 3 4.480 -2.391 -0.505 24 HD3 PRO 3 3HD PRO 3 5.478 -3.143 0.756 25 H TYR 4 H TYR 4 5.459 -4.351 -3.360 26 HA TYR 4 HA TYR 4 6.223 -2.645 -5.570 27 HB2 TYR 4 2HB TYR 4 6.715 -4.386 -7.133 28 HB3 TYR 4 3HB TYR 4 7.720 -4.668 -5.717 29 HD1 TYR 4 HD2 TYR 4 6.832 -6.371 -3.984 30 HD2 TYR 4 HD1 TYR 4 5.379 -6.099 -7.973 31 HE1 TYR 4 HE2 TYR 4 5.959 -8.663 -3.815 32 HE2 TYR 4 HE1 TYR 4 4.501 -8.391 -7.816 33 HH TYR 4 HH TYR 4 4.399 -10.243 -6.581 34 H GLY 5 H GLY 5 4.864 -3.987 -7.599 35 HA2 GLY 5 2HA GLY 5 2.743 -4.083 -8.477 36 HA3 GLY 5 3HA GLY 5 2.370 -5.032 -7.045 37 H TYR 6 H TYR 6 3.426 -1.728 -6.775 38 HA TYR 6 HA TYR 6 0.664 -0.923 -6.143 39 HB2 TYR 6 2HB TYR 6 2.993 -0.936 -4.437 40 HB3 TYR 6 3HB TYR 6 2.385 0.705 -4.629 41 HD1 TYR 6 HD1 TYR 6 -0.103 1.106 -4.159 42 HD2 TYR 6 HD2 TYR 6 1.957 -2.417 -2.954 43 HE1 TYR 6 HE1 TYR 6 -1.860 0.654 -2.499 44 HE2 TYR 6 HE2 TYR 6 0.205 -2.880 -1.291 45 HH TYR 6 HH TYR 6 -2.650 -0.795 -1.002 46 H ARG 7 H ARG 7 0.179 1.325 -6.440 47 HA ARG 7 HA ARG 7 1.475 2.415 -8.769 48 HB2 ARG 7 2HB ARG 7 -0.944 2.550 -8.577 49 HB3 ARG 7 3HB ARG 7 -0.802 3.454 -7.076 50 HG2 ARG 7 2HG ARG 7 -1.339 4.982 -8.823 51 HG3 ARG 7 3HG ARG 7 0.336 5.264 -8.344 52 HD2 ARG 7 2HD ARG 7 1.095 4.768 -10.380 53 HD3 ARG 7 3HD ARG 7 0.136 3.291 -10.455 54 HE ARG 7 HE ARG 7 -1.396 5.686 -10.877 55 HH11 ARG 7 1HH1 ARG 7 0.594 3.257 -12.381 56 HH12 ARG 7 2HH1 ARG 7 -0.085 3.492 -13.957 57 HH21 ARG 7 1HH2 ARG 7 -2.299 6.003 -12.948 58 HH22 ARG 7 2HH2 ARG 7 -1.730 5.055 -14.279 59 H CYS 8 H CYS 8 3.091 3.826 -8.783 60 HA CYS 8 HA CYS 8 3.480 5.565 -6.442 61 HB2 CYS 8 2HB CYS 8 6.002 5.271 -6.965 62 HB3 CYS 8 3HB CYS 8 5.171 3.996 -6.081 63 H ASP 9 H ASP 9 4.321 7.607 -6.857 64 HA ASP 9 HA ASP 9 4.727 8.325 -9.676 65 HB2 ASP 9 2HB ASP 9 3.407 10.367 -9.378 66 HB3 ASP 9 3HB ASP 9 2.424 8.938 -9.068 67 H GLY 10 H GLY 10 5.063 9.328 -6.288 68 HA2 GLY 10 2HA GLY 10 6.726 11.512 -6.582 69 HA3 GLY 10 3HA GLY 10 6.781 10.411 -5.214 70 H VAL 11 H VAL 11 8.959 11.834 -6.571 71 HA VAL 11 HA VAL 11 10.455 9.756 -7.937 72 HB VAL 11 HB VAL 11 10.638 12.045 -8.761 73 HG11 VAL 11 1HG1 VAL 11 12.025 13.647 -7.307 74 HG12 VAL 11 2HG1 VAL 11 10.322 13.423 -6.904 75 HG13 VAL 11 3HG1 VAL 11 11.567 12.600 -5.964 76 HG21 VAL 11 3HG2 VAL 11 13.245 11.184 -7.515 77 HG22 VAL 11 1HG2 VAL 11 12.545 10.459 -8.963 78 HG23 VAL 11 2HG2 VAL 11 13.027 12.156 -8.970 79 H ILE 12 H ILE 12 10.121 11.022 -4.764 80 HA ILE 12 HA ILE 12 12.535 9.565 -3.907 81 HB ILE 12 HB ILE 12 12.798 11.891 -3.387 82 HG12 ILE 12 2HG1 ILE 12 11.995 10.315 -0.931 83 HG13 ILE 12 3HG1 ILE 12 13.588 10.339 -1.680 84 HG21 ILE 12 1HG2 ILE 12 10.369 12.439 -3.505 85 HG22 ILE 12 2HG2 ILE 12 10.191 11.777 -1.881 86 HG23 ILE 12 3HG2 ILE 12 11.213 13.190 -2.150 87 HD11 ILE 12 3HD1 ILE 12 12.221 12.689 -0.390 88 HD12 ILE 12 1HD1 ILE 12 13.503 11.715 0.328 89 HD13 ILE 12 2HD1 ILE 12 13.832 12.687 -1.107 90 H ASN 13 H ASN 13 9.198 10.383 -3.023 91 HA ASN 13 HA ASN 13 9.171 8.272 -1.013 92 HB2 ASN 13 2HB ASN 13 7.881 10.749 -1.246 93 HB3 ASN 13 3HB ASN 13 6.611 9.548 -1.460 94 HD21 ASN 13 1HD2 ASN 13 9.437 10.125 0.608 95 HD22 ASN 13 2HD2 ASN 13 8.666 9.654 2.081 96 H GLN 14 H GLN 14 9.094 6.326 -2.023 97 HA GLN 14 HA GLN 14 6.624 5.481 -3.137 98 HB2 GLN 14 2HB GLN 14 7.289 4.980 -5.386 99 HB3 GLN 14 3HB GLN 14 7.616 6.682 -5.091 100 HG2 GLN 14 2HG GLN 14 10.002 5.777 -4.468 101 HG3 GLN 14 3HG GLN 14 9.506 4.424 -5.482 102 HE21 GLN 14 1HE2 GLN 14 11.156 7.204 -5.523 103 HE22 GLN 14 2HE2 GLN 14 10.956 7.664 -7.176 104 H CYS 15 H CYS 15 7.400 3.236 -4.525 105 HA CYS 15 HA CYS 15 7.876 1.369 -2.565 106 HB2 CYS 15 2HB CYS 15 8.553 1.204 -5.509 107 HB3 CYS 15 3HB CYS 15 8.521 -0.176 -4.418 108 H CYS 16 H CYS 16 9.605 0.561 -1.532 109 HA CYS 16 HA CYS 16 12.134 1.901 -1.827 110 HB2 CYS 16 2HB CYS 16 10.834 0.211 0.150 111 HB3 CYS 16 3HB CYS 16 12.515 -0.248 -0.097 112 H ASP 17 H ASP 17 14.006 -0.012 -1.315 113 HA ASP 17 HA ASP 17 14.121 -1.399 -3.883 114 HB2 ASP 17 2HB ASP 17 16.073 -0.247 -2.040 115 HB3 ASP 17 3HB ASP 17 16.533 -1.851 -2.603 116 HA PRO 18 HA PRO 18 16.189 -2.889 -4.276 117 HB2 PRO 18 2HB PRO 18 15.846 -5.141 -5.753 118 HB3 PRO 18 3HB PRO 18 16.956 -5.053 -4.381 119 HG2 PRO 18 2HG PRO 18 14.181 -6.169 -4.503 120 HG3 PRO 18 3HG PRO 18 15.620 -6.833 -3.707 121 HD2 PRO 18 2HD PRO 18 13.687 -5.504 -2.353 122 HD3 PRO 18 3HD PRO 18 15.395 -5.453 -1.874 123 H TYR 19 H TYR 19 12.845 -3.643 -4.210 124 HA TYR 19 HA TYR 19 11.978 -3.607 -6.783 125 HB2 TYR 19 2HB TYR 19 10.642 -1.885 -4.706 126 HB3 TYR 19 3HB TYR 19 9.895 -2.805 -6.007 127 HD1 TYR 19 HD1 TYR 19 9.914 -5.333 -5.860 128 HD2 TYR 19 HD2 TYR 19 10.950 -2.835 -2.575 129 HE1 TYR 19 HE1 TYR 19 9.536 -7.212 -4.320 130 HE2 TYR 19 HE2 TYR 19 10.576 -4.709 -1.026 131 HH TYR 19 HH TYR 19 10.063 -7.947 -2.146 132 H HIS 20 H HIS 20 11.164 -1.927 -8.186 133 HA HIS 20 HA HIS 20 12.180 0.766 -7.768 134 HB2 HIS 20 2HB HIS 20 13.255 0.785 -10.032 135 HB3 HIS 20 3HB HIS 20 14.075 -0.236 -8.856 136 HD1 HIS 20 HD1 HIS 20 12.233 -0.348 -12.076 137 HD2 HIS 20 HD2 HIS 20 13.879 -3.018 -9.351 138 HE1 HIS 20 HE1 HIS 20 12.295 -2.565 -13.261 139 H CYS 21 H CYS 21 10.792 2.242 -8.516 140 HA CYS 21 HA CYS 21 8.342 1.422 -9.719 141 HB2 CYS 21 2HB CYS 21 9.525 4.109 -9.040 142 HB3 CYS 21 3HB CYS 21 7.978 3.959 -9.867 143 H THR 22 H THR 22 8.154 0.889 -11.785 144 HA THR 22 HA THR 22 9.676 2.438 -13.780 145 HB THR 22 HB THR 22 8.863 -0.472 -13.889 146 HG1 THR 22 HG1 THR 22 11.333 0.897 -13.611 147 HG21 THR 22 3HG2 THR 22 10.210 -0.413 -16.047 148 HG22 THR 22 1HG2 THR 22 10.049 1.342 -15.979 149 HG23 THR 22 2HG2 THR 22 8.610 0.328 -16.099 150 HA PRO 23 HA PRO 23 9.666 3.525 -15.390 151 HB2 PRO 23 2HB PRO 23 8.751 6.042 -15.836 152 HB3 PRO 23 3HB PRO 23 8.725 4.778 -17.070 153 HG2 PRO 23 2HG PRO 23 6.514 5.738 -15.294 154 HG3 PRO 23 3HG PRO 23 6.470 5.346 -17.023 155 HD2 PRO 23 2HD PRO 23 5.578 3.640 -15.120 156 HD3 PRO 23 3HD PRO 23 6.316 3.079 -16.635 157 HA PRO 24 HA PRO 24 10.627 5.471 -11.566 158 HB2 PRO 24 2HB PRO 24 12.274 7.504 -12.292 159 HB3 PRO 24 3HB PRO 24 12.759 5.805 -12.355 160 HG2 PRO 24 2HG PRO 24 11.805 7.585 -14.564 161 HG3 PRO 24 3HG PRO 24 13.139 6.417 -14.566 162 HD2 PRO 24 2HD PRO 24 10.717 5.865 -15.645 163 HD3 PRO 24 3HD PRO 24 11.731 4.620 -14.887 164 H LEU 25 H LEU 25 8.805 7.101 -13.882 165 HA LEU 25 HA LEU 25 8.443 9.490 -12.236 166 HB2 LEU 25 2HB LEU 25 8.668 9.303 -14.879 167 HB3 LEU 25 3HB LEU 25 6.925 9.075 -14.753 168 HG LEU 25 HG LEU 25 7.634 11.416 -15.228 169 HD11 LEU 25 1HD1 LEU 25 6.095 12.432 -13.666 170 HD12 LEU 25 2HD1 LEU 25 6.208 11.031 -12.601 171 HD13 LEU 25 3HD1 LEU 25 5.467 10.870 -14.194 172 HD21 LEU 25 3HD2 LEU 25 8.941 12.642 -13.838 173 HD22 LEU 25 1HD2 LEU 25 9.600 11.050 -13.463 174 HD23 LEU 25 2HD2 LEU 25 8.405 11.784 -12.393 175 H ILE 26 H ILE 26 6.236 7.344 -14.040 176 HA ILE 26 HA ILE 26 4.599 6.980 -11.672 177 HB ILE 26 HB ILE 26 3.557 8.392 -14.125 178 HG12 ILE 26 2HG1 ILE 26 3.550 9.149 -11.194 179 HG13 ILE 26 3HG1 ILE 26 4.623 9.817 -12.419 180 HG21 ILE 26 1HG2 ILE 26 1.943 6.720 -13.559 181 HG22 ILE 26 2HG2 ILE 26 2.044 7.131 -11.847 182 HG23 ILE 26 3HG2 ILE 26 1.341 8.276 -12.989 183 HD11 ILE 26 3HD1 ILE 26 1.757 10.342 -11.913 184 HD12 ILE 26 1HD1 ILE 26 3.052 11.448 -12.367 185 HD13 ILE 26 2HD1 ILE 26 2.321 10.400 -13.582 186 H GLY 27 H GLY 27 3.817 4.972 -11.627 187 HA2 GLY 27 2HA GLY 27 2.569 3.559 -13.618 188 HA3 GLY 27 3HA GLY 27 4.277 3.201 -13.834 189 H ILE 28 H ILE 28 4.571 1.193 -13.110 190 HA ILE 28 HA ILE 28 3.367 0.453 -10.527 191 HB ILE 28 HB ILE 28 4.521 -1.589 -12.376 192 HG12 ILE 28 2HG1 ILE 28 3.109 -0.272 -13.850 193 HG13 ILE 28 3HG1 ILE 28 2.313 -1.800 -13.489 194 HG21 ILE 28 1HG2 ILE 28 3.835 -2.691 -10.520 195 HG22 ILE 28 2HG2 ILE 28 2.627 -1.475 -10.111 196 HG23 ILE 28 3HG2 ILE 28 2.290 -2.664 -11.368 197 HD11 ILE 28 3HD1 ILE 28 0.521 -0.597 -12.992 198 HD12 ILE 28 1HD1 ILE 28 1.376 -0.088 -11.537 199 HD13 ILE 28 2HD1 ILE 28 1.440 0.907 -12.991 200 H CYS 29 H CYS 29 4.683 -1.172 -9.269 201 HA CYS 29 HA CYS 29 7.487 -0.294 -9.248 202 HB2 CYS 29 2HB CYS 29 5.775 -1.495 -7.064 203 HB3 CYS 29 3HB CYS 29 7.489 -1.129 -6.891 204 H LEU 30 H LEU 30 9.123 -1.709 -9.503 205 HA LEU 30 HA LEU 30 8.449 -4.572 -9.651 206 HB2 LEU 30 2HB LEU 30 9.899 -2.829 -11.564 207 HB3 LEU 30 3HB LEU 30 10.500 -4.471 -11.344 208 HG LEU 30 HG LEU 30 8.888 -4.044 -13.275 209 HD11 LEU 30 1HD1 LEU 30 8.246 -6.232 -13.224 210 HD12 LEU 30 2HD1 LEU 30 7.796 -6.180 -11.521 211 HD13 LEU 30 3HD1 LEU 30 9.497 -6.262 -11.980 212 HD21 LEU 30 3HD2 LEU 30 6.737 -4.323 -11.218 213 HD22 LEU 30 1HD2 LEU 30 6.629 -3.761 -12.886 214 HD23 LEU 30 2HD2 LEU 30 7.346 -2.725 -11.653
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