NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9623 | 1ohm | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 3H LYS 1 13.137 5.863 6.818 2 H2 LYS 1 2H LYS 1 12.741 5.040 5.457 3 H3 LYS 1 1H LYS 1 11.892 4.816 6.838 4 HA LYS 1 HA LYS 1 13.778 3.875 7.953 5 1HB LYS 1 1HB LYS 1 12.229 2.575 6.053 6 2HB LYS 1 2HB LYS 1 13.870 2.074 5.626 7 1HG LYS 1 1HG LYS 1 12.656 1.903 8.415 8 2HG LYS 1 2HG LYS 1 12.692 0.593 7.244 9 1HD LYS 1 1HD LYS 1 15.202 0.640 7.252 10 2HD LYS 1 2HD LYS 1 15.158 1.946 8.439 11 1HE LYS 1 1HE LYS 1 15.525 -0.064 9.646 12 2HE LYS 1 2HE LYS 1 13.903 0.493 10.009 13 1HZ LYS 1 3HZ LYS 1 14.496 -1.669 8.042 14 2HZ LYS 1 2HZ LYS 1 13.993 -1.903 9.570 15 3HZ LYS 1 1HZ LYS 1 13.013 -1.155 8.484 16 H TYR 2 H TYR 2 14.787 3.655 4.526 17 HA TYR 2 HA TYR 2 17.397 4.987 5.236 18 1HB TYR 2 1HB TYR 2 16.799 2.921 3.092 19 2HB TYR 2 2HB TYR 2 18.259 3.882 3.159 20 HD1 TYR 2 HD1 TYR 2 16.298 1.309 5.087 21 HD2 TYR 2 HD2 TYR 2 20.106 3.246 4.558 22 HE1 TYR 2 HE1 TYR 2 17.381 -0.431 6.507 23 HE2 TYR 2 HE2 TYR 2 21.192 1.506 5.970 24 HH TYR 2 HH TYR 2 20.873 -0.344 7.258 25 H TYR 3 H TYR 3 14.651 4.777 3.097 26 HA TYR 3 HA TYR 3 14.834 7.653 2.627 27 1HB TYR 3 1HB TYR 3 15.762 6.554 0.599 28 2HB TYR 3 2HB TYR 3 14.256 5.689 0.375 29 HD1 TYR 3 HD1 TYR 3 12.930 6.587 -1.319 30 HD2 TYR 3 HD2 TYR 3 15.319 9.283 1.053 31 HE1 TYR 3 HE1 TYR 3 12.076 8.518 -2.652 32 HE2 TYR 3 HE2 TYR 3 14.438 11.200 -0.240 33 HH TYR 3 HH TYR 3 12.070 10.745 -2.880 34 H GLY 4 H GLY 4 12.335 7.966 1.310 35 1HA GLY 4 2HA GLY 4 10.465 7.468 3.460 36 2HA GLY 4 1HA GLY 4 10.351 6.206 2.256 37 H ASN 5 H ASN 5 10.782 8.384 0.072 38 HA ASN 5 HA ASN 5 7.882 9.176 -0.040 39 1HB ASN 5 1HB ASN 5 9.225 11.126 0.738 40 2HB ASN 5 2HB ASN 5 10.181 11.044 -0.722 41 1HD2 ASN 5 1HD2 ASN 5 8.941 11.236 -2.820 42 2HD2 ASN 5 2HD2 ASN 5 7.550 12.329 -2.828 43 H GLY 6 H GLY 6 7.615 7.316 -1.283 44 1HA GLY 6 2HA GLY 6 8.783 7.176 -4.017 45 2HA GLY 6 1HA GLY 6 7.620 6.056 -3.295 46 H VAL 7 H VAL 7 8.481 4.165 -2.573 47 HA VAL 7 HA VAL 7 9.350 2.782 -1.252 48 HB VAL 7 HB VAL 7 10.468 2.823 -3.607 49 1HG1 VAL 7 2HG1 VAL 7 12.189 4.358 -2.888 50 2HG1 VAL 7 3HG1 VAL 7 12.836 3.142 -1.776 51 3HG1 VAL 7 1HG1 VAL 7 12.861 2.834 -3.562 52 1HG2 VAL 7 3HG2 VAL 7 9.967 0.865 -2.276 53 2HG2 VAL 7 1HG2 VAL 7 11.475 0.717 -3.157 54 3HG2 VAL 7 2HG2 VAL 7 11.543 1.058 -1.413 55 H HIS 8 H HIS 8 10.530 2.020 0.395 56 HA HIS 8 HA HIS 8 11.747 4.094 2.179 57 1HB HIS 8 1HB HIS 8 10.259 1.543 2.879 58 2HB HIS 8 2HB HIS 8 10.917 2.714 4.026 59 HD1 HIS 8 HD1 HIS 8 8.170 2.581 1.260 60 HD2 HIS 8 HD2 HIS 8 9.533 4.922 4.510 61 HE1 HIS 8 HE1 HIS 8 6.672 4.619 1.350 62 HE2 HIS 8 HE2 HIS 8 7.398 5.966 3.428 63 H CYS 9 H CYS 9 12.313 0.992 1.034 64 HA CYS 9 HA CYS 9 14.906 1.519 0.847 65 1HB CYS 9 1HB CYS 9 16.394 0.370 2.088 66 2HB CYS 9 2HB CYS 9 15.308 1.154 3.201 67 H GLY 10 H GLY 10 15.364 -1.748 1.211 68 1HA GLY 10 2HA GLY 10 16.392 -2.272 -1.166 69 2HA GLY 10 1HA GLY 10 14.660 -2.466 -1.567 70 H LYS 11 H LYS 11 16.624 -4.490 -1.712 71 HA LYS 11 HA LYS 11 15.456 -6.770 -0.619 72 1HB LYS 11 1HB LYS 11 17.085 -6.536 -2.530 73 2HB LYS 11 2HB LYS 11 18.388 -6.415 -1.351 74 1HG LYS 11 1HG LYS 11 17.805 -8.711 -0.519 75 2HG LYS 11 2HG LYS 11 16.522 -8.795 -1.730 76 1HD LYS 11 1HD LYS 11 19.485 -8.405 -2.370 77 2HD LYS 11 2HD LYS 11 18.662 -9.982 -2.302 78 1HE LYS 11 1HE LYS 11 17.082 -9.196 -4.065 79 2HE LYS 11 2HE LYS 11 17.996 -7.677 -4.175 80 1HZ LYS 11 2HZ LYS 11 19.935 -8.992 -4.855 81 2HZ LYS 11 1HZ LYS 11 19.079 -10.387 -4.803 82 3HZ LYS 11 3HZ LYS 11 18.704 -9.242 -5.887 83 H HIS 12 H HIS 12 17.561 -4.640 0.975 84 HA HIS 12 HA HIS 12 18.413 -5.835 3.391 85 1HB HIS 12 1HB HIS 12 17.467 -3.149 2.535 86 2HB HIS 12 2HB HIS 12 17.156 -3.512 4.208 87 HD1 HIS 12 HD1 HIS 12 19.133 -2.721 5.691 88 HD2 HIS 12 HD2 HIS 12 20.259 -4.008 1.827 89 HE1 HIS 12 HE1 HIS 12 21.681 -2.429 5.538 90 HE2 HIS 12 HE2 HIS 12 22.366 -3.195 3.183 91 H SER 13 H SER 13 15.123 -4.695 2.733 92 HA SER 13 HA SER 13 13.592 -6.659 3.933 93 1HB SER 13 1HB SER 13 12.945 -5.625 6.143 94 2HB SER 13 2HB SER 13 14.573 -6.307 6.114 95 HG SER 13 HG SER 13 14.654 -4.280 7.054 96 H CYS 14 H CYS 14 13.872 -3.111 3.846 97 HA CYS 14 HA CYS 14 11.138 -2.652 4.311 98 1HB CYS 14 1HB CYS 14 12.524 -0.380 3.125 99 2HB CYS 14 2HB CYS 14 11.680 -0.469 4.606 100 H THR 15 H THR 15 12.727 -1.379 1.414 101 HA THR 15 HA THR 15 11.930 -0.920 -0.694 102 HB THR 15 HB THR 15 10.394 -3.463 -0.472 103 HG1 THR 15 HG1 THR 15 12.558 -3.721 0.172 104 1HG2 THR 15 2HG2 THR 15 10.162 -2.154 -2.683 105 2HG2 THR 15 1HG2 THR 15 11.933 -2.164 -2.773 106 3HG2 THR 15 3HG2 THR 15 11.023 -3.687 -2.901 107 H VAL 16 H VAL 16 8.893 -2.158 -1.102 108 HA VAL 16 HA VAL 16 6.904 -1.166 -1.399 109 HB VAL 16 HB VAL 16 7.347 -0.924 1.561 110 1HG1 VAL 16 2HG1 VAL 16 4.789 -0.331 0.048 111 2HG1 VAL 16 3HG1 VAL 16 4.836 -0.896 1.741 112 3HG1 VAL 16 1HG1 VAL 16 5.579 0.624 1.332 113 1HG2 VAL 16 2HG2 VAL 16 7.305 -3.187 0.528 114 2HG2 VAL 16 3HG2 VAL 16 5.889 -2.924 1.554 115 3HG2 VAL 16 1HG2 VAL 16 5.735 -2.818 -0.211 116 H ASP 17 H ASP 17 7.208 0.438 -2.894 117 HA ASP 17 HA ASP 17 5.943 2.833 -1.646 118 1HB ASP 17 1HB ASP 17 6.262 4.072 -3.495 119 2HB ASP 17 2HB ASP 17 7.689 3.097 -3.579 120 H TRP 18 H TRP 18 5.297 -0.224 -2.560 121 HA TRP 18 HA TRP 18 2.626 0.258 -3.759 122 1HB TRP 18 1HB TRP 18 3.041 -1.898 -4.899 123 2HB TRP 18 2HB TRP 18 4.205 -0.643 -5.267 124 HD1 TRP 18 HD1 TRP 18 6.722 -1.105 -4.632 125 HE1 TRP 18 HE1 TRP 18 8.032 -3.150 -3.811 126 HE3 TRP 18 HE3 TRP 18 2.796 -4.179 -3.425 127 HZ2 TRP 18 HZ2 TRP 18 7.473 -5.695 -2.598 128 HZ3 TRP 18 HZ3 TRP 18 3.251 -6.415 -2.389 129 HH2 TRP 18 HH2 TRP 18 5.561 -7.147 -1.979 130 H GLY 19 H GLY 19 4.211 -1.886 -1.313 131 1HA GLY 19 2HA GLY 19 3.298 -3.539 0.091 132 2HA GLY 19 1HA GLY 19 1.983 -3.613 -0.998 133 H THR 20 H THR 20 2.609 -0.489 0.570 134 HA THR 20 HA THR 20 0.492 -0.656 2.577 135 HB THR 20 HB THR 20 0.602 1.894 2.333 136 HG1 THR 20 HG1 THR 20 2.446 2.632 1.217 137 1HG2 THR 20 3HG2 THR 20 1.851 0.674 4.090 138 2HG2 THR 20 2HG2 THR 20 3.231 0.492 2.962 139 3HG2 THR 20 1HG2 THR 20 2.716 2.102 3.525 140 H ALA 21 H ALA 21 0.615 0.753 -0.722 141 HA ALA 21 HA ALA 21 -2.100 1.430 -0.957 142 1HB ALA 21 3HB ALA 21 -1.691 1.327 -3.384 143 2HB ALA 21 2HB ALA 21 -0.127 0.536 -3.076 144 3HB ALA 21 1HB ALA 21 -0.384 2.186 -2.510 145 H ILE 22 H ILE 22 -0.632 -1.720 -2.078 146 HA ILE 22 HA ILE 22 -3.193 -2.879 -2.604 147 HB ILE 22 HB ILE 22 -2.064 -5.080 -2.519 148 1HG1 ILE 22 1HG1 ILE 22 0.588 -3.771 -2.546 149 2HG1 ILE 22 2HG1 ILE 22 -0.164 -4.216 -0.982 150 1HG2 ILE 22 2HG2 ILE 22 -2.389 -3.849 -4.603 151 2HG2 ILE 22 3HG2 ILE 22 -0.882 -2.932 -4.356 152 3HG2 ILE 22 1HG2 ILE 22 -0.825 -4.669 -4.656 153 1HD1 ILE 22 2HD1 ILE 22 -0.425 -6.563 -1.856 154 2HD1 ILE 22 3HD1 ILE 22 0.502 -6.081 -3.284 155 3HD1 ILE 22 1HD1 ILE 22 1.245 -6.045 -1.659 156 H GLY 23 H GLY 23 -1.462 -2.559 0.416 157 1HA GLY 23 2HA GLY 23 -2.045 -3.091 2.593 158 2HA GLY 23 1HA GLY 23 -2.959 -4.468 1.976 159 H CYS 24 H CYS 24 -3.239 -0.939 1.595 160 HA CYS 24 HA CYS 24 -5.694 -0.437 2.890 161 1HB CYS 24 1HB CYS 24 -4.909 0.854 0.263 162 2HB CYS 24 2HB CYS 24 -5.955 1.491 1.525 163 H ILE 25 H ILE 25 -5.382 -0.983 -0.540 164 HA ILE 25 HA ILE 25 -8.029 -1.502 -1.354 165 HB ILE 25 HB ILE 25 -5.458 -2.728 -2.400 166 1HG1 ILE 25 1HG1 ILE 25 -7.252 -0.800 -3.860 167 2HG1 ILE 25 2HG1 ILE 25 -6.228 -0.181 -2.595 168 1HG2 ILE 25 3HG2 ILE 25 -8.277 -2.961 -3.551 169 2HG2 ILE 25 1HG2 ILE 25 -6.780 -3.294 -4.452 170 3HG2 ILE 25 2HG2 ILE 25 -7.187 -4.298 -3.069 171 1HD1 ILE 25 2HD1 ILE 25 -4.243 -1.183 -3.782 172 2HD1 ILE 25 3HD1 ILE 25 -5.327 -1.653 -5.124 173 3HD1 ILE 25 1HD1 ILE 25 -5.071 0.059 -4.734 174 H GLY 26 H GLY 26 -5.758 -4.207 -0.519 175 1HA GLY 26 2HA GLY 26 -6.177 -6.384 0.032 176 2HA GLY 26 1HA GLY 26 -7.602 -6.233 -0.988 177 H ASN 27 H ASN 27 -6.815 -4.716 2.174 178 HA ASN 27 HA ASN 27 -8.533 -6.276 3.779 179 1HB ASN 27 1HB ASN 27 -6.627 -4.932 4.624 180 2HB ASN 27 2HB ASN 27 -7.466 -3.454 4.189 181 1HD2 ASN 27 1HD2 ASN 27 -7.515 -6.277 6.364 182 2HD2 ASN 27 2HD2 ASN 27 -8.569 -5.525 7.551 183 H ASN 28 H ASN 28 -9.106 -2.937 2.529 184 HA ASN 28 HA ASN 28 -11.785 -2.887 3.539 185 1HB ASN 28 1HB ASN 28 -10.343 -1.073 1.574 186 2HB ASN 28 2HB ASN 28 -11.946 -0.764 2.216 187 1HD2 ASN 28 1HD2 ASN 28 -8.539 -0.668 2.924 188 2HD2 ASN 28 2HD2 ASN 28 -8.717 0.008 4.546 189 H ALA 29 H ALA 29 -10.492 -3.831 0.413 190 HA ALA 29 HA ALA 29 -12.967 -4.102 -1.005 191 1HB ALA 29 1HB ALA 29 -11.776 -5.982 -2.197 192 2HB ALA 29 3HB ALA 29 -10.373 -5.726 -1.142 193 3HB ALA 29 2HB ALA 29 -10.888 -4.439 -2.251 194 H ALA 30 H ALA 30 -11.228 -6.857 0.511 195 HA ALA 30 HA ALA 30 -13.584 -8.401 0.313 196 1HB ALA 30 2HB ALA 30 -11.172 -8.772 2.151 197 2HB ALA 30 1HB ALA 30 -11.301 -9.378 0.508 198 3HB ALA 30 3HB ALA 30 -12.349 -10.044 1.806 199 H ALA 31 H ALA 31 -12.876 -6.084 2.800 200 HA ALA 31 HA ALA 31 -14.846 -6.944 4.716 201 1HB ALA 31 3HB ALA 31 -13.038 -5.336 5.199 202 2HB ALA 31 1HB ALA 31 -13.770 -4.152 4.112 203 3HB ALA 31 2HB ALA 31 -14.626 -4.638 5.569 204 H ASN 32 H ASN 32 -15.111 -5.005 1.703 205 HA ASN 32 HA ASN 32 -18.059 -4.695 2.229 206 1HB ASN 32 1HB ASN 32 -16.038 -3.173 0.596 207 2HB ASN 32 2HB ASN 32 -17.779 -2.894 0.426 208 1HD2 ASN 32 1HD2 ASN 32 -19.006 -2.412 2.601 209 2HD2 ASN 32 2HD2 ASN 32 -18.114 -1.367 3.683 210 H TRP 33 H TRP 33 -15.846 -5.934 -0.175 211 HA TRP 33 HA TRP 33 -17.697 -7.098 -2.059 212 1HB TRP 33 1HB TRP 33 -18.265 -4.655 -2.197 213 2HB TRP 33 2HB TRP 33 -16.542 -4.345 -2.460 214 HD1 TRP 33 HD1 TRP 33 -17.656 -2.955 -4.545 215 HE1 TRP 33 HE1 TRP 33 -18.103 -3.647 -6.974 216 HE3 TRP 33 HE3 TRP 33 -17.077 -7.969 -4.079 217 HZ2 TRP 33 HZ2 TRP 33 -18.392 -6.056 -8.470 218 HZ3 TRP 33 HZ3 TRP 33 -17.430 -9.475 -6.038 219 HH2 TRP 33 HH2 TRP 33 -18.114 -8.520 -8.236 220 H ALA 34 H ALA 34 -15.668 -5.631 -3.963 221 HA ALA 34 HA ALA 34 -13.153 -7.201 -3.686 222 1HB ALA 34 2HB ALA 34 -14.594 -8.104 -5.437 223 2HB ALA 34 1HB ALA 34 -13.206 -7.317 -6.157 224 3HB ALA 34 3HB ALA 34 -14.793 -6.481 -6.141 225 H THR 35 H THR 35 -14.622 -4.101 -3.985 226 HA THR 35 HA THR 35 -12.170 -2.833 -3.210 227 HB THR 35 HB THR 35 -12.314 -0.980 -4.968 228 HG1 THR 35 HG1 THR 35 -13.423 -3.108 -6.460 229 1HG2 THR 35 3HG2 THR 35 -10.494 -2.764 -4.649 230 2HG2 THR 35 2HG2 THR 35 -11.100 -3.429 -6.194 231 3HG2 THR 35 1HG2 THR 35 -10.536 -1.764 -6.112 232 H GLY 36 H GLY 36 -14.375 -3.041 -1.569 233 1HA GLY 36 2HA GLY 36 -14.309 -0.263 -0.948 234 2HA GLY 36 1HA GLY 36 -14.993 -1.522 0.021 235 H GLY 37 H GLY 37 -16.700 -2.019 -2.705 236 1HA GLY 37 2HA GLY 37 -19.006 -0.354 -2.133 237 2HA GLY 37 1HA GLY 37 -18.808 -1.371 -3.541 238 H ASN 38 H ASN 38 -16.559 1.199 -2.648 239 HA ASN 38 HA ASN 38 -17.083 2.722 -5.120 240 1HB ASN 38 1HB ASN 38 -17.794 4.721 -4.059 241 2HB ASN 38 2HB ASN 38 -18.803 3.447 -3.381 242 1HD2 ASN 38 1HD2 ASN 38 -17.231 2.489 -1.185 243 2HD2 ASN 38 2HD2 ASN 38 -17.015 3.856 -0.116 244 H ALA 39 H ALA 39 -14.657 1.451 -3.476 245 HA ALA 39 HA ALA 39 -12.611 1.908 -2.709 246 1HB ALA 39 3HB ALA 39 -12.367 2.001 -5.192 247 2HB ALA 39 1HB ALA 39 -12.416 3.792 -5.081 248 3HB ALA 39 2HB ALA 39 -11.124 2.854 -4.298 249 H GLY 40 H GLY 40 -14.670 3.713 -1.638 250 1HA GLY 40 2HA GLY 40 -14.924 5.518 -0.220 251 2HA GLY 40 1HA GLY 40 -13.467 6.240 -0.924 252 H TRP 41 H TRP 41 -12.296 3.323 0.123 253 HA TRP 41 HA TRP 41 -12.223 3.461 2.949 254 1HB TRP 41 1HB TRP 41 -10.369 1.934 2.819 255 2HB TRP 41 2HB TRP 41 -11.637 1.465 1.720 256 HD1 TRP 41 HD1 TRP 41 -8.069 2.897 1.675 257 HE1 TRP 41 HE1 TRP 41 -6.966 2.188 -0.575 258 HE3 TRP 41 HE3 TRP 41 -11.936 0.366 -0.445 259 HZ2 TRP 41 HZ2 TRP 41 -7.857 1.307 -3.122 260 HZ3 TRP 41 HZ3 TRP 41 -11.727 -0.582 -2.619 261 HH2 TRP 41 HH2 TRP 41 -9.760 -0.082 -4.098 262 H ASN 42 H ASN 42 -9.916 4.692 0.598 263 HA ASN 42 HA ASN 42 -10.184 7.296 1.609 264 1HB ASN 42 1HB ASN 42 -7.934 7.914 2.352 265 2HB ASN 42 2HB ASN 42 -8.570 6.675 3.420 266 1HD2 ASN 42 1HD2 ASN 42 -7.653 4.491 3.267 267 2HD2 ASN 42 2HD2 ASN 42 -6.086 4.274 2.447 268 H LYS 43 H LYS 43 -9.984 5.804 -1.127 269 HA LYS 43 HA LYS 43 -7.999 4.515 -0.722 270 1HB LYS 43 1HB LYS 43 -7.673 3.779 -3.027 271 2HB LYS 43 2HB LYS 43 -9.347 4.141 -2.723 272 1HG LYS 43 1HG LYS 43 -8.972 6.423 -3.809 273 2HG LYS 43 2HG LYS 43 -7.328 5.900 -4.182 274 1HD LYS 43 1HD LYS 43 -8.285 3.892 -5.383 275 2HD LYS 43 2HD LYS 43 -9.897 4.545 -5.129 276 1HE LYS 43 1HE LYS 43 -7.631 5.941 -6.643 277 2HE LYS 43 2HE LYS 43 -8.880 5.011 -7.407 278 1HZ LYS 43 1HZ LYS 43 -9.352 7.472 -5.802 279 2HZ LYS 43 3HZ LYS 43 -9.401 7.377 -7.425 280 3HZ LYS 43 2HZ LYS 43 -10.517 6.597 -6.555 281 H CYS 44 H CYS 44 -6.032 4.006 -0.847 282 HA CYS 44 HA CYS 44 -3.941 5.942 -0.613 283 1HB CYS 44 1HB CYS 44 -3.883 2.910 -0.878 284 2HB CYS 44 2HB CYS 44 -2.493 3.891 -0.415 No H/Q in entry = 284 Start of MODEL 2 1 H1 LYS 1 1H LYS 1 18.388 -1.011 6.164 2 H2 LYS 1 3H LYS 1 17.980 -1.501 4.651 3 H3 LYS 1 2H LYS 1 18.540 0.019 4.911 4 HA LYS 1 HA LYS 1 16.644 0.568 6.238 5 1HB LYS 1 1HB LYS 1 15.899 -0.446 3.450 6 2HB LYS 1 2HB LYS 1 14.870 0.584 4.442 7 1HG LYS 1 1HG LYS 1 17.696 1.369 3.612 8 2HG LYS 1 2HG LYS 1 16.275 1.723 2.646 9 1HD LYS 1 1HD LYS 1 15.289 3.096 4.330 10 2HD LYS 1 2HD LYS 1 16.480 2.619 5.548 11 1HE LYS 1 1HE LYS 1 16.962 4.853 4.805 12 2HE LYS 1 2HE LYS 1 18.275 3.784 4.380 13 1HZ LYS 1 2HZ LYS 1 16.162 4.719 2.512 14 2HZ LYS 1 1HZ LYS 1 17.683 5.263 2.538 15 3HZ LYS 1 3HZ LYS 1 17.398 3.723 2.093 16 H TYR 2 H TYR 2 14.557 -1.708 4.690 17 HA TYR 2 HA TYR 2 14.487 -3.526 7.061 18 1HB TYR 2 1HB TYR 2 12.027 -3.350 7.084 19 2HB TYR 2 2HB TYR 2 12.858 -1.878 7.532 20 HD1 TYR 2 HD1 TYR 2 12.900 0.123 6.030 21 HD2 TYR 2 HD2 TYR 2 10.612 -3.416 5.120 22 HE1 TYR 2 HE1 TYR 2 11.619 1.405 4.316 23 HE2 TYR 2 HE2 TYR 2 9.259 -2.111 3.470 24 HH TYR 2 HH TYR 2 8.937 -0.062 2.473 25 H TYR 3 H TYR 3 15.368 -3.695 4.130 26 HA TYR 3 HA TYR 3 13.602 -5.251 2.583 27 1HB TYR 3 1HB TYR 3 15.235 -4.101 1.465 28 2HB TYR 3 2HB TYR 3 16.525 -4.671 2.482 29 HD1 TYR 3 HD1 TYR 3 18.049 -5.981 1.317 30 HD2 TYR 3 HD2 TYR 3 13.878 -6.377 0.393 31 HE1 TYR 3 HE1 TYR 3 18.577 -7.831 -0.266 32 HE2 TYR 3 HE2 TYR 3 14.376 -8.231 -1.182 33 HH TYR 3 HH TYR 3 16.036 -9.494 -2.148 34 H GLY 4 H GLY 4 12.763 -7.062 3.082 35 1HA GLY 4 2HA GLY 4 13.591 -9.538 3.992 36 2HA GLY 4 1HA GLY 4 14.563 -9.279 2.513 37 H ASN 5 H ASN 5 12.004 -7.712 1.587 38 HA ASN 5 HA ASN 5 10.871 -9.970 0.071 39 1HB ASN 5 1HB ASN 5 9.503 -9.945 2.098 40 2HB ASN 5 2HB ASN 5 9.156 -8.228 1.908 41 1HD2 ASN 5 1HD2 ASN 5 7.247 -7.785 0.807 42 2HD2 ASN 5 2HD2 ASN 5 6.555 -8.842 -0.404 43 H GLY 6 H GLY 6 11.968 -8.891 -1.564 44 1HA GLY 6 2HA GLY 6 10.636 -7.435 -3.481 45 2HA GLY 6 1HA GLY 6 12.342 -7.706 -3.446 46 H VAL 7 H VAL 7 10.764 -5.698 -1.036 47 HA VAL 7 HA VAL 7 11.082 -3.116 -1.950 48 HB VAL 7 HB VAL 7 9.941 -4.312 0.116 49 1HG1 VAL 7 2HG1 VAL 7 12.081 -4.877 1.177 50 2HG1 VAL 7 3HG1 VAL 7 12.395 -3.117 1.396 51 3HG1 VAL 7 1HG1 VAL 7 11.000 -3.894 2.202 52 1HG2 VAL 7 2HG2 VAL 7 10.995 -1.487 0.131 53 2HG2 VAL 7 3HG2 VAL 7 9.505 -2.164 -0.630 54 3HG2 VAL 7 1HG2 VAL 7 9.658 -2.142 1.144 55 H HIS 8 H HIS 8 12.646 -1.580 -1.974 56 HA HIS 8 HA HIS 8 14.966 -2.007 -0.130 57 1HB HIS 8 1HB HIS 8 15.280 -0.545 -2.762 58 2HB HIS 8 2HB HIS 8 16.543 -0.896 -1.584 59 HD1 HIS 8 HD1 HIS 8 14.524 -2.492 -4.299 60 HD2 HIS 8 HD2 HIS 8 17.090 -3.604 -1.185 61 HE1 HIS 8 HE1 HIS 8 14.752 -5.046 -4.429 62 HE2 HIS 8 HE2 HIS 8 16.491 -5.698 -2.599 63 H CYS 9 H CYS 9 12.352 -0.408 -0.423 64 HA CYS 9 HA CYS 9 11.682 0.581 1.326 65 1HB CYS 9 1HB CYS 9 12.595 2.597 2.470 66 2HB CYS 9 2HB CYS 9 13.845 1.459 2.178 67 H GLY 10 H GLY 10 9.452 3.145 0.148 68 1HA GLY 10 2HA GLY 10 11.515 4.247 1.797 69 2HA GLY 10 1HA GLY 10 10.332 3.279 2.727 70 H LYS 11 H LYS 11 10.751 6.028 2.989 71 HA LYS 11 HA LYS 11 8.168 7.306 2.684 72 1HB LYS 11 1HB LYS 11 10.921 8.559 3.082 73 2HB LYS 11 2HB LYS 11 9.385 9.326 3.428 74 1HG LYS 11 1HG LYS 11 10.557 6.958 4.916 75 2HG LYS 11 2HG LYS 11 10.495 8.626 5.473 76 1HD LYS 11 1HD LYS 11 8.051 6.818 4.985 77 2HD LYS 11 2HD LYS 11 8.774 7.242 6.542 78 1HE LYS 11 1HE LYS 11 8.344 9.622 6.165 79 2HE LYS 11 2HE LYS 11 7.616 9.260 4.613 80 1HZ LYS 11 1HZ LYS 11 6.616 8.300 7.233 81 2HZ LYS 11 3HZ LYS 11 5.919 9.488 6.378 82 3HZ LYS 11 2HZ LYS 11 5.905 7.971 5.796 83 H HIS 12 H HIS 12 10.233 6.662 0.273 84 HA HIS 12 HA HIS 12 8.928 8.694 -1.508 85 1HB HIS 12 1HB HIS 12 11.824 7.896 -1.664 86 2HB HIS 12 2HB HIS 12 10.955 9.185 -2.522 87 HD1 HIS 12 HD1 HIS 12 10.201 11.350 -1.036 88 HD2 HIS 12 HD2 HIS 12 12.905 8.608 0.648 89 HE1 HIS 12 HE1 HIS 12 11.337 12.569 0.928 90 HE2 HIS 12 HE2 HIS 12 12.978 10.878 1.963 91 H SER 13 H SER 13 8.832 5.586 -1.017 92 HA SER 13 HA SER 13 8.686 3.600 -2.144 93 1HB SER 13 1HB SER 13 7.817 5.314 -4.490 94 2HB SER 13 2HB SER 13 7.638 3.570 -4.350 95 HG SER 13 HG SER 13 6.482 5.548 -2.673 96 H CYS 14 H CYS 14 10.934 3.477 -1.798 97 HA CYS 14 HA CYS 14 12.911 3.937 -3.853 98 1HB CYS 14 1HB CYS 14 13.336 2.119 -1.508 99 2HB CYS 14 2HB CYS 14 14.478 3.201 -2.274 100 H THR 15 H THR 15 11.565 1.002 -2.409 101 HA THR 15 HA THR 15 10.928 0.301 -5.185 102 HB THR 15 HB THR 15 11.989 -2.128 -3.781 103 HG1 THR 15 HG1 THR 15 13.484 -0.137 -5.038 104 1HG2 THR 15 2HG2 THR 15 11.915 -1.267 -6.711 105 2HG2 THR 15 1HG2 THR 15 12.596 -2.793 -6.107 106 3HG2 THR 15 3HG2 THR 15 10.874 -2.489 -5.955 107 H VAL 16 H VAL 16 9.260 -1.341 -5.503 108 HA VAL 16 HA VAL 16 7.621 -1.861 -3.062 109 HB VAL 16 HB VAL 16 6.705 -0.785 -5.760 110 1HG1 VAL 16 2HG1 VAL 16 5.095 -1.621 -3.295 111 2HG1 VAL 16 3HG1 VAL 16 4.439 -0.659 -4.634 112 3HG1 VAL 16 1HG1 VAL 16 4.978 -2.299 -4.934 113 1HG2 VAL 16 3HG2 VAL 16 6.794 0.434 -2.988 114 2HG2 VAL 16 1HG2 VAL 16 7.639 0.995 -4.456 115 3HG2 VAL 16 2HG2 VAL 16 5.892 1.132 -4.360 116 H ASP 17 H ASP 17 8.125 -4.016 -2.865 117 HA ASP 17 HA ASP 17 6.998 -5.932 -4.845 118 1HB ASP 17 1HB ASP 17 8.708 -6.689 -3.080 119 2HB ASP 17 2HB ASP 17 7.516 -6.332 -1.852 120 H TRP 18 H TRP 18 6.000 -4.073 -2.047 121 HA TRP 18 HA TRP 18 3.435 -5.194 -1.504 122 1HB TRP 18 1HB TRP 18 3.294 -3.200 0.022 123 2HB TRP 18 2HB TRP 18 4.668 -4.235 0.244 124 HD1 TRP 18 HD1 TRP 18 7.112 -3.332 -0.458 125 HE1 TRP 18 HE1 TRP 18 8.040 -0.936 -0.507 126 HE3 TRP 18 HE3 TRP 18 2.705 -0.712 -0.486 127 HZ2 TRP 18 HZ2 TRP 18 7.065 1.719 -0.365 128 HZ3 TRP 18 HZ3 TRP 18 2.754 1.795 -0.319 129 HH2 TRP 18 HH2 TRP 18 4.906 3.014 -0.315 130 H GLY 19 H GLY 19 3.681 -4.197 -4.358 131 1HA GLY 19 2HA GLY 19 2.477 -2.970 -5.909 132 2HA GLY 19 1HA GLY 19 2.149 -1.802 -4.638 133 H THR 20 H THR 20 1.208 -5.188 -4.319 134 HA THR 20 HA THR 20 -1.545 -4.873 -5.094 135 HB THR 20 HB THR 20 -0.412 -6.820 -3.044 136 HG1 THR 20 HG1 THR 20 -0.285 -8.191 -4.827 137 1HG2 THR 20 2HG2 THR 20 -2.896 -6.992 -4.781 138 2HG2 THR 20 1HG2 THR 20 -2.252 -8.291 -3.745 139 3HG2 THR 20 3HG2 THR 20 -2.874 -6.810 -3.009 140 H ALA 21 H ALA 21 0.166 -4.175 -2.054 141 HA ALA 21 HA ALA 21 -2.198 -3.703 -0.467 142 1HB ALA 21 3HB ALA 21 0.605 -2.532 -0.112 143 2HB ALA 21 1HB ALA 21 -0.694 -2.650 1.111 144 3HB ALA 21 2HB ALA 21 0.090 -4.113 0.482 145 H ILE 22 H ILE 22 0.010 -1.471 -2.220 146 HA ILE 22 HA ILE 22 -1.807 0.768 -1.837 147 HB ILE 22 HB ILE 22 -0.496 1.887 -3.752 148 1HG1 ILE 22 1HG1 ILE 22 1.508 -0.284 -3.119 149 2HG1 ILE 22 2HG1 ILE 22 0.547 -0.177 -4.621 150 1HG2 ILE 22 2HG2 ILE 22 0.732 1.081 -1.075 151 2HG2 ILE 22 3HG2 ILE 22 1.261 2.462 -2.048 152 3HG2 ILE 22 1HG2 ILE 22 -0.359 2.462 -1.361 153 1HD1 ILE 22 3HD1 ILE 22 1.529 2.113 -5.011 154 2HD1 ILE 22 1HD1 ILE 22 2.651 1.808 -3.670 155 3HD1 ILE 22 2HD1 ILE 22 2.674 0.776 -5.105 156 H GLY 23 H GLY 23 -1.815 -1.722 -4.282 157 1HA GLY 23 2HA GLY 23 -3.521 -2.386 -5.631 158 2HA GLY 23 1HA GLY 23 -3.815 -0.682 -6.045 159 H CYS 24 H CYS 24 -4.188 -2.798 -3.175 160 HA CYS 24 HA CYS 24 -6.977 -2.640 -2.837 161 1HB CYS 24 1HB CYS 24 -4.751 -3.020 -0.812 162 2HB CYS 24 2HB CYS 24 -6.466 -3.222 -0.449 163 H ILE 25 H ILE 25 -4.923 -0.884 -0.447 164 HA ILE 25 HA ILE 25 -6.404 1.120 0.412 165 HB ILE 25 HB ILE 25 -3.464 1.136 -0.381 166 1HG1 ILE 25 1HG1 ILE 25 -3.185 1.335 2.117 167 2HG1 ILE 25 2HG1 ILE 25 -4.918 1.118 2.302 168 1HG2 ILE 25 2HG2 ILE 25 -4.963 3.387 0.993 169 2HG2 ILE 25 3HG2 ILE 25 -3.188 3.217 0.945 170 3HG2 ILE 25 1HG2 ILE 25 -4.060 3.460 -0.558 171 1HD1 ILE 25 3HD1 ILE 25 -4.618 -1.200 1.338 172 2HD1 ILE 25 1HD1 ILE 25 -2.858 -0.900 1.361 173 3HD1 ILE 25 2HD1 ILE 25 -3.763 -0.898 2.862 174 H GLY 26 H GLY 26 -4.787 1.538 -2.823 175 1HA GLY 26 2HA GLY 26 -4.970 3.260 -4.327 176 2HA GLY 26 1HA GLY 26 -5.740 4.222 -3.057 177 H ASN 27 H ASN 27 -6.552 1.442 -5.186 178 HA ASN 27 HA ASN 27 -8.565 2.869 -6.654 179 1HB ASN 27 1HB ASN 27 -7.911 -0.104 -6.420 180 2HB ASN 27 2HB ASN 27 -9.066 0.569 -7.563 181 1HD2 ASN 27 1HD2 ASN 27 -8.182 2.153 -9.203 182 2HD2 ASN 27 2HD2 ASN 27 -6.502 1.952 -9.675 183 H ASN 28 H ASN 28 -8.750 0.602 -3.906 184 HA ASN 28 HA ASN 28 -11.666 0.781 -3.799 185 1HB ASN 28 1HB ASN 28 -10.094 -1.186 -3.266 186 2HB ASN 28 2HB ASN 28 -9.938 -0.420 -1.692 187 1HD2 ASN 28 2HD2 ASN 28 -12.581 0.417 -1.138 188 2HD2 ASN 28 1HD2 ASN 28 -13.640 -0.978 -1.182 189 H ALA 29 H ALA 29 -9.040 2.735 -2.318 190 HA ALA 29 HA ALA 29 -10.754 4.120 -0.429 191 1HB ALA 29 3HB ALA 29 -8.497 4.919 -0.446 192 2HB ALA 29 1HB ALA 29 -8.533 5.274 -2.178 193 3HB ALA 29 2HB ALA 29 -9.574 6.173 -1.056 194 H ALA 30 H ALA 30 -10.175 4.813 -3.975 195 HA ALA 30 HA ALA 30 -12.230 6.758 -3.878 196 1HB ALA 30 3HB ALA 30 -12.073 6.699 -6.397 197 2HB ALA 30 1HB ALA 30 -10.476 6.696 -5.622 198 3HB ALA 30 2HB ALA 30 -11.144 5.180 -6.272 199 H ALA 31 H ALA 31 -12.588 3.292 -4.281 200 HA ALA 31 HA ALA 31 -15.396 3.364 -4.955 201 1HB ALA 31 3HB ALA 31 -13.854 1.391 -5.326 202 2HB ALA 31 2HB ALA 31 -15.380 1.031 -4.482 203 3HB ALA 31 1HB ALA 31 -13.866 1.121 -3.567 204 H ASN 32 H ASN 32 -13.769 3.697 -1.821 205 HA ASN 32 HA ASN 32 -16.430 3.525 -0.460 206 1HB ASN 32 1HB ASN 32 -15.475 2.668 1.466 207 2HB ASN 32 2HB ASN 32 -14.993 1.662 0.093 208 1HD2 ASN 32 1HD2 ASN 32 -13.350 0.797 1.559 209 2HD2 ASN 32 2HD2 ASN 32 -11.902 1.747 1.824 210 H TRP 33 H TRP 33 -13.856 5.695 -0.955 211 HA TRP 33 HA TRP 33 -14.890 7.991 0.412 212 1HB TRP 33 1HB TRP 33 -14.428 6.455 2.373 213 2HB TRP 33 2HB TRP 33 -12.767 6.362 1.804 214 HD1 TRP 33 HD1 TRP 33 -12.547 7.077 4.482 215 HE1 TRP 33 HE1 TRP 33 -12.426 9.369 5.635 216 HE3 TRP 33 HE3 TRP 33 -13.877 10.012 0.560 217 HZ2 TRP 33 HZ2 TRP 33 -13.060 12.094 5.004 218 HZ3 TRP 33 HZ3 TRP 33 -14.204 12.448 0.845 219 HH2 TRP 33 HH2 TRP 33 -13.816 13.513 3.072 220 H ALA 34 H ALA 34 -12.084 8.443 1.340 221 HA ALA 34 HA ALA 34 -10.346 8.810 -1.036 222 1HB ALA 34 3HB ALA 34 -10.675 10.389 1.541 223 2HB ALA 34 1HB ALA 34 -9.482 10.756 0.274 224 3HB ALA 34 2HB ALA 34 -11.212 10.909 -0.078 225 H THR 35 H THR 35 -10.945 6.773 1.270 226 HA THR 35 HA THR 35 -9.376 4.893 1.596 227 HB THR 35 HB THR 35 -7.706 5.227 3.492 228 HG1 THR 35 HG1 THR 35 -7.682 7.818 2.463 229 1HG2 THR 35 1HG2 THR 35 -6.943 4.574 1.257 230 2HG2 THR 35 3HG2 THR 35 -6.899 6.267 0.755 231 3HG2 THR 35 2HG2 THR 35 -5.818 5.687 2.049 232 H GLY 36 H GLY 36 -11.571 4.326 2.335 233 1HA GLY 36 2HA GLY 36 -10.838 3.705 5.187 234 2HA GLY 36 1HA GLY 36 -11.466 2.569 4.011 235 H GLY 37 H GLY 37 -13.591 4.566 3.163 236 1HA GLY 37 2HA GLY 37 -15.870 4.703 3.563 237 2HA GLY 37 1HA GLY 37 -15.521 4.758 5.291 238 H ASN 38 H ASN 38 -14.289 1.985 3.658 239 HA ASN 38 HA ASN 38 -15.949 0.295 5.350 240 1HB ASN 38 1HB ASN 38 -17.314 0.641 3.193 241 2HB ASN 38 2HB ASN 38 -16.043 -0.169 2.307 242 1HD2 ASN 38 1HD2 ASN 38 -18.303 -0.703 5.112 243 2HD2 ASN 38 2HD2 ASN 38 -18.424 -2.427 4.767 244 H ALA 39 H ALA 39 -15.188 -1.906 5.535 245 HA ALA 39 HA ALA 39 -12.303 -2.201 5.077 246 1HB ALA 39 1HB ALA 39 -13.375 -2.866 7.262 247 2HB ALA 39 3HB ALA 39 -12.570 -4.211 6.491 248 3HB ALA 39 2HB ALA 39 -14.346 -4.044 6.380 249 H GLY 40 H GLY 40 -14.585 -2.478 2.950 250 1HA GLY 40 2HA GLY 40 -14.818 -3.369 0.895 251 2HA GLY 40 1HA GLY 40 -14.548 -4.941 1.650 252 H TRP 41 H TRP 41 -11.864 -2.692 1.759 253 HA TRP 41 HA TRP 41 -10.402 -4.732 0.122 254 1HB TRP 41 1HB TRP 41 -8.791 -3.349 -0.468 255 2HB TRP 41 2HB TRP 41 -10.094 -2.173 -0.406 256 HD1 TRP 41 HD1 TRP 41 -7.368 -3.548 1.992 257 HE1 TRP 41 HE1 TRP 41 -6.471 -1.554 3.391 258 HE3 TRP 41 HE3 TRP 41 -10.483 -0.031 0.384 259 HZ2 TRP 41 HZ2 TRP 41 -6.835 1.330 3.454 260 HZ3 TRP 41 HZ3 TRP 41 -10.194 2.407 0.958 261 HH2 TRP 41 HH2 TRP 41 -8.381 3.059 2.574 262 H ASN 42 H ASN 42 -10.179 -2.787 2.931 263 HA ASN 42 HA ASN 42 -8.029 -3.704 4.208 264 1HB ASN 42 1HB ASN 42 -10.497 -2.791 5.748 265 2HB ASN 42 2HB ASN 42 -8.935 -3.008 6.454 266 1HD2 ASN 42 1HD2 ASN 42 -10.709 -0.775 4.165 267 2HD2 ASN 42 2HD2 ASN 42 -9.208 0.094 3.889 268 H LYS 43 H LYS 43 -10.378 -5.901 3.847 269 HA LYS 43 HA LYS 43 -9.158 -8.060 5.372 270 1HB LYS 43 1HB LYS 43 -9.181 -9.341 3.264 271 2HB LYS 43 2HB LYS 43 -10.753 -8.973 4.012 272 1HG LYS 43 1HG LYS 43 -9.569 -7.657 1.519 273 2HG LYS 43 2HG LYS 43 -10.588 -9.052 1.516 274 1HD LYS 43 1HD LYS 43 -11.399 -6.262 2.394 275 2HD LYS 43 2HD LYS 43 -11.856 -7.061 0.933 276 1HE LYS 43 1HE LYS 43 -12.651 -7.987 3.734 277 2HE LYS 43 2HE LYS 43 -13.662 -7.026 2.644 278 1HZ LYS 43 2HZ LYS 43 -12.661 -9.760 2.071 279 2HZ LYS 43 1HZ LYS 43 -14.185 -9.399 2.523 280 3HZ LYS 43 3HZ LYS 43 -13.615 -8.889 1.083 281 H CYS 44 H CYS 44 -7.999 -6.771 2.341 282 HA CYS 44 HA CYS 44 -5.693 -8.198 1.861 283 1HB CYS 44 1HB CYS 44 -6.983 -6.829 0.277 284 2HB CYS 44 2HB CYS 44 -6.526 -5.374 1.148 No H/Q in entry = 284 Start of MODEL 3 1 H1 LYS 1 2H LYS 1 -18.571 0.979 -2.501 2 H2 LYS 1 1H LYS 1 -19.928 0.096 -2.687 3 H3 LYS 1 3H LYS 1 -19.642 0.880 -1.257 4 HA LYS 1 HA LYS 1 -17.733 -0.491 -0.837 5 1HB LYS 1 1HB LYS 1 -20.066 -1.118 -0.020 6 2HB LYS 1 2HB LYS 1 -20.160 -2.262 -1.366 7 1HG LYS 1 1HG LYS 1 -18.139 -3.427 -0.460 8 2HG LYS 1 2HG LYS 1 -18.106 -2.267 0.885 9 1HD LYS 1 1HD LYS 1 -20.339 -3.067 1.591 10 2HD LYS 1 2HD LYS 1 -20.406 -4.176 0.207 11 1HE LYS 1 1HE LYS 1 -18.258 -5.226 1.062 12 2HE LYS 1 2HE LYS 1 -18.460 -4.287 2.544 13 1HZ LYS 1 2HZ LYS 1 -20.642 -5.364 2.778 14 2HZ LYS 1 1HZ LYS 1 -20.330 -6.309 1.469 15 3HZ LYS 1 3HZ LYS 1 -19.431 -6.479 2.796 16 H TYR 2 H TYR 2 -16.458 -2.388 -1.427 17 HA TYR 2 HA TYR 2 -15.343 -3.812 -2.700 18 1HB TYR 2 1HB TYR 2 -17.533 -3.865 -4.773 19 2HB TYR 2 2HB TYR 2 -16.315 -5.074 -4.435 20 HD1 TYR 2 HD1 TYR 2 -19.667 -4.083 -3.818 21 HD2 TYR 2 HD2 TYR 2 -16.313 -6.101 -2.022 22 HE1 TYR 2 HE1 TYR 2 -21.241 -5.311 -2.347 23 HE2 TYR 2 HE2 TYR 2 -17.885 -7.350 -0.524 24 HH TYR 2 HH TYR 2 -21.401 -7.012 -0.734 25 H TYR 3 H TYR 3 -15.163 -0.850 -3.144 26 HA TYR 3 HA TYR 3 -14.319 -0.191 -5.752 27 1HB TYR 3 1HB TYR 3 -14.717 1.530 -4.218 28 2HB TYR 3 2HB TYR 3 -13.751 0.790 -2.954 29 HD1 TYR 3 HD1 TYR 3 -11.424 1.235 -2.734 30 HD2 TYR 3 HD2 TYR 3 -13.591 2.724 -6.138 31 HE1 TYR 3 HE1 TYR 3 -9.454 2.637 -3.370 32 HE2 TYR 3 HE2 TYR 3 -11.669 4.130 -6.763 33 HH TYR 3 HH TYR 3 -9.504 4.817 -6.197 34 H GLY 4 H GLY 4 -12.334 -1.342 -3.022 35 1HA GLY 4 2HA GLY 4 -11.006 -3.323 -4.449 36 2HA GLY 4 1HA GLY 4 -10.498 -2.690 -2.885 37 H ASN 5 H ASN 5 -10.125 -0.077 -4.621 38 HA ASN 5 HA ASN 5 -7.480 -0.760 -5.886 39 1HB ASN 5 1HB ASN 5 -9.599 1.284 -6.524 40 2HB ASN 5 2HB ASN 5 -7.902 1.567 -6.976 41 1HD2 ASN 5 1HD2 ASN 5 -10.600 -0.829 -7.402 42 2HD2 ASN 5 2HD2 ASN 5 -9.957 -1.374 -8.949 43 H GLY 6 H GLY 6 -8.181 -0.106 -2.960 44 1HA GLY 6 2HA GLY 6 -6.394 2.226 -2.387 45 2HA GLY 6 1HA GLY 6 -5.899 0.625 -1.844 46 H VAL 7 H VAL 7 -9.323 1.249 -1.771 47 HA VAL 7 HA VAL 7 -9.356 1.400 1.175 48 HB VAL 7 HB VAL 7 -10.270 3.220 -0.959 49 1HG1 VAL 7 2HG1 VAL 7 -12.528 2.307 -0.465 50 2HG1 VAL 7 3HG1 VAL 7 -12.300 2.742 1.260 51 3HG1 VAL 7 1HG1 VAL 7 -12.320 3.998 0.006 52 1HG2 VAL 7 1HG2 VAL 7 -8.762 3.723 0.843 53 2HG2 VAL 7 2HG2 VAL 7 -10.212 4.761 0.934 54 3HG2 VAL 7 3HG2 VAL 7 -10.033 3.366 2.040 55 H HIS 8 H HIS 8 -11.198 0.791 2.164 56 HA HIS 8 HA HIS 8 -13.400 -0.462 0.750 57 1HB HIS 8 1HB HIS 8 -13.592 -2.353 2.047 58 2HB HIS 8 2HB HIS 8 -11.919 -2.373 1.541 59 HD1 HIS 8 HD1 HIS 8 -10.665 -0.556 3.857 60 HD2 HIS 8 HD2 HIS 8 -13.716 -3.397 4.391 61 HE1 HIS 8 HE1 HIS 8 -10.684 -1.082 6.319 62 HE2 HIS 8 HE2 HIS 8 -12.475 -2.897 6.685 63 H CYS 9 H CYS 9 -15.295 0.107 1.568 64 HA CYS 9 HA CYS 9 -15.430 1.934 3.925 65 1HB CYS 9 1HB CYS 9 -17.430 1.223 1.777 66 2HB CYS 9 2HB CYS 9 -17.671 2.457 3.001 67 H GLY 10 H GLY 10 -14.867 -0.006 5.202 68 1HA GLY 10 2HA GLY 10 -15.250 -1.786 6.551 69 2HA GLY 10 1HA GLY 10 -16.666 -2.220 5.563 70 H LYS 11 H LYS 11 -15.463 -0.209 8.161 71 HA LYS 11 HA LYS 11 -18.027 0.164 9.602 72 1HB LYS 11 1HB LYS 11 -15.339 1.530 9.918 73 2HB LYS 11 2HB LYS 11 -16.711 1.725 10.992 74 1HG LYS 11 1HG LYS 11 -16.676 -0.734 11.474 75 2HG LYS 11 2HG LYS 11 -15.179 -0.870 10.549 76 1HD LYS 11 1HD LYS 11 -15.567 0.863 13.019 77 2HD LYS 11 2HD LYS 11 -14.780 -0.711 12.983 78 1HE LYS 11 1HE LYS 11 -13.074 0.178 11.397 79 2HE LYS 11 2HE LYS 11 -13.829 1.774 11.498 80 1HZ LYS 11 3HZ LYS 11 -13.333 1.751 13.907 81 2HZ LYS 11 2HZ LYS 11 -12.590 0.321 13.773 82 3HZ LYS 11 1HZ LYS 11 -11.971 1.601 13.013 83 H HIS 12 H HIS 12 -16.984 1.267 6.781 84 HA HIS 12 HA HIS 12 -17.729 2.765 5.251 85 1HB HIS 12 1HB HIS 12 -19.826 3.861 7.088 86 2HB HIS 12 2HB HIS 12 -19.813 3.714 5.331 87 HD1 HIS 12 HD1 HIS 12 -20.062 0.957 4.476 88 HD2 HIS 12 HD2 HIS 12 -20.782 1.989 8.503 89 HE1 HIS 12 HE1 HIS 12 -21.298 -1.019 5.518 90 HE2 HIS 12 HE2 HIS 12 -21.750 -0.421 7.964 91 H SER 13 H SER 13 -16.082 3.722 7.825 92 HA SER 13 HA SER 13 -15.669 6.552 7.328 93 1HB SER 13 1HB SER 13 -13.402 6.006 8.356 94 2HB SER 13 2HB SER 13 -14.796 5.550 9.351 95 HG SER 13 HG SER 13 -13.296 3.832 9.224 96 H CYS 14 H CYS 14 -14.956 3.717 5.502 97 HA CYS 14 HA CYS 14 -14.047 3.283 3.505 98 1HB CYS 14 1HB CYS 14 -14.242 6.236 3.079 99 2HB CYS 14 2HB CYS 14 -13.790 5.068 1.847 100 H THR 15 H THR 15 -12.166 2.395 4.512 101 HA THR 15 HA THR 15 -9.685 4.066 4.584 102 HB THR 15 HB THR 15 -9.242 2.665 6.643 103 HG1 THR 15 HG1 THR 15 -11.189 1.981 7.708 104 1HG2 THR 15 1HG2 THR 15 -9.901 5.064 6.775 105 2HG2 THR 15 3HG2 THR 15 -11.599 4.612 6.824 106 3HG2 THR 15 2HG2 THR 15 -10.527 4.152 8.157 107 H VAL 16 H VAL 16 -7.801 2.679 5.075 108 HA VAL 16 HA VAL 16 -6.581 1.445 3.235 109 HB VAL 16 HB VAL 16 -6.715 0.614 6.148 110 1HG1 VAL 16 1HG1 VAL 16 -4.883 -0.720 4.154 111 2HG1 VAL 16 2HG1 VAL 16 -4.529 -0.627 5.882 112 3HG1 VAL 16 3HG1 VAL 16 -5.960 -1.479 5.349 113 1HG2 VAL 16 3HG2 VAL 16 -5.642 2.790 5.423 114 2HG2 VAL 16 1HG2 VAL 16 -4.541 1.678 6.292 115 3HG2 VAL 16 2HG2 VAL 16 -4.429 1.838 4.552 116 H ASP 17 H ASP 17 -7.322 0.368 1.656 117 HA ASP 17 HA ASP 17 -6.702 -2.472 2.314 118 1HB ASP 17 1HB ASP 17 -8.337 -2.273 0.422 119 2HB ASP 17 2HB ASP 17 -7.157 -1.277 -0.429 120 H TRP 18 H TRP 18 -5.590 0.686 1.194 121 HA TRP 18 HA TRP 18 -3.226 0.141 -0.077 122 1HB TRP 18 1HB TRP 18 -2.757 2.489 0.142 123 2HB TRP 18 2HB TRP 18 -4.463 2.274 -0.154 124 HD1 TRP 18 HD1 TRP 18 -6.113 3.374 1.492 125 HE1 TRP 18 HE1 TRP 18 -5.888 4.928 3.517 126 HE3 TRP 18 HE3 TRP 18 -1.118 2.741 2.502 127 HZ2 TRP 18 HZ2 TRP 18 -3.851 5.838 5.293 128 HZ3 TRP 18 HZ3 TRP 18 -0.073 3.997 4.398 129 HH2 TRP 18 HH2 TRP 18 -1.383 5.515 5.768 130 H GLY 19 H GLY 19 -3.578 0.017 3.328 131 1HA GLY 19 2HA GLY 19 -2.071 -0.486 5.039 132 2HA GLY 19 1HA GLY 19 -1.212 0.917 4.415 133 H THR 20 H THR 20 -1.672 -2.307 2.967 134 HA THR 20 HA THR 20 0.942 -3.373 3.506 135 HB THR 20 HB THR 20 -0.976 -4.119 1.253 136 HG1 THR 20 HG1 THR 20 -1.592 -5.709 2.782 137 1HG2 THR 20 2HG2 THR 20 1.271 -5.682 2.598 138 2HG2 THR 20 1HG2 THR 20 0.097 -6.361 1.447 139 3HG2 THR 20 3HG2 THR 20 1.228 -5.127 0.899 140 H ALA 21 H ALA 21 -0.327 -1.652 0.687 141 HA ALA 21 HA ALA 21 1.943 -1.890 -1.029 142 1HB ALA 21 3HB ALA 21 -0.285 -1.205 -1.827 143 2HB ALA 21 1HB ALA 21 -0.161 0.340 -0.982 144 3HB ALA 21 2HB ALA 21 0.982 -0.053 -2.277 145 H ILE 22 H ILE 22 1.006 0.979 0.969 146 HA ILE 22 HA ILE 22 3.500 2.290 0.694 147 HB ILE 22 HB ILE 22 1.376 2.535 2.853 148 1HG1 ILE 22 1HG1 ILE 22 0.334 2.821 0.658 149 2HG1 ILE 22 2HG1 ILE 22 0.368 4.303 1.521 150 1HG2 ILE 22 3HG2 ILE 22 3.596 4.401 1.970 151 2HG2 ILE 22 1HG2 ILE 22 2.213 4.928 2.974 152 3HG2 ILE 22 2HG2 ILE 22 3.334 3.723 3.596 153 1HD1 ILE 22 3HD1 ILE 22 2.293 3.589 -0.743 154 2HD1 ILE 22 1HD1 ILE 22 0.893 4.674 -0.833 155 3HD1 ILE 22 2HD1 ILE 22 2.278 5.123 0.169 156 H GLY 23 H GLY 23 2.444 -0.171 3.032 157 1HA GLY 23 2HA GLY 23 3.652 -1.366 4.588 158 2HA GLY 23 1HA GLY 23 4.632 0.085 4.864 159 H CYS 24 H CYS 24 4.212 -2.042 2.047 160 HA CYS 24 HA CYS 24 6.741 -3.296 1.991 161 1HB CYS 24 1HB CYS 24 4.782 -2.614 -0.242 162 2HB CYS 24 2HB CYS 24 6.269 -3.526 -0.475 163 H ILE 25 H ILE 25 5.856 -0.543 -0.232 164 HA ILE 25 HA ILE 25 8.148 0.638 -0.915 165 HB ILE 25 HB ILE 25 5.587 1.841 0.139 166 1HG1 ILE 25 1HG1 ILE 25 6.813 1.833 -2.645 167 2HG1 ILE 25 2HG1 ILE 25 5.785 0.528 -2.060 168 1HG2 ILE 25 3HG2 ILE 25 7.961 3.415 -0.915 169 2HG2 ILE 25 1HG2 ILE 25 6.323 4.055 -0.861 170 3HG2 ILE 25 2HG2 ILE 25 7.119 3.610 0.644 171 1HD1 ILE 25 3HD1 ILE 25 3.957 2.121 -1.697 172 2HD1 ILE 25 1HD1 ILE 25 4.959 3.406 -2.425 173 3HD1 ILE 25 2HD1 ILE 25 4.473 1.998 -3.401 174 H GLY 26 H GLY 26 6.764 1.578 2.275 175 1HA GLY 26 2HA GLY 26 7.843 2.390 4.209 176 2HA GLY 26 1HA GLY 26 8.855 3.233 3.041 177 H ASN 27 H ASN 27 8.566 -0.154 4.044 178 HA ASN 27 HA ASN 27 10.944 -0.305 5.581 179 1HB ASN 27 1HB ASN 27 9.122 -1.856 5.842 180 2HB ASN 27 2HB ASN 27 9.310 -2.482 4.198 181 1HD2 ASN 27 1HD2 ASN 27 10.199 -4.526 4.331 182 2HD2 ASN 27 2HD2 ASN 27 11.481 -4.950 5.465 183 H ASN 28 H ASN 28 10.504 -1.811 2.323 184 HA ASN 28 HA ASN 28 13.407 -2.167 2.208 185 1HB ASN 28 1HB ASN 28 11.435 -3.743 1.279 186 2HB ASN 28 2HB ASN 28 11.882 -2.851 -0.211 187 1HD2 ASN 28 1HD2 ASN 28 14.379 -2.732 -0.545 188 2HD2 ASN 28 2HD2 ASN 28 15.211 -4.252 -0.267 189 H ALA 29 H ALA 29 11.360 0.445 1.080 190 HA ALA 29 HA ALA 29 13.372 1.462 -0.733 191 1HB ALA 29 1HB ALA 29 11.501 3.114 0.991 192 2HB ALA 29 2HB ALA 29 12.567 3.676 -0.290 193 3HB ALA 29 3HB ALA 29 11.191 2.615 -0.695 194 H ALA 30 H ALA 30 12.927 1.865 2.894 195 HA ALA 30 HA ALA 30 15.237 3.556 2.935 196 1HB ALA 30 3HB ALA 30 13.552 3.547 4.736 197 2HB ALA 30 2HB ALA 30 15.188 3.290 5.377 198 3HB ALA 30 1HB ALA 30 14.100 1.903 5.221 199 H ALA 31 H ALA 31 14.957 0.056 3.034 200 HA ALA 31 HA ALA 31 17.775 -0.508 3.393 201 1HB ALA 31 1HB ALA 31 15.718 -2.093 1.830 202 2HB ALA 31 2HB ALA 31 17.307 -2.663 2.379 203 3HB ALA 31 3HB ALA 31 16.076 -2.249 3.579 204 H ASN 32 H ASN 32 15.871 -0.070 0.361 205 HA ASN 32 HA ASN 32 18.003 -0.345 -1.535 206 1HB ASN 32 1HB ASN 32 15.283 0.991 -1.679 207 2HB ASN 32 2HB ASN 32 16.379 0.814 -3.057 208 1HD2 ASN 32 1HD2 ASN 32 13.676 -0.300 -2.816 209 2HD2 ASN 32 2HD2 ASN 32 13.996 -1.999 -3.150 210 H TRP 33 H TRP 33 16.615 2.559 -0.139 211 HA TRP 33 HA TRP 33 18.162 4.650 -1.351 212 1HB TRP 33 1HB TRP 33 17.415 3.327 -3.343 213 2HB TRP 33 2HB TRP 33 15.771 3.410 -2.750 214 HD1 TRP 33 HD1 TRP 33 15.488 4.297 -5.397 215 HE1 TRP 33 HE1 TRP 33 15.609 6.636 -6.413 216 HE3 TRP 33 HE3 TRP 33 17.503 6.771 -1.491 217 HZ2 TRP 33 HZ2 TRP 33 16.683 9.199 -5.739 218 HZ3 TRP 33 HZ3 TRP 33 18.142 9.195 -1.675 219 HH2 TRP 33 HH2 TRP 33 17.725 10.411 -3.821 220 H ALA 34 H ALA 34 15.132 5.172 -2.099 221 HA ALA 34 HA ALA 34 13.920 6.301 0.352 222 1HB ALA 34 1HB ALA 34 15.310 8.070 -0.603 223 2HB ALA 34 2HB ALA 34 14.612 7.819 -2.220 224 3HB ALA 34 3HB ALA 34 13.601 8.453 -0.905 225 H THR 35 H THR 35 13.686 5.581 -3.150 226 HA THR 35 HA THR 35 11.660 3.623 -2.686 227 HB THR 35 HB THR 35 10.302 4.632 -4.771 228 HG1 THR 35 HG1 THR 35 10.821 6.893 -3.218 229 1HG2 THR 35 3HG2 THR 35 9.280 3.775 -2.742 230 2HG2 THR 35 2HG2 THR 35 9.548 5.351 -1.945 231 3HG2 THR 35 1HG2 THR 35 8.473 5.220 -3.343 232 H GLY 36 H GLY 36 13.438 2.267 -3.380 233 1HA GLY 36 2HA GLY 36 12.293 1.776 -6.053 234 2HA GLY 36 1HA GLY 36 12.907 0.590 -4.936 235 H GLY 37 H GLY 37 15.571 1.972 -4.669 236 1HA GLY 37 2HA GLY 37 17.632 1.262 -5.475 237 2HA GLY 37 1HA GLY 37 17.037 1.615 -7.107 238 H ASN 38 H ASN 38 15.155 -0.675 -5.340 239 HA ASN 38 HA ASN 38 15.620 -2.632 -7.441 240 1HB ASN 38 1HB ASN 38 17.400 -3.227 -5.825 241 2HB ASN 38 2HB ASN 38 16.168 -3.437 -4.561 242 1HD2 ASN 38 1HD2 ASN 38 16.349 -5.578 -4.155 243 2HD2 ASN 38 2HD2 ASN 38 16.128 -6.833 -5.388 244 H ALA 39 H ALA 39 14.127 -4.475 -7.297 245 HA ALA 39 HA ALA 39 11.404 -3.836 -6.394 246 1HB ALA 39 2HB ALA 39 10.922 -5.978 -7.630 247 2HB ALA 39 1HB ALA 39 12.663 -6.226 -7.853 248 3HB ALA 39 3HB ALA 39 11.842 -4.838 -8.601 249 H GLY 40 H GLY 40 13.670 -4.406 -4.474 250 1HA GLY 40 2HA GLY 40 13.973 -5.254 -2.385 251 2HA GLY 40 1HA GLY 40 13.565 -6.814 -3.076 252 H TRP 41 H TRP 41 11.307 -4.080 -2.801 253 HA TRP 41 HA TRP 41 9.551 -5.843 -1.132 254 1HB TRP 41 1HB TRP 41 8.305 -4.115 -0.474 255 2HB TRP 41 2HB TRP 41 9.838 -3.317 -0.469 256 HD1 TRP 41 HD1 TRP 41 6.727 -3.802 -2.687 257 HE1 TRP 41 HE1 TRP 41 6.270 -1.623 -4.015 258 HE3 TRP 41 HE3 TRP 41 10.882 -1.391 -1.431 259 HZ2 TRP 41 HZ2 TRP 41 7.770 0.834 -4.630 260 HZ3 TRP 41 HZ3 TRP 41 11.478 0.802 -2.365 261 HH2 TRP 41 HH2 TRP 41 9.950 1.919 -4.071 262 H ASN 42 H ASN 42 9.639 -3.852 -3.918 263 HA ASN 42 HA ASN 42 7.244 -4.043 -4.941 264 1HB ASN 42 1HB ASN 42 9.438 -2.787 -5.892 265 2HB ASN 42 2HB ASN 42 9.206 -3.977 -7.200 266 1HD2 ASN 42 1HD2 ASN 42 7.877 -1.336 -5.416 267 2HD2 ASN 42 2HD2 ASN 42 6.438 -1.000 -6.348 268 H LYS 43 H LYS 43 8.787 -6.824 -4.821 269 HA LYS 43 HA LYS 43 6.970 -8.468 -6.329 270 1HB LYS 43 1HB LYS 43 6.674 -9.821 -4.298 271 2HB LYS 43 2HB LYS 43 8.305 -9.772 -4.956 272 1HG LYS 43 1HG LYS 43 7.340 -8.211 -2.523 273 2HG LYS 43 2HG LYS 43 7.853 -9.872 -2.436 274 1HD LYS 43 1HD LYS 43 9.720 -7.729 -3.518 275 2HD LYS 43 2HD LYS 43 9.626 -8.129 -1.825 276 1HE LYS 43 1HE LYS 43 10.187 -10.490 -2.286 277 2HE LYS 43 2HE LYS 43 10.204 -10.175 -4.013 278 1HZ LYS 43 1HZ LYS 43 12.013 -8.786 -2.146 279 2HZ LYS 43 3HZ LYS 43 12.421 -10.143 -2.955 280 3HZ LYS 43 2HZ LYS 43 12.081 -8.777 -3.786 281 H CYS 44 H CYS 44 6.157 -6.478 -3.480 282 HA CYS 44 HA CYS 44 3.592 -7.435 -3.032 283 1HB CYS 44 1HB CYS 44 4.513 -4.588 -2.599 284 2HB CYS 44 2HB CYS 44 3.126 -5.362 -1.858 No H/Q in entry = 284 Start of MODEL 4 1 H1 LYS 1 3H LYS 1 17.966 -3.304 -3.024 2 H2 LYS 1 2H LYS 1 17.511 -2.051 -2.066 3 H3 LYS 1 1H LYS 1 19.022 -2.094 -2.710 4 HA LYS 1 HA LYS 1 19.594 -4.021 -1.462 5 1HB LYS 1 1HB LYS 1 18.848 -1.483 -0.139 6 2HB LYS 1 2HB LYS 1 19.025 -2.802 0.975 7 1HG LYS 1 1HG LYS 1 21.144 -2.063 -1.082 8 2HG LYS 1 2HG LYS 1 21.092 -1.486 0.612 9 1HD LYS 1 1HD LYS 1 21.190 -3.846 1.393 10 2HD LYS 1 2HD LYS 1 21.387 -4.388 -0.285 11 1HE LYS 1 1HE LYS 1 23.441 -2.997 -0.474 12 2HE LYS 1 2HE LYS 1 23.253 -2.497 1.195 13 1HZ LYS 1 1HZ LYS 1 23.470 -4.834 1.854 14 2HZ LYS 1 3HZ LYS 1 23.678 -5.292 0.289 15 3HZ LYS 1 2HZ LYS 1 24.795 -4.385 1.037 16 H TYR 2 H TYR 2 18.082 -4.255 1.291 17 HA TYR 2 HA TYR 2 17.500 -6.911 0.550 18 1HB TYR 2 1HB TYR 2 16.723 -5.502 3.119 19 2HB TYR 2 2HB TYR 2 16.926 -7.243 2.889 20 HD1 TYR 2 HD1 TYR 2 18.507 -4.517 4.320 21 HD2 TYR 2 HD2 TYR 2 19.341 -7.807 1.639 22 HE1 TYR 2 HE1 TYR 2 20.932 -4.310 4.795 23 HE2 TYR 2 HE2 TYR 2 21.773 -7.530 2.070 24 HH TYR 2 HH TYR 2 23.016 -5.097 4.365 25 H TYR 3 H TYR 3 15.340 -4.247 0.756 26 HA TYR 3 HA TYR 3 12.793 -5.517 0.879 27 1HB TYR 3 1HB TYR 3 12.016 -3.275 -0.138 28 2HB TYR 3 2HB TYR 3 12.715 -3.350 1.471 29 HD1 TYR 3 HD1 TYR 3 14.818 -2.568 1.965 30 HD2 TYR 3 HD2 TYR 3 13.392 -2.350 -2.037 31 HE1 TYR 3 HE1 TYR 3 16.669 -0.891 1.412 32 HE2 TYR 3 HE2 TYR 3 15.172 -0.729 -2.643 33 HH TYR 3 HH TYR 3 17.473 0.522 -0.215 34 H GLY 4 H GLY 4 15.055 -5.224 -1.806 35 1HA GLY 4 2HA GLY 4 12.947 -5.784 -3.863 36 2HA GLY 4 1HA GLY 4 14.638 -6.277 -3.971 37 H ASN 5 H ASN 5 12.959 -4.646 -5.788 38 HA ASN 5 HA ASN 5 14.902 -2.543 -6.295 39 1HB ASN 5 1HB ASN 5 14.031 -4.054 -8.039 40 2HB ASN 5 2HB ASN 5 12.409 -3.377 -7.818 41 1HD2 ASN 5 1HD2 ASN 5 11.908 -1.783 -9.357 42 2HD2 ASN 5 2HD2 ASN 5 13.129 -0.785 -10.117 43 H GLY 6 H GLY 6 11.836 -2.661 -4.804 44 1HA GLY 6 2HA GLY 6 10.192 -1.164 -4.282 45 2HA GLY 6 1HA GLY 6 10.909 0.020 -5.399 46 H VAL 7 H VAL 7 9.686 0.737 -3.082 47 HA VAL 7 HA VAL 7 9.827 2.179 -1.489 48 HB VAL 7 HB VAL 7 9.497 -0.061 -0.765 49 1HG1 VAL 7 3HG1 VAL 7 11.876 -0.694 -0.710 50 2HG1 VAL 7 1HG1 VAL 7 11.936 0.081 0.930 51 3HG1 VAL 7 2HG1 VAL 7 10.794 -1.247 0.592 52 1HG2 VAL 7 1HG2 VAL 7 10.313 2.142 1.126 53 2HG2 VAL 7 2HG2 VAL 7 8.758 1.885 0.283 54 3HG2 VAL 7 3HG2 VAL 7 9.276 0.736 1.550 55 H HIS 8 H HIS 8 12.504 1.015 -0.402 56 HA HIS 8 HA HIS 8 14.835 1.660 -0.026 57 1HB HIS 8 1HB HIS 8 14.064 4.533 -0.439 58 2HB HIS 8 2HB HIS 8 15.682 3.875 -0.278 59 HD1 HIS 8 HD1 HIS 8 14.362 1.446 -2.505 60 HD2 HIS 8 HD2 HIS 8 14.818 5.612 -2.805 61 HE1 HIS 8 HE1 HIS 8 13.898 1.997 -4.855 62 HE2 HIS 8 HE2 HIS 8 14.320 4.564 -5.145 63 H CYS 9 H CYS 9 14.761 0.890 1.987 64 HA CYS 9 HA CYS 9 13.145 1.528 4.101 65 1HB CYS 9 1HB CYS 9 16.110 0.767 4.110 66 2HB CYS 9 2HB CYS 9 15.132 0.822 5.566 67 H GLY 10 H GLY 10 12.942 3.406 5.518 68 1HA GLY 10 2HA GLY 10 12.918 5.762 5.204 69 2HA GLY 10 1HA GLY 10 14.559 5.741 4.580 70 H LYS 11 H LYS 11 14.753 3.889 7.178 71 HA LYS 11 HA LYS 11 15.154 3.923 9.412 72 1HB LYS 11 1HB LYS 11 17.010 5.483 8.712 73 2HB LYS 11 2HB LYS 11 15.964 6.830 9.157 74 1HG LYS 11 1HG LYS 11 15.944 6.092 11.520 75 2HG LYS 11 2HG LYS 11 16.750 4.605 11.094 76 1HD LYS 11 1HD LYS 11 18.382 6.036 12.074 77 2HD LYS 11 2HD LYS 11 18.764 5.808 10.376 78 1HE LYS 11 1HE LYS 11 19.193 8.096 10.870 79 2HE LYS 11 2HE LYS 11 17.766 8.060 9.868 80 1HZ LYS 11 2HZ LYS 11 17.779 8.359 12.817 81 2HZ LYS 11 1HZ LYS 11 17.533 9.568 11.759 82 3HZ LYS 11 3HZ LYS 11 16.429 8.374 11.908 83 H HIS 12 H HIS 12 13.180 6.499 8.366 84 HA HIS 12 HA HIS 12 11.104 6.782 10.232 85 1HB HIS 12 1HB HIS 12 11.285 6.381 7.229 86 2HB HIS 12 2HB HIS 12 9.722 6.233 7.964 87 HD1 HIS 12 HD1 HIS 12 8.519 8.570 8.520 88 HD2 HIS 12 HD2 HIS 12 12.587 8.778 7.416 89 HE1 HIS 12 HE1 HIS 12 9.045 11.055 8.207 90 HE2 HIS 12 HE2 HIS 12 11.526 11.209 7.611 91 H SER 13 H SER 13 11.650 4.070 8.126 92 HA SER 13 HA SER 13 10.608 1.827 9.494 93 1HB SER 13 1HB SER 13 8.416 1.639 8.312 94 2HB SER 13 2HB SER 13 8.430 2.966 9.439 95 HG SER 13 HG SER 13 7.574 3.654 7.498 96 H CYS 14 H CYS 14 9.584 0.478 7.227 97 HA CYS 14 HA CYS 14 10.986 1.118 4.886 98 1HB CYS 14 1HB CYS 14 12.795 -0.141 6.174 99 2HB CYS 14 2HB CYS 14 11.775 -1.563 6.183 100 H THR 15 H THR 15 10.283 -0.302 3.172 101 HA THR 15 HA THR 15 7.982 -2.092 3.827 102 HB THR 15 HB THR 15 7.214 -0.158 1.683 103 HG1 THR 15 HG1 THR 15 6.494 1.344 3.162 104 1HG2 THR 15 2HG2 THR 15 5.737 -2.041 2.489 105 2HG2 THR 15 1HG2 THR 15 5.626 -1.206 4.056 106 3HG2 THR 15 3HG2 THR 15 5.002 -0.419 2.622 107 H VAL 16 H VAL 16 7.182 -1.710 0.789 108 HA VAL 16 HA VAL 16 9.433 -3.009 -0.619 109 HB VAL 16 HB VAL 16 8.362 -4.899 0.285 110 1HG1 VAL 16 2HG1 VAL 16 5.654 -3.818 -0.594 111 2HG1 VAL 16 3HG1 VAL 16 5.918 -5.415 0.145 112 3HG1 VAL 16 1HG1 VAL 16 6.234 -3.979 1.103 113 1HG2 VAL 16 3HG2 VAL 16 8.697 -5.017 -2.209 114 2HG2 VAL 16 1HG2 VAL 16 7.468 -6.149 -1.537 115 3HG2 VAL 16 2HG2 VAL 16 6.967 -4.642 -2.352 116 H ASP 17 H ASP 17 7.566 -0.559 -0.675 117 HA ASP 17 HA ASP 17 7.095 1.075 -2.138 118 1HB ASP 17 1HB ASP 17 8.410 -0.296 -3.960 119 2HB ASP 17 2HB ASP 17 6.820 -0.813 -4.498 120 H TRP 18 H TRP 18 5.347 -1.834 -1.797 121 HA TRP 18 HA TRP 18 2.697 -0.580 -2.270 122 1HB TRP 18 1HB TRP 18 2.107 -2.328 -3.880 123 2HB TRP 18 2HB TRP 18 3.485 -1.386 -4.431 124 HD1 TRP 18 HD1 TRP 18 5.956 -2.634 -3.833 125 HE1 TRP 18 HE1 TRP 18 6.583 -4.984 -4.632 126 HE3 TRP 18 HE3 TRP 18 1.352 -4.730 -3.627 127 HZ2 TRP 18 HZ2 TRP 18 5.218 -7.508 -5.114 128 HZ3 TRP 18 HZ3 TRP 18 1.039 -7.175 -4.143 129 HH2 TRP 18 HH2 TRP 18 2.958 -8.534 -4.920 130 H GLY 19 H GLY 19 4.277 -2.316 0.003 131 1HA GLY 19 2HA GLY 19 3.581 -3.814 1.681 132 2HA GLY 19 1HA GLY 19 2.334 -4.416 0.565 133 H THR 20 H THR 20 2.871 -1.065 1.632 134 HA THR 20 HA THR 20 0.495 -0.776 3.257 135 HB THR 20 HB THR 20 0.904 1.715 2.668 136 HG1 THR 20 HG1 THR 20 2.946 2.102 1.840 137 1HG2 THR 20 2HG2 THR 20 3.080 0.058 4.010 138 2HG2 THR 20 1HG2 THR 20 2.901 1.823 4.161 139 3HG2 THR 20 3HG2 THR 20 1.646 0.717 4.796 140 H ALA 21 H ALA 21 1.157 -0.441 -0.229 141 HA ALA 21 HA ALA 21 -1.343 0.733 -1.016 142 1HB ALA 21 2HB ALA 21 0.407 -1.195 -2.643 143 2HB ALA 21 1HB ALA 21 0.736 0.536 -2.451 144 3HB ALA 21 3HB ALA 21 -0.750 -0.018 -3.264 145 H ILE 22 H ILE 22 -0.414 -2.789 -0.920 146 HA ILE 22 HA ILE 22 -3.037 -3.799 -1.308 147 HB ILE 22 HB ILE 22 -0.611 -4.921 0.136 148 1HG1 ILE 22 1HG1 ILE 22 -0.368 -4.375 -2.307 149 2HG1 ILE 22 2HG1 ILE 22 -0.036 -6.025 -1.843 150 1HG2 ILE 22 1HG2 ILE 22 -3.192 -6.331 -0.609 151 2HG2 ILE 22 2HG2 ILE 22 -1.671 -7.188 -0.257 152 3HG2 ILE 22 3HG2 ILE 22 -2.418 -6.198 0.994 153 1HD1 ILE 22 2HD1 ILE 22 -2.652 -5.090 -3.135 154 2HD1 ILE 22 3HD1 ILE 22 -1.302 -5.811 -3.996 155 3HD1 ILE 22 1HD1 ILE 22 -2.174 -6.764 -2.786 156 H GLY 23 H GLY 23 -1.341 -2.933 1.743 157 1HA GLY 23 2HA GLY 23 -2.170 -2.298 3.783 158 2HA GLY 23 1HA GLY 23 -3.274 -3.683 3.600 159 H CYS 24 H CYS 24 -2.993 -0.528 1.954 160 HA CYS 24 HA CYS 24 -5.357 0.751 2.780 161 1HB CYS 24 1HB CYS 24 -3.605 2.004 1.710 162 2HB CYS 24 2HB CYS 24 -3.583 0.922 0.346 163 H ILE 25 H ILE 25 -4.945 -0.662 -0.464 164 HA ILE 25 HA ILE 25 -7.637 -0.793 -1.235 165 HB ILE 25 HB ILE 25 -5.189 -2.295 -2.097 166 1HG1 ILE 25 1HG1 ILE 25 -5.930 -1.324 -4.336 167 2HG1 ILE 25 2HG1 ILE 25 -7.258 -0.557 -3.535 168 1HG2 ILE 25 3HG2 ILE 25 -7.987 -2.988 -3.073 169 2HG2 ILE 25 1HG2 ILE 25 -6.461 -3.478 -3.859 170 3HG2 ILE 25 2HG2 ILE 25 -6.830 -4.081 -2.267 171 1HD1 ILE 25 3HD1 ILE 25 -4.320 0.010 -2.921 172 2HD1 ILE 25 1HD1 ILE 25 -5.378 0.966 -3.969 173 3HD1 ILE 25 2HD1 ILE 25 -5.714 0.884 -2.232 174 H GLY 26 H GLY 26 -5.980 -3.381 0.740 175 1HA GLY 26 2HA GLY 26 -6.931 -5.152 1.882 176 2HA GLY 26 1HA GLY 26 -8.251 -5.169 0.711 177 H ASN 27 H ASN 27 -7.240 -2.861 3.302 178 HA ASN 27 HA ASN 27 -9.566 -3.365 4.958 179 1HB ASN 27 1HB ASN 27 -7.427 -2.437 5.816 180 2HB ASN 27 2HB ASN 27 -7.646 -1.004 4.822 181 1HD2 ASN 27 1HD2 ASN 27 -8.875 -2.795 7.657 182 2HD2 ASN 27 2HD2 ASN 27 -9.790 -1.415 8.272 183 H ASN 28 H ASN 28 -8.813 -0.829 2.600 184 HA ASN 28 HA ASN 28 -11.339 0.525 2.787 185 1HB ASN 28 1HB ASN 28 -9.187 0.471 0.599 186 2HB ASN 28 2HB ASN 28 -10.616 1.471 0.564 187 1HD2 ASN 28 1HD2 ASN 28 -10.948 2.753 2.922 188 2HD2 ASN 28 2HD2 ASN 28 -9.444 3.618 3.246 189 H ALA 29 H ALA 29 -10.329 -2.204 0.645 190 HA ALA 29 HA ALA 29 -12.675 -2.417 -0.944 191 1HB ALA 29 1HB ALA 29 -10.926 -3.970 -1.398 192 2HB ALA 29 3HB ALA 29 -12.316 -4.895 -0.754 193 3HB ALA 29 2HB ALA 29 -10.916 -4.589 0.278 194 H ALA 30 H ALA 30 -12.128 -4.050 2.293 195 HA ALA 30 HA ALA 30 -14.896 -4.776 2.324 196 1HB ALA 30 3HB ALA 30 -12.949 -4.502 4.696 197 2HB ALA 30 1HB ALA 30 -14.483 -5.401 4.694 198 3HB ALA 30 2HB ALA 30 -13.147 -5.948 3.677 199 H ALA 31 H ALA 31 -13.477 -1.713 3.269 200 HA ALA 31 HA ALA 31 -15.836 -0.735 4.577 201 1HB ALA 31 3HB ALA 31 -13.603 0.288 4.881 202 2HB ALA 31 1HB ALA 31 -13.652 0.847 3.181 203 3HB ALA 31 2HB ALA 31 -14.816 1.451 4.347 204 H ASN 32 H ASN 32 -15.079 -1.132 1.213 205 HA ASN 32 HA ASN 32 -17.564 0.336 0.409 206 1HB ASN 32 1HB ASN 32 -16.707 0.745 -1.659 207 2HB ASN 32 2HB ASN 32 -15.514 1.221 -0.449 208 1HD2 ASN 32 1HD2 ASN 32 -13.455 0.647 -1.025 209 2HD2 ASN 32 2HD2 ASN 32 -13.058 -0.581 -2.223 210 H TRP 33 H TRP 33 -16.275 -2.828 0.420 211 HA TRP 33 HA TRP 33 -18.212 -4.634 -0.302 212 1HB TRP 33 1HB TRP 33 -18.907 -3.423 -2.217 213 2HB TRP 33 2HB TRP 33 -17.237 -3.014 -2.610 214 HD1 TRP 33 HD1 TRP 33 -17.196 -3.638 -4.953 215 HE1 TRP 33 HE1 TRP 33 -17.582 -5.808 -6.377 216 HE3 TRP 33 HE3 TRP 33 -17.912 -6.817 -1.203 217 HZ2 TRP 33 HZ2 TRP 33 -18.234 -8.610 -5.819 218 HZ3 TRP 33 HZ3 TRP 33 -18.299 -9.277 -1.569 219 HH2 TRP 33 HH2 TRP 33 -18.496 -10.155 -3.879 220 H ALA 34 H ALA 34 -15.771 -4.501 -2.661 221 HA ALA 34 HA ALA 34 -13.703 -6.141 -1.391 222 1HB ALA 34 1HB ALA 34 -15.333 -7.196 -3.717 223 2HB ALA 34 2HB ALA 34 -13.915 -7.947 -2.952 224 3HB ALA 34 3HB ALA 34 -15.405 -7.774 -2.026 225 H THR 35 H THR 35 -13.621 -3.566 -2.243 226 HA THR 35 HA THR 35 -12.897 -1.896 -3.499 227 HB THR 35 HB THR 35 -10.772 -2.557 -3.340 228 HG1 THR 35 HG1 THR 35 -9.957 -1.819 -5.350 229 1HG2 THR 35 3HG2 THR 35 -11.010 -4.447 -5.724 230 2HG2 THR 35 2HG2 THR 35 -9.506 -3.943 -4.933 231 3HG2 THR 35 1HG2 THR 35 -10.683 -4.908 -4.041 232 H GLY 36 H GLY 36 -15.050 -1.664 -4.170 233 1HA GLY 36 2HA GLY 36 -15.978 -2.586 -6.728 234 2HA GLY 36 1HA GLY 36 -15.107 -1.094 -6.938 235 H GLY 37 H GLY 37 -16.942 -1.441 -3.912 236 1HA GLY 37 2HA GLY 37 -18.597 -0.037 -3.076 237 2HA GLY 37 1HA GLY 37 -19.432 -0.350 -4.591 238 H ASN 38 H ASN 38 -16.559 1.536 -3.579 239 HA ASN 38 HA ASN 38 -16.909 3.648 -5.486 240 1HB ASN 38 1HB ASN 38 -17.375 5.480 -3.946 241 2HB ASN 38 2HB ASN 38 -18.676 4.297 -3.856 242 1HD2 ASN 38 1HD2 ASN 38 -16.285 6.004 -2.011 243 2HD2 ASN 38 2HD2 ASN 38 -16.605 5.172 -0.492 244 H ALA 39 H ALA 39 -15.047 4.903 -5.664 245 HA ALA 39 HA ALA 39 -12.596 3.934 -4.357 246 1HB ALA 39 3HB ALA 39 -12.742 4.407 -6.802 247 2HB ALA 39 2HB ALA 39 -11.480 5.348 -6.003 248 3HB ALA 39 1HB ALA 39 -13.007 6.117 -6.462 249 H GLY 40 H GLY 40 -14.744 6.556 -3.828 250 1HA GLY 40 2HA GLY 40 -14.898 8.172 -2.215 251 2HA GLY 40 1HA GLY 40 -13.177 8.462 -2.487 252 H TRP 41 H TRP 41 -13.128 5.396 -1.549 253 HA TRP 41 HA TRP 41 -13.397 5.170 1.230 254 1HB TRP 41 1HB TRP 41 -11.930 3.371 1.022 255 2HB TRP 41 2HB TRP 41 -12.915 3.382 -0.399 256 HD1 TRP 41 HD1 TRP 41 -9.330 4.555 0.581 257 HE1 TRP 41 HE1 TRP 41 -7.657 3.411 -0.937 258 HE3 TRP 41 HE3 TRP 41 -12.544 2.247 -2.679 259 HZ2 TRP 41 HZ2 TRP 41 -7.620 1.844 -3.226 260 HZ3 TRP 41 HZ3 TRP 41 -11.597 0.649 -4.365 261 HH2 TRP 41 HH2 TRP 41 -9.170 0.512 -4.719 262 H ASN 42 H ASN 42 -10.935 6.442 -0.620 263 HA ASN 42 HA ASN 42 -9.754 8.556 0.333 264 1HB ASN 42 1HB ASN 42 -7.964 8.168 1.883 265 2HB ASN 42 2HB ASN 42 -9.461 7.714 2.613 266 1HD2 ASN 42 1HD2 ASN 42 -6.755 6.224 0.732 267 2HD2 ASN 42 2HD2 ASN 42 -6.772 4.704 1.642 268 H LYS 43 H LYS 43 -9.775 6.293 -1.811 269 HA LYS 43 HA LYS 43 -8.035 5.055 -2.981 270 1HB LYS 43 1HB LYS 43 -8.104 6.302 -5.090 271 2HB LYS 43 2HB LYS 43 -9.651 5.903 -4.352 272 1HG LYS 43 1HG LYS 43 -9.802 8.251 -3.431 273 2HG LYS 43 2HG LYS 43 -8.296 8.640 -4.257 274 1HD LYS 43 1HD LYS 43 -10.857 7.575 -5.592 275 2HD LYS 43 2HD LYS 43 -10.482 9.286 -5.451 276 1HE LYS 43 1HE LYS 43 -8.341 8.918 -6.738 277 2HE LYS 43 2HE LYS 43 -8.762 7.215 -6.916 278 1HZ LYS 43 3HZ LYS 43 -10.732 7.897 -8.186 279 2HZ LYS 43 2HZ LYS 43 -10.334 9.474 -7.991 280 3HZ LYS 43 1HZ LYS 43 -9.389 8.465 -8.876 281 H CYS 44 H CYS 44 -6.205 4.889 -1.867 282 HA CYS 44 HA CYS 44 -4.595 7.047 -1.288 283 1HB CYS 44 1HB CYS 44 -2.933 5.239 -0.458 284 2HB CYS 44 2HB CYS 44 -4.573 5.171 0.176 No H/Q in entry = 284 Start of MODEL 5 1 H1 LYS 1 1H LYS 1 18.257 -0.999 1.527 2 H2 LYS 1 3H LYS 1 16.749 -0.744 0.951 3 H3 LYS 1 2H LYS 1 17.811 0.485 0.983 4 HA LYS 1 HA LYS 1 17.945 0.371 3.392 5 1HB LYS 1 1HB LYS 1 16.360 1.956 2.129 6 2HB LYS 1 2HB LYS 1 15.064 0.861 2.573 7 1HG LYS 1 1HG LYS 1 15.663 1.179 4.998 8 2HG LYS 1 2HG LYS 1 16.973 2.233 4.527 9 1HD LYS 1 1HD LYS 1 15.414 3.837 3.523 10 2HD LYS 1 2HD LYS 1 14.040 2.751 3.879 11 1HE LYS 1 1HE LYS 1 14.619 2.910 6.318 12 2HE LYS 1 2HE LYS 1 15.900 4.027 5.932 13 1HZ LYS 1 2HZ LYS 1 14.156 5.530 4.993 14 2HZ LYS 1 1HZ LYS 1 12.990 4.503 5.423 15 3HZ LYS 1 3HZ LYS 1 13.880 5.234 6.569 16 H TYR 2 H TYR 2 14.764 -1.197 2.757 17 HA TYR 2 HA TYR 2 15.494 -3.355 4.705 18 1HB TYR 2 1HB TYR 2 13.399 -3.124 5.807 19 2HB TYR 2 2HB TYR 2 14.289 -1.619 5.853 20 HD1 TYR 2 HD1 TYR 2 13.419 0.398 4.896 21 HD2 TYR 2 HD2 TYR 2 11.307 -3.340 4.374 22 HE1 TYR 2 HE1 TYR 2 11.444 1.636 4.033 23 HE2 TYR 2 HE2 TYR 2 9.325 -2.088 3.553 24 HH TYR 2 HH TYR 2 9.301 1.489 3.316 25 H TYR 3 H TYR 3 15.274 -3.381 1.690 26 HA TYR 3 HA TYR 3 13.246 -4.439 0.451 27 1HB TYR 3 1HB TYR 3 15.443 -4.138 -0.541 28 2HB TYR 3 2HB TYR 3 16.020 -5.593 0.234 29 HD1 TYR 3 HD1 TYR 3 13.342 -4.365 -2.090 30 HD2 TYR 3 HD2 TYR 3 15.860 -7.660 -0.962 31 HE1 TYR 3 HE1 TYR 3 12.547 -5.627 -4.064 32 HE2 TYR 3 HE2 TYR 3 15.054 -8.942 -2.930 33 HH TYR 3 HH TYR 3 12.709 -7.563 -5.268 34 H GLY 4 H GLY 4 11.721 -5.795 0.854 35 1HA GLY 4 2HA GLY 4 10.605 -7.708 1.652 36 2HA GLY 4 1HA GLY 4 12.108 -8.586 1.839 37 H ASN 5 H ASN 5 10.032 -7.236 -0.352 38 HA ASN 5 HA ASN 5 11.069 -8.661 -2.798 39 1HB ASN 5 1HB ASN 5 9.266 -10.081 -1.649 40 2HB ASN 5 2HB ASN 5 8.136 -8.755 -1.984 41 1HD2 ASN 5 1HD2 ASN 5 6.888 -9.224 -3.769 42 2HD2 ASN 5 2HD2 ASN 5 7.482 -10.110 -5.176 43 H GLY 6 H GLY 6 9.986 -5.771 -1.562 44 1HA GLY 6 2HA GLY 6 8.100 -4.524 -2.636 45 2HA GLY 6 1HA GLY 6 8.890 -4.764 -4.169 46 H VAL 7 H VAL 7 10.752 -3.827 -1.292 47 HA VAL 7 HA VAL 7 10.651 -1.008 -1.753 48 HB VAL 7 HB VAL 7 11.818 -2.772 0.162 49 1HG1 VAL 7 1HG1 VAL 7 14.009 -2.337 -1.006 50 2HG1 VAL 7 2HG1 VAL 7 13.771 -0.593 -0.706 51 3HG1 VAL 7 3HG1 VAL 7 13.955 -1.696 0.665 52 1HG2 VAL 7 3HG2 VAL 7 11.660 0.278 0.092 53 2HG2 VAL 7 1HG2 VAL 7 10.393 -0.831 0.695 54 3HG2 VAL 7 2HG2 VAL 7 11.947 -0.721 1.516 55 H HIS 8 H HIS 8 12.185 0.430 -2.446 56 HA HIS 8 HA HIS 8 14.768 -0.306 -3.484 57 1HB HIS 8 1HB HIS 8 14.349 1.108 -5.655 58 2HB HIS 8 2HB HIS 8 14.038 -0.607 -5.596 59 HD1 HIS 8 HD1 HIS 8 11.779 2.456 -4.769 60 HD2 HIS 8 HD2 HIS 8 11.771 -1.409 -6.443 61 HE1 HIS 8 HE1 HIS 8 9.333 1.819 -5.149 62 HE2 HIS 8 HE2 HIS 8 9.340 -0.500 -6.314 63 H CYS 9 H CYS 9 15.356 0.918 -1.677 64 HA CYS 9 HA CYS 9 15.121 3.861 -1.917 65 1HB CYS 9 1HB CYS 9 13.316 2.908 -0.482 66 2HB CYS 9 2HB CYS 9 14.537 2.339 0.635 67 H GLY 10 H GLY 10 16.700 4.983 -0.577 68 1HA GLY 10 2HA GLY 10 19.028 5.329 -0.430 69 2HA GLY 10 1HA GLY 10 19.330 3.596 -0.302 70 H LYS 11 H LYS 11 19.249 6.446 1.434 71 HA LYS 11 HA LYS 11 19.007 5.071 4.095 72 1HB LYS 11 1HB LYS 11 20.363 7.700 3.340 73 2HB LYS 11 2HB LYS 11 20.397 6.954 4.906 74 1HG LYS 11 1HG LYS 11 21.699 5.849 2.370 75 2HG LYS 11 2HG LYS 11 22.509 6.595 3.746 76 1HD LYS 11 1HD LYS 11 20.997 3.944 3.803 77 2HD LYS 11 2HD LYS 11 22.736 4.128 3.708 78 1HE LYS 11 1HE LYS 11 22.641 5.452 5.880 79 2HE LYS 11 2HE LYS 11 20.938 5.008 6.011 80 1HZ LYS 11 3HZ LYS 11 21.621 2.648 5.999 81 2HZ LYS 11 2HZ LYS 11 23.199 3.088 5.928 82 3HZ LYS 11 1HZ LYS 11 22.322 3.462 7.235 83 H HIS 12 H HIS 12 17.158 6.851 2.039 84 HA HIS 12 HA HIS 12 16.096 8.684 4.135 85 1HB HIS 12 1HB HIS 12 17.564 9.531 2.216 86 2HB HIS 12 2HB HIS 12 16.214 9.258 1.135 87 HD1 HIS 12 HD1 HIS 12 14.562 11.455 1.107 88 HD2 HIS 12 HD2 HIS 12 17.231 11.077 4.361 89 HE1 HIS 12 HE1 HIS 12 14.282 13.574 2.482 90 HE2 HIS 12 HE2 HIS 12 15.880 13.384 4.472 91 H SER 13 H SER 13 14.275 9.062 1.492 92 HA SER 13 HA SER 13 11.960 7.430 2.528 93 1HB SER 13 1HB SER 13 11.962 10.427 2.004 94 2HB SER 13 2HB SER 13 10.578 9.451 2.531 95 HG SER 13 HG SER 13 11.760 8.999 4.442 96 H CYS 14 H CYS 14 12.304 6.186 0.751 97 HA CYS 14 HA CYS 14 11.542 7.304 -1.926 98 1HB CYS 14 1HB CYS 14 13.319 5.172 -2.367 99 2HB CYS 14 2HB CYS 14 13.567 6.884 -2.619 100 H THR 15 H THR 15 12.007 4.177 -0.524 101 HA THR 15 HA THR 15 10.837 2.212 -0.446 102 HB THR 15 HB THR 15 8.857 2.688 0.917 103 HG1 THR 15 HG1 THR 15 8.516 4.878 1.510 104 1HG2 THR 15 3HG2 THR 15 11.074 2.487 1.825 105 2HG2 THR 15 2HG2 THR 15 11.332 4.260 1.651 106 3HG2 THR 15 1HG2 THR 15 10.071 3.614 2.735 107 H VAL 16 H VAL 16 7.794 1.462 -2.378 108 HA VAL 16 HA VAL 16 8.511 0.880 0.418 109 HB VAL 16 HB VAL 16 6.812 2.686 0.420 110 1HG1 VAL 16 1HG1 VAL 16 5.705 2.350 -1.772 111 2HG1 VAL 16 2HG1 VAL 16 4.986 0.866 -1.187 112 3HG1 VAL 16 3HG1 VAL 16 4.540 2.418 -0.458 113 1HG2 VAL 16 2HG2 VAL 16 6.752 0.977 2.147 114 2HG2 VAL 16 3HG2 VAL 16 5.153 1.696 1.817 115 3HG2 VAL 16 1HG2 VAL 16 5.516 0.082 1.196 116 H ASP 17 H ASP 17 8.568 -1.165 0.815 117 HA ASP 17 HA ASP 17 8.077 -3.251 -0.981 118 1HB ASP 17 1HB ASP 17 9.545 -2.999 1.249 119 2HB ASP 17 2HB ASP 17 8.120 -3.645 2.029 120 H TRP 18 H TRP 18 6.125 -2.187 1.754 121 HA TRP 18 HA TRP 18 3.914 -4.077 1.314 122 1HB TRP 18 1HB TRP 18 3.013 -2.925 3.373 123 2HB TRP 18 2HB TRP 18 4.553 -3.711 3.553 124 HD1 TRP 18 HD1 TRP 18 6.761 -2.194 3.798 125 HE1 TRP 18 HE1 TRP 18 7.056 0.117 4.845 126 HE3 TRP 18 HE3 TRP 18 1.923 -0.547 3.548 127 HZ2 TRP 18 HZ2 TRP 18 5.389 2.337 5.645 128 HZ3 TRP 18 HZ3 TRP 18 1.282 1.637 4.551 129 HH2 TRP 18 HH2 TRP 18 3.018 3.098 5.584 130 H GLY 19 H GLY 19 4.666 -1.606 -0.499 131 1HA GLY 19 2HA GLY 19 3.456 -0.300 -2.025 132 2HA GLY 19 1HA GLY 19 2.332 0.009 -0.721 133 H THR 20 H THR 20 2.840 -3.329 -1.617 134 HA THR 20 HA THR 20 0.692 -3.627 -3.508 135 HB THR 20 HB THR 20 0.776 -6.066 -2.755 136 HG1 THR 20 HG1 THR 20 2.568 -6.533 -1.356 137 1HG2 THR 20 1HG2 THR 20 2.239 -5.131 -4.593 138 2HG2 THR 20 3HG2 THR 20 3.516 -4.894 -3.383 139 3HG2 THR 20 2HG2 THR 20 2.935 -6.533 -3.769 140 H ALA 21 H ALA 21 0.790 -3.875 0.020 141 HA ALA 21 HA ALA 21 -1.987 -4.564 0.363 142 1HB ALA 21 1HB ALA 21 -0.180 -5.020 2.030 143 2HB ALA 21 3HB ALA 21 -1.550 -4.113 2.733 144 3HB ALA 21 2HB ALA 21 -0.046 -3.285 2.339 145 H ILE 22 H ILE 22 -0.229 -1.420 0.856 146 HA ILE 22 HA ILE 22 -2.712 0.018 1.220 147 HB ILE 22 HB ILE 22 -1.358 2.085 0.881 148 1HG1 ILE 22 1HG1 ILE 22 1.032 0.260 1.073 149 2HG1 ILE 22 2HG1 ILE 22 0.474 0.999 -0.450 150 1HG2 ILE 22 3HG2 ILE 22 -1.968 1.056 3.100 151 2HG2 ILE 22 1HG2 ILE 22 -0.460 0.146 3.068 152 3HG2 ILE 22 2HG2 ILE 22 -0.435 1.923 3.125 153 1HD1 ILE 22 2HD1 ILE 22 0.752 3.263 0.583 154 2HD1 ILE 22 3HD1 ILE 22 1.497 2.478 2.013 155 3HD1 ILE 22 1HD1 ILE 22 2.268 2.323 0.444 156 H GLY 23 H GLY 23 -1.052 -0.939 -1.727 157 1HA GLY 23 2HA GLY 23 -1.534 -0.508 -3.938 158 2HA GLY 23 1HA GLY 23 -2.514 0.884 -3.443 159 H CYS 24 H CYS 24 -2.854 -2.567 -2.509 160 HA CYS 24 HA CYS 24 -5.244 -3.218 -3.850 161 1HB CYS 24 1HB CYS 24 -3.782 -4.778 -2.673 162 2HB CYS 24 2HB CYS 24 -4.138 -4.053 -1.144 163 H ILE 25 H ILE 25 -4.877 -1.833 -0.546 164 HA ILE 25 HA ILE 25 -7.538 -0.915 -0.193 165 HB ILE 25 HB ILE 25 -4.901 -0.062 0.943 166 1HG1 ILE 25 1HG1 ILE 25 -6.341 -0.235 3.105 167 2HG1 ILE 25 2HG1 ILE 25 -7.631 -0.860 2.092 168 1HG2 ILE 25 1HG2 ILE 25 -7.364 1.717 1.137 169 2HG2 ILE 25 2HG2 ILE 25 -6.055 1.797 2.291 170 3HG2 ILE 25 3HG2 ILE 25 -5.728 2.172 0.610 171 1HD1 ILE 25 2HD1 ILE 25 -6.084 -2.713 1.398 172 2HD1 ILE 25 3HD1 ILE 25 -4.852 -2.058 2.488 173 3HD1 ILE 25 1HD1 ILE 25 -6.389 -2.689 3.143 174 H GLY 26 H GLY 26 -4.849 1.049 -1.636 175 1HA GLY 26 2HA GLY 26 -4.880 2.827 -3.074 176 2HA GLY 26 1HA GLY 26 -6.180 3.379 -2.012 177 H ASN 27 H ASN 27 -6.078 0.719 -4.416 178 HA ASN 27 HA ASN 27 -7.764 2.000 -6.371 179 1HB ASN 27 1HB ASN 27 -6.898 -0.872 -5.838 180 2HB ASN 27 2HB ASN 27 -8.019 -0.480 -7.129 181 1HD2 ASN 27 1HD2 ASN 27 -4.651 -0.235 -6.076 182 2HD2 ASN 27 2HD2 ASN 27 -4.061 0.394 -7.603 183 H ASN 28 H ASN 28 -8.569 -0.511 -3.903 184 HA ASN 28 HA ASN 28 -11.368 -0.512 -4.699 185 1HB ASN 28 1HB ASN 28 -9.934 -1.778 -2.352 186 2HB ASN 28 2HB ASN 28 -11.642 -1.993 -2.761 187 1HD2 ASN 28 1HD2 ASN 28 -8.444 -3.038 -3.482 188 2HD2 ASN 28 2HD2 ASN 28 -8.935 -4.150 -4.775 189 H ALA 29 H ALA 29 -9.656 1.271 -2.207 190 HA ALA 29 HA ALA 29 -11.935 2.550 -0.949 191 1HB ALA 29 2HB ALA 29 -10.292 4.379 -0.507 192 2HB ALA 29 3HB ALA 29 -9.684 2.810 0.044 193 3HB ALA 29 1HB ALA 29 -9.075 3.532 -1.474 194 H ALA 30 H ALA 30 -9.827 4.010 -3.614 195 HA ALA 30 HA ALA 30 -11.914 5.892 -3.833 196 1HB ALA 30 3HB ALA 30 -9.509 6.297 -4.447 197 2HB ALA 30 1HB ALA 30 -9.720 5.308 -5.900 198 3HB ALA 30 2HB ALA 30 -10.609 6.833 -5.730 199 H ALA 31 H ALA 31 -12.042 2.801 -5.232 200 HA ALA 31 HA ALA 31 -14.230 3.310 -7.068 201 1HB ALA 31 2HB ALA 31 -13.009 1.199 -7.095 202 2HB ALA 31 1HB ALA 31 -14.713 0.924 -6.680 203 3HB ALA 31 3HB ALA 31 -13.456 0.855 -5.425 204 H ASN 32 H ASN 32 -14.213 2.219 -3.620 205 HA ASN 32 HA ASN 32 -16.202 4.098 -2.833 206 1HB ASN 32 1HB ASN 32 -17.193 1.527 -3.707 207 2HB ASN 32 2HB ASN 32 -17.385 1.577 -1.966 208 1HD2 ASN 32 1HD2 ASN 32 -17.869 3.732 -4.796 209 2HD2 ASN 32 2HD2 ASN 32 -19.439 4.327 -4.256 210 H TRP 33 H TRP 33 -13.733 3.650 -0.538 211 HA TRP 33 HA TRP 33 -14.507 5.531 -2.332 212 1HB TRP 33 1HB TRP 33 -16.265 6.611 -1.718 213 2HB TRP 33 2HB TRP 33 -16.674 5.258 -0.696 214 HD1 TRP 33 HD1 TRP 33 -16.403 5.706 1.934 215 HE1 TRP 33 HE1 TRP 33 -16.083 7.958 3.317 216 HE3 TRP 33 HE3 TRP 33 -14.442 8.381 -1.679 217 HZ2 TRP 33 HZ2 TRP 33 -15.047 10.606 2.729 218 HZ3 TRP 33 HZ3 TRP 33 -13.615 10.764 -1.348 219 HH2 TRP 33 HH2 TRP 33 -13.926 11.854 0.867 220 H ALA 34 H ALA 34 -13.934 5.644 1.156 221 HA ALA 34 HA ALA 34 -11.046 6.161 0.776 222 1HB ALA 34 1HB ALA 34 -11.084 8.027 2.368 223 2HB ALA 34 2HB ALA 34 -12.096 8.379 0.976 224 3HB ALA 34 3HB ALA 34 -12.864 7.906 2.508 225 H THR 35 H THR 35 -11.276 3.892 1.237 226 HA THR 35 HA THR 35 -11.745 1.955 2.345 227 HB THR 35 HB THR 35 -10.623 1.641 4.537 228 HG1 THR 35 HG1 THR 35 -10.837 3.886 5.222 229 1HG2 THR 35 1HG2 THR 35 -9.484 1.439 2.320 230 2HG2 THR 35 3HG2 THR 35 -8.942 3.116 2.493 231 3HG2 THR 35 2HG2 THR 35 -8.384 1.863 3.642 232 H GLY 36 H GLY 36 -14.100 3.256 2.204 233 1HA GLY 36 2HA GLY 36 -15.484 4.054 4.418 234 2HA GLY 36 1HA GLY 36 -15.462 2.309 4.668 235 H GLY 37 H GLY 37 -15.823 3.286 1.299 236 1HA GLY 37 2HA GLY 37 -17.658 3.222 -0.083 237 2HA GLY 37 1HA GLY 37 -18.658 3.547 1.322 238 H ASN 38 H ASN 38 -16.574 0.690 1.131 239 HA ASN 38 HA ASN 38 -19.013 -0.954 1.277 240 1HB ASN 38 1HB ASN 38 -18.683 -2.290 -0.596 241 2HB ASN 38 2HB ASN 38 -18.438 -0.647 -1.176 242 1HD2 ASN 38 1HD2 ASN 38 -15.836 -0.014 -1.115 243 2HD2 ASN 38 2HD2 ASN 38 -14.905 -1.308 -1.807 244 H ALA 39 H ALA 39 -15.443 -1.247 1.252 245 HA ALA 39 HA ALA 39 -13.941 -2.550 2.261 246 1HB ALA 39 1HB ALA 39 -14.825 -1.499 4.253 247 2HB ALA 39 3HB ALA 39 -14.245 -3.127 4.584 248 3HB ALA 39 2HB ALA 39 -15.995 -2.841 4.460 249 H GLY 40 H GLY 40 -16.994 -4.201 1.842 250 1HA GLY 40 2HA GLY 40 -17.493 -6.311 1.027 251 2HA GLY 40 1HA GLY 40 -16.079 -6.928 1.866 252 H TRP 41 H TRP 41 -14.659 -4.667 -0.010 253 HA TRP 41 HA TRP 41 -14.749 -5.555 -2.654 254 1HB TRP 41 1HB TRP 41 -12.931 -4.080 -2.986 255 2HB TRP 41 2HB TRP 41 -13.922 -3.369 -1.750 256 HD1 TRP 41 HD1 TRP 41 -10.719 -5.424 -2.105 257 HE1 TRP 41 HE1 TRP 41 -8.962 -4.637 -0.410 258 HE3 TRP 41 HE3 TRP 41 -13.316 -1.600 0.036 259 HZ2 TRP 41 HZ2 TRP 41 -8.784 -2.743 1.712 260 HZ3 TRP 41 HZ3 TRP 41 -12.319 -0.253 1.777 261 HH2 TRP 41 HH2 TRP 41 -10.072 -0.848 2.743 262 H ASN 42 H ASN 42 -12.351 -6.192 -0.211 263 HA ASN 42 HA ASN 42 -12.525 -9.048 -0.389 264 1HB ASN 42 1HB ASN 42 -10.232 -9.623 -1.071 265 2HB ASN 42 2HB ASN 42 -11.025 -8.716 -2.343 266 1HD2 ASN 42 1HD2 ASN 42 -9.321 -7.582 -3.372 267 2HD2 ASN 42 2HD2 ASN 42 -8.173 -6.614 -2.433 268 H LYS 43 H LYS 43 -12.343 -6.635 1.622 269 HA LYS 43 HA LYS 43 -10.223 -5.551 1.584 270 1HB LYS 43 1HB LYS 43 -10.140 -4.656 3.784 271 2HB LYS 43 2HB LYS 43 -11.814 -4.887 3.279 272 1HG LYS 43 1HG LYS 43 -11.819 -7.070 4.585 273 2HG LYS 43 2HG LYS 43 -10.180 -6.644 5.152 274 1HD LYS 43 1HD LYS 43 -11.064 -4.535 6.111 275 2HD LYS 43 2HD LYS 43 -12.703 -4.923 5.554 276 1HE LYS 43 1HE LYS 43 -11.077 -6.564 7.508 277 2HE LYS 43 2HE LYS 43 -12.266 -5.355 7.996 278 1HZ LYS 43 3HZ LYS 43 -12.880 -7.790 6.422 279 2HZ LYS 43 2HZ LYS 43 -13.222 -7.587 8.002 280 3HZ LYS 43 1HZ LYS 43 -13.970 -6.656 6.897 281 H CYS 44 H CYS 44 -8.235 -5.196 1.975 282 HA CYS 44 HA CYS 44 -6.888 -7.554 1.461 283 1HB CYS 44 1HB CYS 44 -5.523 -4.896 1.902 284 2HB CYS 44 2HB CYS 44 -4.994 -6.163 0.796 No H/Q in entry = 284 Start of MODEL 6 1 H1 LYS 1 2H LYS 1 19.274 2.610 0.892 2 H2 LYS 1 1H LYS 1 20.138 3.904 1.397 3 H3 LYS 1 3H LYS 1 19.077 3.215 2.420 4 HA LYS 1 HA LYS 1 17.213 3.872 1.026 5 1HB LYS 1 1HB LYS 1 18.071 5.297 2.889 6 2HB LYS 1 2HB LYS 1 19.000 6.250 1.709 7 1HG LYS 1 1HG LYS 1 16.873 6.875 0.584 8 2HG LYS 1 2HG LYS 1 15.966 5.910 1.765 9 1HD LYS 1 1HD LYS 1 17.702 8.326 2.418 10 2HD LYS 1 2HD LYS 1 15.959 8.361 2.137 11 1HE LYS 1 1HE LYS 1 15.601 6.813 4.032 12 2HE LYS 1 2HE LYS 1 17.344 6.844 4.388 13 1HZ LYS 1 2HZ LYS 1 15.571 9.237 4.413 14 2HZ LYS 1 1HZ LYS 1 16.095 8.464 5.745 15 3HZ LYS 1 3HZ LYS 1 17.161 9.224 4.775 16 H TYR 2 H TYR 2 16.415 4.786 -0.831 17 HA TYR 2 HA TYR 2 16.235 5.991 -2.719 18 1HB TYR 2 1HB TYR 2 19.226 6.334 -2.870 19 2HB TYR 2 2HB TYR 2 18.016 7.091 -3.890 20 HD1 TYR 2 HD1 TYR 2 20.014 7.609 -1.034 21 HD2 TYR 2 HD2 TYR 2 16.084 8.446 -2.601 22 HE1 TYR 2 HE1 TYR 2 19.756 9.480 0.581 23 HE2 TYR 2 HE2 TYR 2 15.804 10.268 -0.975 24 HH TYR 2 HH TYR 2 16.805 11.480 0.715 25 H TYR 3 H TYR 3 15.336 4.385 -3.759 26 HA TYR 3 HA TYR 3 16.960 2.636 -5.590 27 1HB TYR 3 1HB TYR 3 16.457 1.345 -3.622 28 2HB TYR 3 2HB TYR 3 14.753 1.751 -3.700 29 HD1 TYR 3 HD1 TYR 3 17.496 0.110 -5.659 30 HD2 TYR 3 HD2 TYR 3 13.272 0.381 -4.926 31 HE1 TYR 3 HE1 TYR 3 17.113 -1.737 -7.280 32 HE2 TYR 3 HE2 TYR 3 12.854 -1.461 -6.550 33 HH TYR 3 HH TYR 3 15.532 -3.098 -8.286 34 H GLY 4 H GLY 4 13.461 3.073 -4.896 35 1HA GLY 4 2HA GLY 4 13.069 4.838 -7.109 36 2HA GLY 4 1HA GLY 4 11.819 4.166 -6.037 37 H ASN 5 H ASN 5 13.003 1.478 -7.170 38 HA ASN 5 HA ASN 5 11.245 1.357 -9.604 39 1HB ASN 5 1HB ASN 5 13.709 1.122 -10.047 40 2HB ASN 5 2HB ASN 5 13.767 -0.241 -8.947 41 1HD2 ASN 5 1HD2 ASN 5 13.655 -2.189 -9.881 42 2HD2 ASN 5 2HD2 ASN 5 12.987 -2.509 -11.484 43 H GLY 6 H GLY 6 10.637 0.933 -6.616 44 1HA GLY 6 2HA GLY 6 10.360 -1.968 -6.250 45 2HA GLY 6 1HA GLY 6 8.907 -0.973 -6.067 46 H VAL 7 H VAL 7 10.132 -2.451 -3.997 47 HA VAL 7 HA VAL 7 10.038 -1.431 -1.698 48 HB VAL 7 HB VAL 7 11.019 -3.666 -2.615 49 1HG1 VAL 7 3HG1 VAL 7 13.210 -2.616 -3.165 50 2HG1 VAL 7 1HG1 VAL 7 13.477 -2.377 -1.413 51 3HG1 VAL 7 2HG1 VAL 7 13.332 -4.032 -2.101 52 1HG2 VAL 7 3HG2 VAL 7 11.561 -2.571 0.160 53 2HG2 VAL 7 1HG2 VAL 7 10.054 -3.307 -0.467 54 3HG2 VAL 7 2HG2 VAL 7 11.515 -4.288 -0.307 55 H HIS 8 H HIS 8 10.704 -0.085 -0.268 56 HA HIS 8 HA HIS 8 13.196 1.519 -0.711 57 1HB HIS 8 1HB HIS 8 10.710 2.328 0.861 58 2HB HIS 8 2HB HIS 8 12.127 3.313 0.570 59 HD1 HIS 8 HD1 HIS 8 9.229 1.720 -1.295 60 HD2 HIS 8 HD2 HIS 8 12.271 4.570 -1.799 61 HE1 HIS 8 HE1 HIS 8 8.914 2.680 -3.674 62 HE2 HIS 8 HE2 HIS 8 10.640 4.567 -3.891 63 H CYS 9 H CYS 9 14.438 2.061 1.007 64 HA CYS 9 HA CYS 9 14.273 0.520 3.542 65 1HB CYS 9 1HB CYS 9 15.620 -0.619 1.652 66 2HB CYS 9 2HB CYS 9 16.789 0.657 1.780 67 H GLY 10 H GLY 10 14.996 1.670 5.301 68 1HA GLY 10 2HA GLY 10 15.744 3.597 6.489 69 2HA GLY 10 1HA GLY 10 16.261 4.350 5.000 70 H LYS 11 H LYS 11 17.240 2.637 7.665 71 HA LYS 11 HA LYS 11 19.821 1.633 6.486 72 1HB LYS 11 1HB LYS 11 19.255 2.642 9.300 73 2HB LYS 11 2HB LYS 11 20.768 1.961 8.770 74 1HG LYS 11 1HG LYS 11 19.526 4.498 7.668 75 2HG LYS 11 2HG LYS 11 20.822 4.420 8.864 76 1HD LYS 11 1HD LYS 11 21.022 3.495 5.971 77 2HD LYS 11 2HD LYS 11 21.692 4.959 6.654 78 1HE LYS 11 1HE LYS 11 23.140 3.662 8.167 79 2HE LYS 11 2HE LYS 11 22.507 2.165 7.536 80 1HZ LYS 11 1HZ LYS 11 23.993 4.190 5.935 81 2HZ LYS 11 3HZ LYS 11 24.595 2.768 6.479 82 3HZ LYS 11 2HZ LYS 11 23.415 2.776 5.353 83 H HIS 12 H HIS 12 16.912 0.517 7.415 84 HA HIS 12 HA HIS 12 17.854 -1.361 9.482 85 1HB HIS 12 1HB HIS 12 15.995 0.402 9.764 86 2HB HIS 12 2HB HIS 12 14.928 -0.746 9.000 87 HD1 HIS 12 HD1 HIS 12 14.880 -3.276 10.418 88 HD2 HIS 12 HD2 HIS 12 16.588 0.124 12.233 89 HE1 HIS 12 HE1 HIS 12 14.947 -3.761 12.943 90 HE2 HIS 12 HE2 HIS 12 16.021 -1.702 14.046 91 H SER 13 H SER 13 15.051 -1.960 7.393 92 HA SER 13 HA SER 13 16.032 -4.784 7.052 93 1HB SER 13 1HB SER 13 13.191 -3.866 7.697 94 2HB SER 13 2HB SER 13 13.762 -5.516 7.480 95 HG SER 13 HG SER 13 13.845 -5.224 9.605 96 H CYS 14 H CYS 14 14.980 -2.176 5.219 97 HA CYS 14 HA CYS 14 14.224 -1.817 3.099 98 1HB CYS 14 1HB CYS 14 15.637 -4.421 2.492 99 2HB CYS 14 2HB CYS 14 15.350 -3.091 1.399 100 H THR 15 H THR 15 12.053 -1.761 3.055 101 HA THR 15 HA THR 15 10.636 -4.341 3.461 102 HB THR 15 HB THR 15 9.016 -2.820 4.658 103 HG1 THR 15 HG1 THR 15 9.928 -0.875 5.417 104 1HG2 THR 15 3HG2 THR 15 10.684 -4.272 5.881 105 2HG2 THR 15 2HG2 THR 15 11.834 -2.915 5.810 106 3HG2 THR 15 1HG2 THR 15 10.330 -2.780 6.745 107 H VAL 16 H VAL 16 9.894 -1.080 2.167 108 HA VAL 16 HA VAL 16 7.418 -2.272 0.988 109 HB VAL 16 HB VAL 16 7.879 -0.163 3.052 110 1HG1 VAL 16 2HG1 VAL 16 5.535 0.033 1.149 111 2HG1 VAL 16 3HG1 VAL 16 5.643 0.794 2.752 112 3HG1 VAL 16 1HG1 VAL 16 6.766 1.292 1.491 113 1HG2 VAL 16 1HG2 VAL 16 6.958 -2.491 3.491 114 2HG2 VAL 16 2HG2 VAL 16 5.916 -1.163 4.047 115 3HG2 VAL 16 3HG2 VAL 16 5.507 -2.019 2.552 116 H ASP 17 H ASP 17 6.831 -1.878 -0.833 117 HA ASP 17 HA ASP 17 6.659 0.941 -1.590 118 1HB ASP 17 1HB ASP 17 8.284 0.214 -3.252 119 2HB ASP 17 2HB ASP 17 7.279 -1.164 -3.691 120 H TRP 18 H TRP 18 5.432 -2.350 -1.736 121 HA TRP 18 HA TRP 18 2.782 -2.118 -2.373 122 1HB TRP 18 1HB TRP 18 2.540 -4.153 -1.091 123 2HB TRP 18 2HB TRP 18 4.022 -4.163 -2.052 124 HD1 TRP 18 HD1 TRP 18 6.415 -4.132 -0.702 125 HE1 TRP 18 HE1 TRP 18 7.041 -4.774 1.657 126 HE3 TRP 18 HE3 TRP 18 1.727 -4.147 1.387 127 HZ2 TRP 18 HZ2 TRP 18 5.723 -5.350 4.128 128 HZ3 TRP 18 HZ3 TRP 18 1.457 -4.759 3.787 129 HH2 TRP 18 HH2 TRP 18 3.437 -5.353 5.166 130 H GLY 19 H GLY 19 4.118 -0.403 0.200 131 1HA GLY 19 2HA GLY 19 3.157 1.168 1.549 132 2HA GLY 19 1HA GLY 19 2.024 -0.079 2.086 133 H THR 20 H THR 20 2.371 1.040 -1.233 134 HA THR 20 HA THR 20 0.109 2.831 -1.472 135 HB THR 20 HB THR 20 0.243 2.253 -3.898 136 HG1 THR 20 HG1 THR 20 2.558 0.812 -3.243 137 1HG2 THR 20 2HG2 THR 20 1.610 4.086 -2.876 138 2HG2 THR 20 1HG2 THR 20 2.959 2.928 -2.658 139 3HG2 THR 20 3HG2 THR 20 2.408 3.335 -4.280 140 H ALA 21 H ALA 21 0.357 -0.671 -1.847 141 HA ALA 21 HA ALA 21 -2.406 -1.079 -2.602 142 1HB ALA 21 3HB ALA 21 -0.566 -2.758 -2.961 143 2HB ALA 21 2HB ALA 21 -1.999 -3.406 -2.142 144 3HB ALA 21 1HB ALA 21 -0.544 -3.038 -1.212 145 H ILE 22 H ILE 22 -0.774 -1.230 0.570 146 HA ILE 22 HA ILE 22 -3.090 -1.699 2.159 147 HB ILE 22 HB ILE 22 -0.970 0.182 3.217 148 1HG1 ILE 22 1HG1 ILE 22 -0.580 -2.798 2.817 149 2HG1 ILE 22 2HG1 ILE 22 0.346 -1.500 2.083 150 1HG2 ILE 22 1HG2 ILE 22 -3.001 -0.437 4.558 151 2HG2 ILE 22 2HG2 ILE 22 -2.506 -2.143 4.466 152 3HG2 ILE 22 3HG2 ILE 22 -1.501 -0.924 5.305 153 1HD1 ILE 22 2HD1 ILE 22 1.046 -0.737 4.381 154 2HD1 ILE 22 3HD1 ILE 22 0.337 -2.238 5.026 155 3HD1 ILE 22 1HD1 ILE 22 1.677 -2.319 3.868 156 H GLY 23 H GLY 23 -1.654 1.427 1.207 157 1HA GLY 23 2HA GLY 23 -2.578 3.572 1.016 158 2HA GLY 23 1HA GLY 23 -3.627 3.119 2.371 159 H CYS 24 H CYS 24 -3.495 1.730 -0.882 160 HA CYS 24 HA CYS 24 -5.850 2.871 -1.941 161 1HB CYS 24 1HB CYS 24 -4.002 1.766 -3.184 162 2HB CYS 24 2HB CYS 24 -4.539 0.205 -2.574 163 H ILE 25 H ILE 25 -5.511 -0.373 -0.415 164 HA ILE 25 HA ILE 25 -8.268 -0.987 -0.044 165 HB ILE 25 HB ILE 25 -5.661 -1.856 1.165 166 1HG1 ILE 25 1HG1 ILE 25 -6.717 -4.117 0.803 167 2HG1 ILE 25 2HG1 ILE 25 -8.164 -3.334 0.196 168 1HG2 ILE 25 2HG2 ILE 25 -8.290 -2.343 2.620 169 2HG2 ILE 25 3HG2 ILE 25 -6.797 -3.271 2.875 170 3HG2 ILE 25 1HG2 ILE 25 -6.821 -1.568 3.282 171 1HD1 ILE 25 3HD1 ILE 25 -6.705 -2.331 -1.666 172 2HD1 ILE 25 1HD1 ILE 25 -5.339 -3.272 -1.004 173 3HD1 ILE 25 2HD1 ILE 25 -6.736 -4.110 -1.652 174 H GLY 26 H GLY 26 -6.127 0.892 2.190 175 1HA GLY 26 2HA GLY 26 -6.637 2.191 3.965 176 2HA GLY 26 1HA GLY 26 -8.030 1.154 4.215 177 H ASN 27 H ASN 27 -7.302 3.426 1.594 178 HA ASN 27 HA ASN 27 -9.101 5.533 2.302 179 1HB ASN 27 1HB ASN 27 -7.278 5.809 0.665 180 2HB ASN 27 2HB ASN 27 -7.963 4.550 -0.362 181 1HD2 ASN 27 1HD2 ASN 27 -9.405 5.149 -1.965 182 2HD2 ASN 27 2HD2 ASN 27 -10.103 6.754 -2.053 183 H ASN 28 H ASN 28 -9.514 2.776 0.043 184 HA ASN 28 HA ASN 28 -12.286 3.368 -0.460 185 1HB ASN 28 1HB ASN 28 -10.456 1.013 -1.121 186 2HB ASN 28 2HB ASN 28 -12.145 1.133 -1.599 187 1HD2 ASN 28 1HD2 ASN 28 -8.964 2.025 -2.552 188 2HD2 ASN 28 2HD2 ASN 28 -9.501 3.060 -3.884 189 H ALA 29 H ALA 29 -10.729 1.277 1.938 190 HA ALA 29 HA ALA 29 -13.058 -0.055 2.944 191 1HB ALA 29 1HB ALA 29 -10.684 1.077 4.476 192 2HB ALA 29 2HB ALA 29 -11.983 0.088 5.145 193 3HB ALA 29 3HB ALA 29 -10.906 -0.586 3.874 194 H ALA 30 H ALA 30 -11.763 3.235 3.953 195 HA ALA 30 HA ALA 30 -14.093 3.629 5.543 196 1HB ALA 30 1HB ALA 30 -11.950 4.891 5.849 197 2HB ALA 30 2HB ALA 30 -12.256 5.723 4.304 198 3HB ALA 30 3HB ALA 30 -13.326 5.990 5.701 199 H ALA 31 H ALA 31 -13.645 4.263 2.092 200 HA ALA 31 HA ALA 31 -16.147 5.643 1.672 201 1HB ALA 31 3HB ALA 31 -14.656 3.839 -0.251 202 2HB ALA 31 2HB ALA 31 -14.326 5.582 0.016 203 3HB ALA 31 1HB ALA 31 -15.876 5.048 -0.633 204 H ASN 32 H ASN 32 -15.343 2.165 1.574 205 HA ASN 32 HA ASN 32 -17.968 1.107 1.040 206 1HB ASN 32 1HB ASN 32 -15.362 0.030 2.187 207 2HB ASN 32 2HB ASN 32 -16.834 -0.934 2.199 208 1HD2 ASN 32 1HD2 ASN 32 -16.332 1.107 -0.706 209 2HD2 ASN 32 2HD2 ASN 32 -15.968 -0.360 -1.629 210 H TRP 33 H TRP 33 -16.260 1.577 4.054 211 HA TRP 33 HA TRP 33 -17.938 0.647 6.168 212 1HB TRP 33 1HB TRP 33 -18.383 -1.187 4.490 213 2HB TRP 33 2HB TRP 33 -16.638 -1.336 4.293 214 HD1 TRP 33 HD1 TRP 33 -17.368 -3.948 4.651 215 HE1 TRP 33 HE1 TRP 33 -17.613 -5.380 6.789 216 HE3 TRP 33 HE3 TRP 33 -17.109 -0.274 8.132 217 HZ2 TRP 33 HZ2 TRP 33 -17.907 -4.967 9.611 218 HZ3 TRP 33 HZ3 TRP 33 -17.365 -0.794 10.566 219 HH2 TRP 33 HH2 TRP 33 -17.824 -3.121 11.311 220 H ALA 34 H ALA 34 -15.576 -1.496 6.017 221 HA ALA 34 HA ALA 34 -13.138 -0.069 6.993 222 1HB ALA 34 1HB ALA 34 -14.538 -0.689 8.932 223 2HB ALA 34 3HB ALA 34 -13.084 -1.698 8.850 224 3HB ALA 34 2HB ALA 34 -14.626 -2.364 8.304 225 H THR 35 H THR 35 -14.229 -1.740 4.635 226 HA THR 35 HA THR 35 -13.037 -2.879 2.935 227 HB THR 35 HB THR 35 -11.971 -5.101 3.336 228 HG1 THR 35 HG1 THR 35 -11.797 -4.101 5.940 229 1HG2 THR 35 1HG2 THR 35 -10.725 -3.002 2.754 230 2HG2 THR 35 3HG2 THR 35 -10.425 -2.755 4.504 231 3HG2 THR 35 2HG2 THR 35 -9.794 -4.179 3.695 232 H GLY 36 H GLY 36 -14.944 -3.281 2.005 233 1HA GLY 36 2HA GLY 36 -16.257 -5.881 2.796 234 2HA GLY 36 1HA GLY 36 -15.588 -5.567 1.205 235 H GLY 37 H GLY 37 -17.331 -2.896 2.635 236 1HA GLY 37 2HA GLY 37 -19.228 -1.792 1.855 237 2HA GLY 37 1HA GLY 37 -20.009 -3.381 1.980 238 H ASN 38 H ASN 38 -17.492 -2.355 -0.342 239 HA ASN 38 HA ASN 38 -18.848 -3.677 -2.496 240 1HB ASN 38 1HB ASN 38 -20.065 -1.522 -2.671 241 2HB ASN 38 2HB ASN 38 -18.533 -0.636 -2.646 242 1HD2 ASN 38 1HD2 ASN 38 -20.038 -3.366 -4.505 243 2HD2 ASN 38 2HD2 ASN 38 -19.517 -2.734 -6.055 244 H ALA 39 H ALA 39 -17.046 -4.903 -2.752 245 HA ALA 39 HA ALA 39 -14.334 -3.941 -2.888 246 1HB ALA 39 1HB ALA 39 -15.476 -6.486 -4.091 247 2HB ALA 39 2HB ALA 39 -13.769 -6.169 -3.634 248 3HB ALA 39 3HB ALA 39 -15.009 -6.284 -2.389 249 H GLY 40 H GLY 40 -16.836 -3.844 -5.266 250 1HA GLY 40 2HA GLY 40 -17.025 -2.693 -7.228 251 2HA GLY 40 1HA GLY 40 -15.403 -3.276 -7.659 252 H TRP 41 H TRP 41 -14.896 -1.651 -4.809 253 HA TRP 41 HA TRP 41 -14.917 1.079 -5.285 254 1HB TRP 41 1HB TRP 41 -13.368 1.214 -3.523 255 2HB TRP 41 2HB TRP 41 -14.358 -0.156 -3.183 256 HD1 TRP 41 HD1 TRP 41 -10.896 0.476 -4.761 257 HE1 TRP 41 HE1 TRP 41 -9.166 -0.973 -3.631 258 HE3 TRP 41 HE3 TRP 41 -13.901 -2.018 -1.448 259 HZ2 TRP 41 HZ2 TRP 41 -9.060 -3.107 -1.758 260 HZ3 TRP 41 HZ3 TRP 41 -12.859 -3.561 0.178 261 HH2 TRP 41 HH2 TRP 41 -10.493 -4.195 -0.006 262 H ASN 42 H ASN 42 -12.608 -1.180 -6.089 263 HA ASN 42 HA ASN 42 -11.714 -0.965 -8.570 264 1HB ASN 42 1HB ASN 42 -9.820 0.570 -8.806 265 2HB ASN 42 2HB ASN 42 -11.239 1.467 -8.411 266 1HD2 ASN 42 1HD2 ASN 42 -8.467 -0.068 -6.744 267 2HD2 ASN 42 2HD2 ASN 42 -8.227 1.223 -5.569 268 H LYS 43 H LYS 43 -11.762 -2.749 -6.280 269 HA LYS 43 HA LYS 43 -9.894 -3.221 -4.595 270 1HB LYS 43 1HB LYS 43 -10.141 -5.577 -4.668 271 2HB LYS 43 2HB LYS 43 -11.666 -4.742 -4.771 272 1HG LYS 43 1HG LYS 43 -11.642 -5.064 -7.275 273 2HG LYS 43 2HG LYS 43 -10.150 -5.979 -7.117 274 1HD LYS 43 1HD LYS 43 -11.334 -7.615 -5.626 275 2HD LYS 43 2HD LYS 43 -12.811 -6.619 -5.748 276 1HE LYS 43 1HE LYS 43 -12.897 -7.015 -8.167 277 2HE LYS 43 2HE LYS 43 -11.396 -7.934 -8.101 278 1HZ LYS 43 2HZ LYS 43 -13.918 -8.708 -6.689 279 2HZ LYS 43 1HZ LYS 43 -13.411 -9.368 -8.083 280 3HZ LYS 43 3HZ LYS 43 -12.547 -9.578 -6.716 281 H CYS 44 H CYS 44 -7.906 -3.022 -4.332 282 HA CYS 44 HA CYS 44 -6.512 -2.514 -6.669 283 1HB CYS 44 1HB CYS 44 -5.217 -2.480 -3.911 284 2HB CYS 44 2HB CYS 44 -4.875 -1.456 -5.304 No H/Q in entry = 284 Start of MODEL 7 1 H1 LYS 1 3H LYS 1 -12.058 2.339 8.538 2 H2 LYS 1 2H LYS 1 -12.544 1.369 9.757 3 H3 LYS 1 1H LYS 1 -10.966 1.324 9.230 4 HA LYS 1 HA LYS 1 -11.667 0.550 7.090 5 1HB LYS 1 1HB LYS 1 -12.142 -1.740 7.672 6 2HB LYS 1 2HB LYS 1 -10.960 -1.067 8.770 7 1HG LYS 1 1HG LYS 1 -12.593 -0.886 10.567 8 2HG LYS 1 2HG LYS 1 -13.902 -1.264 9.457 9 1HD LYS 1 1HD LYS 1 -13.480 -3.215 10.771 10 2HD LYS 1 2HD LYS 1 -13.022 -3.546 9.113 11 1HE LYS 1 1HE LYS 1 -11.425 -4.572 10.513 12 2HE LYS 1 2HE LYS 1 -10.609 -3.236 9.728 13 1HZ LYS 1 1HZ LYS 1 -11.684 -3.169 12.483 14 2HZ LYS 1 3HZ LYS 1 -10.088 -3.309 12.105 15 3HZ LYS 1 2HZ LYS 1 -10.881 -1.941 11.770 16 H TYR 2 H TYR 2 -13.691 -1.144 6.387 17 HA TYR 2 HA TYR 2 -15.749 -1.376 5.561 18 1HB TYR 2 1HB TYR 2 -16.833 0.683 7.473 19 2HB TYR 2 2HB TYR 2 -17.701 -0.597 6.668 20 HD1 TYR 2 HD1 TYR 2 -16.388 -3.090 7.182 21 HD2 TYR 2 HD2 TYR 2 -16.668 0.365 9.747 22 HE1 TYR 2 HE1 TYR 2 -16.190 -4.548 9.174 23 HE2 TYR 2 HE2 TYR 2 -16.501 -1.114 11.758 24 HH TYR 2 HH TYR 2 -16.256 -4.664 11.453 25 H TYR 3 H TYR 3 -13.968 0.897 4.767 26 HA TYR 3 HA TYR 3 -15.576 2.855 3.354 27 1HB TYR 3 1HB TYR 3 -13.282 3.400 3.804 28 2HB TYR 3 2HB TYR 3 -12.713 1.867 3.174 29 HD1 TYR 3 HD1 TYR 3 -12.319 1.499 0.802 30 HD2 TYR 3 HD2 TYR 3 -14.044 5.186 2.217 31 HE1 TYR 3 HE1 TYR 3 -12.030 2.508 -1.438 32 HE2 TYR 3 HE2 TYR 3 -13.718 6.199 -0.039 33 HH TYR 3 HH TYR 3 -13.062 5.832 -2.185 34 H GLY 4 H GLY 4 -13.961 -0.145 2.342 35 1HA GLY 4 2HA GLY 4 -16.061 -1.398 1.168 36 2HA GLY 4 1HA GLY 4 -14.385 -1.744 0.808 37 H ASN 5 H ASN 5 -13.420 -0.880 -1.043 38 HA ASN 5 HA ASN 5 -15.371 -0.689 -3.277 39 1HB ASN 5 1HB ASN 5 -14.353 1.535 -3.086 40 2HB ASN 5 2HB ASN 5 -12.742 0.825 -3.109 41 1HD2 ASN 5 1HD2 ASN 5 -15.772 1.009 -5.130 42 2HD2 ASN 5 2HD2 ASN 5 -14.874 0.888 -6.621 43 H GLY 6 H GLY 6 -11.963 -1.036 -3.194 44 1HA GLY 6 2HA GLY 6 -10.851 -3.118 -4.299 45 2HA GLY 6 1HA GLY 6 -12.119 -4.023 -3.471 46 H VAL 7 H VAL 7 -9.956 -1.273 -2.559 47 HA VAL 7 HA VAL 7 -8.665 -2.318 -0.331 48 HB VAL 7 HB VAL 7 -8.531 -0.125 -1.863 49 1HG1 VAL 7 3HG1 VAL 7 -10.570 0.809 -0.872 50 2HG1 VAL 7 1HG1 VAL 7 -9.729 0.946 0.686 51 3HG1 VAL 7 2HG1 VAL 7 -9.140 1.866 -0.726 52 1HG2 VAL 7 2HG2 VAL 7 -7.546 -0.485 0.959 53 2HG2 VAL 7 3HG2 VAL 7 -6.798 -1.006 -0.589 54 3HG2 VAL 7 1HG2 VAL 7 -6.917 0.724 -0.215 55 H HIS 8 H HIS 8 -8.802 -1.753 1.825 56 HA HIS 8 HA HIS 8 -9.729 -1.946 3.866 57 1HB HIS 8 1HB HIS 8 -10.702 0.763 2.934 58 2HB HIS 8 2HB HIS 8 -10.423 0.292 4.602 59 HD1 HIS 8 HD1 HIS 8 -7.548 -0.981 4.452 60 HD2 HIS 8 HD2 HIS 8 -8.821 2.512 2.455 61 HE1 HIS 8 HE1 HIS 8 -5.439 0.378 3.928 62 HE2 HIS 8 HE2 HIS 8 -6.233 2.506 2.730 63 H CYS 9 H CYS 9 -11.170 -3.731 3.669 64 HA CYS 9 HA CYS 9 -13.988 -2.923 3.705 65 1HB CYS 9 1HB CYS 9 -12.926 -5.333 2.623 66 2HB CYS 9 2HB CYS 9 -14.300 -5.591 3.675 67 H GLY 10 H GLY 10 -12.436 -5.795 5.023 68 1HA GLY 10 2HA GLY 10 -13.913 -5.464 7.577 69 2HA GLY 10 1HA GLY 10 -12.200 -5.953 7.635 70 H LYS 11 H LYS 11 -14.819 -7.367 8.304 71 HA LYS 11 HA LYS 11 -14.229 -10.025 7.427 72 1HB LYS 11 1HB LYS 11 -15.578 -9.271 9.462 73 2HB LYS 11 2HB LYS 11 -16.915 -8.932 8.380 74 1HG LYS 11 1HG LYS 11 -16.956 -11.321 7.664 75 2HG LYS 11 2HG LYS 11 -15.628 -11.651 8.820 76 1HD LYS 11 1HD LYS 11 -18.389 -10.564 9.531 77 2HD LYS 11 2HD LYS 11 -17.915 -12.259 9.617 78 1HE LYS 11 1HE LYS 11 -16.181 -11.719 11.314 79 2HE LYS 11 2HE LYS 11 -16.624 -10.019 11.222 80 1HZ LYS 11 1HZ LYS 11 -18.853 -10.610 11.996 81 2HZ LYS 11 3HZ LYS 11 -18.438 -12.182 12.075 82 3HZ LYS 11 2HZ LYS 11 -17.717 -11.114 13.074 83 H HIS 12 H HIS 12 -15.927 -7.571 5.803 84 HA HIS 12 HA HIS 12 -17.311 -9.103 3.802 85 1HB HIS 12 1HB HIS 12 -17.034 -6.377 4.522 86 2HB HIS 12 2HB HIS 12 -16.377 -6.489 2.920 87 HD1 HIS 12 HD1 HIS 12 -18.239 -6.658 0.984 88 HD2 HIS 12 HD2 HIS 12 -19.571 -7.402 4.924 89 HE1 HIS 12 HE1 HIS 12 -20.803 -6.890 0.848 90 HE2 HIS 12 HE2 HIS 12 -21.608 -7.358 3.237 91 H SER 13 H SER 13 -14.044 -8.733 4.168 92 HA SER 13 HA SER 13 -12.292 -9.709 3.159 93 1HB SER 13 1HB SER 13 -14.164 -10.872 1.089 94 2HB SER 13 2HB SER 13 -12.537 -11.415 1.465 95 HG SER 13 HG SER 13 -13.266 -11.925 3.593 96 H CYS 14 H CYS 14 -13.622 -7.121 1.717 97 HA CYS 14 HA CYS 14 -12.073 -6.979 -0.718 98 1HB CYS 14 1HB CYS 14 -12.693 -4.320 0.393 99 2HB CYS 14 2HB CYS 14 -13.011 -5.001 -1.131 100 H THR 15 H THR 15 -11.476 -4.772 1.876 101 HA THR 15 HA THR 15 -9.593 -3.964 2.929 102 HB THR 15 HB THR 15 -8.841 -6.866 2.961 103 HG1 THR 15 HG1 THR 15 -10.288 -6.953 4.648 104 1HG2 THR 15 3HG2 THR 15 -7.196 -5.297 4.123 105 2HG2 THR 15 2HG2 THR 15 -8.566 -4.646 5.028 106 3HG2 THR 15 1HG2 THR 15 -8.097 -6.337 5.265 107 H VAL 16 H VAL 16 -8.126 -6.231 0.552 108 HA VAL 16 HA VAL 16 -5.954 -4.232 0.133 109 HB VAL 16 HB VAL 16 -5.614 -7.264 0.307 110 1HG1 VAL 16 3HG1 VAL 16 -3.988 -6.201 -1.342 111 2HG1 VAL 16 1HG1 VAL 16 -3.507 -5.081 -0.039 112 3HG1 VAL 16 2HG1 VAL 16 -3.187 -6.814 0.110 113 1HG2 VAL 16 2HG2 VAL 16 -4.558 -5.010 2.079 114 2HG2 VAL 16 3HG2 VAL 16 -5.797 -6.216 2.543 115 3HG2 VAL 16 1HG2 VAL 16 -4.141 -6.709 2.251 116 H ASP 17 H ASP 17 -7.263 -3.410 -1.484 117 HA ASP 17 HA ASP 17 -6.479 -4.482 -4.130 118 1HB ASP 17 1HB ASP 17 -8.354 -2.883 -3.953 119 2HB ASP 17 2HB ASP 17 -7.257 -1.691 -3.221 120 H TRP 18 H TRP 18 -5.263 -2.639 -1.405 121 HA TRP 18 HA TRP 18 -3.093 -1.347 -2.717 122 1HB TRP 18 1HB TRP 18 -2.566 -0.436 -0.635 123 2HB TRP 18 2HB TRP 18 -4.296 -0.421 -0.808 124 HD1 TRP 18 HD1 TRP 18 -5.688 -2.104 0.897 125 HE1 TRP 18 HE1 TRP 18 -5.137 -2.760 3.306 126 HE3 TRP 18 HE3 TRP 18 -0.646 -1.230 0.836 127 HZ2 TRP 18 HZ2 TRP 18 -2.824 -2.837 5.008 128 HZ3 TRP 18 HZ3 TRP 18 0.682 -1.438 2.908 129 HH2 TRP 18 HH2 TRP 18 -0.389 -2.251 5.003 130 H GLY 19 H GLY 19 -3.087 -4.525 -2.438 131 1HA GLY 19 2HA GLY 19 -1.333 -6.151 -2.304 132 2HA GLY 19 1HA GLY 19 -0.477 -5.055 -1.206 133 H THR 20 H THR 20 -1.497 -3.903 -4.375 134 HA THR 20 HA THR 20 1.084 -4.119 -5.613 135 HB THR 20 HB THR 20 -1.022 -1.976 -6.198 136 HG1 THR 20 HG1 THR 20 -1.834 -3.490 -7.670 137 1HG2 THR 20 2HG2 THR 20 1.102 -3.307 -7.937 138 2HG2 THR 20 1HG2 THR 20 -0.133 -2.169 -8.507 139 3HG2 THR 20 3HG2 THR 20 1.114 -1.618 -7.391 140 H ALA 21 H ALA 21 -0.297 -1.792 -3.321 141 HA ALA 21 HA ALA 21 1.827 0.164 -3.532 142 1HB ALA 21 3HB ALA 21 0.035 -0.325 -1.115 143 2HB ALA 21 2HB ALA 21 -0.483 0.582 -2.557 144 3HB ALA 21 1HB ALA 21 0.889 1.154 -1.586 145 H ILE 22 H ILE 22 1.269 -2.670 -1.371 146 HA ILE 22 HA ILE 22 3.750 -2.562 0.011 147 HB ILE 22 HB ILE 22 1.959 -4.866 -0.785 148 1HG1 ILE 22 1HG1 ILE 22 1.180 -3.087 0.876 149 2HG1 ILE 22 2HG1 ILE 22 0.994 -4.770 1.284 150 1HG2 ILE 22 2HG2 ILE 22 4.440 -5.122 0.928 151 2HG2 ILE 22 3HG2 ILE 22 3.108 -6.294 0.865 152 3HG2 ILE 22 1HG2 ILE 22 4.065 -5.956 -0.587 153 1HD1 ILE 22 3HD1 ILE 22 3.317 -2.989 2.245 154 2HD1 ILE 22 1HD1 ILE 22 1.885 -3.402 3.228 155 3HD1 ILE 22 2HD1 ILE 22 2.994 -4.662 2.762 156 H GLY 23 H GLY 23 3.047 -4.132 -3.127 157 1HA GLY 23 2HA GLY 23 4.462 -4.800 -4.856 158 2HA GLY 23 1HA GLY 23 5.675 -5.190 -3.601 159 H CYS 24 H CYS 24 4.194 -2.146 -4.661 160 HA CYS 24 HA CYS 24 6.316 -0.871 -5.955 161 1HB CYS 24 1HB CYS 24 3.977 -0.181 -5.935 162 2HB CYS 24 2HB CYS 24 4.062 0.210 -4.222 163 H ILE 25 H ILE 25 5.375 -0.166 -2.555 164 HA ILE 25 HA ILE 25 7.745 1.204 -1.780 165 HB ILE 25 HB ILE 25 5.517 -0.135 -0.261 166 1HG1 ILE 25 1HG1 ILE 25 5.360 2.128 0.763 167 2HG1 ILE 25 2HG1 ILE 25 6.819 2.604 -0.090 168 1HG2 ILE 25 2HG2 ILE 25 8.118 0.772 1.072 169 2HG2 ILE 25 3HG2 ILE 25 6.596 0.497 1.934 170 3HG2 ILE 25 1HG2 ILE 25 7.389 -0.847 1.152 171 1HD1 ILE 25 1HD1 ILE 25 4.151 1.847 -1.406 172 2HD1 ILE 25 2HD1 ILE 25 4.737 3.508 -1.092 173 3HD1 ILE 25 3HD1 ILE 25 5.586 2.468 -2.246 174 H GLY 26 H GLY 26 7.066 -2.328 -1.440 175 1HA GLY 26 2HA GLY 26 8.481 -4.099 -1.109 176 2HA GLY 26 1HA GLY 26 9.258 -3.037 0.074 177 H ASN 27 H ASN 27 9.101 -3.076 -3.527 178 HA ASN 27 HA ASN 27 11.840 -3.800 -3.925 179 1HB ASN 27 1HB ASN 27 10.014 -4.164 -5.528 180 2HB ASN 27 2HB ASN 27 9.789 -2.449 -5.750 181 1HD2 ASN 27 1HD2 ASN 27 12.080 -5.187 -6.359 182 2HD2 ASN 27 2HD2 ASN 27 12.918 -4.286 -7.608 183 H ASN 28 H ASN 28 10.185 -0.595 -4.175 184 HA ASN 28 HA ASN 28 12.600 0.772 -4.963 185 1HB ASN 28 1HB ASN 28 9.888 1.813 -4.101 186 2HB ASN 28 2HB ASN 28 11.257 2.788 -4.667 187 1HD2 ASN 28 1HD2 ASN 28 8.688 0.691 -5.689 188 2HD2 ASN 28 2HD2 ASN 28 9.074 0.793 -7.416 189 H ALA 29 H ALA 29 10.938 0.565 -1.739 190 HA ALA 29 HA ALA 29 12.899 2.234 -0.452 191 1HB ALA 29 2HB ALA 29 10.805 1.702 0.694 192 2HB ALA 29 1HB ALA 29 12.266 1.208 1.579 193 3HB ALA 29 3HB ALA 29 11.287 -0.031 0.749 194 H ALA 30 H ALA 30 12.847 -1.358 -1.108 195 HA ALA 30 HA ALA 30 15.261 -1.772 0.371 196 1HB ALA 30 3HB ALA 30 14.207 -3.297 -2.057 197 2HB ALA 30 1HB ALA 30 15.500 -3.871 -0.994 198 3HB ALA 30 2HB ALA 30 13.859 -3.632 -0.339 199 H ALA 31 H ALA 31 14.853 -0.421 -2.880 200 HA ALA 31 HA ALA 31 17.719 -0.144 -3.329 201 1HB ALA 31 3HB ALA 31 16.046 -0.247 -5.159 202 2HB ALA 31 1HB ALA 31 15.380 1.311 -4.646 203 3HB ALA 31 2HB ALA 31 17.055 1.206 -5.246 204 H ASN 32 H ASN 32 15.421 1.757 -1.504 205 HA ASN 32 HA ASN 32 17.362 4.024 -1.218 206 1HB ASN 32 1HB ASN 32 14.352 3.897 -0.953 207 2HB ASN 32 2HB ASN 32 15.307 5.305 -0.477 208 1HD2 ASN 32 1HD2 ASN 32 14.264 3.418 -3.313 209 2HD2 ASN 32 2HD2 ASN 32 14.729 4.706 -4.440 210 H TRP 33 H TRP 33 16.581 1.444 0.615 211 HA TRP 33 HA TRP 33 17.729 1.641 3.037 212 1HB TRP 33 1HB TRP 33 16.815 3.748 3.594 213 2HB TRP 33 2HB TRP 33 15.232 3.301 2.963 214 HD1 TRP 33 HD1 TRP 33 14.167 4.342 5.059 215 HE1 TRP 33 HE1 TRP 33 13.813 3.515 7.482 216 HE3 TRP 33 HE3 TRP 33 17.159 0.282 4.949 217 HZ2 TRP 33 HZ2 TRP 33 14.816 1.451 9.171 218 HZ3 TRP 33 HZ3 TRP 33 17.540 -1.107 6.998 219 HH2 TRP 33 HH2 TRP 33 16.361 -0.536 9.114 220 H ALA 34 H ALA 34 14.412 1.430 3.465 221 HA ALA 34 HA ALA 34 13.709 -1.319 2.849 222 1HB ALA 34 3HB ALA 34 15.145 -1.617 4.894 223 2HB ALA 34 2HB ALA 34 13.436 -1.979 5.218 224 3HB ALA 34 1HB ALA 34 14.113 -0.455 5.780 225 H THR 35 H THR 35 13.070 1.615 4.838 226 HA THR 35 HA THR 35 10.807 2.134 3.006 227 HB THR 35 HB THR 35 9.431 3.139 4.877 228 HG1 THR 35 HG1 THR 35 9.790 2.270 6.958 229 1HG2 THR 35 2HG2 THR 35 8.897 0.906 3.825 230 2HG2 THR 35 1HG2 THR 35 9.711 0.136 5.195 231 3HG2 THR 35 3HG2 THR 35 8.272 1.129 5.472 232 H GLY 36 H GLY 36 12.999 3.178 2.207 233 1HA GLY 36 2HA GLY 36 11.736 5.671 2.029 234 2HA GLY 36 1HA GLY 36 13.141 5.108 1.174 235 H GLY 37 H GLY 37 15.232 5.275 2.230 236 1HA GLY 37 2HA GLY 37 16.810 6.962 2.382 237 2HA GLY 37 1HA GLY 37 15.811 7.811 3.575 238 H ASN 38 H ASN 38 13.937 7.057 0.886 239 HA ASN 38 HA ASN 38 13.508 9.801 0.256 240 1HB ASN 38 1HB ASN 38 15.499 9.320 -1.251 241 2HB ASN 38 2HB ASN 38 14.578 8.009 -1.971 242 1HD2 ASN 38 1HD2 ASN 38 14.459 8.832 -4.038 243 2HD2 ASN 38 2HD2 ASN 38 13.651 10.347 -4.431 244 H ALA 39 H ALA 39 11.652 9.911 -1.411 245 HA ALA 39 HA ALA 39 9.979 7.427 -1.503 246 1HB ALA 39 1HB ALA 39 9.290 8.924 0.403 247 2HB ALA 39 2HB ALA 39 8.975 10.216 -0.779 248 3HB ALA 39 3HB ALA 39 8.024 8.711 -0.797 249 H GLY 40 H GLY 40 11.344 9.920 -3.277 250 1HA GLY 40 2HA GLY 40 11.081 10.797 -5.357 251 2HA GLY 40 1HA GLY 40 9.372 10.360 -5.293 252 H TRP 41 H TRP 41 10.461 7.474 -4.817 253 HA TRP 41 HA TRP 41 11.726 6.451 -7.134 254 1HB TRP 41 1HB TRP 41 10.676 4.289 -6.458 255 2HB TRP 41 2HB TRP 41 11.584 5.078 -5.219 256 HD1 TRP 41 HD1 TRP 41 7.880 4.382 -6.098 257 HE1 TRP 41 HE1 TRP 41 6.594 4.073 -3.929 258 HE3 TRP 41 HE3 TRP 41 11.666 5.045 -2.803 259 HZ2 TRP 41 HZ2 TRP 41 7.039 4.443 -1.114 260 HZ3 TRP 41 HZ3 TRP 41 11.309 4.657 -0.416 261 HH2 TRP 41 HH2 TRP 41 8.970 4.481 0.504 262 H ASN 42 H ASN 42 8.377 6.308 -6.409 263 HA ASN 42 HA ASN 42 7.605 7.935 -8.602 264 1HB ASN 42 1HB ASN 42 6.148 6.593 -9.871 265 2HB ASN 42 2HB ASN 42 7.641 5.693 -9.788 266 1HD2 ASN 42 1HD2 ASN 42 7.629 3.805 -8.122 267 2HD2 ASN 42 2HD2 ASN 42 6.036 3.161 -7.669 268 H LYS 43 H LYS 43 7.449 7.673 -5.522 269 HA LYS 43 HA LYS 43 6.222 7.050 -3.781 270 1HB LYS 43 1HB LYS 43 3.991 8.449 -5.341 271 2HB LYS 43 2HB LYS 43 3.767 7.834 -3.735 272 1HG LYS 43 1HG LYS 43 5.814 9.934 -4.517 273 2HG LYS 43 2HG LYS 43 4.200 10.173 -3.797 274 1HD LYS 43 1HD LYS 43 6.412 8.570 -2.402 275 2HD LYS 43 2HD LYS 43 6.146 10.312 -2.148 276 1HE LYS 43 1HE LYS 43 3.819 9.854 -1.433 277 2HE LYS 43 2HE LYS 43 4.072 8.137 -1.644 278 1HZ LYS 43 1HZ LYS 43 5.559 9.827 0.261 279 2HZ LYS 43 3HZ LYS 43 4.357 8.795 0.647 280 3HZ LYS 43 2HZ LYS 43 5.773 8.215 0.061 281 H CYS 44 H CYS 44 4.349 5.818 -2.933 282 HA CYS 44 HA CYS 44 2.489 5.506 -4.826 283 1HB CYS 44 1HB CYS 44 3.278 2.897 -3.392 284 2HB CYS 44 2HB CYS 44 1.655 3.157 -4.010 No H/Q in entry = 284 Start of MODEL 8 1 H1 LYS 1 1H LYS 1 18.023 -9.485 -0.449 2 H2 LYS 1 3H LYS 1 17.234 -8.093 -0.741 3 H3 LYS 1 2H LYS 1 18.600 -8.084 0.174 4 HA LYS 1 HA LYS 1 17.554 -9.406 1.869 5 1HB LYS 1 1HB LYS 1 17.299 -6.686 1.544 6 2HB LYS 1 2HB LYS 1 15.638 -7.110 1.538 7 1HG LYS 1 1HG LYS 1 16.287 -6.527 3.762 8 2HG LYS 1 2HG LYS 1 15.933 -8.242 3.789 9 1HD LYS 1 1HD LYS 1 18.333 -8.783 3.850 10 2HD LYS 1 2HD LYS 1 18.747 -7.100 3.543 11 1HE LYS 1 1HE LYS 1 19.099 -7.373 5.849 12 2HE LYS 1 2HE LYS 1 17.556 -6.510 5.715 13 1HZ LYS 1 2HZ LYS 1 16.427 -8.615 6.077 14 2HZ LYS 1 1HZ LYS 1 17.868 -9.417 6.229 15 3HZ LYS 1 3HZ LYS 1 17.410 -8.322 7.322 16 H TYR 2 H TYR 2 14.709 -8.952 2.476 17 HA TYR 2 HA TYR 2 13.430 -10.970 0.688 18 1HB TYR 2 1HB TYR 2 13.435 -11.033 3.718 19 2HB TYR 2 2HB TYR 2 12.829 -12.266 2.628 20 HD1 TYR 2 HD1 TYR 2 14.438 -13.627 1.182 21 HD2 TYR 2 HD2 TYR 2 15.770 -11.027 4.358 22 HE1 TYR 2 HE1 TYR 2 16.635 -14.744 1.175 23 HE2 TYR 2 HE2 TYR 2 18.009 -12.114 4.314 24 HH TYR 2 HH TYR 2 18.729 -14.813 2.050 25 H TYR 3 H TYR 3 12.979 -7.931 1.519 26 HA TYR 3 HA TYR 3 10.395 -7.878 2.803 27 1HB TYR 3 1HB TYR 3 10.604 -5.394 2.356 28 2HB TYR 3 2HB TYR 3 11.718 -6.225 3.449 29 HD1 TYR 3 HD1 TYR 3 13.783 -5.191 3.362 30 HD2 TYR 3 HD2 TYR 3 11.625 -5.929 -0.221 31 HE1 TYR 3 HE1 TYR 3 15.726 -4.295 2.060 32 HE2 TYR 3 HE2 TYR 3 13.567 -5.088 -1.591 33 HH TYR 3 HH TYR 3 16.554 -3.848 -0.076 34 H GLY 4 H GLY 4 10.960 -8.541 -0.419 35 1HA GLY 4 2HA GLY 4 8.211 -7.815 -1.277 36 2HA GLY 4 1HA GLY 4 9.370 -8.773 -2.207 37 H ASN 5 H ASN 5 10.627 -7.775 -3.688 38 HA ASN 5 HA ASN 5 11.958 -5.371 -3.311 39 1HB ASN 5 1HB ASN 5 12.974 -5.868 -5.470 40 2HB ASN 5 2HB ASN 5 12.736 -7.366 -4.606 41 1HD2 ASN 5 1HD2 ASN 5 11.633 -5.418 -7.370 42 2HD2 ASN 5 2HD2 ASN 5 10.775 -6.761 -8.120 43 H GLY 6 H GLY 6 8.859 -4.979 -3.882 44 1HA GLY 6 2HA GLY 6 7.589 -3.186 -4.760 45 2HA GLY 6 1HA GLY 6 8.982 -2.645 -5.707 46 H VAL 7 H VAL 7 8.704 -3.409 -2.131 47 HA VAL 7 HA VAL 7 9.493 -0.835 -1.188 48 HB VAL 7 HB VAL 7 9.057 -3.685 -0.209 49 1HG1 VAL 7 1HG1 VAL 7 10.331 -1.504 1.442 50 2HG1 VAL 7 2HG1 VAL 7 9.590 -3.032 2.053 51 3HG1 VAL 7 3HG1 VAL 7 11.002 -3.115 0.997 52 1HG2 VAL 7 1HG2 VAL 7 7.944 -0.966 0.520 53 2HG2 VAL 7 2HG2 VAL 7 7.118 -2.265 -0.388 54 3HG2 VAL 7 3HG2 VAL 7 7.498 -2.481 1.329 55 H HIS 8 H HIS 8 11.486 -0.345 -0.460 56 HA HIS 8 HA HIS 8 13.646 -2.364 -0.569 57 1HB HIS 8 1HB HIS 8 14.302 0.436 -1.418 58 2HB HIS 8 2HB HIS 8 15.242 -1.043 -1.671 59 HD1 HIS 8 HD1 HIS 8 12.368 1.010 -3.011 60 HD2 HIS 8 HD2 HIS 8 14.263 -2.669 -3.781 61 HE1 HIS 8 HE1 HIS 8 11.366 0.126 -5.201 62 HE2 HIS 8 HE2 HIS 8 12.545 -2.097 -5.662 63 H CYS 9 H CYS 9 14.040 -2.575 1.634 64 HA CYS 9 HA CYS 9 14.317 -0.150 3.341 65 1HB CYS 9 1HB CYS 9 14.655 -3.107 3.981 66 2HB CYS 9 2HB CYS 9 14.847 -1.807 5.127 67 H GLY 10 H GLY 10 16.377 0.084 4.560 68 1HA GLY 10 2HA GLY 10 18.535 0.394 2.709 69 2HA GLY 10 1HA GLY 10 18.932 -0.883 3.897 70 H LYS 11 H LYS 11 20.396 1.452 3.715 71 HA LYS 11 HA LYS 11 19.983 2.922 6.226 72 1HB LYS 11 1HB LYS 11 21.995 3.315 3.979 73 2HB LYS 11 2HB LYS 11 22.017 4.180 5.523 74 1HG LYS 11 1HG LYS 11 22.335 1.993 6.709 75 2HG LYS 11 2HG LYS 11 22.386 1.162 5.152 76 1HD LYS 11 1HD LYS 11 24.628 1.502 5.871 77 2HD LYS 11 2HD LYS 11 24.382 2.562 4.495 78 1HE LYS 11 1HE LYS 11 24.097 4.491 6.012 79 2HE LYS 11 2HE LYS 11 24.256 3.426 7.416 80 1HZ LYS 11 2HZ LYS 11 26.388 3.881 5.392 81 2HZ LYS 11 1HZ LYS 11 26.346 4.525 6.899 82 3HZ LYS 11 3HZ LYS 11 26.544 2.921 6.666 83 H HIS 12 H HIS 12 17.790 3.062 4.769 84 HA HIS 12 HA HIS 12 17.482 5.968 4.322 85 1HB HIS 12 1HB HIS 12 16.419 3.769 2.503 86 2HB HIS 12 2HB HIS 12 16.012 5.492 2.391 87 HD1 HIS 12 HD1 HIS 12 18.222 7.151 1.817 88 HD2 HIS 12 HD2 HIS 12 18.623 2.974 1.303 89 HE1 HIS 12 HE1 HIS 12 20.331 6.783 0.402 90 HE2 HIS 12 HE2 HIS 12 20.565 4.231 0.087 91 H SER 13 H SER 13 14.635 4.405 3.634 92 HA SER 13 HA SER 13 13.608 4.752 6.441 93 1HB SER 13 1HB SER 13 12.383 5.913 3.918 94 2HB SER 13 2HB SER 13 11.790 6.086 5.574 95 HG SER 13 HG SER 13 13.751 7.183 6.096 96 H CYS 14 H CYS 14 13.722 2.497 4.007 97 HA CYS 14 HA CYS 14 12.522 0.722 3.261 98 1HB CYS 14 1HB CYS 14 10.595 1.200 5.539 99 2HB CYS 14 2HB CYS 14 10.454 -0.036 4.340 100 H THR 15 H THR 15 12.391 1.816 1.415 101 HA THR 15 HA THR 15 10.490 3.894 0.875 102 HB THR 15 HB THR 15 11.241 3.681 -1.409 103 HG1 THR 15 HG1 THR 15 12.844 1.518 -0.554 104 1HG2 THR 15 1HG2 THR 15 12.736 4.929 0.089 105 2HG2 THR 15 3HG2 THR 15 13.633 3.410 0.450 106 3HG2 THR 15 2HG2 THR 15 13.630 4.108 -1.178 107 H VAL 16 H VAL 16 9.083 3.652 -1.222 108 HA VAL 16 HA VAL 16 7.085 1.773 -0.236 109 HB VAL 16 HB VAL 16 7.013 4.430 -1.724 110 1HG1 VAL 16 1HG1 VAL 16 4.654 2.601 -1.249 111 2HG1 VAL 16 2HG1 VAL 16 4.497 4.366 -1.409 112 3HG1 VAL 16 3HG1 VAL 16 5.147 3.419 -2.739 113 1HG2 VAL 16 2HG2 VAL 16 7.403 4.357 0.737 114 2HG2 VAL 16 3HG2 VAL 16 5.876 5.157 0.330 115 3HG2 VAL 16 1HG2 VAL 16 5.850 3.503 0.932 116 H ASP 17 H ASP 17 6.951 -0.080 -1.117 117 HA ASP 17 HA ASP 17 5.009 0.408 -3.316 118 1HB ASP 17 1HB ASP 17 6.307 -1.736 -3.641 119 2HB ASP 17 2HB ASP 17 5.665 -2.289 -2.094 120 H TRP 18 H TRP 18 5.612 -0.191 0.108 121 HA TRP 18 HA TRP 18 3.079 -0.980 0.982 122 1HB TRP 18 1HB TRP 18 3.832 -0.415 3.184 123 2HB TRP 18 2HB TRP 18 5.164 -1.089 2.276 124 HD1 TRP 18 HD1 TRP 18 7.341 0.476 1.952 125 HE1 TRP 18 HE1 TRP 18 8.096 2.621 3.079 126 HE3 TRP 18 HE3 TRP 18 2.880 1.959 4.088 127 HZ2 TRP 18 HZ2 TRP 18 6.966 4.778 4.532 128 HZ3 TRP 18 HZ3 TRP 18 2.782 4.114 5.277 129 HH2 TRP 18 HH2 TRP 18 4.784 5.533 5.518 130 H GLY 19 H GLY 19 4.226 2.379 0.711 131 1HA GLY 19 2HA GLY 19 3.007 4.435 0.862 132 2HA GLY 19 1HA GLY 19 1.806 3.549 1.717 133 H THR 20 H THR 20 2.514 2.239 -1.421 134 HA THR 20 HA THR 20 0.352 3.670 -2.840 135 HB THR 20 HB THR 20 1.719 1.035 -3.630 136 HG1 THR 20 HG1 THR 20 2.385 3.654 -4.456 137 1HG2 THR 20 3HG2 THR 20 0.288 3.147 -5.316 138 2HG2 THR 20 2HG2 THR 20 1.093 1.687 -5.925 139 3HG2 THR 20 1HG2 THR 20 -0.342 1.544 -4.906 140 H ALA 21 H ALA 21 0.807 0.534 -1.198 141 HA ALA 21 HA ALA 21 -1.805 -0.496 -1.676 142 1HB ALA 21 3HB ALA 21 0.117 -1.845 -0.892 143 2HB ALA 21 2HB ALA 21 -1.281 -2.046 0.175 144 3HB ALA 21 1HB ALA 21 0.088 -1.014 0.669 145 H ILE 22 H ILE 22 -0.606 1.314 1.257 146 HA ILE 22 HA ILE 22 -3.287 1.596 2.305 147 HB ILE 22 HB ILE 22 -2.316 3.390 3.741 148 1HG1 ILE 22 1HG1 ILE 22 0.443 2.510 2.974 149 2HG1 ILE 22 2HG1 ILE 22 -0.328 3.833 2.127 150 1HG2 ILE 22 1HG2 ILE 22 -2.585 1.041 4.482 151 2HG2 ILE 22 2HG2 ILE 22 -0.985 0.648 3.818 152 3HG2 ILE 22 3HG2 ILE 22 -1.144 1.751 5.194 153 1HD1 ILE 22 2HD1 ILE 22 -0.682 5.009 4.313 154 2HD1 ILE 22 3HD1 ILE 22 0.217 3.701 5.119 155 3HD1 ILE 22 1HD1 ILE 22 1.011 4.738 3.907 156 H GLY 23 H GLY 23 -1.389 3.515 0.016 157 1HA GLY 23 2HA GLY 23 -2.067 5.164 -1.456 158 2HA GLY 23 1HA GLY 23 -2.967 5.875 -0.111 159 H CYS 24 H CYS 24 -3.296 2.882 -2.034 160 HA CYS 24 HA CYS 24 -5.835 3.407 -3.221 161 1HB CYS 24 1HB CYS 24 -4.696 0.689 -2.377 162 2HB CYS 24 2HB CYS 24 -6.101 0.990 -3.430 163 H ILE 25 H ILE 25 -5.397 1.222 -0.400 164 HA ILE 25 HA ILE 25 -8.124 0.920 0.176 165 HB ILE 25 HB ILE 25 -5.640 0.527 1.835 166 1HG1 ILE 25 1HG1 ILE 25 -6.553 -1.796 1.937 167 2HG1 ILE 25 2HG1 ILE 25 -7.908 -1.296 0.915 168 1HG2 ILE 25 2HG2 ILE 25 -8.475 0.328 2.902 169 2HG2 ILE 25 3HG2 ILE 25 -7.080 -0.437 3.675 170 3HG2 ILE 25 1HG2 ILE 25 -7.133 1.310 3.559 171 1HD1 ILE 25 2HD1 ILE 25 -4.933 -1.312 0.133 172 2HD1 ILE 25 3HD1 ILE 25 -6.130 -2.530 -0.299 173 3HD1 ILE 25 1HD1 ILE 25 -6.310 -0.885 -0.938 174 H GLY 26 H GLY 26 -5.952 3.500 1.473 175 1HA GLY 26 2HA GLY 26 -6.425 5.470 2.476 176 2HA GLY 26 1HA GLY 26 -7.778 4.669 3.277 177 H ASN 27 H ASN 27 -7.006 5.754 -0.067 178 HA ASN 27 HA ASN 27 -9.072 7.744 -0.211 179 1HB ASN 27 1HB ASN 27 -7.041 7.801 -1.564 180 2HB ASN 27 2HB ASN 27 -7.445 6.261 -2.316 181 1HD2 ASN 27 1HD2 ASN 27 -8.497 6.422 -4.335 182 2HD2 ASN 27 2HD2 ASN 27 -9.365 7.880 -4.827 183 H ASN 28 H ASN 28 -8.908 4.452 -1.569 184 HA ASN 28 HA ASN 28 -11.457 4.516 -2.869 185 1HB ASN 28 1HB ASN 28 -9.715 2.175 -1.996 186 2HB ASN 28 2HB ASN 28 -11.186 2.021 -2.928 187 1HD2 ASN 28 1HD2 ASN 28 -11.193 3.621 -5.039 188 2HD2 ASN 28 2HD2 ASN 28 -9.714 3.331 -5.939 189 H ALA 29 H ALA 29 -10.529 3.236 0.430 190 HA ALA 29 HA ALA 29 -13.255 2.498 1.032 191 1HB ALA 29 2HB ALA 29 -11.110 3.185 3.064 192 2HB ALA 29 3HB ALA 29 -12.727 2.481 3.291 193 3HB ALA 29 1HB ALA 29 -11.486 1.561 2.399 194 H ALA 30 H ALA 30 -11.459 5.598 1.561 195 HA ALA 30 HA ALA 30 -13.559 6.728 3.065 196 1HB ALA 30 2HB ALA 30 -11.301 7.754 2.912 197 2HB ALA 30 3HB ALA 30 -11.607 8.175 1.207 198 3HB ALA 30 1HB ALA 30 -12.555 8.935 2.508 199 H ALA 31 H ALA 31 -13.368 6.284 -0.408 200 HA ALA 31 HA ALA 31 -15.800 7.789 -1.027 201 1HB ALA 31 3HB ALA 31 -14.439 5.538 -2.567 202 2HB ALA 31 2HB ALA 31 -14.070 7.276 -2.702 203 3HB ALA 31 1HB ALA 31 -15.662 6.677 -3.182 204 H ASN 32 H ASN 32 -15.129 4.373 -0.282 205 HA ASN 32 HA ASN 32 -17.849 3.392 -0.719 206 1HB ASN 32 1HB ASN 32 -15.305 2.197 0.358 207 2HB ASN 32 2HB ASN 32 -16.856 1.365 0.496 208 1HD2 ASN 32 1HD2 ASN 32 -14.437 2.479 -1.810 209 2HD2 ASN 32 2HD2 ASN 32 -15.134 1.591 -3.169 210 H TRP 33 H TRP 33 -16.082 4.364 2.128 211 HA TRP 33 HA TRP 33 -18.061 4.164 4.214 212 1HB TRP 33 1HB TRP 33 -18.161 1.872 3.418 213 2HB TRP 33 2HB TRP 33 -16.407 1.783 3.387 214 HD1 TRP 33 HD1 TRP 33 -16.910 -0.535 4.720 215 HE1 TRP 33 HE1 TRP 33 -17.183 -1.047 7.187 216 HE3 TRP 33 HE3 TRP 33 -17.518 4.177 6.426 217 HZ2 TRP 33 HZ2 TRP 33 -17.620 0.392 9.637 218 HZ3 TRP 33 HZ3 TRP 33 -17.887 4.644 8.856 219 HH2 TRP 33 HH2 TRP 33 -17.948 2.734 10.472 220 H ALA 34 H ALA 34 -15.365 2.439 4.960 221 HA ALA 34 HA ALA 34 -13.403 4.482 5.786 222 1HB ALA 34 2HB ALA 34 -15.068 4.471 7.605 223 2HB ALA 34 3HB ALA 34 -14.934 2.697 7.710 224 3HB ALA 34 1HB ALA 34 -13.548 3.737 8.132 225 H THR 35 H THR 35 -14.448 1.050 5.974 226 HA THR 35 HA THR 35 -12.382 0.380 4.016 227 HB THR 35 HB THR 35 -11.874 -1.824 5.163 228 HG1 THR 35 HG1 THR 35 -13.470 -1.684 6.777 229 1HG2 THR 35 1HG2 THR 35 -10.207 -0.015 5.073 230 2HG2 THR 35 3HG2 THR 35 -10.719 0.514 6.696 231 3HG2 THR 35 2HG2 THR 35 -10.037 -1.093 6.483 232 H GLY 36 H GLY 36 -14.360 0.632 2.720 233 1HA GLY 36 2HA GLY 36 -14.282 -2.103 1.976 234 2HA GLY 36 1HA GLY 36 -14.955 -0.783 1.036 235 H GLY 37 H GLY 37 -17.139 0.025 2.041 236 1HA GLY 37 2HA GLY 37 -19.365 -0.514 1.488 237 2HA GLY 37 1HA GLY 37 -19.130 -2.083 2.273 238 H ASN 38 H ASN 38 -16.675 -1.613 0.003 239 HA ASN 38 HA ASN 38 -17.667 -3.856 -1.517 240 1HB ASN 38 1HB ASN 38 -18.554 -1.793 -2.777 241 2HB ASN 38 2HB ASN 38 -16.903 -1.321 -3.043 242 1HD2 ASN 38 1HD2 ASN 38 -17.311 -1.400 -5.367 243 2HD2 ASN 38 2HD2 ASN 38 -17.423 -2.968 -6.152 244 H ALA 39 H ALA 39 -15.870 -4.430 -3.203 245 HA ALA 39 HA ALA 39 -13.106 -3.620 -2.359 246 1HB ALA 39 1HB ALA 39 -13.939 -6.472 -2.988 247 2HB ALA 39 2HB ALA 39 -12.310 -5.890 -2.535 248 3HB ALA 39 3HB ALA 39 -13.629 -5.796 -1.364 249 H GLY 40 H GLY 40 -15.296 -4.432 -4.987 250 1HA GLY 40 2HA GLY 40 -15.172 -4.108 -7.253 251 2HA GLY 40 1HA GLY 40 -13.435 -4.387 -7.185 252 H TRP 41 H TRP 41 -13.285 -2.039 -5.151 253 HA TRP 41 HA TRP 41 -13.727 0.420 -6.553 254 1HB TRP 41 1HB TRP 41 -12.191 1.342 -4.946 255 2HB TRP 41 2HB TRP 41 -13.291 0.250 -4.157 256 HD1 TRP 41 HD1 TRP 41 -9.585 0.188 -5.375 257 HE1 TRP 41 HE1 TRP 41 -8.138 -0.722 -3.514 258 HE3 TRP 41 HE3 TRP 41 -13.223 -0.975 -1.958 259 HZ2 TRP 41 HZ2 TRP 41 -8.464 -2.106 -1.045 260 HZ3 TRP 41 HZ3 TRP 41 -12.571 -1.814 0.251 261 HH2 TRP 41 HH2 TRP 41 -10.224 -2.508 0.720 262 H ASN 42 H ASN 42 -11.154 -1.716 -6.328 263 HA ASN 42 HA ASN 42 -9.966 -2.176 -8.656 264 1HB ASN 42 1HB ASN 42 -8.151 -0.603 -9.116 265 2HB ASN 42 2HB ASN 42 -9.706 0.136 -9.285 266 1HD2 ASN 42 1HD2 ASN 42 -7.149 -0.279 -6.777 267 2HD2 ASN 42 2HD2 ASN 42 -7.343 1.352 -6.134 268 H LYS 43 H LYS 43 -10.224 -3.006 -5.747 269 HA LYS 43 HA LYS 43 -8.450 -3.063 -3.922 270 1HB LYS 43 1HB LYS 43 -8.594 -5.503 -3.660 271 2HB LYS 43 2HB LYS 43 -10.119 -4.627 -3.819 272 1HG LYS 43 1HG LYS 43 -10.171 -5.334 -6.253 273 2HG LYS 43 2HG LYS 43 -8.712 -6.304 -5.934 274 1HD LYS 43 1HD LYS 43 -10.073 -7.484 -4.111 275 2HD LYS 43 2HD LYS 43 -11.480 -6.551 -4.619 276 1HE LYS 43 1HE LYS 43 -11.670 -8.697 -5.643 277 2HE LYS 43 2HE LYS 43 -11.325 -7.499 -6.886 278 1HZ LYS 43 1HZ LYS 43 -9.285 -9.287 -5.674 279 2HZ LYS 43 3HZ LYS 43 -9.976 -9.535 -7.140 280 3HZ LYS 43 2HZ LYS 43 -9.017 -8.240 -6.879 281 H CYS 44 H CYS 44 -6.491 -2.328 -4.087 282 HA CYS 44 HA CYS 44 -4.916 -3.026 -6.215 283 1HB CYS 44 1HB CYS 44 -4.198 -1.583 -3.622 284 2HB CYS 44 2HB CYS 44 -3.032 -1.786 -4.908 No H/Q in entry = 284 Start of MODEL 9 1 H1 LYS 1 1H LYS 1 18.102 4.839 3.378 2 H2 LYS 1 3H LYS 1 18.516 3.884 4.625 3 H3 LYS 1 2H LYS 1 18.450 3.265 3.097 4 HA LYS 1 HA LYS 1 16.088 3.616 2.997 5 1HB LYS 1 1HB LYS 1 15.416 1.911 4.767 6 2HB LYS 1 2HB LYS 1 16.542 1.457 3.499 7 1HG LYS 1 1HG LYS 1 17.164 0.444 5.595 8 2HG LYS 1 2HG LYS 1 18.426 1.490 5.030 9 1HD LYS 1 1HD LYS 1 17.766 3.195 6.746 10 2HD LYS 1 2HD LYS 1 16.427 2.108 7.250 11 1HE LYS 1 1HE LYS 1 18.052 0.381 7.859 12 2HE LYS 1 2HE LYS 1 19.389 1.372 7.265 13 1HZ LYS 1 3HZ LYS 1 17.623 2.095 9.545 14 2HZ LYS 1 2HZ LYS 1 19.140 1.567 9.674 15 3HZ LYS 1 1HZ LYS 1 18.861 3.013 8.976 16 H TYR 2 H TYR 2 16.182 6.008 3.548 17 HA TYR 2 HA TYR 2 14.660 6.555 6.094 18 1HB TYR 2 1HB TYR 2 16.924 8.222 4.917 19 2HB TYR 2 2HB TYR 2 16.053 8.546 6.390 20 HD1 TYR 2 HD1 TYR 2 18.984 7.108 5.053 21 HD2 TYR 2 HD2 TYR 2 16.039 6.494 8.167 22 HE1 TYR 2 HE1 TYR 2 20.611 5.742 6.318 23 HE2 TYR 2 HE2 TYR 2 17.712 5.160 9.457 24 HH TYR 2 HH TYR 2 21.012 4.589 8.252 25 H TYR 3 H TYR 3 13.947 6.401 3.105 26 HA TYR 3 HA TYR 3 13.224 8.801 1.887 27 1HB TYR 3 1HB TYR 3 13.062 6.787 0.693 28 2HB TYR 3 2HB TYR 3 12.050 6.024 1.926 29 HD1 TYR 3 HD1 TYR 3 11.993 8.587 -0.795 30 HD2 TYR 3 HD2 TYR 3 9.732 6.144 1.919 31 HE1 TYR 3 HE1 TYR 3 9.878 9.192 -1.994 32 HE2 TYR 3 HE2 TYR 3 7.633 6.781 0.806 33 HH TYR 3 HH TYR 3 7.623 8.987 -2.029 34 H GLY 4 H GLY 4 10.994 6.962 4.023 35 1HA GLY 4 2HA GLY 4 9.073 9.260 4.117 36 2HA GLY 4 1HA GLY 4 9.759 8.704 5.615 37 H ASN 5 H ASN 5 7.300 8.475 5.851 38 HA ASN 5 HA ASN 5 5.586 7.198 6.529 39 1HB ASN 5 1HB ASN 5 4.985 7.241 4.200 40 2HB ASN 5 2HB ASN 5 6.048 5.897 3.800 41 1HD2 ASN 5 1HD2 ASN 5 3.076 6.780 5.649 42 2HD2 ASN 5 2HD2 ASN 5 2.457 5.124 5.597 43 H GLY 6 H GLY 6 8.400 5.468 5.868 44 1HA GLY 6 2HA GLY 6 7.741 3.179 7.717 45 2HA GLY 6 1HA GLY 6 9.318 3.917 7.686 46 H VAL 7 H VAL 7 8.458 4.062 4.476 47 HA VAL 7 HA VAL 7 8.856 1.354 3.570 48 HB VAL 7 HB VAL 7 8.315 4.051 2.447 49 1HG1 VAL 7 3HG1 VAL 7 10.201 2.290 0.838 50 2HG1 VAL 7 1HG1 VAL 7 9.371 3.753 0.263 51 3HG1 VAL 7 2HG1 VAL 7 10.593 3.885 1.531 52 1HG2 VAL 7 3HG2 VAL 7 6.846 2.062 2.332 53 2HG2 VAL 7 1HG2 VAL 7 7.225 2.736 0.732 54 3HG2 VAL 7 2HG2 VAL 7 8.067 1.266 1.291 55 H HIS 8 H HIS 8 10.574 0.470 2.623 56 HA HIS 8 HA HIS 8 13.274 1.594 3.094 57 1HB HIS 8 1HB HIS 8 13.825 -0.798 3.964 58 2HB HIS 8 2HB HIS 8 13.235 0.448 5.056 59 HD1 HIS 8 HD1 HIS 8 10.475 0.228 5.682 60 HD2 HIS 8 HD2 HIS 8 12.482 -3.059 3.930 61 HE1 HIS 8 HE1 HIS 8 9.002 -1.784 6.073 62 HE2 HIS 8 HE2 HIS 8 10.221 -3.808 5.081 63 H CYS 9 H CYS 9 14.125 1.653 1.151 64 HA CYS 9 HA CYS 9 13.809 -0.518 -0.814 65 1HB CYS 9 1HB CYS 9 15.281 2.111 -0.786 66 2HB CYS 9 2HB CYS 9 15.564 0.913 -2.034 67 H GLY 10 H GLY 10 15.692 -1.518 -1.761 68 1HA GLY 10 2HA GLY 10 16.719 -3.440 -0.412 69 2HA GLY 10 1HA GLY 10 17.910 -2.214 0.091 70 H LYS 11 H LYS 11 17.551 -1.128 -2.816 71 HA LYS 11 HA LYS 11 18.129 -1.506 -5.017 72 1HB LYS 11 1HB LYS 11 20.513 -2.833 -3.661 73 2HB LYS 11 2HB LYS 11 20.443 -2.388 -5.363 74 1HG LYS 11 1HG LYS 11 20.109 0.013 -4.753 75 2HG LYS 11 2HG LYS 11 20.250 -0.415 -3.055 76 1HD LYS 11 1HD LYS 11 22.346 0.474 -3.803 77 2HD LYS 11 2HD LYS 11 22.544 -1.215 -3.386 78 1HE LYS 11 1HE LYS 11 23.822 -0.826 -5.348 79 2HE LYS 11 2HE LYS 11 22.414 -1.763 -5.863 80 1HZ LYS 11 1HZ LYS 11 22.691 1.178 -6.146 81 2HZ LYS 11 3HZ LYS 11 22.926 0.108 -7.336 82 3HZ LYS 11 2HZ LYS 11 21.434 0.268 -6.716 83 H HIS 12 H HIS 12 16.388 -3.417 -3.835 84 HA HIS 12 HA HIS 12 16.579 -5.442 -6.017 85 1HB HIS 12 1HB HIS 12 15.724 -5.745 -3.146 86 2HB HIS 12 2HB HIS 12 14.961 -6.710 -4.381 87 HD1 HIS 12 HD1 HIS 12 16.606 -8.460 -5.749 88 HD2 HIS 12 HD2 HIS 12 18.249 -6.347 -2.483 89 HE1 HIS 12 HE1 HIS 12 18.805 -9.674 -5.106 90 HE2 HIS 12 HE2 HIS 12 19.778 -8.373 -3.104 91 H SER 13 H SER 13 13.773 -4.834 -4.040 92 HA SER 13 HA SER 13 12.336 -3.529 -6.342 93 1HB SER 13 1HB SER 13 11.304 -5.737 -4.535 94 2HB SER 13 2HB SER 13 10.370 -4.905 -5.801 95 HG SER 13 HG SER 13 11.190 -6.797 -6.648 96 H CYS 14 H CYS 14 13.051 -3.354 -3.023 97 HA CYS 14 HA CYS 14 12.503 -2.103 -1.308 98 1HB CYS 14 1HB CYS 14 10.621 -0.436 -2.998 99 2HB CYS 14 2HB CYS 14 11.382 0.015 -1.503 100 H THR 15 H THR 15 10.881 -1.675 0.264 101 HA THR 15 HA THR 15 8.459 -3.413 0.075 102 HB THR 15 HB THR 15 10.360 -3.416 2.403 103 HG1 THR 15 HG1 THR 15 11.251 -5.345 1.587 104 1HG2 THR 15 3HG2 THR 15 8.347 -5.472 1.440 105 2HG2 THR 15 2HG2 THR 15 9.389 -5.678 2.858 106 3HG2 THR 15 1HG2 THR 15 8.198 -4.402 2.865 107 H VAL 16 H VAL 16 6.887 -2.974 1.497 108 HA VAL 16 HA VAL 16 6.653 -0.197 2.330 109 HB VAL 16 HB VAL 16 4.420 -2.067 3.060 110 1HG1 VAL 16 1HG1 VAL 16 4.293 0.432 3.137 111 2HG1 VAL 16 2HG1 VAL 16 4.598 0.462 1.396 112 3HG1 VAL 16 3HG1 VAL 16 3.116 -0.283 2.049 113 1HG2 VAL 16 1HG2 VAL 16 5.089 -1.648 0.133 114 2HG2 VAL 16 2HG2 VAL 16 5.019 -3.217 0.992 115 3HG2 VAL 16 3HG2 VAL 16 3.557 -2.242 0.780 116 H ASP 17 H ASP 17 5.757 0.446 4.351 117 HA ASP 17 HA ASP 17 6.795 -0.624 6.869 118 1HB ASP 17 1HB ASP 17 6.456 1.834 6.438 119 2HB ASP 17 2HB ASP 17 4.733 1.472 6.185 120 H TRP 18 H TRP 18 3.886 -0.517 5.054 121 HA TRP 18 HA TRP 18 2.360 -2.034 4.607 122 1HB TRP 18 1HB TRP 18 3.389 -3.513 6.985 123 2HB TRP 18 2HB TRP 18 1.707 -3.785 6.516 124 HD1 TRP 18 HD1 TRP 18 5.170 -3.684 4.945 125 HE1 TRP 18 HE1 TRP 18 5.160 -5.224 2.822 126 HE3 TRP 18 HE3 TRP 18 0.222 -4.389 4.630 127 HZ2 TRP 18 HZ2 TRP 18 3.131 -6.398 1.121 128 HZ3 TRP 18 HZ3 TRP 18 -0.809 -5.433 2.606 129 HH2 TRP 18 HH2 TRP 18 0.648 -6.492 0.873 130 H GLY 19 H GLY 19 1.836 -0.908 7.981 131 1HA GLY 19 2HA GLY 19 -0.280 -0.310 8.950 132 2HA GLY 19 1HA GLY 19 -0.900 -1.482 7.763 133 H THR 20 H THR 20 0.731 1.419 6.670 134 HA THR 20 HA THR 20 -1.533 3.052 6.007 135 HB THR 20 HB THR 20 1.045 2.855 4.411 136 HG1 THR 20 HG1 THR 20 0.421 4.418 6.694 137 1HG2 THR 20 2HG2 THR 20 -0.924 5.147 4.799 138 2HG2 THR 20 1HG2 THR 20 0.626 5.237 3.952 139 3HG2 THR 20 3HG2 THR 20 -0.678 4.234 3.287 140 H ALA 21 H ALA 21 -0.092 0.304 4.191 141 HA ALA 21 HA ALA 21 -1.751 0.686 1.830 142 1HB ALA 21 2HB ALA 21 -0.877 -1.475 1.153 143 2HB ALA 21 1HB ALA 21 -0.291 -1.818 2.793 144 3HB ALA 21 3HB ALA 21 0.432 -0.502 1.835 145 H ILE 22 H ILE 22 -2.014 -1.348 4.742 146 HA ILE 22 HA ILE 22 -4.521 -2.580 4.110 147 HB ILE 22 HB ILE 22 -3.643 -1.905 6.957 148 1HG1 ILE 22 1HG1 ILE 22 -2.618 -4.028 5.050 149 2HG1 ILE 22 2HG1 ILE 22 -1.710 -2.863 5.972 150 1HG2 ILE 22 2HG2 ILE 22 -5.941 -2.748 6.682 151 2HG2 ILE 22 3HG2 ILE 22 -5.308 -4.150 5.764 152 3HG2 ILE 22 1HG2 ILE 22 -4.928 -3.947 7.472 153 1HD1 ILE 22 2HD1 ILE 22 -2.373 -4.053 8.111 154 2HD1 ILE 22 3HD1 ILE 22 -3.035 -5.346 7.076 155 3HD1 ILE 22 1HD1 ILE 22 -1.312 -4.937 7.013 156 H GLY 23 H GLY 23 -3.814 0.435 5.810 157 1HA GLY 23 2HA GLY 23 -5.031 2.423 6.024 158 2HA GLY 23 1HA GLY 23 -6.458 1.422 6.288 159 H CYS 24 H CYS 24 -4.330 2.204 3.567 160 HA CYS 24 HA CYS 24 -5.989 3.622 1.870 161 1HB CYS 24 1HB CYS 24 -3.710 3.562 1.448 162 2HB CYS 24 2HB CYS 24 -3.612 1.814 1.471 163 H ILE 25 H ILE 25 -5.466 0.069 1.657 164 HA ILE 25 HA ILE 25 -7.536 -0.651 -0.119 165 HB ILE 25 HB ILE 25 -6.239 -2.182 2.135 166 1HG1 ILE 25 1HG1 ILE 25 -6.043 -2.736 -0.841 167 2HG1 ILE 25 2HG1 ILE 25 -5.067 -1.454 -0.121 168 1HG2 ILE 25 3HG2 ILE 25 -8.228 -3.208 0.068 169 2HG2 ILE 25 1HG2 ILE 25 -7.219 -4.252 1.098 170 3HG2 ILE 25 2HG2 ILE 25 -8.414 -3.239 1.849 171 1HD1 ILE 25 3HD1 ILE 25 -4.118 -3.170 1.474 172 2HD1 ILE 25 1HD1 ILE 25 -5.013 -4.420 0.578 173 3HD1 ILE 25 2HD1 ILE 25 -3.747 -3.475 -0.242 174 H GLY 26 H GLY 26 -7.749 -0.839 3.481 175 1HA GLY 26 2HA GLY 26 -9.578 -1.018 4.872 176 2HA GLY 26 1HA GLY 26 -10.384 -1.802 3.511 177 H ASN 27 H ASN 27 -9.323 1.581 3.797 178 HA ASN 27 HA ASN 27 -11.905 2.750 4.259 179 1HB ASN 27 1HB ASN 27 -9.821 3.896 4.737 180 2HB ASN 27 2HB ASN 27 -9.375 3.911 3.018 181 1HD2 ASN 27 1HD2 ASN 27 -9.983 5.738 1.862 182 2HD2 ASN 27 2HD2 ASN 27 -11.184 6.877 2.431 183 H ASN 28 H ASN 28 -9.990 2.391 1.215 184 HA ASN 28 HA ASN 28 -12.173 3.509 -0.385 185 1HB ASN 28 1HB ASN 28 -9.562 2.172 -1.040 186 2HB ASN 28 2HB ASN 28 -10.674 2.772 -2.275 187 1HD2 ASN 28 1HD2 ASN 28 -8.018 3.583 -0.429 188 2HD2 ASN 28 2HD2 ASN 28 -8.137 5.338 -0.649 189 H ALA 29 H ALA 29 -11.244 0.163 0.427 190 HA ALA 29 HA ALA 29 -12.969 -1.208 -1.365 191 1HB ALA 29 2HB ALA 29 -11.616 -2.628 0.081 192 2HB ALA 29 1HB ALA 29 -13.308 -2.815 0.551 193 3HB ALA 29 3HB ALA 29 -12.225 -1.815 1.544 194 H ALA 30 H ALA 30 -13.702 -0.204 2.010 195 HA ALA 30 HA ALA 30 -16.434 -0.741 1.785 196 1HB ALA 30 2HB ALA 30 -15.046 1.240 3.641 197 2HB ALA 30 3HB ALA 30 -16.667 0.513 3.903 198 3HB ALA 30 1HB ALA 30 -15.224 -0.501 3.914 199 H ALA 31 H ALA 31 -14.792 2.159 0.734 200 HA ALA 31 HA ALA 31 -17.129 3.764 0.184 201 1HB ALA 31 2HB ALA 31 -14.739 4.588 0.246 202 2HB ALA 31 1HB ALA 31 -15.652 5.045 -1.228 203 3HB ALA 31 3HB ALA 31 -14.449 3.757 -1.266 204 H ASN 32 H ASN 32 -15.462 1.303 -1.814 205 HA ASN 32 HA ASN 32 -17.367 1.665 -4.065 206 1HB ASN 32 1HB ASN 32 -14.893 -0.029 -3.632 207 2HB ASN 32 2HB ASN 32 -15.870 -0.070 -5.124 208 1HD2 ASN 32 1HD2 ASN 32 -16.409 2.462 -5.835 209 2HD2 ASN 32 2HD2 ASN 32 -14.894 3.327 -6.067 210 H TRP 33 H TRP 33 -16.706 -0.710 -1.624 211 HA TRP 33 HA TRP 33 -18.776 -2.638 -2.026 212 1HB TRP 33 1HB TRP 33 -17.591 -2.742 -4.245 213 2HB TRP 33 2HB TRP 33 -16.071 -2.975 -3.404 214 HD1 TRP 33 HD1 TRP 33 -15.853 -4.983 -5.132 215 HE1 TRP 33 HE1 TRP 33 -16.676 -7.443 -5.087 216 HE3 TRP 33 HE3 TRP 33 -18.763 -4.774 -1.004 217 HZ2 TRP 33 HZ2 TRP 33 -18.563 -8.999 -3.584 218 HZ3 TRP 33 HZ3 TRP 33 -20.102 -6.766 -0.252 219 HH2 TRP 33 HH2 TRP 33 -19.991 -8.867 -1.525 220 H ALA 34 H ALA 34 -16.160 -4.437 -1.857 221 HA ALA 34 HA ALA 34 -15.394 -4.260 0.993 222 1HB ALA 34 2HB ALA 34 -17.166 -5.955 0.672 223 2HB ALA 34 1HB ALA 34 -15.608 -6.776 0.996 224 3HB ALA 34 3HB ALA 34 -16.256 -6.690 -0.650 225 H THR 35 H THR 35 -14.556 -4.984 -2.376 226 HA THR 35 HA THR 35 -11.973 -3.873 -1.737 227 HB THR 35 HB THR 35 -10.785 -5.532 -3.334 228 HG1 THR 35 HG1 THR 35 -12.846 -7.164 -2.308 229 1HG2 THR 35 1HG2 THR 35 -10.286 -5.187 -0.888 230 2HG2 THR 35 3HG2 THR 35 -11.321 -6.615 -0.575 231 3HG2 THR 35 2HG2 THR 35 -9.838 -6.741 -1.564 232 H GLY 36 H GLY 36 -13.601 -2.183 -2.849 233 1HA GLY 36 2HA GLY 36 -11.675 -1.774 -4.910 234 2HA GLY 36 1HA GLY 36 -12.831 -0.582 -4.370 235 H GLY 37 H GLY 37 -14.896 -2.962 -5.301 236 1HA GLY 37 2HA GLY 37 -15.290 -2.131 -8.056 237 2HA GLY 37 1HA GLY 37 -15.988 -3.541 -7.290 238 H ASN 38 H ASN 38 -12.980 -4.051 -6.596 239 HA ASN 38 HA ASN 38 -11.884 -6.014 -7.083 240 1HB ASN 38 1HB ASN 38 -11.274 -6.851 -9.101 241 2HB ASN 38 2HB ASN 38 -12.891 -6.246 -9.454 242 1HD2 ASN 38 1HD2 ASN 38 -12.896 -4.021 -10.571 243 2HD2 ASN 38 2HD2 ASN 38 -11.575 -3.664 -11.674 244 H ALA 39 H ALA 39 -11.178 -2.770 -8.118 245 HA ALA 39 HA ALA 39 -8.448 -2.950 -6.977 246 1HB ALA 39 1HB ALA 39 -9.046 -2.369 -9.921 247 2HB ALA 39 2HB ALA 39 -7.425 -2.297 -9.183 248 3HB ALA 39 3HB ALA 39 -8.245 -3.844 -9.311 249 H GLY 40 H GLY 40 -11.098 -0.976 -7.384 250 1HA GLY 40 2HA GLY 40 -11.623 1.201 -7.578 251 2HA GLY 40 1HA GLY 40 -10.243 1.301 -8.671 252 H TRP 41 H TRP 41 -9.060 0.622 -5.539 253 HA TRP 41 HA TRP 41 -9.238 3.279 -4.431 254 1HB TRP 41 1HB TRP 41 -7.767 2.427 -2.694 255 2HB TRP 41 2HB TRP 41 -9.146 1.385 -3.019 256 HD1 TRP 41 HD1 TRP 41 -5.417 1.348 -2.942 257 HE1 TRP 41 HE1 TRP 41 -4.695 -1.198 -2.909 258 HE3 TRP 41 HE3 TRP 41 -9.890 -0.718 -3.719 259 HZ2 TRP 41 HZ2 TRP 41 -6.026 -3.778 -3.053 260 HZ3 TRP 41 HZ3 TRP 41 -10.248 -3.152 -3.541 261 HH2 TRP 41 HH2 TRP 41 -8.361 -4.704 -3.202 262 H ASN 42 H ASN 42 -6.670 1.506 -5.927 263 HA ASN 42 HA ASN 42 -5.726 3.292 -7.793 264 1HB ASN 42 1HB ASN 42 -3.675 4.313 -6.932 265 2HB ASN 42 2HB ASN 42 -5.091 4.982 -6.204 266 1HD2 ASN 42 1HD2 ASN 42 -5.556 4.370 -3.941 267 2HD2 ASN 42 2HD2 ASN 42 -4.252 3.821 -2.894 268 H LYS 43 H LYS 43 -5.867 0.391 -7.487 269 HA LYS 43 HA LYS 43 -5.183 -0.172 -5.324 270 1HB LYS 43 1HB LYS 43 -4.886 -2.473 -5.517 271 2HB LYS 43 2HB LYS 43 -6.076 -1.869 -6.650 272 1HG LYS 43 1HG LYS 43 -4.318 -1.989 -8.449 273 2HG LYS 43 2HG LYS 43 -3.246 -2.778 -7.247 274 1HD LYS 43 1HD LYS 43 -4.996 -4.497 -6.826 275 2HD LYS 43 2HD LYS 43 -5.978 -3.839 -8.119 276 1HE LYS 43 1HE LYS 43 -3.117 -4.869 -8.474 277 2HE LYS 43 2HE LYS 43 -4.569 -5.831 -8.768 278 1HZ LYS 43 3HZ LYS 43 -5.185 -4.205 -10.499 279 2HZ LYS 43 2HZ LYS 43 -3.790 -3.390 -10.268 280 3HZ LYS 43 1HZ LYS 43 -3.753 -4.919 -10.797 281 H CYS 44 H CYS 44 -3.872 0.619 -4.005 282 HA CYS 44 HA CYS 44 -1.003 0.156 -3.906 283 1HB CYS 44 1HB CYS 44 -1.184 1.017 -1.620 284 2HB CYS 44 2HB CYS 44 -2.136 2.057 -2.657 No H/Q in entry = 284 Start of MODEL 10 1 H1 LYS 1 3H LYS 1 -18.421 -3.056 1.939 2 H2 LYS 1 2H LYS 1 -18.582 -4.591 2.456 3 H3 LYS 1 1H LYS 1 -17.778 -3.510 3.381 4 HA LYS 1 HA LYS 1 -16.074 -3.220 1.695 5 1HB LYS 1 1HB LYS 1 -14.861 -5.281 2.065 6 2HB LYS 1 2HB LYS 1 -15.633 -4.740 3.520 7 1HG LYS 1 1HG LYS 1 -17.396 -6.444 3.316 8 2HG LYS 1 2HG LYS 1 -16.760 -6.953 1.760 9 1HD LYS 1 1HD LYS 1 -14.609 -7.606 2.878 10 2HD LYS 1 2HD LYS 1 -15.274 -7.073 4.438 11 1HE LYS 1 1HE LYS 1 -17.119 -8.721 4.207 12 2HE LYS 1 2HE LYS 1 -16.465 -9.247 2.680 13 1HZ LYS 1 1HZ LYS 1 -15.051 -9.449 5.291 14 2HZ LYS 1 3HZ LYS 1 -15.742 -10.698 4.508 15 3HZ LYS 1 2HZ LYS 1 -14.450 -9.972 3.858 16 H TYR 2 H TYR 2 -15.308 -5.664 0.192 17 HA TYR 2 HA TYR 2 -15.270 -6.327 -2.009 18 1HB TYR 2 1HB TYR 2 -18.278 -6.201 -1.885 19 2HB TYR 2 2HB TYR 2 -17.292 -7.095 -3.023 20 HD1 TYR 2 HD1 TYR 2 -15.503 -8.740 -1.874 21 HD2 TYR 2 HD2 TYR 2 -19.200 -7.437 -0.094 22 HE1 TYR 2 HE1 TYR 2 -15.472 -10.725 -0.365 23 HE2 TYR 2 HE2 TYR 2 -19.159 -9.440 1.421 24 HH TYR 2 HH TYR 2 -16.579 -11.880 1.235 25 H TYR 3 H TYR 3 -14.847 -3.675 -1.597 26 HA TYR 3 HA TYR 3 -16.265 -1.764 -3.081 27 1HB TYR 3 1HB TYR 3 -13.806 -0.665 -2.873 28 2HB TYR 3 2HB TYR 3 -15.042 -0.675 -1.641 29 HD1 TYR 3 HD1 TYR 3 -14.824 -1.846 0.303 30 HD2 TYR 3 HD2 TYR 3 -12.039 -2.598 -2.863 31 HE1 TYR 3 HE1 TYR 3 -13.405 -3.267 1.882 32 HE2 TYR 3 HE2 TYR 3 -10.778 -4.157 -1.438 33 HH TYR 3 HH TYR 3 -11.674 -4.805 1.974 34 H GLY 4 H GLY 4 -13.592 -3.898 -4.079 35 1HA GLY 4 2HA GLY 4 -13.705 -3.643 -6.830 36 2HA GLY 4 1HA GLY 4 -12.303 -4.155 -5.908 37 H ASN 5 H ASN 5 -12.286 -1.246 -4.724 38 HA ASN 5 HA ASN 5 -10.986 0.152 -7.045 39 1HB ASN 5 1HB ASN 5 -13.138 1.134 -5.144 40 2HB ASN 5 2HB ASN 5 -12.067 2.258 -5.993 41 1HD2 ASN 5 1HD2 ASN 5 -14.663 -0.099 -6.512 42 2HD2 ASN 5 2HD2 ASN 5 -14.935 0.447 -8.172 43 H GLY 6 H GLY 6 -9.407 -1.225 -5.565 44 1HA GLY 6 2HA GLY 6 -7.275 0.407 -4.867 45 2HA GLY 6 1HA GLY 6 -7.411 -1.325 -4.641 46 H VAL 7 H VAL 7 -9.413 1.083 -2.890 47 HA VAL 7 HA VAL 7 -8.446 1.348 -0.490 48 HB VAL 7 HB VAL 7 -10.474 2.243 -1.647 49 1HG1 VAL 7 3HG1 VAL 7 -11.471 0.118 -2.244 50 2HG1 VAL 7 1HG1 VAL 7 -11.828 -0.169 -0.510 51 3HG1 VAL 7 2HG1 VAL 7 -12.574 1.208 -1.377 52 1HG2 VAL 7 1HG2 VAL 7 -9.790 2.330 0.887 53 2HG2 VAL 7 2HG2 VAL 7 -11.396 2.904 0.327 54 3HG2 VAL 7 3HG2 VAL 7 -11.224 1.312 1.129 55 H HIS 8 H HIS 8 -8.708 0.491 1.477 56 HA HIS 8 HA HIS 8 -10.209 -2.067 1.877 57 1HB HIS 8 1HB HIS 8 -7.752 -1.499 3.575 58 2HB HIS 8 2HB HIS 8 -8.700 -2.970 3.467 59 HD1 HIS 8 HD1 HIS 8 -5.944 -1.058 1.695 60 HD2 HIS 8 HD2 HIS 8 -8.491 -4.330 1.035 61 HE1 HIS 8 HE1 HIS 8 -5.179 -2.087 -0.489 62 HE2 HIS 8 HE2 HIS 8 -6.610 -4.219 -0.823 63 H CYS 9 H CYS 9 -12.049 -0.917 2.495 64 HA CYS 9 HA CYS 9 -12.416 1.253 4.089 65 1HB CYS 9 1HB CYS 9 -14.042 -1.289 4.173 66 2HB CYS 9 2HB CYS 9 -14.572 0.279 4.764 67 H GLY 10 H GLY 10 -12.387 1.882 6.166 68 1HA GLY 10 2HA GLY 10 -10.615 1.808 7.784 69 2HA GLY 10 1HA GLY 10 -10.943 0.105 8.106 70 H LYS 11 H LYS 11 -13.916 1.379 7.910 71 HA LYS 11 HA LYS 11 -15.331 2.747 9.035 72 1HB LYS 11 1HB LYS 11 -15.772 2.342 11.368 73 2HB LYS 11 2HB LYS 11 -15.650 0.845 10.456 74 1HG LYS 11 1HG LYS 11 -13.484 0.352 11.470 75 2HG LYS 11 2HG LYS 11 -13.395 1.944 12.197 76 1HD LYS 11 1HD LYS 11 -15.532 -0.130 12.849 77 2HD LYS 11 2HD LYS 11 -14.004 0.028 13.708 78 1HE LYS 11 1HE LYS 11 -14.583 2.343 14.350 79 2HE LYS 11 2HE LYS 11 -16.102 2.235 13.453 80 1HZ LYS 11 3HZ LYS 11 -15.393 0.557 15.800 81 2HZ LYS 11 2HZ LYS 11 -16.424 1.823 15.803 82 3HZ LYS 11 1HZ LYS 11 -16.774 0.458 14.963 83 H HIS 12 H HIS 12 -13.209 4.027 8.129 84 HA HIS 12 HA HIS 12 -12.713 6.217 10.090 85 1HB HIS 12 1HB HIS 12 -11.106 5.254 7.712 86 2HB HIS 12 2HB HIS 12 -10.712 6.641 8.721 87 HD1 HIS 12 HD1 HIS 12 -8.571 4.389 8.500 88 HD2 HIS 12 HD2 HIS 12 -11.551 4.665 11.477 89 HE1 HIS 12 HE1 HIS 12 -7.731 3.031 10.510 90 HE2 HIS 12 HE2 HIS 12 -9.526 3.241 12.333 91 H SER 13 H SER 13 -14.184 7.318 6.554 92 HA SER 13 HA SER 13 -15.272 4.804 7.687 93 1HB SER 13 1HB SER 13 -16.077 6.436 5.284 94 2HB SER 13 2HB SER 13 -16.828 4.925 5.831 95 HG SER 13 HG SER 13 -16.583 7.314 7.357 96 H CYS 14 H CYS 14 -14.325 5.749 4.353 97 HA CYS 14 HA CYS 14 -12.615 3.371 4.017 98 1HB CYS 14 1HB CYS 14 -15.077 2.768 3.613 99 2HB CYS 14 2HB CYS 14 -15.076 3.892 2.266 100 H THR 15 H THR 15 -10.926 3.847 2.779 101 HA THR 15 HA THR 15 -10.783 6.778 2.250 102 HB THR 15 HB THR 15 -8.593 6.404 3.559 103 HG1 THR 15 HG1 THR 15 -8.642 4.563 4.872 104 1HG2 THR 15 3HG2 THR 15 -10.700 7.451 4.526 105 2HG2 THR 15 2HG2 THR 15 -11.210 5.848 5.053 106 3HG2 THR 15 1HG2 THR 15 -9.707 6.563 5.705 107 H VAL 16 H VAL 16 -9.460 3.892 1.071 108 HA VAL 16 HA VAL 16 -6.959 5.149 0.102 109 HB VAL 16 HB VAL 16 -7.625 2.922 1.915 110 1HG1 VAL 16 3HG1 VAL 16 -6.404 1.488 0.333 111 2HG1 VAL 16 1HG1 VAL 16 -4.999 2.613 0.424 112 3HG1 VAL 16 2HG1 VAL 16 -5.563 1.735 1.849 113 1HG2 VAL 16 2HG2 VAL 16 -6.688 5.116 2.581 114 2HG2 VAL 16 3HG2 VAL 16 -5.586 3.784 3.021 115 3HG2 VAL 16 1HG2 VAL 16 -5.228 4.790 1.619 116 H ASP 17 H ASP 17 -5.696 3.195 -1.057 117 HA ASP 17 HA ASP 17 -5.776 1.781 -3.125 118 1HB ASP 17 1HB ASP 17 -7.672 2.461 -4.300 119 2HB ASP 17 2HB ASP 17 -7.308 4.184 -4.133 120 H TRP 18 H TRP 18 -5.297 5.286 -2.738 121 HA TRP 18 HA TRP 18 -2.510 5.390 -3.507 122 1HB TRP 18 1HB TRP 18 -2.473 7.467 -2.325 123 2HB TRP 18 2HB TRP 18 -3.931 7.386 -3.310 124 HD1 TRP 18 HD1 TRP 18 -6.283 7.171 -1.966 125 HE1 TRP 18 HE1 TRP 18 -6.948 7.623 0.446 126 HE3 TRP 18 HE3 TRP 18 -1.626 7.408 0.130 127 HZ2 TRP 18 HZ2 TRP 18 -5.665 8.014 3.005 128 HZ3 TRP 18 HZ3 TRP 18 -1.367 7.644 2.589 129 HH2 TRP 18 HH2 TRP 18 -3.364 7.954 4.029 130 H GLY 19 H GLY 19 -4.078 4.825 -0.337 131 1HA GLY 19 2HA GLY 19 -3.252 3.934 1.663 132 2HA GLY 19 1HA GLY 19 -1.666 4.570 1.193 133 H THR 20 H THR 20 -3.264 2.223 -0.894 134 HA THR 20 HA THR 20 -1.939 -0.140 0.072 135 HB THR 20 HB THR 20 -2.901 0.457 -2.745 136 HG1 THR 20 HG1 THR 20 -4.864 -0.335 -2.012 137 1HG2 THR 20 2HG2 THR 20 -2.639 -2.151 -1.175 138 2HG2 THR 20 1HG2 THR 20 -3.400 -1.983 -2.776 139 3HG2 THR 20 3HG2 THR 20 -1.671 -1.670 -2.568 140 H ALA 21 H ALA 21 -1.083 2.431 -2.268 141 HA ALA 21 HA ALA 21 1.390 1.360 -3.212 142 1HB ALA 21 1HB ALA 21 0.673 4.313 -2.891 143 2HB ALA 21 3HB ALA 21 0.033 3.300 -4.218 144 3HB ALA 21 2HB ALA 21 1.773 3.569 -4.051 145 H ILE 22 H ILE 22 0.644 3.757 -0.554 146 HA ILE 22 HA ILE 22 3.234 3.924 0.511 147 HB ILE 22 HB ILE 22 0.598 4.003 2.022 148 1HG1 ILE 22 1HG1 ILE 22 0.489 5.570 0.106 149 2HG1 ILE 22 2HG1 ILE 22 0.506 6.383 1.620 150 1HG2 ILE 22 2HG2 ILE 22 3.298 5.182 2.733 151 2HG2 ILE 22 3HG2 ILE 22 1.780 5.623 3.566 152 3HG2 ILE 22 1HG2 ILE 22 2.380 3.961 3.627 153 1HD1 ILE 22 2HD1 ILE 22 2.911 6.078 -0.235 154 2HD1 ILE 22 3HD1 ILE 22 1.911 7.529 -0.062 155 3HD1 ILE 22 1HD1 ILE 22 2.897 6.999 1.310 156 H GLY 23 H GLY 23 0.727 1.481 1.264 157 1HA GLY 23 2HA GLY 23 0.884 -0.610 2.275 158 2HA GLY 23 1HA GLY 23 2.213 0.036 3.250 159 H CYS 24 H CYS 24 1.878 -0.542 -0.232 160 HA CYS 24 HA CYS 24 3.576 -2.735 -0.642 161 1HB CYS 24 1HB CYS 24 2.090 -1.869 -2.318 162 2HB CYS 24 2HB CYS 24 2.901 -0.336 -2.392 163 H ILE 25 H ILE 25 4.528 0.689 -1.037 164 HA ILE 25 HA ILE 25 7.347 0.330 -1.111 165 HB ILE 25 HB ILE 25 5.511 2.668 -0.495 166 1HG1 ILE 25 1HG1 ILE 25 6.688 3.672 -2.403 167 2HG1 ILE 25 2HG1 ILE 25 7.758 2.291 -2.493 168 1HG2 ILE 25 3HG2 ILE 25 8.534 2.666 -0.198 169 2HG2 ILE 25 1HG2 ILE 25 7.552 4.128 -0.322 170 3HG2 ILE 25 2HG2 ILE 25 7.351 3.051 1.078 171 1HD1 ILE 25 1HD1 ILE 25 4.767 2.280 -3.101 172 2HD1 ILE 25 2HD1 ILE 25 6.072 2.326 -4.283 173 3HD1 ILE 25 3HD1 ILE 25 5.893 0.886 -3.294 174 H GLY 26 H GLY 26 5.352 1.196 1.790 175 1HA GLY 26 2HA GLY 26 5.757 0.993 4.025 176 2HA GLY 26 1HA GLY 26 7.386 1.462 3.601 177 H ASN 27 H ASN 27 5.508 -1.534 3.066 178 HA ASN 27 HA ASN 27 6.888 -3.157 5.009 179 1HB ASN 27 1HB ASN 27 4.616 -3.666 4.170 180 2HB ASN 27 2HB ASN 27 5.232 -3.893 2.552 181 1HD2 ASN 27 1HD2 ASN 27 5.725 -5.997 2.035 182 2HD2 ASN 27 2HD2 ASN 27 5.990 -7.295 3.213 183 H ASN 28 H ASN 28 7.325 -2.774 1.441 184 HA ASN 28 HA ASN 28 9.492 -4.713 1.473 185 1HB ASN 28 1HB ASN 28 8.426 -2.853 -0.674 186 2HB ASN 28 2HB ASN 28 9.768 -3.987 -0.921 187 1HD2 ASN 28 1HD2 ASN 28 6.376 -3.690 -0.828 188 2HD2 ASN 28 2HD2 ASN 28 6.012 -5.437 -0.936 189 H ALA 29 H ALA 29 9.454 -1.177 1.623 190 HA ALA 29 HA ALA 29 12.239 -0.578 1.554 191 1HB ALA 29 2HB ALA 29 9.994 0.530 3.301 192 2HB ALA 29 1HB ALA 29 10.617 1.197 1.774 193 3HB ALA 29 3HB ALA 29 11.660 1.142 3.222 194 H ALA 30 H ALA 30 10.409 -1.321 4.609 195 HA ALA 30 HA ALA 30 12.905 -1.648 5.934 196 1HB ALA 30 2HB ALA 30 10.762 -1.083 7.091 197 2HB ALA 30 1HB ALA 30 11.591 -2.441 7.847 198 3HB ALA 30 3HB ALA 30 10.183 -2.748 6.833 199 H ALA 31 H ALA 31 11.138 -4.092 4.095 200 HA ALA 31 HA ALA 31 12.791 -6.303 4.964 201 1HB ALA 31 1HB ALA 31 11.837 -7.479 3.064 202 2HB ALA 31 2HB ALA 31 10.563 -6.535 3.860 203 3HB ALA 31 3HB ALA 31 11.290 -5.964 2.334 204 H ASN 32 H ASN 32 13.418 -3.648 2.808 205 HA ASN 32 HA ASN 32 15.921 -4.925 1.792 206 1HB ASN 32 1HB ASN 32 15.740 -3.863 -0.175 207 2HB ASN 32 2HB ASN 32 14.110 -4.412 0.201 208 1HD2 ASN 32 2HD2 ASN 32 12.907 -3.080 -0.950 209 2HD2 ASN 32 1HD2 ASN 32 13.000 -1.322 -0.949 210 H TRP 33 H TRP 33 14.913 -2.281 3.692 211 HA TRP 33 HA TRP 33 16.961 -0.966 4.808 212 1HB TRP 33 1HB TRP 33 18.280 -0.861 2.810 213 2HB TRP 33 2HB TRP 33 16.826 -0.386 1.888 214 HD1 TRP 33 HD1 TRP 33 17.945 1.574 0.818 215 HE1 TRP 33 HE1 TRP 33 18.804 3.909 1.624 216 HE3 TRP 33 HE3 TRP 33 17.050 1.033 5.720 217 HZ2 TRP 33 HZ2 TRP 33 19.191 5.241 4.164 218 HZ3 TRP 33 HZ3 TRP 33 17.594 2.826 7.372 219 HH2 TRP 33 HH2 TRP 33 18.671 4.947 6.574 220 H ALA 34 H ALA 34 15.620 1.126 2.519 221 HA ALA 34 HA ALA 34 13.274 2.034 4.086 222 1HB ALA 34 1HB ALA 34 15.221 3.199 4.943 223 2HB ALA 34 3HB ALA 34 14.223 4.313 4.004 224 3HB ALA 34 2HB ALA 34 15.708 3.673 3.293 225 H THR 35 H THR 35 14.097 0.871 1.326 226 HA THR 35 HA THR 35 13.219 0.878 -0.846 227 HB THR 35 HB THR 35 12.680 2.801 -2.163 228 HG1 THR 35 HG1 THR 35 12.772 4.232 0.216 229 1HG2 THR 35 2HG2 THR 35 10.956 1.501 -0.816 230 2HG2 THR 35 1HG2 THR 35 10.951 2.871 0.318 231 3HG2 THR 35 3HG2 THR 35 10.520 3.132 -1.357 232 H GLY 36 H GLY 36 15.525 0.100 -0.538 233 1HA GLY 36 2HA GLY 36 17.754 1.797 -1.268 234 2HA GLY 36 1HA GLY 36 16.979 1.266 -2.722 235 H GLY 37 H GLY 37 17.130 -1.091 -0.031 236 1HA GLY 37 2HA GLY 37 17.836 -3.327 -0.296 237 2HA GLY 37 1HA GLY 37 19.247 -2.659 -1.086 238 H ASN 38 H ASN 38 15.944 -2.315 -2.281 239 HA ASN 38 HA ASN 38 16.695 -2.956 -4.962 240 1HB ASN 38 1HB ASN 38 15.241 -4.871 -5.348 241 2HB ASN 38 2HB ASN 38 16.344 -5.279 -4.067 242 1HD2 ASN 38 1HD2 ASN 38 13.043 -5.233 -4.987 243 2HD2 ASN 38 2HD2 ASN 38 12.434 -5.600 -3.375 244 H ALA 39 H ALA 39 14.727 -2.791 -6.423 245 HA ALA 39 HA ALA 39 12.487 -1.126 -5.328 246 1HB ALA 39 2HB ALA 39 13.817 -0.746 -8.010 247 2HB ALA 39 1HB ALA 39 14.046 0.287 -6.577 248 3HB ALA 39 3HB ALA 39 12.458 0.201 -7.349 249 H GLY 40 H GLY 40 13.429 -3.785 -7.397 250 1HA GLY 40 2HA GLY 40 12.281 -5.338 -8.614 251 2HA GLY 40 1HA GLY 40 10.941 -4.185 -8.757 252 H TRP 41 H TRP 41 10.722 -4.000 -5.787 253 HA TRP 41 HA TRP 41 9.802 -6.448 -4.596 254 1HB TRP 41 1HB TRP 41 8.774 -5.009 -2.957 255 2HB TRP 41 2HB TRP 41 10.378 -4.453 -3.323 256 HD1 TRP 41 HD1 TRP 41 6.734 -3.480 -4.000 257 HE1 TRP 41 HE1 TRP 41 6.586 -0.913 -4.279 258 HE3 TRP 41 HE3 TRP 41 11.610 -2.314 -3.212 259 HZ2 TRP 41 HZ2 TRP 41 8.374 1.309 -4.279 260 HZ3 TRP 41 HZ3 TRP 41 12.254 0.039 -2.966 261 HH2 TRP 41 HH2 TRP 41 10.672 1.894 -3.605 262 H ASN 42 H ASN 42 7.932 -3.845 -5.745 263 HA ASN 42 HA ASN 42 6.452 -5.235 -7.840 264 1HB ASN 42 1HB ASN 42 4.894 -3.669 -5.721 265 2HB ASN 42 2HB ASN 42 4.214 -4.561 -7.064 266 1HD2 ASN 42 2HD2 ASN 42 4.969 -4.724 -3.707 267 2HD2 ASN 42 1HD2 ASN 42 4.824 -6.470 -3.574 268 H LYS 43 H LYS 43 8.417 -2.842 -7.075 269 HA LYS 43 HA LYS 43 8.875 -0.661 -7.446 270 1HB LYS 43 1HB LYS 43 6.537 -0.581 -9.360 271 2HB LYS 43 2HB LYS 43 7.956 0.463 -9.374 272 1HG LYS 43 1HG LYS 43 7.994 -2.518 -10.023 273 2HG LYS 43 2HG LYS 43 7.812 -1.215 -11.177 274 1HD LYS 43 1HD LYS 43 10.227 -1.427 -9.289 275 2HD LYS 43 2HD LYS 43 10.120 -2.240 -10.860 276 1HE LYS 43 1HE LYS 43 9.728 -0.002 -11.950 277 2HE LYS 43 2HE LYS 43 9.977 0.777 -10.386 278 1HZ LYS 43 1HZ LYS 43 11.990 -0.899 -11.792 279 2HZ LYS 43 3HZ LYS 43 12.006 0.738 -11.716 280 3HZ LYS 43 2HZ LYS 43 12.223 -0.147 -10.365 281 H CYS 44 H CYS 44 5.651 -1.386 -6.702 282 HA CYS 44 HA CYS 44 4.161 -0.266 -7.793 283 1HB CYS 44 1HB CYS 44 3.829 0.634 -4.886 284 2HB CYS 44 2HB CYS 44 2.529 0.590 -6.086 No H/Q in entry = 284
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