NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9626 | 1ohn | 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 -17.084 6.529 -4.041 2 H2 LYS 1 2H LYS 1 -16.311 6.546 -5.493 3 H3 LYS 1 1H LYS 1 -17.751 5.786 -5.306 4 HA LYS 1 HA LYS 1 -16.847 4.134 -3.894 5 1HB LYS 1 1HB LYS 1 -16.796 3.740 -6.315 6 2HB LYS 1 2HB LYS 1 -15.188 4.395 -6.429 7 1HG LYS 1 1HG LYS 1 -15.095 1.989 -6.447 8 2HG LYS 1 2HG LYS 1 -14.318 2.594 -4.987 9 1HD LYS 1 1HD LYS 1 -15.598 0.607 -4.491 10 2HD LYS 1 2HD LYS 1 -16.293 1.972 -3.652 11 1HE LYS 1 1HE LYS 1 -18.048 2.137 -5.429 12 2HE LYS 1 2HE LYS 1 -17.297 0.774 -6.281 13 1HZ LYS 1 2HZ LYS 1 -18.523 0.638 -3.561 14 2HZ LYS 1 1HZ LYS 1 -19.182 0.057 -4.921 15 3HZ LYS 1 3HZ LYS 1 -17.840 -0.620 -4.350 16 H TYR 2 H TYR 2 -14.168 6.435 -4.757 17 HA TYR 2 HA TYR 2 -12.500 5.152 -2.656 18 1HB TYR 2 1HB TYR 2 -11.822 6.727 -5.139 19 2HB TYR 2 2HB TYR 2 -10.659 6.046 -4.002 20 HD1 TYR 2 HD1 TYR 2 -12.748 5.346 -6.910 21 HD2 TYR 2 HD2 TYR 2 -10.529 3.568 -3.675 22 HE1 TYR 2 HE1 TYR 2 -12.861 3.136 -8.055 23 HE2 TYR 2 HE2 TYR 2 -10.634 1.358 -4.833 24 HH TYR 2 HH TYR 2 -12.332 0.927 -7.935 25 H TYR 3 H TYR 3 -14.432 7.690 -2.444 26 HA TYR 3 HA TYR 3 -12.642 9.907 -2.442 27 1HB TYR 3 1HB TYR 3 -14.560 11.236 -1.972 28 2HB TYR 3 2HB TYR 3 -14.973 9.984 -3.122 29 HD1 TYR 3 HD1 TYR 3 -15.243 10.899 0.537 30 HD2 TYR 3 HD2 TYR 3 -16.902 8.643 -2.749 31 HE1 TYR 3 HE1 TYR 3 -17.113 10.223 1.986 32 HE2 TYR 3 HE2 TYR 3 -18.827 8.001 -1.278 33 HH TYR 3 HH TYR 3 -19.138 9.129 2.089 34 H GLY 4 H GLY 4 -13.312 7.878 0.265 35 1HA GLY 4 2HA GLY 4 -13.882 9.483 2.368 36 2HA GLY 4 1HA GLY 4 -12.150 9.821 2.190 37 H ASN 5 H ASN 5 -13.506 8.781 4.453 38 HA ASN 5 HA ASN 5 -11.403 7.343 5.437 39 1HB ASN 5 1HB ASN 5 -12.993 8.592 6.815 40 2HB ASN 5 2HB ASN 5 -14.271 7.433 6.462 41 1HD2 ASN 5 1HD2 ASN 5 -11.040 7.731 8.039 42 2HD2 ASN 5 2HD2 ASN 5 -11.360 6.433 9.183 43 H GLY 6 H GLY 6 -14.558 5.693 5.001 44 1HA GLY 6 2HA GLY 6 -14.641 3.338 5.752 45 2HA GLY 6 1HA GLY 6 -13.099 3.024 4.971 46 H VAL 7 H VAL 7 -14.820 4.904 2.892 47 HA VAL 7 HA VAL 7 -16.960 3.387 2.017 48 HB VAL 7 HB VAL 7 -16.864 5.695 1.600 49 1HG1 VAL 7 1HG1 VAL 7 -14.448 6.067 1.258 50 2HG1 VAL 7 2HG1 VAL 7 -14.575 5.329 -0.364 51 3HG1 VAL 7 3HG1 VAL 7 -15.432 6.842 0.034 52 1HG2 VAL 7 1HG2 VAL 7 -18.160 4.332 -0.013 53 2HG2 VAL 7 2HG2 VAL 7 -17.555 5.851 -0.713 54 3HG2 VAL 7 3HG2 VAL 7 -16.769 4.297 -1.101 55 H HIS 8 H HIS 8 -13.863 3.502 0.359 56 HA HIS 8 HA HIS 8 -14.258 1.681 -1.743 57 1HB HIS 8 1HB HIS 8 -11.644 1.471 -1.579 58 2HB HIS 8 2HB HIS 8 -12.402 3.008 -1.976 59 HD1 HIS 8 HD1 HIS 8 -11.855 1.505 1.488 60 HD2 HIS 8 HD2 HIS 8 -11.404 5.008 -0.736 61 HE1 HIS 8 HE1 HIS 8 -11.523 3.418 3.188 62 HE2 HIS 8 HE2 HIS 8 -11.144 5.533 1.795 63 H CYS 9 H CYS 9 -15.263 -0.259 -1.204 64 HA CYS 9 HA CYS 9 -13.663 -2.160 0.448 65 1HB CYS 9 1HB CYS 9 -15.545 -0.923 1.712 66 2HB CYS 9 2HB CYS 9 -16.641 -1.997 0.830 67 H GLY 10 H GLY 10 -14.212 -4.252 -2.377 68 1HA GLY 10 2HA GLY 10 -12.285 -2.340 -1.176 69 2HA GLY 10 1HA GLY 10 -11.962 -3.532 -2.424 70 H LYS 11 H LYS 11 -11.622 -5.710 -1.801 71 HA LYS 11 HA LYS 11 -10.622 -7.425 -0.663 72 1HB LYS 11 1HB LYS 11 -9.321 -5.035 0.736 73 2HB LYS 11 2HB LYS 11 -8.886 -6.698 1.069 74 1HG LYS 11 1HG LYS 11 -7.307 -5.887 -0.434 75 2HG LYS 11 2HG LYS 11 -8.300 -7.083 -1.282 76 1HD LYS 11 1HD LYS 11 -9.464 -5.301 -2.496 77 2HD LYS 11 2HD LYS 11 -8.556 -4.072 -1.573 78 1HE LYS 11 1HE LYS 11 -6.437 -4.959 -2.523 79 2HE LYS 11 2HE LYS 11 -7.325 -6.229 -3.349 80 1HZ LYS 11 2HZ LYS 11 -7.677 -3.324 -3.863 81 2HZ LYS 11 1HZ LYS 11 -6.837 -4.333 -4.827 82 3HZ LYS 11 3HZ LYS 11 -8.439 -4.511 -4.682 83 H HIS 12 H HIS 12 -13.146 -6.138 0.639 84 HA HIS 12 HA HIS 12 -14.635 -6.511 2.281 85 1HB HIS 12 1HB HIS 12 -13.084 -9.014 3.054 86 2HB HIS 12 2HB HIS 12 -14.777 -8.659 3.354 87 HD1 HIS 12 HD1 HIS 12 -16.360 -8.554 0.997 88 HD2 HIS 12 HD2 HIS 12 -12.491 -10.230 0.852 89 HE1 HIS 12 HE1 HIS 12 -16.259 -9.926 -1.155 90 HE2 HIS 12 HE2 HIS 12 -13.880 -10.949 -1.258 91 H SER 13 H SER 13 -11.355 -6.381 3.389 92 HA SER 13 HA SER 13 -11.895 -5.534 6.132 93 1HB SER 13 1HB SER 13 -9.466 -4.847 6.017 94 2HB SER 13 2HB SER 13 -9.740 -6.525 5.566 95 HG SER 13 HG SER 13 -8.394 -5.504 4.032 96 H CYS 14 H CYS 14 -12.297 -4.052 3.125 97 HA CYS 14 HA CYS 14 -12.631 -2.002 2.321 98 1HB CYS 14 1HB CYS 14 -13.186 -1.037 5.127 99 2HB CYS 14 2HB CYS 14 -13.676 -0.294 3.629 100 H THR 15 H THR 15 -10.618 -2.057 1.632 101 HA THR 15 HA THR 15 -8.293 -2.023 2.873 102 HB THR 15 HB THR 15 -8.864 -2.764 0.603 103 HG1 THR 15 HG1 THR 15 -6.484 -1.364 1.006 104 1HG2 THR 15 3HG2 THR 15 -9.776 -0.620 -0.283 105 2HG2 THR 15 2HG2 THR 15 -8.124 0.052 -0.285 106 3HG2 THR 15 1HG2 THR 15 -8.528 -1.333 -1.323 107 H VAL 16 H VAL 16 -9.780 0.887 2.968 108 HA VAL 16 HA VAL 16 -9.267 3.058 3.373 109 HB VAL 16 HB VAL 16 -6.445 2.153 3.945 110 1HG1 VAL 16 3HG1 VAL 16 -8.009 4.634 4.808 111 2HG1 VAL 16 1HG1 VAL 16 -6.472 4.102 5.514 112 3HG1 VAL 16 2HG1 VAL 16 -6.535 4.592 3.822 113 1HG2 VAL 16 1HG2 VAL 16 -8.872 2.409 5.788 114 2HG2 VAL 16 2HG2 VAL 16 -8.026 0.906 5.364 115 3HG2 VAL 16 3HG2 VAL 16 -7.195 2.131 6.324 116 H ASP 17 H ASP 17 -8.390 5.097 2.340 117 HA ASP 17 HA ASP 17 -8.154 4.886 -0.412 118 1HB ASP 17 1HB ASP 17 -7.969 7.284 -0.279 119 2HB ASP 17 2HB ASP 17 -9.151 6.717 0.872 120 H TRP 18 H TRP 18 -5.626 4.459 1.853 121 HA TRP 18 HA TRP 18 -3.402 5.129 0.048 122 1HB TRP 18 1HB TRP 18 -2.017 4.513 1.861 123 2HB TRP 18 2HB TRP 18 -3.264 5.625 2.375 124 HD1 TRP 18 HD1 TRP 18 -3.707 1.766 2.183 125 HE1 TRP 18 HE1 TRP 18 -4.187 0.860 4.439 126 HE3 TRP 18 HE3 TRP 18 -3.035 6.073 4.945 127 HZ2 TRP 18 HZ2 TRP 18 -4.119 1.757 7.193 128 HZ3 TRP 18 HZ3 TRP 18 -3.298 5.981 7.395 129 HH2 TRP 18 HH2 TRP 18 -3.778 3.821 8.544 130 H GLY 19 H GLY 19 -5.472 2.589 0.110 131 1HA GLY 19 2HA GLY 19 -5.435 0.551 -1.097 132 2HA GLY 19 1HA GLY 19 -4.646 0.185 0.433 133 H THR 20 H THR 20 -3.923 1.130 -2.906 134 HA THR 20 HA THR 20 -2.127 -1.078 -3.249 135 HB THR 20 HB THR 20 -3.478 -0.059 -5.083 136 HG1 THR 20 HG1 THR 20 -1.777 -1.378 -5.636 137 1HG2 THR 20 1HG2 THR 20 -3.000 2.361 -4.627 138 2HG2 THR 20 3HG2 THR 20 -1.324 2.106 -5.191 139 3HG2 THR 20 2HG2 THR 20 -2.684 1.891 -6.291 140 H ALA 21 H ALA 21 -1.358 2.223 -2.292 141 HA ALA 21 HA ALA 21 1.490 2.027 -2.775 142 1HB ALA 21 2HB ALA 21 0.289 4.166 -2.525 143 2HB ALA 21 1HB ALA 21 1.632 4.011 -1.401 144 3HB ALA 21 3HB ALA 21 -0.028 3.806 -0.814 145 H ILE 22 H ILE 22 -0.518 1.588 0.140 146 HA ILE 22 HA ILE 22 1.578 0.541 1.818 147 HB ILE 22 HB ILE 22 -1.410 0.174 2.051 148 1HG1 ILE 22 1HG1 ILE 22 -0.918 2.487 2.243 149 2HG1 ILE 22 2HG1 ILE 22 -1.184 1.870 3.874 150 1HG2 ILE 22 3HG2 ILE 22 0.765 -0.426 4.070 151 2HG2 ILE 22 1HG2 ILE 22 -0.982 -0.366 4.428 152 3HG2 ILE 22 2HG2 ILE 22 -0.358 -1.582 3.327 153 1HD1 ILE 22 3HD1 ILE 22 1.263 1.850 4.262 154 2HD1 ILE 22 1HD1 ILE 22 1.500 2.630 2.663 155 3HD1 ILE 22 2HD1 ILE 22 0.588 3.448 3.957 156 H GLY 23 H GLY 23 -0.641 -1.103 -0.494 157 1HA GLY 23 2HA GLY 23 -0.359 -3.134 -1.592 158 2HA GLY 23 1HA GLY 23 0.123 -3.781 -0.033 159 H ASN 24 H ASN 24 1.596 -1.494 -2.397 160 HA ASN 24 HA ASN 24 3.769 -3.150 -3.206 161 1HB ASN 24 1HB ASN 24 2.879 -1.141 -4.396 162 2HB ASN 24 2HB ASN 24 3.599 -0.105 -3.159 163 1HD2 ASN 24 1HD2 ASN 24 4.197 -1.878 -6.079 164 2HD2 ASN 24 2HD2 ASN 24 5.925 -1.544 -6.136 165 H ILE 25 H ILE 25 3.653 -0.679 -0.644 166 HA ILE 25 HA ILE 25 6.286 -0.849 0.377 167 HB ILE 25 HB ILE 25 3.625 -0.083 1.546 168 1HG1 ILE 25 1HG1 ILE 25 6.149 1.552 1.198 169 2HG1 ILE 25 2HG1 ILE 25 5.028 1.333 -0.156 170 1HG2 ILE 25 1HG2 ILE 25 6.311 -0.137 3.029 171 2HG2 ILE 25 2HG2 ILE 25 4.870 0.757 3.583 172 3HG2 ILE 25 3HG2 ILE 25 4.799 -0.978 3.475 173 1HD1 ILE 25 3HD1 ILE 25 3.199 2.313 1.241 174 2HD1 ILE 25 1HD1 ILE 25 4.417 2.667 2.491 175 3HD1 ILE 25 2HD1 ILE 25 4.544 3.441 0.922 176 H GLY 26 H GLY 26 3.390 -2.673 1.568 177 1HA GLY 26 2HA GLY 26 3.261 -4.693 2.708 178 2HA GLY 26 1HA GLY 26 4.812 -4.294 3.430 179 H ASN 27 H ASN 27 4.045 -4.917 -0.010 180 HA ASN 27 HA ASN 27 5.056 -7.547 -0.200 181 1HB ASN 27 1HB ASN 27 3.638 -6.539 -1.891 182 2HB ASN 27 2HB ASN 27 4.915 -5.384 -2.337 183 1HD2 ASN 27 1HD2 ASN 27 4.101 -8.895 -2.330 184 2HD2 ASN 27 2HD2 ASN 27 5.225 -9.242 -3.639 185 H ASN 28 H ASN 28 6.771 -4.432 -0.883 186 HA ASN 28 HA ASN 28 9.310 -5.857 -1.322 187 1HB ASN 28 1HB ASN 28 8.560 -2.912 -1.206 188 2HB ASN 28 2HB ASN 28 10.212 -3.499 -1.467 189 1HD2 ASN 28 1HD2 ASN 28 7.072 -3.014 -3.009 190 2HD2 ASN 28 2HD2 ASN 28 7.627 -3.634 -4.569 191 H ALA 29 H ALA 29 7.831 -4.383 1.528 192 HA ALA 29 HA ALA 29 10.134 -4.464 3.206 193 1HB ALA 29 3HB ALA 29 8.011 -3.439 3.899 194 2HB ALA 29 1HB ALA 29 7.224 -5.025 3.906 195 3HB ALA 29 2HB ALA 29 8.528 -4.678 5.051 196 H ALA 30 H ALA 30 7.786 -7.053 2.441 197 HA ALA 30 HA ALA 30 9.165 -9.113 3.896 198 1HB ALA 30 3HB ALA 30 7.226 -9.263 1.538 199 2HB ALA 30 1HB ALA 30 7.700 -10.629 2.564 200 3HB ALA 30 2HB ALA 30 6.805 -9.290 3.280 201 H ALA 31 H ALA 31 9.372 -8.036 0.482 202 HA ALA 31 HA ALA 31 11.081 -10.224 -0.308 203 1HB ALA 31 2HB ALA 31 9.522 -9.011 -1.812 204 2HB ALA 31 3HB ALA 31 10.602 -7.596 -1.746 205 3HB ALA 31 1HB ALA 31 11.180 -9.124 -2.438 206 H ASN 32 H ASN 32 11.854 -6.839 0.609 207 HA ASN 32 HA ASN 32 14.745 -7.371 0.059 208 1HB ASN 32 1HB ASN 32 13.451 -6.070 -1.657 209 2HB ASN 32 2HB ASN 32 13.120 -4.845 -0.435 210 1HD2 ASN 32 1HD2 ASN 32 16.015 -6.628 -1.712 211 2HD2 ASN 32 2HD2 ASN 32 17.000 -5.183 -1.775 212 H TRP 33 H TRP 33 12.596 -6.163 2.666 213 HA TRP 33 HA TRP 33 14.592 -4.327 3.647 214 1HB TRP 33 1HB TRP 33 11.899 -4.858 4.351 215 2HB TRP 33 2HB TRP 33 12.889 -5.050 5.809 216 HD1 TRP 33 HD1 TRP 33 13.828 -2.845 6.845 217 HE1 TRP 33 HE1 TRP 33 13.780 -0.353 6.188 218 HE3 TRP 33 HE3 TRP 33 11.734 -3.253 2.198 219 HZ2 TRP 33 HZ2 TRP 33 12.895 1.245 3.988 220 HZ3 TRP 33 HZ3 TRP 33 11.225 -1.212 0.863 221 HH2 TRP 33 HH2 TRP 33 11.815 1.062 1.751 222 H ALA 34 H ALA 34 14.779 -7.667 3.687 223 HA ALA 34 HA ALA 34 16.302 -8.123 6.052 224 1HB ALA 34 2HB ALA 34 17.307 -9.961 4.744 225 2HB ALA 34 3HB ALA 34 15.539 -9.951 4.677 226 3HB ALA 34 1HB ALA 34 16.485 -9.353 3.283 227 H THR 35 H THR 35 17.053 -6.481 3.024 228 HA THR 35 HA THR 35 19.919 -6.123 3.619 229 HB THR 35 HB THR 35 20.023 -4.895 1.563 230 HG1 THR 35 HG1 THR 35 17.205 -5.130 1.377 231 1HG2 THR 35 2HG2 THR 35 19.920 -7.339 1.260 232 2HG2 THR 35 1HG2 THR 35 18.148 -7.237 1.066 233 3HG2 THR 35 3HG2 THR 35 19.241 -6.457 -0.105 234 H GLY 36 H GLY 36 17.253 -4.719 4.935 235 1HA GLY 36 2HA GLY 36 18.460 -2.083 5.423 236 2HA GLY 36 1HA GLY 36 16.925 -2.670 6.051 237 H GLY 37 H GLY 37 16.562 -3.374 2.916 238 1HA GLY 37 2HA GLY 37 14.990 -0.960 2.252 239 2HA GLY 37 1HA GLY 37 15.091 -2.461 1.326 240 H ASN 38 H ASN 38 17.792 -2.752 0.888 241 HA ASN 38 HA ASN 38 19.246 -0.515 0.057 242 1HB ASN 38 1HB ASN 38 20.204 -2.718 0.525 243 2HB ASN 38 2HB ASN 38 19.341 -3.428 -0.839 244 1HD2 ASN 38 1HD2 ASN 38 20.611 -3.697 -2.672 245 2HD2 ASN 38 2HD2 ASN 38 21.982 -2.646 -3.041 246 H ALA 39 H ALA 39 16.826 -2.369 -1.741 247 HA ALA 39 HA ALA 39 17.014 -0.452 -4.028 248 1HB ALA 39 2HB ALA 39 15.580 -3.149 -3.812 249 2HB ALA 39 3HB ALA 39 15.531 -2.075 -5.201 250 3HB ALA 39 1HB ALA 39 17.076 -2.802 -4.690 251 H GLY 40 H GLY 40 14.675 -2.004 -1.839 252 1HA GLY 40 2HA GLY 40 13.301 0.550 -1.337 253 2HA GLY 40 1HA GLY 40 13.097 -0.969 -0.490 254 H TRP 41 H TRP 41 10.871 0.341 -0.873 255 HA TRP 41 HA TRP 41 9.176 -1.055 -2.826 256 1HB TRP 41 1HB TRP 41 7.369 0.138 -1.750 257 2HB TRP 41 2HB TRP 41 8.374 -0.744 -0.620 258 HD1 TRP 41 HD1 TRP 41 8.417 2.858 -2.008 259 HE1 TRP 41 HE1 TRP 41 8.860 4.464 -0.162 260 HE3 TRP 41 HE3 TRP 41 8.678 -0.495 1.869 261 HZ2 TRP 41 HZ2 TRP 41 9.243 4.383 2.732 262 HZ3 TRP 41 HZ3 TRP 41 9.021 0.324 4.193 263 HH2 TRP 41 HH2 TRP 41 9.336 2.758 4.627 264 H ASN 42 H ASN 42 7.499 0.608 -3.857 265 HA ASN 42 HA ASN 42 8.390 1.635 -6.151 266 1HB ASN 42 1HB ASN 42 6.369 3.195 -6.123 267 2HB ASN 42 2HB ASN 42 6.092 1.482 -5.896 268 1HD2 ASN 42 1HD2 ASN 42 7.026 4.045 -3.513 269 2HD2 ASN 42 2HD2 ASN 42 5.596 3.769 -2.504 270 H LYS 43 H LYS 43 10.117 2.721 -6.580 271 HA LYS 43 HA LYS 43 11.160 4.917 -4.956 272 1HB LYS 43 1HB LYS 43 12.145 3.958 -7.670 273 2HB LYS 43 2HB LYS 43 12.997 4.942 -6.492 274 1HG LYS 43 1HG LYS 43 12.777 2.978 -4.847 275 2HG LYS 43 2HG LYS 43 12.185 2.024 -6.179 276 1HD LYS 43 1HD LYS 43 14.469 1.465 -6.034 277 2HD LYS 43 2HD LYS 43 14.307 2.502 -7.443 278 1HE LYS 43 1HE LYS 43 16.304 3.061 -6.203 279 2HE LYS 43 2HE LYS 43 15.196 4.427 -6.129 280 1HZ LYS 43 3HZ LYS 43 15.413 2.403 -3.960 281 2HZ LYS 43 2HZ LYS 43 16.239 3.824 -3.957 282 3HZ LYS 43 1HZ LYS 43 14.614 3.811 -3.891 No H/Q in entry = 282 Start of MODEL 2 1 H1 LYS 1 1H LYS 1 7.296 -2.650 3.747 2 H2 LYS 1 3H LYS 1 8.092 -2.259 2.389 3 H3 LYS 1 2H LYS 1 8.308 -3.738 3.077 4 HA LYS 1 HA LYS 1 9.307 -2.745 5.030 5 1HB LYS 1 1HB LYS 1 11.496 -2.453 4.173 6 2HB LYS 1 2HB LYS 1 10.703 -3.622 3.140 7 1HG LYS 1 1HG LYS 1 10.192 -1.546 1.597 8 2HG LYS 1 2HG LYS 1 11.463 -0.753 2.512 9 1HD LYS 1 1HD LYS 1 11.815 -3.374 0.979 10 2HD LYS 1 2HD LYS 1 12.167 -1.773 0.371 11 1HE LYS 1 1HE LYS 1 14.252 -2.487 1.015 12 2HE LYS 1 2HE LYS 1 13.782 -1.524 2.408 13 1HZ LYS 1 1HZ LYS 1 13.617 -4.501 2.273 14 2HZ LYS 1 3HZ LYS 1 14.798 -3.664 3.014 15 3HZ LYS 1 2HZ LYS 1 13.278 -3.630 3.582 16 H TYR 2 H TYR 2 10.847 -0.665 5.490 17 HA TYR 2 HA TYR 2 9.098 1.538 5.956 18 1HB TYR 2 1HB TYR 2 11.887 1.983 6.520 19 2HB TYR 2 2HB TYR 2 10.599 1.693 7.669 20 HD1 TYR 2 HD1 TYR 2 10.445 -0.492 8.788 21 HD2 TYR 2 HD2 TYR 2 13.253 0.100 5.555 22 HE1 TYR 2 HE1 TYR 2 11.584 -2.648 9.354 23 HE2 TYR 2 HE2 TYR 2 14.322 -2.061 6.094 24 HH TYR 2 HH TYR 2 14.371 -3.880 7.499 25 H TYR 3 H TYR 3 11.873 0.886 3.901 26 HA TYR 3 HA TYR 3 11.708 3.075 2.028 27 1HB TYR 3 1HB TYR 3 12.562 4.429 3.883 28 2HB TYR 3 2HB TYR 3 13.695 3.162 4.331 29 HD1 TYR 3 HD1 TYR 3 12.858 5.594 1.588 30 HD2 TYR 3 HD2 TYR 3 15.891 3.161 3.431 31 HE1 TYR 3 HE1 TYR 3 14.594 6.680 0.175 32 HE2 TYR 3 HE2 TYR 3 17.614 4.205 2.033 33 HH TYR 3 HH TYR 3 18.069 5.836 0.444 34 H GLY 4 H GLY 4 12.623 2.256 0.248 35 1HA GLY 4 2HA GLY 4 13.492 0.588 -1.076 36 2HA GLY 4 1HA GLY 4 13.989 -0.352 0.323 37 H ASN 5 H ASN 5 15.900 -0.850 -0.829 38 HA ASN 5 HA ASN 5 18.173 0.847 -0.379 39 1HB ASN 5 1HB ASN 5 17.799 -1.688 -2.024 40 2HB ASN 5 2HB ASN 5 19.345 -0.888 -1.760 41 1HD2 ASN 5 1HD2 ASN 5 20.328 -0.966 0.339 42 2HD2 ASN 5 2HD2 ASN 5 19.689 -2.046 1.570 43 H GLY 6 H GLY 6 16.024 0.444 -3.105 44 1HA GLY 6 2HA GLY 6 16.330 1.448 -5.369 45 2HA GLY 6 1HA GLY 6 17.322 2.705 -4.626 46 H VAL 7 H VAL 7 15.959 3.314 -2.413 47 HA VAL 7 HA VAL 7 14.436 4.601 -1.432 48 HB VAL 7 HB VAL 7 13.338 5.288 -4.181 49 1HG1 VAL 7 3HG1 VAL 7 13.189 6.634 -1.459 50 2HG1 VAL 7 1HG1 VAL 7 12.691 7.391 -2.996 51 3HG1 VAL 7 2HG1 VAL 7 11.839 5.956 -2.403 52 1HG2 VAL 7 3HG2 VAL 7 15.473 6.652 -2.489 53 2HG2 VAL 7 1HG2 VAL 7 15.787 5.849 -4.048 54 3HG2 VAL 7 2HG2 VAL 7 14.798 7.312 -3.988 55 H HIS 8 H HIS 8 12.990 2.500 -3.795 56 HA HIS 8 HA HIS 8 10.694 1.921 -1.930 57 1HB HIS 8 1HB HIS 8 10.812 2.267 -4.968 58 2HB HIS 8 2HB HIS 8 9.389 1.759 -4.078 59 HD1 HIS 8 HD1 HIS 8 9.405 4.322 -5.933 60 HD2 HIS 8 HD2 HIS 8 9.728 4.136 -1.725 61 HE1 HIS 8 HE1 HIS 8 8.465 6.491 -5.066 62 HE2 HIS 8 HE2 HIS 8 8.631 6.394 -2.474 63 H CYS 9 H CYS 9 13.269 0.174 -2.939 64 HA CYS 9 HA CYS 9 11.641 -2.177 -3.853 65 1HB CYS 9 1HB CYS 9 14.588 -1.772 -4.420 66 2HB CYS 9 2HB CYS 9 13.476 -2.835 -5.218 67 H GLY 10 H GLY 10 11.823 -4.051 -2.747 68 1HA GLY 10 2HA GLY 10 12.252 -5.174 -0.623 69 2HA GLY 10 1HA GLY 10 13.845 -4.384 -0.549 70 H LYS 11 H LYS 11 11.872 -6.590 -2.502 71 HA LYS 11 HA LYS 11 14.345 -8.056 -3.413 72 1HB LYS 11 1HB LYS 11 11.796 -9.288 -2.251 73 2HB LYS 11 2HB LYS 11 13.034 -10.215 -3.105 74 1HG LYS 11 1HG LYS 11 14.750 -9.362 -1.441 75 2HG LYS 11 2HG LYS 11 13.455 -8.560 -0.583 76 1HD LYS 11 1HD LYS 11 13.941 -10.622 0.543 77 2HD LYS 11 2HD LYS 11 12.359 -10.801 -0.201 78 1HE LYS 11 1HE LYS 11 13.345 -12.113 -2.061 79 2HE LYS 11 2HE LYS 11 14.963 -11.883 -1.400 80 1HZ LYS 11 2HZ LYS 11 12.777 -13.297 -0.017 81 2HZ LYS 11 1HZ LYS 11 14.062 -14.001 -0.761 82 3HZ LYS 11 3HZ LYS 11 14.284 -13.085 0.568 83 H HIS 12 H HIS 12 11.263 -6.826 -4.365 84 HA HIS 12 HA HIS 12 11.950 -7.270 -7.184 85 1HB HIS 12 1HB HIS 12 9.736 -8.572 -7.618 86 2HB HIS 12 2HB HIS 12 11.078 -9.441 -6.902 87 HD1 HIS 12 HD1 HIS 12 7.799 -7.722 -5.620 88 HD2 HIS 12 HD2 HIS 12 10.610 -10.755 -4.735 89 HE1 HIS 12 HE1 HIS 12 6.920 -8.920 -3.560 90 HE2 HIS 12 HE2 HIS 12 8.618 -10.760 -2.994 91 H SER 13 H SER 13 9.659 -5.909 -4.872 92 HA SER 13 HA SER 13 8.244 -4.509 -7.089 93 1HB SER 13 1HB SER 13 7.396 -4.994 -4.225 94 2HB SER 13 2HB SER 13 6.447 -4.162 -5.472 95 HG SER 13 HG SER 13 5.859 -6.331 -5.443 96 H CYS 14 H CYS 14 9.305 -2.649 -7.544 97 HA CYS 14 HA CYS 14 10.425 -0.938 -5.474 98 1HB CYS 14 1HB CYS 14 10.146 -0.712 -8.457 99 2HB CYS 14 2HB CYS 14 10.895 0.542 -7.447 100 H THR 15 H THR 15 7.873 -1.255 -4.751 101 HA THR 15 HA THR 15 7.067 1.554 -4.501 102 HB THR 15 HB THR 15 4.622 0.927 -4.443 103 HG1 THR 15 HG1 THR 15 5.039 -1.345 -4.455 104 1HG2 THR 15 1HG2 THR 15 5.668 2.173 -6.353 105 2HG2 THR 15 3HG2 THR 15 5.902 0.599 -7.180 106 3HG2 THR 15 2HG2 THR 15 4.273 1.204 -6.804 107 H VAL 16 H VAL 16 8.319 1.302 -2.702 108 HA VAL 16 HA VAL 16 9.207 0.515 -0.820 109 HB VAL 16 HB VAL 16 6.715 0.750 0.746 110 1HG1 VAL 16 1HG1 VAL 16 9.052 0.656 1.685 111 2HG1 VAL 16 2HG1 VAL 16 9.423 2.180 0.845 112 3HG1 VAL 16 3HG1 VAL 16 8.180 2.134 2.122 113 1HG2 VAL 16 2HG2 VAL 16 7.801 3.142 -0.795 114 2HG2 VAL 16 3HG2 VAL 16 6.193 2.431 -0.956 115 3HG2 VAL 16 1HG2 VAL 16 6.636 3.183 0.560 116 H ASP 17 H ASP 17 8.694 -1.612 -2.251 117 HA ASP 17 HA ASP 17 8.185 -3.765 -2.518 118 1HB ASP 17 1HB ASP 17 10.205 -3.618 -0.948 119 2HB ASP 17 2HB ASP 17 9.123 -4.271 0.275 120 H TRP 18 H TRP 18 6.203 -2.394 -0.075 121 HA TRP 18 HA TRP 18 4.571 -4.737 0.431 122 1HB TRP 18 1HB TRP 18 3.305 -3.305 1.847 123 2HB TRP 18 2HB TRP 18 4.988 -3.121 2.172 124 HD1 TRP 18 HD1 TRP 18 4.312 -1.070 -0.828 125 HE1 TRP 18 HE1 TRP 18 3.991 1.336 -0.298 126 HE3 TRP 18 HE3 TRP 18 3.740 -1.485 4.261 127 HZ2 TRP 18 HZ2 TRP 18 3.491 2.992 2.070 128 HZ3 TRP 18 HZ3 TRP 18 3.282 0.546 5.602 129 HH2 TRP 18 HH2 TRP 18 3.162 2.777 4.530 130 H GLY 19 H GLY 19 4.740 -3.091 -2.325 131 1HA GLY 19 2HA GLY 19 3.360 -2.625 -4.146 132 2HA GLY 19 1HA GLY 19 2.515 -1.689 -2.898 133 H THR 20 H THR 20 2.473 -5.248 -3.065 134 HA THR 20 HA THR 20 -0.090 -5.353 -4.468 135 HB THR 20 HB THR 20 1.443 -7.514 -2.967 136 HG1 THR 20 HG1 THR 20 2.455 -6.685 -4.832 137 1HG2 THR 20 1HG2 THR 20 -0.894 -7.770 -4.917 138 2HG2 THR 20 3HG2 THR 20 0.094 -9.098 -4.314 139 3HG2 THR 20 2HG2 THR 20 -0.912 -8.191 -3.178 140 H ALA 21 H ALA 21 0.845 -5.495 -1.022 141 HA ALA 21 HA ALA 21 -1.833 -6.037 -0.016 142 1HB ALA 21 1HB ALA 21 0.525 -4.629 1.289 143 2HB ALA 21 2HB ALA 21 -0.909 -5.247 2.127 144 3HB ALA 21 3HB ALA 21 0.184 -6.385 1.331 145 H ILE 22 H ILE 22 0.042 -3.042 -0.631 146 HA ILE 22 HA ILE 22 -2.018 -1.168 0.018 147 HB ILE 22 HB ILE 22 0.241 -0.804 -1.979 148 1HG1 ILE 22 1HG1 ILE 22 1.240 -1.466 0.104 149 2HG1 ILE 22 2HG1 ILE 22 1.467 0.262 -0.127 150 1HG2 ILE 22 3HG2 ILE 22 -1.430 1.254 -0.529 151 2HG2 ILE 22 1HG2 ILE 22 0.047 1.609 -1.433 152 3HG2 ILE 22 2HG2 ILE 22 -1.361 0.947 -2.279 153 1HD1 ILE 22 2HD1 ILE 22 -0.391 0.716 1.498 154 2HD1 ILE 22 3HD1 ILE 22 -0.525 -1.033 1.786 155 3HD1 ILE 22 1HD1 ILE 22 0.960 -0.175 2.186 156 H GLY 23 H GLY 23 -1.283 -2.837 -3.051 157 1HA GLY 23 2HA GLY 23 -2.603 -3.322 -4.855 158 2HA GLY 23 1HA GLY 23 -3.211 -1.662 -4.754 159 H ASN 24 H ASN 24 -3.566 -4.644 -2.735 160 HA ASN 24 HA ASN 24 -6.300 -5.122 -3.255 161 1HB ASN 24 1HB ASN 24 -4.789 -6.764 -2.233 162 2HB ASN 24 2HB ASN 24 -4.649 -5.792 -0.761 163 1HD2 ASN 24 1HD2 ASN 24 -7.061 -7.512 -2.821 164 2HD2 ASN 24 2HD2 ASN 24 -8.140 -7.855 -1.467 165 H ILE 25 H ILE 25 -4.837 -3.312 -0.566 166 HA ILE 25 HA ILE 25 -7.248 -2.475 0.736 167 HB ILE 25 HB ILE 25 -4.478 -1.261 0.721 168 1HG1 ILE 25 1HG1 ILE 25 -5.902 -2.652 3.018 169 2HG1 ILE 25 2HG1 ILE 25 -5.063 -3.610 1.835 170 1HG2 ILE 25 2HG2 ILE 25 -6.873 -0.453 2.441 171 2HG2 ILE 25 3HG2 ILE 25 -5.213 0.056 2.699 172 3HG2 ILE 25 1HG2 ILE 25 -6.059 0.554 1.229 173 1HD1 ILE 25 2HD1 ILE 25 -2.960 -2.318 2.293 174 2HD1 ILE 25 3HD1 ILE 25 -3.831 -1.464 3.612 175 3HD1 ILE 25 1HD1 ILE 25 -3.581 -3.211 3.700 176 H GLY 26 H GLY 26 -5.230 -0.639 -1.580 177 1HA GLY 26 2HA GLY 26 -5.734 1.069 -3.034 178 2HA GLY 26 1HA GLY 26 -6.854 1.615 -1.805 179 H ASN 27 H ASN 27 -6.902 -1.300 -3.913 180 HA ASN 27 HA ASN 27 -8.849 -0.450 -5.791 181 1HB ASN 27 1HB ASN 27 -7.330 -2.346 -6.073 182 2HB ASN 27 2HB ASN 27 -8.147 -3.260 -4.826 183 1HD2 ASN 27 1HD2 ASN 27 -8.551 -1.799 -8.058 184 2HD2 ASN 27 2HD2 ASN 27 -9.859 -2.863 -8.553 185 H ASN 28 H ASN 28 -9.431 -2.574 -2.910 186 HA ASN 28 HA ASN 28 -12.301 -2.335 -3.271 187 1HB ASN 28 1HB ASN 28 -10.495 -3.702 -1.252 188 2HB ASN 28 2HB ASN 28 -12.225 -3.576 -0.952 189 1HD2 ASN 28 1HD2 ASN 28 -13.715 -4.557 -2.633 190 2HD2 ASN 28 2HD2 ASN 28 -13.014 -5.907 -3.539 191 H ALA 29 H ALA 29 -10.003 -0.447 -1.330 192 HA ALA 29 HA ALA 29 -12.007 0.891 0.212 193 1HB ALA 29 1HB ALA 29 -9.645 1.144 0.746 194 2HB ALA 29 2HB ALA 29 -9.334 1.924 -0.824 195 3HB ALA 29 3HB ALA 29 -10.363 2.727 0.374 196 H ALA 30 H ALA 30 -10.605 1.666 -3.021 197 HA ALA 30 HA ALA 30 -12.353 3.860 -3.590 198 1HB ALA 30 2HB ALA 30 -10.827 1.991 -5.446 199 2HB ALA 30 3HB ALA 30 -11.498 3.574 -5.909 200 3HB ALA 30 1HB ALA 30 -10.201 3.504 -4.718 201 H ALA 31 H ALA 31 -12.787 0.374 -4.008 202 HA ALA 31 HA ALA 31 -15.143 0.444 -5.630 203 1HB ALA 31 1HB ALA 31 -13.712 -1.576 -5.135 204 2HB ALA 31 3HB ALA 31 -15.476 -1.822 -4.993 205 3HB ALA 31 2HB ALA 31 -14.477 -1.681 -3.540 206 H ASN 32 H ASN 32 -14.847 0.412 -2.021 207 HA ASN 32 HA ASN 32 -17.439 1.807 -1.852 208 1HB ASN 32 1HB ASN 32 -18.563 0.149 -0.530 209 2HB ASN 32 2HB ASN 32 -18.063 -0.570 -2.063 210 1HD2 ASN 32 1HD2 ASN 32 -17.474 -0.555 1.459 211 2HD2 ASN 32 2HD2 ASN 32 -16.531 -2.043 1.416 212 H TRP 33 H TRP 33 -14.475 0.906 -0.108 213 HA TRP 33 HA TRP 33 -15.642 1.549 2.474 214 1HB TRP 33 1HB TRP 33 -13.549 0.006 1.709 215 2HB TRP 33 2HB TRP 33 -12.670 1.442 2.185 216 HD1 TRP 33 HD1 TRP 33 -13.811 2.307 4.848 217 HE1 TRP 33 HE1 TRP 33 -13.923 0.789 6.914 218 HE3 TRP 33 HE3 TRP 33 -13.457 -2.286 2.570 219 HZ2 TRP 33 HZ2 TRP 33 -13.699 -2.009 7.534 220 HZ3 TRP 33 HZ3 TRP 33 -13.388 -4.354 3.930 221 HH2 TRP 33 HH2 TRP 33 -13.526 -4.233 6.406 222 H ALA 34 H ALA 34 -13.652 3.362 0.212 223 HA ALA 34 HA ALA 34 -12.802 5.466 1.931 224 1HB ALA 34 1HB ALA 34 -11.755 4.840 -0.210 225 2HB ALA 34 3HB ALA 34 -12.146 6.552 -0.177 226 3HB ALA 34 2HB ALA 34 -13.157 5.430 -1.112 227 H THR 35 H THR 35 -15.898 4.968 0.705 228 HA THR 35 HA THR 35 -16.782 7.706 1.524 229 HB THR 35 HB THR 35 -16.811 7.291 -0.925 230 HG1 THR 35 HG1 THR 35 -18.880 8.191 -1.142 231 1HG2 THR 35 1HG2 THR 35 -17.564 4.950 -1.003 232 2HG2 THR 35 3HG2 THR 35 -19.136 5.422 -0.314 233 3HG2 THR 35 2HG2 THR 35 -18.654 6.008 -1.909 234 H GLY 36 H GLY 36 -16.773 4.692 2.609 235 1HA GLY 36 2HA GLY 36 -18.216 3.239 3.751 236 2HA GLY 36 1HA GLY 36 -19.589 4.227 3.298 237 H GLY 37 H GLY 37 -17.000 5.952 4.871 238 1HA GLY 37 2HA GLY 37 -17.858 5.584 7.603 239 2HA GLY 37 1HA GLY 37 -18.545 7.051 6.902 240 H ASN 38 H ASN 38 -17.176 7.764 8.878 241 HA ASN 38 HA ASN 38 -14.680 8.966 8.061 242 1HB ASN 38 1HB ASN 38 -16.337 9.957 9.662 243 2HB ASN 38 2HB ASN 38 -15.964 8.664 10.818 244 1HD2 ASN 38 1HD2 ASN 38 -14.917 9.849 12.467 245 2HD2 ASN 38 2HD2 ASN 38 -13.479 10.820 12.164 246 H ALA 39 H ALA 39 -12.648 8.665 9.135 247 HA ALA 39 HA ALA 39 -10.773 7.491 9.507 248 1HB ALA 39 2HB ALA 39 -11.650 7.387 11.773 249 2HB ALA 39 3HB ALA 39 -12.489 5.854 11.405 250 3HB ALA 39 1HB ALA 39 -10.717 5.931 11.387 251 H GLY 40 H GLY 40 -12.894 4.638 9.630 252 1HA GLY 40 2HA GLY 40 -12.346 3.720 6.973 253 2HA GLY 40 1HA GLY 40 -13.069 2.742 8.263 254 H TRP 41 H TRP 41 -11.528 1.783 6.314 255 HA TRP 41 HA TRP 41 -9.770 -0.022 7.504 256 1HB TRP 41 1HB TRP 41 -10.992 -0.030 5.266 257 2HB TRP 41 2HB TRP 41 -9.720 1.003 4.642 258 HD1 TRP 41 HD1 TRP 41 -7.906 -1.382 6.624 259 HE1 TRP 41 HE1 TRP 41 -7.137 -3.433 5.296 260 HE3 TRP 41 HE3 TRP 41 -10.878 -0.787 2.528 261 HZ2 TRP 41 HZ2 TRP 41 -7.922 -4.795 2.840 262 HZ3 TRP 41 HZ3 TRP 41 -10.861 -2.480 0.718 263 HH2 TRP 41 HH2 TRP 41 -9.391 -4.486 0.869 264 H ASN 42 H ASN 42 -7.682 -0.048 8.057 265 HA ASN 42 HA ASN 42 -5.839 2.139 8.001 266 1HB ASN 42 1HB ASN 42 -4.172 0.530 8.607 267 2HB ASN 42 2HB ASN 42 -5.652 0.070 9.456 268 1HD2 ASN 42 1HD2 ASN 42 -3.387 -0.874 6.868 269 2HD2 ASN 42 2HD2 ASN 42 -4.124 -2.463 6.628 270 H LYS 43 H LYS 43 -4.021 2.518 6.785 271 HA LYS 43 HA LYS 43 -3.965 1.551 3.958 272 1HB LYS 43 1HB LYS 43 -3.466 4.425 4.830 273 2HB LYS 43 2HB LYS 43 -3.712 3.800 3.192 274 1HG LYS 43 1HG LYS 43 -6.066 3.105 4.002 275 2HG LYS 43 2HG LYS 43 -5.763 4.114 5.400 276 1HD LYS 43 1HD LYS 43 -6.992 5.499 3.860 277 2HD LYS 43 2HD LYS 43 -5.354 6.090 3.908 278 1HE LYS 43 1HE LYS 43 -6.156 6.121 1.646 279 2HE LYS 43 2HE LYS 43 -4.865 4.930 1.765 280 1HZ LYS 43 1HZ LYS 43 -6.646 3.201 1.870 281 2HZ LYS 43 3HZ LYS 43 -7.787 4.359 1.710 282 3HZ LYS 43 2HZ LYS 43 -6.751 4.071 0.492 No H/Q in entry = 282 Start of MODEL 3 1 H1 LYS 1 3H LYS 1 -15.435 0.307 4.342 2 H2 LYS 1 2H LYS 1 -14.134 -0.074 3.425 3 H3 LYS 1 1H LYS 1 -14.915 1.374 3.238 4 HA LYS 1 HA LYS 1 -16.884 0.310 2.449 5 1HB LYS 1 1HB LYS 1 -14.721 0.774 0.950 6 2HB LYS 1 2HB LYS 1 -14.759 -0.964 0.730 7 1HG LYS 1 1HG LYS 1 -17.080 -0.783 -0.129 8 2HG LYS 1 2HG LYS 1 -17.098 0.971 0.199 9 1HD LYS 1 1HD LYS 1 -15.247 1.271 -1.465 10 2HD LYS 1 2HD LYS 1 -15.250 -0.487 -1.723 11 1HE LYS 1 1HE LYS 1 -17.614 -0.361 -2.449 12 2HE LYS 1 2HE LYS 1 -17.589 1.398 -2.272 13 1HZ LYS 1 3HZ LYS 1 -15.837 -0.109 -4.133 14 2HZ LYS 1 2HZ LYS 1 -17.185 0.699 -4.567 15 3HZ LYS 1 1HZ LYS 1 -15.900 1.515 -4.003 16 H TYR 2 H TYR 2 -17.579 -1.855 1.270 17 HA TYR 2 HA TYR 2 -18.351 -3.450 3.431 18 1HB TYR 2 1HB TYR 2 -18.490 -4.221 0.514 19 2HB TYR 2 2HB TYR 2 -19.570 -4.717 1.817 20 HD1 TYR 2 HD1 TYR 2 -20.738 -2.696 3.103 21 HD2 TYR 2 HD2 TYR 2 -19.266 -2.486 -0.932 22 HE1 TYR 2 HE1 TYR 2 -22.296 -0.753 2.605 23 HE2 TYR 2 HE2 TYR 2 -20.779 -0.558 -1.399 24 HH TYR 2 HH TYR 2 -23.010 0.713 1.026 25 H TYR 3 H TYR 3 -15.505 -3.974 1.541 26 HA TYR 3 HA TYR 3 -14.969 -6.610 2.734 27 1HB TYR 3 1HB TYR 3 -16.374 -7.148 0.822 28 2HB TYR 3 2HB TYR 3 -15.403 -6.141 -0.242 29 HD1 TYR 3 HD1 TYR 3 -14.498 -8.933 2.156 30 HD2 TYR 3 HD2 TYR 3 -14.505 -7.430 -1.882 31 HE1 TYR 3 HE1 TYR 3 -13.100 -10.873 1.414 32 HE2 TYR 3 HE2 TYR 3 -13.215 -9.395 -2.620 33 HH TYR 3 HH TYR 3 -12.064 -11.894 -0.348 34 H GLY 4 H GLY 4 -12.760 -7.470 1.634 35 1HA GLY 4 2HA GLY 4 -10.742 -7.012 2.805 36 2HA GLY 4 1HA GLY 4 -10.850 -5.299 2.427 37 H ASN 5 H ASN 5 -11.448 -7.143 -0.406 38 HA ASN 5 HA ASN 5 -8.548 -7.219 -1.131 39 1HB ASN 5 1HB ASN 5 -9.831 -9.323 -1.120 40 2HB ASN 5 2HB ASN 5 -10.875 -8.672 -2.391 41 1HD2 ASN 5 1HD2 ASN 5 -7.378 -9.437 -1.692 42 2HD2 ASN 5 2HD2 ASN 5 -7.050 -9.806 -3.371 43 H GLY 6 H GLY 6 -10.758 -7.249 -3.785 44 1HA GLY 6 2HA GLY 6 -10.307 -6.070 -5.765 45 2HA GLY 6 1HA GLY 6 -9.436 -4.844 -4.860 46 H VAL 7 H VAL 7 -12.109 -5.010 -3.154 47 HA VAL 7 HA VAL 7 -14.248 -4.030 -4.780 48 HB VAL 7 HB VAL 7 -14.292 -5.312 -2.573 49 1HG1 VAL 7 2HG1 VAL 7 -12.885 -3.817 -1.191 50 2HG1 VAL 7 3HG1 VAL 7 -14.128 -2.541 -1.331 51 3HG1 VAL 7 1HG1 VAL 7 -14.490 -4.038 -0.499 52 1HG2 VAL 7 3HG2 VAL 7 -16.331 -4.529 -3.645 53 2HG2 VAL 7 1HG2 VAL 7 -16.428 -4.488 -1.881 54 3HG2 VAL 7 2HG2 VAL 7 -16.203 -2.972 -2.807 55 H HIS 8 H HIS 8 -11.684 -2.339 -3.359 56 HA HIS 8 HA HIS 8 -13.060 -0.207 -2.130 57 1HB HIS 8 1HB HIS 8 -10.134 -0.357 -2.909 58 2HB HIS 8 2HB HIS 8 -10.821 0.721 -1.688 59 HD1 HIS 8 HD1 HIS 8 -9.323 -2.654 -1.894 60 HD2 HIS 8 HD2 HIS 8 -12.262 -0.678 0.408 61 HE1 HIS 8 HE1 HIS 8 -9.726 -4.080 0.143 62 HE2 HIS 8 HE2 HIS 8 -11.589 -2.954 1.510 63 H CYS 9 H CYS 9 -12.536 2.045 -2.291 64 HA CYS 9 HA CYS 9 -12.533 4.075 -3.147 65 1HB CYS 9 1HB CYS 9 -10.410 3.016 -4.195 66 2HB CYS 9 2HB CYS 9 -11.276 3.186 -5.728 67 H GLY 10 H GLY 10 -12.912 5.277 -5.504 68 1HA GLY 10 2HA GLY 10 -15.850 5.151 -5.717 69 2HA GLY 10 1HA GLY 10 -14.923 4.904 -7.219 70 H LYS 11 H LYS 11 -15.705 7.159 -4.673 71 HA LYS 11 HA LYS 11 -14.920 9.528 -6.215 72 1HB LYS 11 1HB LYS 11 -17.041 9.384 -4.895 73 2HB LYS 11 2HB LYS 11 -16.093 9.394 -3.413 74 1HG LYS 11 1HG LYS 11 -15.188 11.635 -4.026 75 2HG LYS 11 2HG LYS 11 -16.003 11.549 -5.593 76 1HD LYS 11 1HD LYS 11 -17.263 13.010 -4.132 77 2HD LYS 11 2HD LYS 11 -18.207 11.549 -4.417 78 1HE LYS 11 1HE LYS 11 -17.457 10.637 -2.218 79 2HE LYS 11 2HE LYS 11 -16.464 12.074 -1.980 80 1HZ LYS 11 2HZ LYS 11 -18.500 13.410 -1.953 81 2HZ LYS 11 1HZ LYS 11 -19.408 12.068 -2.165 82 3HZ LYS 11 3HZ LYS 11 -18.550 12.297 -0.790 83 H HIS 12 H HIS 12 -12.769 8.562 -6.220 84 HA HIS 12 HA HIS 12 -10.562 8.323 -5.728 85 1HB HIS 12 1HB HIS 12 -9.474 10.407 -5.649 86 2HB HIS 12 2HB HIS 12 -10.961 10.660 -6.516 87 HD1 HIS 12 HD1 HIS 12 -12.542 12.496 -5.601 88 HD2 HIS 12 HD2 HIS 12 -9.436 11.357 -2.990 89 HE1 HIS 12 HE1 HIS 12 -12.566 14.205 -3.630 90 HE2 HIS 12 HE2 HIS 12 -10.661 13.489 -2.073 91 H SER 13 H SER 13 -12.295 8.309 -2.914 92 HA SER 13 HA SER 13 -10.114 8.452 -1.000 93 1HB SER 13 1HB SER 13 -13.009 7.538 -0.691 94 2HB SER 13 2HB SER 13 -11.898 7.845 0.623 95 HG SER 13 HG SER 13 -12.767 9.715 -1.336 96 H CYS 14 H CYS 14 -8.897 6.812 -2.430 97 HA CYS 14 HA CYS 14 -9.757 4.051 -2.289 98 1HB CYS 14 1HB CYS 14 -7.068 5.186 -3.126 99 2HB CYS 14 2HB CYS 14 -7.676 3.586 -3.452 100 H THR 15 H THR 15 -8.798 2.272 -1.257 101 HA THR 15 HA THR 15 -6.676 2.501 0.674 102 HB THR 15 HB THR 15 -8.611 3.461 1.951 103 HG1 THR 15 HG1 THR 15 -8.209 2.170 3.744 104 1HG2 THR 15 1HG2 THR 15 -10.468 2.058 1.036 105 2HG2 THR 15 3HG2 THR 15 -9.797 0.650 1.892 106 3HG2 THR 15 2HG2 THR 15 -10.391 2.061 2.795 107 H VAL 16 H VAL 16 -6.736 0.276 2.000 108 HA VAL 16 HA VAL 16 -7.912 -2.003 0.759 109 HB VAL 16 HB VAL 16 -4.865 -2.015 0.846 110 1HG1 VAL 16 2HG1 VAL 16 -5.878 -4.310 1.157 111 2HG1 VAL 16 3HG1 VAL 16 -6.829 -4.064 -0.329 112 3HG1 VAL 16 1HG1 VAL 16 -5.079 -4.180 -0.389 113 1HG2 VAL 16 2HG2 VAL 16 -6.561 -1.952 -1.674 114 2HG2 VAL 16 3HG2 VAL 16 -5.467 -0.655 -1.126 115 3HG2 VAL 16 1HG2 VAL 16 -4.804 -2.189 -1.614 116 H ASP 17 H ASP 17 -7.977 -3.814 2.240 117 HA ASP 17 HA ASP 17 -7.413 -3.206 5.033 118 1HB ASP 17 1HB ASP 17 -9.376 -4.495 4.312 119 2HB ASP 17 2HB ASP 17 -8.324 -5.770 3.708 120 H TRP 18 H TRP 18 -5.107 -2.755 4.491 121 HA TRP 18 HA TRP 18 -3.318 -5.156 4.749 122 1HB TRP 18 1HB TRP 18 -2.112 -4.646 2.831 123 2HB TRP 18 2HB TRP 18 -3.770 -4.527 2.346 124 HD1 TRP 18 HD1 TRP 18 -3.810 -1.381 3.784 125 HE1 TRP 18 HE1 TRP 18 -2.857 0.477 2.470 126 HE3 TRP 18 HE3 TRP 18 -1.074 -4.128 0.416 127 HZ2 TRP 18 HZ2 TRP 18 -1.162 0.842 0.110 128 HZ3 TRP 18 HZ3 TRP 18 0.253 -2.979 -1.337 129 HH2 TRP 18 HH2 TRP 18 0.190 -0.479 -1.511 130 H GLY 19 H GLY 19 -3.848 -2.853 6.659 131 1HA GLY 19 2HA GLY 19 -2.648 -1.601 8.166 132 2HA GLY 19 1HA GLY 19 -1.898 -0.917 6.753 133 H THR 20 H THR 20 -1.319 -4.267 7.812 134 HA THR 20 HA THR 20 1.306 -3.770 8.937 135 HB THR 20 HB THR 20 0.230 -6.339 7.723 136 HG1 THR 20 HG1 THR 20 -0.326 -6.757 9.916 137 1HG2 THR 20 3HG2 THR 20 2.394 -5.833 9.817 138 2HG2 THR 20 2HG2 THR 20 1.753 -7.440 9.339 139 3HG2 THR 20 1HG2 THR 20 2.662 -6.471 8.187 140 H ALA 21 H ALA 21 0.257 -4.484 5.602 141 HA ALA 21 HA ALA 21 2.928 -4.703 4.488 142 1HB ALA 21 3HB ALA 21 0.303 -4.014 3.092 143 2HB ALA 21 1HB ALA 21 1.799 -4.553 2.336 144 3HB ALA 21 2HB ALA 21 0.908 -5.669 3.371 145 H ILE 22 H ILE 22 0.671 -2.008 5.042 146 HA ILE 22 HA ILE 22 2.244 0.073 3.885 147 HB ILE 22 HB ILE 22 0.604 0.421 6.418 148 1HG1 ILE 22 1HG1 ILE 22 -0.328 0.543 3.523 149 2HG1 ILE 22 2HG1 ILE 22 -0.828 -0.666 4.711 150 1HG2 ILE 22 1HG2 ILE 22 2.150 2.295 5.774 151 2HG2 ILE 22 2HG2 ILE 22 1.401 2.365 4.195 152 3HG2 ILE 22 3HG2 ILE 22 0.468 2.774 5.635 153 1HD1 ILE 22 1HD1 ILE 22 -1.736 1.294 6.111 154 2HD1 ILE 22 2HD1 ILE 22 -1.564 2.259 4.627 155 3HD1 ILE 22 3HD1 ILE 22 -2.618 0.829 4.653 156 H GLY 23 H GLY 23 2.423 -1.468 7.102 157 1HA GLY 23 2HA GLY 23 4.150 -1.608 8.642 158 2HA GLY 23 1HA GLY 23 4.528 0.085 8.203 159 H ASN 24 H ASN 24 4.714 -3.060 6.508 160 HA ASN 24 HA ASN 24 7.513 -3.300 6.310 161 1HB ASN 24 1HB ASN 24 6.176 -5.219 5.881 162 2HB ASN 24 2HB ASN 24 5.170 -4.371 4.729 163 1HD2 ASN 24 1HD2 ASN 24 8.515 -5.758 5.064 164 2HD2 ASN 24 2HD2 ASN 24 8.655 -5.912 3.313 165 H ILE 25 H ILE 25 5.315 -1.741 3.961 166 HA ILE 25 HA ILE 25 7.204 -0.851 2.029 167 HB ILE 25 HB ILE 25 4.487 0.191 2.937 168 1HG1 ILE 25 1HG1 ILE 25 5.329 -0.982 0.279 169 2HG1 ILE 25 2HG1 ILE 25 4.904 -2.022 1.617 170 1HG2 ILE 25 3HG2 ILE 25 6.173 1.252 0.626 171 2HG2 ILE 25 1HG2 ILE 25 4.470 1.625 0.881 172 3HG2 ILE 25 2HG2 ILE 25 5.669 2.192 2.055 173 1HD1 ILE 25 1HD1 ILE 25 2.623 -0.962 1.727 174 2HD1 ILE 25 2HD1 ILE 25 3.030 -0.081 0.234 175 3HD1 ILE 25 3HD1 ILE 25 3.011 -1.844 0.229 176 H GLY 26 H GLY 26 5.976 0.889 4.917 177 1HA GLY 26 2HA GLY 26 6.902 2.556 6.214 178 2HA GLY 26 1HA GLY 26 7.592 3.191 4.725 179 H ASN 27 H ASN 27 8.255 0.191 6.544 180 HA ASN 27 HA ASN 27 10.805 0.918 7.588 181 1HB ASN 27 1HB ASN 27 9.678 -1.829 6.879 182 2HB ASN 27 2HB ASN 27 11.199 -1.588 7.730 183 1HD2 ASN 27 1HD2 ASN 27 8.860 -3.026 8.758 184 2HD2 ASN 27 2HD2 ASN 27 8.430 -2.106 10.200 185 H ASN 28 H ASN 28 9.997 -0.581 4.433 186 HA ASN 28 HA ASN 28 12.776 -0.806 3.600 187 1HB ASN 28 1HB ASN 28 10.996 -2.324 2.754 188 2HB ASN 28 2HB ASN 28 10.088 -0.945 2.128 189 1HD2 ASN 28 1HD2 ASN 28 12.924 -3.051 1.645 190 2HD2 ASN 28 2HD2 ASN 28 13.207 -2.460 0.013 191 H ALA 29 H ALA 29 10.265 1.633 2.963 192 HA ALA 29 HA ALA 29 11.879 3.365 1.368 193 1HB ALA 29 3HB ALA 29 9.751 4.144 3.437 194 2HB ALA 29 1HB ALA 29 10.336 5.104 2.063 195 3HB ALA 29 2HB ALA 29 9.409 3.615 1.777 196 H ALA 30 H ALA 30 11.606 3.134 4.926 197 HA ALA 30 HA ALA 30 13.621 5.098 5.488 198 1HB ALA 30 3HB ALA 30 11.837 4.405 7.079 199 2HB ALA 30 2HB ALA 30 13.462 4.274 7.770 200 3HB ALA 30 1HB ALA 30 12.638 2.817 7.233 201 H ALA 31 H ALA 31 13.906 1.671 4.568 202 HA ALA 31 HA ALA 31 16.576 1.349 5.559 203 1HB ALA 31 3HB ALA 31 15.147 -0.125 3.311 204 2HB ALA 31 1HB ALA 31 16.640 -0.624 4.112 205 3HB ALA 31 2HB ALA 31 15.142 -0.547 5.043 206 H ASN 32 H ASN 32 15.522 1.774 2.146 207 HA ASN 32 HA ASN 32 17.938 3.468 1.560 208 1HB ASN 32 1HB ASN 32 17.333 0.809 0.261 209 2HB ASN 32 2HB ASN 32 18.440 1.989 -0.441 210 1HD2 ASN 32 1HD2 ASN 32 18.234 -0.687 1.678 211 2HD2 ASN 32 2HD2 ASN 32 19.827 -0.479 2.404 212 H TRP 33 H TRP 33 14.631 3.335 1.159 213 HA TRP 33 HA TRP 33 14.722 4.561 -1.541 214 1HB TRP 33 1HB TRP 33 12.956 2.288 -0.596 215 2HB TRP 33 2HB TRP 33 12.725 3.162 -2.121 216 HD1 TRP 33 HD1 TRP 33 14.796 3.046 -3.874 217 HE1 TRP 33 HE1 TRP 33 16.457 1.160 -4.441 218 HE3 TRP 33 HE3 TRP 33 14.094 0.129 0.242 219 HZ2 TRP 33 HZ2 TRP 33 17.431 -1.259 -3.163 220 HZ3 TRP 33 HZ3 TRP 33 15.453 -1.924 0.599 221 HH2 TRP 33 HH2 TRP 33 17.158 -2.592 -1.068 222 H ALA 34 H ALA 34 14.633 6.163 0.541 223 HA ALA 34 HA ALA 34 12.244 6.701 1.834 224 1HB ALA 34 3HB ALA 34 14.406 7.530 2.523 225 2HB ALA 34 1HB ALA 34 14.500 8.620 1.125 226 3HB ALA 34 2HB ALA 34 13.274 8.881 2.384 227 H THR 35 H THR 35 13.051 7.730 -1.425 228 HA THR 35 HA THR 35 10.997 9.702 -1.755 229 HB THR 35 HB THR 35 13.027 9.492 -3.141 230 HG1 THR 35 HG1 THR 35 12.021 10.148 -4.976 231 1HG2 THR 35 2HG2 THR 35 13.001 7.041 -3.568 232 2HG2 THR 35 1HG2 THR 35 11.544 7.258 -4.578 233 3HG2 THR 35 3HG2 THR 35 13.081 7.989 -5.057 234 H GLY 36 H GLY 36 10.842 6.261 -1.618 235 1HA GLY 36 2HA GLY 36 7.956 6.163 -1.919 236 2HA GLY 36 1HA GLY 36 9.045 4.807 -1.568 237 H GLY 37 H GLY 37 7.180 4.039 -3.036 238 1HA GLY 37 2HA GLY 37 7.090 4.634 -5.800 239 2HA GLY 37 1HA GLY 37 6.378 3.225 -5.050 240 H ASN 38 H ASN 38 9.344 2.473 -4.190 241 HA ASN 38 HA ASN 38 10.045 1.075 -6.702 242 1HB ASN 38 1HB ASN 38 11.120 3.347 -6.757 243 2HB ASN 38 2HB ASN 38 11.992 2.930 -5.263 244 1HD2 ASN 38 1HD2 ASN 38 14.024 3.270 -6.402 245 2HD2 ASN 38 2HD2 ASN 38 14.531 2.087 -7.591 246 H ALA 39 H ALA 39 11.853 -0.407 -6.409 247 HA ALA 39 HA ALA 39 12.740 -2.280 -5.615 248 1HB ALA 39 1HB ALA 39 13.896 -0.767 -4.056 249 2HB ALA 39 3HB ALA 39 13.710 -2.417 -3.427 250 3HB ALA 39 2HB ALA 39 12.664 -1.110 -2.823 251 H GLY 40 H GLY 40 12.437 -4.148 -3.837 252 1HA GLY 40 2HA GLY 40 11.033 -6.043 -4.146 253 2HA GLY 40 1HA GLY 40 9.604 -4.999 -4.215 254 H TRP 41 H TRP 41 9.236 -3.729 -2.109 255 HA TRP 41 HA TRP 41 10.335 -4.431 0.347 256 1HB TRP 41 1HB TRP 41 8.186 -3.362 1.274 257 2HB TRP 41 2HB TRP 41 9.303 -2.437 0.302 258 HD1 TRP 41 HD1 TRP 41 6.287 -4.613 -0.805 259 HE1 TRP 41 HE1 TRP 41 5.032 -3.340 -2.567 260 HE3 TRP 41 HE3 TRP 41 8.860 -0.185 -0.583 261 HZ2 TRP 41 HZ2 TRP 41 4.896 -0.665 -3.576 262 HZ3 TRP 41 HZ3 TRP 41 8.002 1.794 -1.846 263 HH2 TRP 41 HH2 TRP 41 6.012 1.576 -3.344 264 H ASN 42 H ASN 42 7.606 -6.065 -1.182 265 HA ASN 42 HA ASN 42 8.168 -8.415 0.412 266 1HB ASN 42 1HB ASN 42 5.851 -8.751 1.231 267 2HB ASN 42 2HB ASN 42 6.545 -7.269 1.894 268 1HD2 ASN 42 1HD2 ASN 42 5.376 -5.358 1.581 269 2HD2 ASN 42 2HD2 ASN 42 3.910 -5.276 0.612 270 H LYS 43 H LYS 43 8.454 -7.694 -2.146 271 HA LYS 43 HA LYS 43 6.401 -9.026 -3.865 272 1HB LYS 43 1HB LYS 43 8.850 -7.442 -4.744 273 2HB LYS 43 2HB LYS 43 7.559 -8.039 -5.772 274 1HG LYS 43 1HG LYS 43 5.961 -6.644 -4.247 275 2HG LYS 43 2HG LYS 43 7.420 -5.879 -3.635 276 1HD LYS 43 1HD LYS 43 6.581 -4.440 -5.349 277 2HD LYS 43 2HD LYS 43 8.001 -5.223 -6.025 278 1HE LYS 43 1HE LYS 43 6.531 -6.844 -7.203 279 2HE LYS 43 2HE LYS 43 5.111 -6.102 -6.504 280 1HZ LYS 43 1HZ LYS 43 5.742 -4.021 -7.691 281 2HZ LYS 43 3HZ LYS 43 7.018 -4.752 -8.362 282 3HZ LYS 43 2HZ LYS 43 5.522 -5.271 -8.720 No H/Q in entry = 282 Start of MODEL 4 1 H1 LYS 1 2H LYS 1 -20.528 5.046 0.371 2 H2 LYS 1 1H LYS 1 -20.655 3.553 -0.258 3 H3 LYS 1 3H LYS 1 -21.363 3.895 1.165 4 HA LYS 1 HA LYS 1 -19.229 4.208 2.214 5 1HB LYS 1 1HB LYS 1 -20.294 1.973 2.262 6 2HB LYS 1 2HB LYS 1 -19.453 1.525 0.789 7 1HG LYS 1 1HG LYS 1 -17.257 1.804 1.949 8 2HG LYS 1 2HG LYS 1 -18.066 2.300 3.421 9 1HD LYS 1 1HD LYS 1 -18.430 -0.430 2.112 10 2HD LYS 1 2HD LYS 1 -17.330 -0.083 3.430 11 1HE LYS 1 1HE LYS 1 -19.303 0.679 4.824 12 2HE LYS 1 2HE LYS 1 -20.375 0.193 3.510 13 1HZ LYS 1 3HZ LYS 1 -18.526 -1.614 4.957 14 2HZ LYS 1 2HZ LYS 1 -20.129 -1.508 5.200 15 3HZ LYS 1 1HZ LYS 1 -19.543 -2.067 3.775 16 H TYR 2 H TYR 2 -18.363 2.417 -0.773 17 HA TYR 2 HA TYR 2 -15.657 3.312 -0.680 18 1HB TYR 2 1HB TYR 2 -17.152 2.223 -3.091 19 2HB TYR 2 2HB TYR 2 -15.436 2.060 -2.749 20 HD1 TYR 2 HD1 TYR 2 -18.126 0.094 -3.089 21 HD2 TYR 2 HD2 TYR 2 -15.268 1.089 -0.005 22 HE1 TYR 2 HE1 TYR 2 -18.669 -1.983 -1.920 23 HE2 TYR 2 HE2 TYR 2 -15.800 -1.088 1.142 24 HH TYR 2 HH TYR 2 -18.266 -3.315 -0.139 25 H TYR 3 H TYR 3 -14.477 4.659 -1.925 26 HA TYR 3 HA TYR 3 -15.902 6.833 -3.422 27 1HB TYR 3 1HB TYR 3 -14.434 8.417 -2.233 28 2HB TYR 3 2HB TYR 3 -15.442 7.465 -1.170 29 HD1 TYR 3 HD1 TYR 3 -14.512 6.136 0.588 30 HD2 TYR 3 HD2 TYR 3 -11.935 7.812 -2.431 31 HE1 TYR 3 HE1 TYR 3 -12.552 5.444 1.904 32 HE2 TYR 3 HE2 TYR 3 -9.939 7.059 -1.146 33 HH TYR 3 HH TYR 3 -9.195 6.033 0.768 34 H GLY 4 H GLY 4 -13.205 4.724 -3.640 35 1HA GLY 4 2HA GLY 4 -11.118 5.041 -4.799 36 2HA GLY 4 1HA GLY 4 -11.750 6.430 -5.639 37 H ASN 5 H ASN 5 -14.301 4.694 -6.167 38 HA ASN 5 HA ASN 5 -15.067 2.815 -7.230 39 1HB ASN 5 1HB ASN 5 -13.428 4.412 -9.203 40 2HB ASN 5 2HB ASN 5 -14.487 3.086 -9.752 41 1HD2 ASN 5 1HD2 ASN 5 -14.386 6.435 -9.086 42 2HD2 ASN 5 2HD2 ASN 5 -16.121 6.669 -9.042 43 H GLY 6 H GLY 6 -13.148 2.037 -5.639 44 1HA GLY 6 2HA GLY 6 -10.990 0.517 -6.891 45 2HA GLY 6 1HA GLY 6 -12.298 -0.526 -6.332 46 H VAL 7 H VAL 7 -11.963 2.197 -4.256 47 HA VAL 7 HA VAL 7 -10.142 0.987 -2.302 48 HB VAL 7 HB VAL 7 -10.879 2.564 -0.714 49 1HG1 VAL 7 3HG1 VAL 7 -10.207 3.603 -3.360 50 2HG1 VAL 7 1HG1 VAL 7 -11.238 4.724 -2.470 51 3HG1 VAL 7 2HG1 VAL 7 -9.755 4.175 -1.732 52 1HG2 VAL 7 1HG2 VAL 7 -13.349 2.962 -2.369 53 2HG2 VAL 7 2HG2 VAL 7 -13.182 2.342 -0.707 54 3HG2 VAL 7 3HG2 VAL 7 -12.861 4.031 -1.021 55 H HIS 8 H HIS 8 -10.919 0.312 -0.199 56 HA HIS 8 HA HIS 8 -13.543 -1.052 -0.074 57 1HB HIS 8 1HB HIS 8 -12.212 -3.280 0.418 58 2HB HIS 8 2HB HIS 8 -12.360 -2.737 -1.257 59 HD1 HIS 8 HD1 HIS 8 -9.814 -2.138 1.551 60 HD2 HIS 8 HD2 HIS 8 -10.185 -2.277 -2.620 61 HE1 HIS 8 HE1 HIS 8 -7.596 -1.318 0.574 62 HE2 HIS 8 HE2 HIS 8 -7.805 -1.490 -1.942 63 H CYS 9 H CYS 9 -13.921 0.405 1.667 64 HA CYS 9 HA CYS 9 -12.340 0.568 4.035 65 1HB CYS 9 1HB CYS 9 -15.301 1.053 3.547 66 2HB CYS 9 2HB CYS 9 -14.460 1.438 5.044 67 H GLY 10 H GLY 10 -14.748 -1.916 3.161 68 1HA GLY 10 2HA GLY 10 -14.157 -3.673 5.337 69 2HA GLY 10 1HA GLY 10 -15.610 -3.698 4.323 70 H LYS 11 H LYS 11 -14.333 -2.774 7.364 71 HA LYS 11 HA LYS 11 -16.909 -1.636 8.369 72 1HB LYS 11 1HB LYS 11 -14.433 -2.612 9.824 73 2HB LYS 11 2HB LYS 11 -15.790 -1.784 10.607 74 1HG LYS 11 1HG LYS 11 -17.333 -3.544 9.750 75 2HG LYS 11 2HG LYS 11 -15.961 -4.432 9.063 76 1HD LYS 11 1HD LYS 11 -16.332 -3.871 12.031 77 2HD LYS 11 2HD LYS 11 -16.785 -5.351 11.181 78 1HE LYS 11 1HE LYS 11 -14.466 -5.709 10.458 79 2HE LYS 11 2HE LYS 11 -13.963 -4.248 11.302 80 1HZ LYS 11 1HZ LYS 11 -14.724 -5.279 13.386 81 2HZ LYS 11 3HZ LYS 11 -15.098 -6.666 12.635 82 3HZ LYS 11 2HZ LYS 11 -13.557 -6.182 12.678 83 H HIS 12 H HIS 12 -13.480 -0.815 8.896 84 HA HIS 12 HA HIS 12 -13.909 1.969 7.967 85 1HB HIS 12 1HB HIS 12 -13.044 2.964 9.983 86 2HB HIS 12 2HB HIS 12 -14.432 1.983 10.381 87 HD1 HIS 12 HD1 HIS 12 -10.623 2.107 10.879 88 HD2 HIS 12 HD2 HIS 12 -14.015 -0.123 12.019 89 HE1 HIS 12 HE1 HIS 12 -9.888 0.614 12.838 90 HE2 HIS 12 HE2 HIS 12 -11.966 -0.768 13.510 91 H SER 13 H SER 13 -12.104 -0.539 7.384 92 HA SER 13 HA SER 13 -9.322 0.347 7.613 93 1HB SER 13 1HB SER 13 -10.556 -2.040 6.210 94 2HB SER 13 2HB SER 13 -8.852 -1.831 6.583 95 HG SER 13 HG SER 13 -9.385 -1.883 8.788 96 H CYS 14 H CYS 14 -10.677 2.288 6.179 97 HA CYS 14 HA CYS 14 -10.885 1.934 3.374 98 1HB CYS 14 1HB CYS 14 -10.510 4.480 4.980 99 2HB CYS 14 2HB CYS 14 -11.025 4.380 3.303 100 H THR 15 H THR 15 -9.201 1.385 2.090 101 HA THR 15 HA THR 15 -7.399 3.498 1.459 102 HB THR 15 HB THR 15 -5.978 2.214 3.061 103 HG1 THR 15 HG1 THR 15 -4.233 2.395 1.860 104 1HG2 THR 15 1HG2 THR 15 -6.771 -0.101 2.490 105 2HG2 THR 15 3HG2 THR 15 -5.897 0.040 0.935 106 3HG2 THR 15 2HG2 THR 15 -5.025 0.077 2.467 107 H VAL 16 H VAL 16 -6.168 2.947 -0.562 108 HA VAL 16 HA VAL 16 -8.296 2.734 -2.422 109 HB VAL 16 HB VAL 16 -5.399 3.230 -3.158 110 1HG1 VAL 16 1HG1 VAL 16 -8.037 4.059 -4.368 111 2HG1 VAL 16 2HG1 VAL 16 -6.519 4.899 -4.728 112 3HG1 VAL 16 3HG1 VAL 16 -6.663 3.202 -5.150 113 1HG2 VAL 16 3HG2 VAL 16 -7.405 5.249 -2.048 114 2HG2 VAL 16 1HG2 VAL 16 -5.888 4.745 -1.259 115 3HG2 VAL 16 2HG2 VAL 16 -5.824 5.645 -2.746 116 H ASP 17 H ASP 17 -7.997 1.809 -4.645 117 HA ASP 17 HA ASP 17 -7.914 -0.977 -4.929 118 1HB ASP 17 1HB ASP 17 -8.835 0.610 -6.508 119 2HB ASP 17 2HB ASP 17 -7.209 1.214 -6.882 120 H TRP 18 H TRP 18 -5.176 1.090 -4.541 121 HA TRP 18 HA TRP 18 -3.107 -0.571 -5.706 122 1HB TRP 18 1HB TRP 18 -1.557 0.892 -4.631 123 2HB TRP 18 2HB TRP 18 -2.822 1.800 -5.398 124 HD1 TRP 18 HD1 TRP 18 -4.152 0.648 -2.123 125 HE1 TRP 18 HE1 TRP 18 -3.983 2.387 -0.388 126 HE3 TRP 18 HE3 TRP 18 -0.983 3.917 -4.542 127 HZ2 TRP 18 HZ2 TRP 18 -2.696 4.976 0.018 128 HZ3 TRP 18 HZ3 TRP 18 -0.351 6.043 -3.446 129 HH2 TRP 18 HH2 TRP 18 -1.174 6.589 -1.172 130 H GLY 19 H GLY 19 -4.952 -1.310 -3.099 131 1HA GLY 19 2HA GLY 19 -4.851 -3.163 -1.665 132 2HA GLY 19 1HA GLY 19 -3.744 -2.031 -0.872 133 H THR 20 H THR 20 -3.430 -4.272 -3.695 134 HA THR 20 HA THR 20 -1.539 -5.983 -2.222 135 HB THR 20 HB THR 20 -1.333 -7.206 -4.382 136 HG1 THR 20 HG1 THR 20 -2.924 -6.579 -5.993 137 1HG2 THR 20 3HG2 THR 20 -3.083 -7.732 -2.654 138 2HG2 THR 20 2HG2 THR 20 -4.241 -6.728 -3.576 139 3HG2 THR 20 1HG2 THR 20 -3.549 -8.184 -4.307 140 H ALA 21 H ALA 21 -1.178 -3.367 -4.554 141 HA ALA 21 HA ALA 21 1.594 -3.824 -5.149 142 1HB ALA 21 2HB ALA 21 1.600 -1.598 -6.039 143 2HB ALA 21 1HB ALA 21 0.030 -1.219 -5.272 144 3HB ALA 21 3HB ALA 21 0.138 -2.451 -6.539 145 H ILE 22 H ILE 22 -0.057 -1.573 -2.720 146 HA ILE 22 HA ILE 22 2.382 -0.851 -1.497 147 HB ILE 22 HB ILE 22 1.014 0.055 0.232 148 1HG1 ILE 22 1HG1 ILE 22 -1.512 -1.015 -1.086 149 2HG1 ILE 22 2HG1 ILE 22 -0.752 -1.800 0.306 150 1HG2 ILE 22 1HG2 ILE 22 1.297 1.183 -2.027 151 2HG2 ILE 22 2HG2 ILE 22 -0.319 0.642 -2.449 152 3HG2 ILE 22 3HG2 ILE 22 -0.088 1.748 -1.072 153 1HD1 ILE 22 3HD1 ILE 22 -1.807 1.055 0.326 154 2HD1 ILE 22 1HD1 ILE 22 -2.591 -0.380 1.025 155 3HD1 ILE 22 2HD1 ILE 22 -1.033 0.191 1.669 156 H GLY 23 H GLY 23 0.274 -3.669 -1.045 157 1HA GLY 23 2HA GLY 23 0.611 -5.629 0.078 158 2HA GLY 23 1HA GLY 23 1.409 -4.711 1.358 159 H ASN 24 H ASN 24 2.197 -5.439 -2.065 160 HA ASN 24 HA ASN 24 4.463 -7.079 -1.616 161 1HB ASN 24 1HB ASN 24 3.235 -6.959 -3.781 162 2HB ASN 24 2HB ASN 24 3.701 -5.278 -3.971 163 1HD2 ASN 24 1HD2 ASN 24 4.969 -8.626 -3.848 164 2HD2 ASN 24 2HD2 ASN 24 6.433 -8.240 -4.736 165 H ILE 25 H ILE 25 4.302 -3.555 -2.172 166 HA ILE 25 HA ILE 25 7.095 -3.002 -2.034 167 HB ILE 25 HB ILE 25 4.625 -1.308 -1.541 168 1HG1 ILE 25 1HG1 ILE 25 6.707 -1.316 -3.802 169 2HG1 ILE 25 2HG1 ILE 25 5.205 -2.199 -3.895 170 1HG2 ILE 25 1HG2 ILE 25 7.550 -0.447 -1.563 171 2HG2 ILE 25 2HG2 ILE 25 6.185 0.674 -1.673 172 3HG2 ILE 25 3HG2 ILE 25 6.415 -0.285 -0.207 173 1HD1 ILE 25 3HD1 ILE 25 3.926 -0.095 -3.669 174 2HD1 ILE 25 1HD1 ILE 25 5.467 0.832 -3.784 175 3HD1 ILE 25 2HD1 ILE 25 4.932 -0.196 -5.115 176 H GLY 26 H GLY 26 4.617 -2.803 0.612 177 1HA GLY 26 2HA GLY 26 4.764 -2.885 2.864 178 2HA GLY 26 1HA GLY 26 6.333 -2.076 2.719 179 H ASN 27 H ASN 27 5.353 -5.306 1.630 180 HA ASN 27 HA ASN 27 6.747 -6.895 3.568 181 1HB ASN 27 1HB ASN 27 5.060 -7.843 2.111 182 2HB ASN 27 2HB ASN 27 5.986 -7.442 0.682 183 1HD2 ASN 27 1HD2 ASN 27 7.594 -8.893 -0.043 184 2HD2 ASN 27 2HD2 ASN 27 8.005 -10.357 0.838 185 H ASN 28 H ASN 28 7.857 -5.654 0.379 186 HA ASN 28 HA ASN 28 10.557 -6.682 0.734 187 1HB ASN 28 1HB ASN 28 9.198 -4.868 -1.288 188 2HB ASN 28 2HB ASN 28 10.947 -5.108 -1.316 189 1HD2 ASN 28 1HD2 ASN 28 7.857 -6.700 -2.005 190 2HD2 ASN 28 2HD2 ASN 28 8.630 -8.109 -2.724 191 H ALA 29 H ALA 29 9.143 -3.537 1.543 192 HA ALA 29 HA ALA 29 11.581 -2.241 2.375 193 1HB ALA 29 1HB ALA 29 10.116 -0.913 3.803 194 2HB ALA 29 3HB ALA 29 8.779 -2.027 3.522 195 3HB ALA 29 2HB ALA 29 9.447 -1.059 2.174 196 H ALA 30 H ALA 30 9.368 -4.415 4.222 197 HA ALA 30 HA ALA 30 11.037 -4.576 6.531 198 1HB ALA 30 1HB ALA 30 8.960 -6.552 5.470 199 2HB ALA 30 3HB ALA 30 8.642 -5.115 6.471 200 3HB ALA 30 2HB ALA 30 9.586 -6.460 7.119 201 H ALA 31 H ALA 31 11.055 -6.468 3.547 202 HA ALA 31 HA ALA 31 12.977 -8.428 4.511 203 1HB ALA 31 1HB ALA 31 11.242 -8.872 2.738 204 2HB ALA 31 2HB ALA 31 12.214 -7.869 1.636 205 3HB ALA 31 3HB ALA 31 12.888 -9.356 2.328 206 H ASN 32 H ASN 32 13.398 -5.381 2.742 207 HA ASN 32 HA ASN 32 16.307 -6.029 2.359 208 1HB ASN 32 1HB ASN 32 14.549 -4.306 0.613 209 2HB ASN 32 2HB ASN 32 16.236 -4.737 0.350 210 1HD2 ASN 32 1HD2 ASN 32 12.996 -5.699 -0.043 211 2HD2 ASN 32 2HD2 ASN 32 13.310 -7.198 -0.930 212 H TRP 33 H TRP 33 14.188 -3.540 3.604 213 HA TRP 33 HA TRP 33 16.507 -1.660 3.812 214 1HB TRP 33 1HB TRP 33 13.667 -1.094 2.957 215 2HB TRP 33 2HB TRP 33 14.865 0.141 3.319 216 HD1 TRP 33 HD1 TRP 33 17.290 -0.268 1.973 217 HE1 TRP 33 HE1 TRP 33 17.666 -0.597 -0.561 218 HE3 TRP 33 HE3 TRP 33 12.637 -1.883 0.720 219 HZ2 TRP 33 HZ2 TRP 33 16.093 -1.474 -2.832 220 HZ3 TRP 33 HZ3 TRP 33 12.070 -2.472 -1.624 221 HH2 TRP 33 HH2 TRP 33 13.825 -2.270 -3.428 222 H ALA 34 H ALA 34 13.703 -2.858 5.607 223 HA ALA 34 HA ALA 34 13.873 -1.098 7.833 224 1HB ALA 34 2HB ALA 34 11.999 -2.585 7.371 225 2HB ALA 34 3HB ALA 34 13.022 -4.022 7.671 226 3HB ALA 34 1HB ALA 34 12.669 -2.861 8.991 227 H THR 35 H THR 35 16.200 -3.281 6.765 228 HA THR 35 HA THR 35 17.582 -3.950 9.204 229 HB THR 35 HB THR 35 19.538 -4.268 7.665 230 HG1 THR 35 HG1 THR 35 19.155 -3.908 5.465 231 1HG2 THR 35 2HG2 THR 35 17.841 -6.078 7.957 232 2HG2 THR 35 1HG2 THR 35 16.912 -5.427 6.574 233 3HG2 THR 35 3HG2 THR 35 18.516 -6.091 6.314 234 H GLY 36 H GLY 36 17.215 -0.961 7.536 235 1HA GLY 36 2HA GLY 36 19.645 0.250 8.839 236 2HA GLY 36 1HA GLY 36 18.054 1.021 8.898 237 H GLY 37 H GLY 37 18.254 -0.354 5.896 238 1HA GLY 37 2HA GLY 37 18.918 0.385 3.763 239 2HA GLY 37 1HA GLY 37 19.769 1.729 4.468 240 H ASN 38 H ASN 38 18.397 2.317 2.287 241 HA ASN 38 HA ASN 38 15.850 3.672 3.086 242 1HB ASN 38 1HB ASN 38 18.158 4.833 1.479 243 2HB ASN 38 2HB ASN 38 16.606 5.585 1.688 244 1HD2 ASN 38 1HD2 ASN 38 19.716 5.412 2.980 245 2HD2 ASN 38 2HD2 ASN 38 19.337 6.171 4.534 246 H ALA 39 H ALA 39 14.256 2.756 1.943 247 HA ALA 39 HA ALA 39 14.604 1.249 -0.442 248 1HB ALA 39 2HB ALA 39 12.133 1.174 -0.431 249 2HB ALA 39 3HB ALA 39 12.780 0.903 1.201 250 3HB ALA 39 1HB ALA 39 12.077 2.472 0.769 251 H GLY 40 H GLY 40 13.730 1.573 -2.520 252 1HA GLY 40 2HA GLY 40 13.731 2.786 -4.537 253 2HA GLY 40 1HA GLY 40 13.874 4.294 -3.680 254 H TRP 41 H TRP 41 11.490 3.230 -1.932 255 HA TRP 41 HA TRP 41 9.243 3.704 -3.833 256 1HB TRP 41 1HB TRP 41 9.925 1.393 -2.039 257 2HB TRP 41 2HB TRP 41 8.250 1.727 -2.166 258 HD1 TRP 41 HD1 TRP 41 8.629 2.501 -5.412 259 HE1 TRP 41 HE1 TRP 41 8.426 0.516 -7.027 260 HE3 TRP 41 HE3 TRP 41 9.860 -1.193 -2.155 261 HZ2 TRP 41 HZ2 TRP 41 8.848 -2.375 -6.909 262 HZ3 TRP 41 HZ3 TRP 41 10.006 -3.572 -2.942 263 HH2 TRP 41 HH2 TRP 41 9.505 -4.141 -5.302 264 H ASN 42 H ASN 42 7.155 4.692 -1.031 265 HA ASN 42 HA ASN 42 6.696 2.798 -3.097 266 1HB ASN 42 1HB ASN 42 5.008 5.196 -2.300 267 2HB ASN 42 2HB ASN 42 4.468 3.826 -3.284 268 1HD2 ASN 42 1HD2 ASN 42 3.672 2.020 -2.268 269 2HD2 ASN 42 2HD2 ASN 42 3.700 1.825 -0.516 270 H LYS 43 H LYS 43 5.670 3.121 -5.185 271 HA LYS 43 HA LYS 43 7.320 4.664 -7.011 272 1HB LYS 43 1HB LYS 43 5.908 3.611 -8.730 273 2HB LYS 43 2HB LYS 43 6.647 2.459 -7.606 274 1HG LYS 43 1HG LYS 43 4.521 2.082 -6.488 275 2HG LYS 43 2HG LYS 43 3.751 3.379 -7.399 276 1HD LYS 43 1HD LYS 43 4.114 2.084 -9.520 277 2HD LYS 43 2HD LYS 43 4.942 0.824 -8.599 278 1HE LYS 43 1HE LYS 43 2.905 0.428 -7.263 279 2HE LYS 43 2HE LYS 43 2.055 1.709 -8.147 280 1HZ LYS 43 1HZ LYS 43 2.395 0.391 -10.200 281 2HZ LYS 43 3HZ LYS 43 3.090 -0.785 -9.316 282 3HZ LYS 43 2HZ LYS 43 1.497 -0.411 -9.087 No H/Q in entry = 282 Start of MODEL 5 1 H1 LYS 1 1H LYS 1 -10.923 7.790 -3.768 2 H2 LYS 1 3H LYS 1 -12.238 8.454 -4.498 3 H3 LYS 1 2H LYS 1 -11.607 9.126 -3.149 4 HA LYS 1 HA LYS 1 -12.149 7.316 -1.777 5 1HB LYS 1 1HB LYS 1 -13.807 9.142 -2.046 6 2HB LYS 1 2HB LYS 1 -14.578 8.252 -3.349 7 1HG LYS 1 1HG LYS 1 -15.858 7.983 -1.328 8 2HG LYS 1 2HG LYS 1 -15.176 6.421 -1.747 9 1HD LYS 1 1HD LYS 1 -13.534 6.561 0.024 10 2HD LYS 1 2HD LYS 1 -13.899 8.291 0.306 11 1HE LYS 1 1HE LYS 1 -16.325 7.492 0.778 12 2HE LYS 1 2HE LYS 1 -15.632 5.867 0.893 13 1HZ LYS 1 1HZ LYS 1 -14.036 6.925 2.553 14 2HZ LYS 1 3HZ LYS 1 -14.985 8.225 2.543 15 3HZ LYS 1 2HZ LYS 1 -15.603 6.786 3.055 16 H TYR 2 H TYR 2 -14.330 6.544 -4.500 17 HA TYR 2 HA TYR 2 -14.088 3.705 -3.876 18 1HB TYR 2 1HB TYR 2 -15.654 5.022 -6.101 19 2HB TYR 2 2HB TYR 2 -15.961 3.472 -5.347 20 HD1 TYR 2 HD1 TYR 2 -16.654 3.419 -2.850 21 HD2 TYR 2 HD2 TYR 2 -16.789 6.952 -5.316 22 HE1 TYR 2 HE1 TYR 2 -18.219 4.496 -1.227 23 HE2 TYR 2 HE2 TYR 2 -18.408 7.997 -3.713 24 HH TYR 2 HH TYR 2 -19.605 7.738 -1.815 25 H TYR 3 H TYR 3 -11.575 4.493 -4.793 26 HA TYR 3 HA TYR 3 -11.246 4.511 -7.614 27 1HB TYR 3 1HB TYR 3 -8.949 4.667 -7.259 28 2HB TYR 3 2HB TYR 3 -9.671 5.460 -5.882 29 HD1 TYR 3 HD1 TYR 3 -7.589 2.684 -7.032 30 HD2 TYR 3 HD2 TYR 3 -9.682 4.299 -3.659 31 HE1 TYR 3 HE1 TYR 3 -6.301 1.166 -5.529 32 HE2 TYR 3 HE2 TYR 3 -8.367 2.827 -2.131 33 HH TYR 3 HH TYR 3 -5.852 0.579 -3.372 34 H GLY 4 H GLY 4 -10.689 1.859 -5.366 35 1HA GLY 4 2HA GLY 4 -10.548 -0.443 -5.602 36 2HA GLY 4 1HA GLY 4 -10.213 -0.251 -7.316 37 H ASN 5 H ASN 5 -12.632 1.212 -7.904 38 HA ASN 5 HA ASN 5 -14.731 1.061 -8.579 39 1HB ASN 5 1HB ASN 5 -13.965 -0.987 -9.645 40 2HB ASN 5 2HB ASN 5 -14.404 -1.937 -8.238 41 1HD2 ASN 5 1HD2 ASN 5 -16.302 -3.056 -8.545 42 2HD2 ASN 5 2HD2 ASN 5 -17.633 -2.421 -9.505 43 H GLY 6 H GLY 6 -14.467 -1.141 -5.781 44 1HA GLY 6 2HA GLY 6 -16.490 -1.672 -4.465 45 2HA GLY 6 1HA GLY 6 -17.031 -0.023 -4.640 46 H VAL 7 H VAL 7 -13.767 0.170 -4.044 47 HA VAL 7 HA VAL 7 -13.655 -0.497 -1.252 48 HB VAL 7 HB VAL 7 -11.412 0.425 -1.252 49 1HG1 VAL 7 3HG1 VAL 7 -11.748 -1.797 -2.177 50 2HG1 VAL 7 1HG1 VAL 7 -12.018 -1.119 -3.794 51 3HG1 VAL 7 2HG1 VAL 7 -10.426 -0.944 -3.011 52 1HG2 VAL 7 3HG2 VAL 7 -12.129 1.565 -3.978 53 2HG2 VAL 7 1HG2 VAL 7 -11.578 2.447 -2.538 54 3HG2 VAL 7 2HG2 VAL 7 -10.459 1.364 -3.369 55 H HIS 8 H HIS 8 -12.680 1.043 0.342 56 HA HIS 8 HA HIS 8 -14.216 3.571 0.541 57 1HB HIS 8 1HB HIS 8 -15.157 2.517 2.773 58 2HB HIS 8 2HB HIS 8 -15.950 2.181 1.250 59 HD1 HIS 8 HD1 HIS 8 -13.102 0.490 3.238 60 HD2 HIS 8 HD2 HIS 8 -16.125 -0.286 0.450 61 HE1 HIS 8 HE1 HIS 8 -12.894 -1.978 2.640 62 HE2 HIS 8 HE2 HIS 8 -14.840 -2.494 1.026 63 H CYS 9 H CYS 9 -12.346 4.725 0.839 64 HA CYS 9 HA CYS 9 -10.936 4.355 3.445 65 1HB CYS 9 1HB CYS 9 -9.851 4.596 0.668 66 2HB CYS 9 2HB CYS 9 -8.925 5.282 1.995 67 H GLY 10 H GLY 10 -9.454 6.213 3.923 68 1HA GLY 10 2HA GLY 10 -10.926 8.334 4.930 69 2HA GLY 10 1HA GLY 10 -10.288 8.923 3.396 70 H LYS 11 H LYS 11 -9.292 10.376 5.226 71 HA LYS 11 HA LYS 11 -6.520 9.929 5.076 72 1HB LYS 11 1HB LYS 11 -6.244 12.061 6.189 73 2HB LYS 11 2HB LYS 11 -7.569 12.124 5.034 74 1HG LYS 11 1HG LYS 11 -9.223 11.931 6.882 75 2HG LYS 11 2HG LYS 11 -7.902 11.761 8.042 76 1HD LYS 11 1HD LYS 11 -8.681 13.996 8.184 77 2HD LYS 11 2HD LYS 11 -7.081 14.053 7.432 78 1HE LYS 11 1HE LYS 11 -8.132 14.225 5.207 79 2HE LYS 11 2HE LYS 11 -9.727 14.213 5.933 80 1HZ LYS 11 2HZ LYS 11 -9.087 16.267 7.138 81 2HZ LYS 11 1HZ LYS 11 -7.638 16.296 6.391 82 3HZ LYS 11 3HZ LYS 11 -9.002 16.507 5.532 83 H HIS 12 H HIS 12 -8.523 8.784 7.572 84 HA HIS 12 HA HIS 12 -6.330 8.606 9.556 85 1HB HIS 12 1HB HIS 12 -9.268 7.848 9.722 86 2HB HIS 12 2HB HIS 12 -8.106 7.802 11.074 87 HD1 HIS 12 HD1 HIS 12 -6.952 10.368 11.624 88 HD2 HIS 12 HD2 HIS 12 -10.592 10.052 9.483 89 HE1 HIS 12 HE1 HIS 12 -8.057 12.679 11.723 90 HE2 HIS 12 HE2 HIS 12 -10.278 12.492 10.453 91 H SER 13 H SER 13 -8.740 6.085 9.079 92 HA SER 13 HA SER 13 -6.686 4.008 8.512 93 1HB SER 13 1HB SER 13 -8.511 4.030 10.969 94 2HB SER 13 2HB SER 13 -7.448 2.705 10.460 95 HG SER 13 HG SER 13 -6.452 3.993 12.049 96 H CYS 14 H CYS 14 -7.457 2.694 7.077 97 HA CYS 14 HA CYS 14 -10.325 1.984 6.909 98 1HB CYS 14 1HB CYS 14 -10.435 2.485 4.559 99 2HB CYS 14 2HB CYS 14 -9.997 3.924 5.461 100 H THR 15 H THR 15 -10.471 0.501 4.744 101 HA THR 15 HA THR 15 -8.291 -1.404 4.472 102 HB THR 15 HB THR 15 -9.479 -2.388 6.341 103 HG1 THR 15 HG1 THR 15 -9.824 -4.372 5.370 104 1HG2 THR 15 3HG2 THR 15 -11.785 -1.496 5.891 105 2HG2 THR 15 2HG2 THR 15 -11.915 -2.615 4.513 106 3HG2 THR 15 1HG2 THR 15 -11.749 -3.246 6.163 107 H VAL 16 H VAL 16 -8.601 -2.800 2.531 108 HA VAL 16 HA VAL 16 -10.174 -1.465 0.453 109 HB VAL 16 HB VAL 16 -7.347 -1.273 -0.282 110 1HG1 VAL 16 2HG1 VAL 16 -9.561 0.789 0.133 111 2HG1 VAL 16 3HG1 VAL 16 -7.992 1.126 -0.606 112 3HG1 VAL 16 1HG1 VAL 16 -9.084 -0.013 -1.403 113 1HG2 VAL 16 2HG2 VAL 16 -6.828 -0.959 2.097 114 2HG2 VAL 16 3HG2 VAL 16 -6.551 0.490 1.100 115 3HG2 VAL 16 1HG2 VAL 16 -7.960 0.408 2.167 116 H ASP 17 H ASP 17 -9.794 -2.300 -1.704 117 HA ASP 17 HA ASP 17 -9.199 -5.199 -1.743 118 1HB ASP 17 1HB ASP 17 -11.223 -4.235 -2.773 119 2HB ASP 17 2HB ASP 17 -10.207 -3.355 -3.934 120 H TRP 18 H TRP 18 -6.917 -4.429 -1.116 121 HA TRP 18 HA TRP 18 -5.180 -3.963 -3.512 122 1HB TRP 18 1HB TRP 18 -3.975 -2.355 -2.383 123 2HB TRP 18 2HB TRP 18 -5.670 -1.943 -2.221 124 HD1 TRP 18 HD1 TRP 18 -5.374 -4.430 0.368 125 HE1 TRP 18 HE1 TRP 18 -4.805 -3.509 2.587 126 HE3 TRP 18 HE3 TRP 18 -3.850 0.209 -1.127 127 HZ2 TRP 18 HZ2 TRP 18 -3.686 -1.024 3.689 128 HZ3 TRP 18 HZ3 TRP 18 -3.067 1.877 0.557 129 HH2 TRP 18 HH2 TRP 18 -2.957 1.248 2.951 130 H GLY 19 H GLY 19 -5.720 -6.393 -1.470 131 1HA GLY 19 2HA GLY 19 -4.477 -8.131 -0.548 132 2HA GLY 19 1HA GLY 19 -3.488 -6.817 0.098 133 H THR 20 H THR 20 -3.687 -7.588 -3.357 134 HA THR 20 HA THR 20 -1.183 -9.066 -3.473 135 HB THR 20 HB THR 20 -1.488 -8.758 -5.943 136 HG1 THR 20 HG1 THR 20 -3.241 -7.750 -6.640 137 1HG2 THR 20 1HG2 THR 20 -2.393 -10.731 -4.733 138 2HG2 THR 20 3HG2 THR 20 -3.924 -9.843 -4.473 139 3HG2 THR 20 2HG2 THR 20 -3.411 -10.252 -6.120 140 H ALA 21 H ALA 21 -2.046 -5.681 -3.862 141 HA ALA 21 HA ALA 21 0.555 -4.820 -4.869 142 1HB ALA 21 3HB ALA 21 -1.534 -3.165 -3.370 143 2HB ALA 21 2HB ALA 21 -1.571 -3.522 -5.128 144 3HB ALA 21 1HB ALA 21 -0.213 -2.611 -4.404 145 H ILE 22 H ILE 22 -0.969 -5.156 -1.667 146 HA ILE 22 HA ILE 22 1.293 -4.210 -0.133 147 HB ILE 22 HB ILE 22 -0.931 -6.057 0.771 148 1HG1 ILE 22 1HG1 ILE 22 -1.959 -4.063 -0.057 149 2HG1 ILE 22 2HG1 ILE 22 -1.996 -4.038 1.696 150 1HG2 ILE 22 2HG2 ILE 22 1.046 -4.370 2.365 151 2HG2 ILE 22 3HG2 ILE 22 -0.391 -5.158 3.040 152 3HG2 ILE 22 1HG2 ILE 22 0.912 -6.143 2.351 153 1HD1 ILE 22 3HD1 ILE 22 -0.085 -2.422 -0.056 154 2HD1 ILE 22 1HD1 ILE 22 -1.520 -1.824 0.766 155 3HD1 ILE 22 2HD1 ILE 22 -0.151 -2.367 1.730 156 H GLY 23 H GLY 23 0.352 -7.481 -1.244 157 1HA GLY 23 2HA GLY 23 1.649 -9.350 -1.620 158 2HA GLY 23 1HA GLY 23 2.541 -8.957 -0.141 159 H ASN 24 H ASN 24 2.233 -7.294 -3.330 160 HA ASN 24 HA ASN 24 4.860 -7.751 -4.222 161 1HB ASN 24 1HB ASN 24 3.043 -7.023 -5.686 162 2HB ASN 24 2HB ASN 24 2.926 -5.496 -4.867 163 1HD2 ASN 24 1HD2 ASN 24 4.185 -3.789 -5.664 164 2HD2 ASN 24 2HD2 ASN 24 5.464 -4.037 -6.839 165 H ILE 25 H ILE 25 3.645 -4.993 -2.267 166 HA ILE 25 HA ILE 25 6.057 -3.562 -1.985 167 HB ILE 25 HB ILE 25 3.547 -3.765 -0.352 168 1HG1 ILE 25 1HG1 ILE 25 4.973 -1.264 -1.352 169 2HG1 ILE 25 2HG1 ILE 25 4.087 -2.278 -2.479 170 1HG2 ILE 25 3HG2 ILE 25 6.047 -2.348 0.657 171 2HG2 ILE 25 1HG2 ILE 25 4.396 -2.052 1.262 172 3HG2 ILE 25 2HG2 ILE 25 5.128 -3.631 1.470 173 1HD1 ILE 25 1HD1 ILE 25 2.029 -2.041 -1.196 174 2HD1 ILE 25 2HD1 ILE 25 2.860 -0.985 -0.031 175 3HD1 ILE 25 3HD1 ILE 25 2.646 -0.477 -1.729 176 H GLY 26 H GLY 26 4.845 -6.233 0.108 177 1HA GLY 26 2HA GLY 26 5.916 -7.640 1.569 178 2HA GLY 26 1HA GLY 26 6.994 -6.301 1.953 179 H ASN 27 H ASN 27 6.485 -8.257 -0.987 180 HA ASN 27 HA ASN 27 8.985 -9.697 -0.790 181 1HB ASN 27 1HB ASN 27 6.955 -9.307 -3.042 182 2HB ASN 27 2HB ASN 27 8.419 -10.239 -3.263 183 1HD2 ASN 27 1HD2 ASN 27 5.344 -10.197 -1.546 184 2HD2 ASN 27 2HD2 ASN 27 5.436 -11.888 -1.038 185 H ASN 28 H ASN 28 8.113 -6.801 -2.723 186 HA ASN 28 HA ASN 28 10.765 -6.703 -3.923 187 1HB ASN 28 1HB ASN 28 8.599 -5.931 -4.971 188 2HB ASN 28 2HB ASN 28 8.583 -4.556 -3.855 189 1HD2 ASN 28 1HD2 ASN 28 10.712 -6.197 -6.296 190 2HD2 ASN 28 2HD2 ASN 28 11.333 -4.682 -6.948 191 H ALA 29 H ALA 29 9.383 -5.135 -1.075 192 HA ALA 29 HA ALA 29 11.699 -3.521 -0.442 193 1HB ALA 29 2HB ALA 29 9.527 -3.293 0.732 194 2HB ALA 29 1HB ALA 29 10.845 -3.598 1.839 195 3HB ALA 29 3HB ALA 29 9.723 -4.912 1.423 196 H ALA 30 H ALA 30 10.952 -6.978 0.283 197 HA ALA 30 HA ALA 30 13.465 -7.492 1.583 198 1HB ALA 30 2HB ALA 30 11.634 -9.392 0.107 199 2HB ALA 30 3HB ALA 30 12.874 -9.866 1.275 200 3HB ALA 30 1HB ALA 30 11.459 -8.912 1.813 201 H ALA 31 H ALA 31 12.587 -7.377 -1.842 202 HA ALA 31 HA ALA 31 15.021 -8.585 -2.780 203 1HB ALA 31 2HB ALA 31 12.907 -8.620 -4.037 204 2HB ALA 31 3HB ALA 31 13.005 -6.855 -4.276 205 3HB ALA 31 1HB ALA 31 14.225 -7.940 -4.984 206 H ASN 32 H ASN 32 14.131 -5.217 -2.230 207 HA ASN 32 HA ASN 32 16.809 -4.298 -3.226 208 1HB ASN 32 1HB ASN 32 14.024 -3.174 -3.681 209 2HB ASN 32 2HB ASN 32 15.492 -2.278 -4.052 210 1HD2 ASN 32 1HD2 ASN 32 13.250 -4.621 -5.240 211 2HD2 ASN 32 2HD2 ASN 32 14.187 -5.007 -6.674 212 H TRP 33 H TRP 33 14.786 -4.076 -0.448 213 HA TRP 33 HA TRP 33 16.360 -1.758 0.617 214 1HB TRP 33 1HB TRP 33 13.375 -2.181 0.587 215 2HB TRP 33 2HB TRP 33 14.168 -1.122 1.740 216 HD1 TRP 33 HD1 TRP 33 15.434 1.006 0.843 217 HE1 TRP 33 HE1 TRP 33 14.998 2.526 -1.207 218 HE3 TRP 33 HE3 TRP 33 12.499 -2.168 -1.948 219 HZ2 TRP 33 HZ2 TRP 33 13.635 2.324 -3.742 220 HZ3 TRP 33 HZ3 TRP 33 11.711 -1.479 -4.149 221 HH2 TRP 33 HH2 TRP 33 12.238 0.774 -5.063 222 H ALA 34 H ALA 34 16.117 -4.942 1.121 223 HA ALA 34 HA ALA 34 15.134 -5.423 3.640 224 1HB ALA 34 2HB ALA 34 17.535 -6.719 2.267 225 2HB ALA 34 3HB ALA 34 16.545 -7.450 3.547 226 3HB ALA 34 1HB ALA 34 15.846 -7.113 1.954 227 H THR 35 H THR 35 18.238 -3.840 3.045 228 HA THR 35 HA THR 35 19.333 -4.195 5.687 229 HB THR 35 HB THR 35 20.829 -2.288 4.984 230 HG1 THR 35 HG1 THR 35 20.756 -1.751 2.784 231 1HG2 THR 35 1HG2 THR 35 21.442 -4.660 4.656 232 2HG2 THR 35 3HG2 THR 35 20.709 -4.616 3.023 233 3HG2 THR 35 2HG2 THR 35 22.110 -3.589 3.405 234 H GLY 36 H GLY 36 16.816 -2.211 4.535 235 1HA GLY 36 2HA GLY 36 16.859 0.216 5.704 236 2HA GLY 36 1HA GLY 36 16.422 -0.796 7.086 237 H GLY 37 H GLY 37 14.826 -2.664 6.177 238 1HA GLY 37 2HA GLY 37 12.940 -3.453 5.127 239 2HA GLY 37 1HA GLY 37 13.124 -2.164 3.975 240 H ASN 38 H ASN 38 12.736 -0.141 6.204 241 HA ASN 38 HA ASN 38 9.974 -0.501 7.203 242 1HB ASN 38 1HB ASN 38 11.925 1.824 7.431 243 2HB ASN 38 2HB ASN 38 10.354 1.719 8.232 244 1HD2 ASN 38 1HD2 ASN 38 13.538 1.364 8.863 245 2HD2 ASN 38 2HD2 ASN 38 13.429 0.168 10.139 246 H ALA 39 H ALA 39 9.607 -0.738 4.660 247 HA ALA 39 HA ALA 39 8.603 -0.162 2.771 248 1HB ALA 39 1HB ALA 39 7.258 1.921 4.492 249 2HB ALA 39 3HB ALA 39 6.769 0.223 4.288 250 3HB ALA 39 2HB ALA 39 6.680 1.340 2.911 251 H GLY 40 H GLY 40 9.296 3.115 4.065 252 1HA GLY 40 2HA GLY 40 10.972 3.838 1.777 253 2HA GLY 40 1HA GLY 40 10.510 4.870 3.140 254 H TRP 41 H TRP 41 8.650 3.266 0.549 255 HA TRP 41 HA TRP 41 7.852 5.668 -0.801 256 1HB TRP 41 1HB TRP 41 6.468 3.997 -2.157 257 2HB TRP 41 2HB TRP 41 8.219 3.817 -2.135 258 HD1 TRP 41 HD1 TRP 41 6.126 2.435 0.735 259 HE1 TRP 41 HE1 TRP 41 6.465 -0.057 0.844 260 HE3 TRP 41 HE3 TRP 41 8.646 1.816 -3.680 261 HZ2 TRP 41 HZ2 TRP 41 7.841 -2.104 -0.725 262 HZ3 TRP 41 HZ3 TRP 41 9.422 -0.432 -4.372 263 HH2 TRP 41 HH2 TRP 41 9.039 -2.404 -2.878 264 H ASN 42 H ASN 42 5.041 3.844 -0.796 265 HA ASN 42 HA ASN 42 3.511 5.787 0.799 266 1HB ASN 42 1HB ASN 42 1.581 4.642 0.026 267 2HB ASN 42 2HB ASN 42 2.660 4.894 -1.349 268 1HD2 ASN 42 1HD2 ASN 42 1.124 2.483 0.710 269 2HD2 ASN 42 2HD2 ASN 42 1.641 1.110 -0.265 270 H LYS 43 H LYS 43 2.902 5.587 2.861 271 HA LYS 43 HA LYS 43 2.952 3.127 4.447 272 1HB LYS 43 1HB LYS 43 4.744 4.082 5.946 273 2HB LYS 43 2HB LYS 43 5.289 3.498 4.400 274 1HG LYS 43 1HG LYS 43 5.272 5.844 3.500 275 2HG LYS 43 2HG LYS 43 4.792 6.437 5.068 276 1HD LYS 43 1HD LYS 43 6.971 5.406 5.978 277 2HD LYS 43 2HD LYS 43 7.417 5.045 4.301 278 1HE LYS 43 1HE LYS 43 6.753 7.805 5.420 279 2HE LYS 43 2HE LYS 43 8.373 7.181 5.188 280 1HZ LYS 43 1HZ LYS 43 6.450 7.592 2.975 281 2HZ LYS 43 3HZ LYS 43 7.665 8.611 3.349 282 3HZ LYS 43 2HZ LYS 43 7.989 7.116 2.795 No H/Q in entry = 282 Start of MODEL 6 1 H1 LYS 1 1H LYS 1 -19.591 1.612 -3.857 2 H2 LYS 1 3H LYS 1 -19.688 1.699 -2.221 3 H3 LYS 1 2H LYS 1 -19.769 3.052 -3.095 4 HA LYS 1 HA LYS 1 -17.553 2.840 -3.880 5 1HB LYS 1 1HB LYS 1 -17.875 4.202 -1.895 6 2HB LYS 1 2HB LYS 1 -17.774 2.761 -0.845 7 1HG LYS 1 1HG LYS 1 -15.510 2.389 -1.378 8 2HG LYS 1 2HG LYS 1 -15.523 3.582 -2.704 9 1HD LYS 1 1HD LYS 1 -15.651 4.170 0.265 10 2HD LYS 1 2HD LYS 1 -14.184 4.227 -0.719 11 1HE LYS 1 1HE LYS 1 -15.151 6.006 -2.137 12 2HE LYS 1 2HE LYS 1 -16.648 5.967 -1.194 13 1HZ LYS 1 3HZ LYS 1 -15.326 6.627 0.769 14 2HZ LYS 1 2HZ LYS 1 -13.968 6.685 -0.118 15 3HZ LYS 1 1HZ LYS 1 -15.184 7.741 -0.400 16 H TYR 2 H TYR 2 -17.958 0.277 -1.312 17 HA TYR 2 HA TYR 2 -15.513 -0.996 -1.925 18 1HB TYR 2 1HB TYR 2 -18.044 -2.285 -0.803 19 2HB TYR 2 2HB TYR 2 -16.418 -2.885 -0.629 20 HD1 TYR 2 HD1 TYR 2 -18.459 -2.451 1.557 21 HD2 TYR 2 HD2 TYR 2 -15.261 0.014 0.075 22 HE1 TYR 2 HE1 TYR 2 -18.164 -1.476 3.822 23 HE2 TYR 2 HE2 TYR 2 -14.976 1.007 2.341 24 HH TYR 2 HH TYR 2 -16.994 0.002 5.140 25 H TYR 3 H TYR 3 -15.033 -2.990 -2.861 26 HA TYR 3 HA TYR 3 -17.076 -4.408 -4.470 27 1HB TYR 3 1HB TYR 3 -16.137 -4.322 -6.446 28 2HB TYR 3 2HB TYR 3 -15.310 -2.897 -5.856 29 HD1 TYR 3 HD1 TYR 3 -12.931 -2.974 -5.313 30 HD2 TYR 3 HD2 TYR 3 -14.937 -6.503 -6.738 31 HE1 TYR 3 HE1 TYR 3 -10.696 -4.121 -5.646 32 HE2 TYR 3 HE2 TYR 3 -12.764 -7.636 -7.029 33 HH TYR 3 HH TYR 3 -9.644 -6.017 -6.335 34 H GLY 4 H GLY 4 -13.685 -4.659 -3.378 35 1HA GLY 4 2HA GLY 4 -12.647 -6.071 -1.872 36 2HA GLY 4 1HA GLY 4 -13.754 -7.360 -2.286 37 H ASN 5 H ASN 5 -13.224 -7.448 0.268 38 HA ASN 5 HA ASN 5 -15.589 -7.099 1.689 39 1HB ASN 5 1HB ASN 5 -13.723 -8.609 2.257 40 2HB ASN 5 2HB ASN 5 -12.747 -7.236 2.771 41 1HD2 ASN 5 1HD2 ASN 5 -15.841 -8.999 3.517 42 2HD2 ASN 5 2HD2 ASN 5 -15.803 -8.490 5.206 43 H GLY 6 H GLY 6 -12.893 -4.829 1.491 44 1HA GLY 6 2HA GLY 6 -13.395 -2.947 3.455 45 2HA GLY 6 1HA GLY 6 -14.585 -2.514 2.254 46 H VAL 7 H VAL 7 -12.631 -3.393 0.097 47 HA VAL 7 HA VAL 7 -10.056 -2.281 0.441 48 HB VAL 7 HB VAL 7 -9.729 -2.531 -2.001 49 1HG1 VAL 7 2HG1 VAL 7 -9.406 -4.401 -0.519 50 2HG1 VAL 7 3HG1 VAL 7 -11.145 -4.831 -0.654 51 3HG1 VAL 7 1HG1 VAL 7 -10.072 -4.930 -2.085 52 1HG2 VAL 7 2HG2 VAL 7 -12.688 -3.236 -2.085 53 2HG2 VAL 7 3HG2 VAL 7 -11.831 -2.001 -3.047 54 3HG2 VAL 7 1HG2 VAL 7 -11.504 -3.713 -3.327 55 H HIS 8 H HIS 8 -12.743 -0.841 -1.377 56 HA HIS 8 HA HIS 8 -11.180 1.561 -1.903 57 1HB HIS 8 1HB HIS 8 -14.126 0.989 -2.302 58 2HB HIS 8 2HB HIS 8 -13.293 2.481 -2.808 59 HD1 HIS 8 HD1 HIS 8 -14.658 0.093 -4.713 60 HD2 HIS 8 HD2 HIS 8 -10.629 1.076 -4.018 61 HE1 HIS 8 HE1 HIS 8 -13.244 -1.005 -6.628 62 HE2 HIS 8 HE2 HIS 8 -10.836 -0.368 -6.173 63 H CYS 9 H CYS 9 -10.546 2.510 -0.228 64 HA CYS 9 HA CYS 9 -12.315 3.445 1.976 65 1HB CYS 9 1HB CYS 9 -11.114 2.438 3.590 66 2HB CYS 9 2HB CYS 9 -10.813 1.276 2.307 67 H GLY 10 H GLY 10 -11.334 5.174 3.333 68 1HA GLY 10 2HA GLY 10 -10.674 7.413 3.431 69 2HA GLY 10 1HA GLY 10 -10.609 7.397 1.680 70 H LYS 11 H LYS 11 -8.583 5.185 3.430 71 HA LYS 11 HA LYS 11 -6.212 6.874 3.631 72 1HB LYS 11 1HB LYS 11 -6.428 3.839 3.626 73 2HB LYS 11 2HB LYS 11 -5.037 4.745 4.164 74 1HG LYS 11 1HG LYS 11 -7.761 4.646 5.511 75 2HG LYS 11 2HG LYS 11 -6.253 3.966 6.093 76 1HD LYS 11 1HD LYS 11 -5.307 6.310 6.222 77 2HD LYS 11 2HD LYS 11 -6.932 6.925 5.852 78 1HE LYS 11 1HE LYS 11 -6.219 5.108 8.193 79 2HE LYS 11 2HE LYS 11 -6.313 6.847 8.298 80 1HZ LYS 11 3HZ LYS 11 -8.658 6.709 7.649 81 2HZ LYS 11 2HZ LYS 11 -8.585 5.086 7.580 82 3HZ LYS 11 1HZ LYS 11 -8.383 5.829 9.010 83 H HIS 12 H HIS 12 -7.513 5.165 1.013 84 HA HIS 12 HA HIS 12 -6.893 4.533 -1.047 85 1HB HIS 12 1HB HIS 12 -5.263 7.095 -0.918 86 2HB HIS 12 2HB HIS 12 -5.617 6.185 -2.384 87 HD1 HIS 12 HD1 HIS 12 -7.247 8.747 -0.109 88 HD2 HIS 12 HD2 HIS 12 -8.320 5.872 -3.031 89 HE1 HIS 12 HE1 HIS 12 -9.630 9.258 -0.778 90 HE2 HIS 12 HE2 HIS 12 -10.299 7.524 -2.567 91 H SER 13 H SER 13 -4.063 4.531 1.054 92 HA SER 13 HA SER 13 -2.487 2.861 -0.682 93 1HB SER 13 1HB SER 13 -2.619 2.902 2.372 94 2HB SER 13 2HB SER 13 -1.346 2.153 1.391 95 HG SER 13 HG SER 13 -0.798 4.213 2.106 96 H CYS 14 H CYS 14 -5.485 2.252 0.737 97 HA CYS 14 HA CYS 14 -5.382 -0.684 0.827 98 1HB CYS 14 1HB CYS 14 -7.875 -0.307 1.171 99 2HB CYS 14 2HB CYS 14 -6.801 0.383 2.371 100 H THR 15 H THR 15 -8.031 0.682 -0.824 101 HA THR 15 HA THR 15 -8.893 0.763 -2.830 102 HB THR 15 HB THR 15 -6.053 1.077 -3.859 103 HG1 THR 15 HG1 THR 15 -6.261 2.930 -2.943 104 1HG2 THR 15 1HG2 THR 15 -8.751 1.875 -5.062 105 2HG2 THR 15 3HG2 THR 15 -7.162 2.431 -5.638 106 3HG2 THR 15 2HG2 THR 15 -7.618 0.712 -5.771 107 H VAL 16 H VAL 16 -6.597 -1.866 -2.542 108 HA VAL 16 HA VAL 16 -8.522 -3.512 -3.968 109 HB VAL 16 HB VAL 16 -5.595 -4.015 -4.584 110 1HG1 VAL 16 3HG1 VAL 16 -8.165 -4.584 -6.146 111 2HG1 VAL 16 1HG1 VAL 16 -6.508 -4.963 -6.656 112 3HG1 VAL 16 2HG1 VAL 16 -7.170 -5.773 -5.254 113 1HG2 VAL 16 3HG2 VAL 16 -7.344 -2.203 -6.276 114 2HG2 VAL 16 1HG2 VAL 16 -5.871 -1.681 -5.418 115 3HG2 VAL 16 2HG2 VAL 16 -5.743 -2.859 -6.733 116 H ASP 17 H ASP 17 -8.000 -5.920 -3.480 117 HA ASP 17 HA ASP 17 -7.709 -6.465 -0.767 118 1HB ASP 17 1HB ASP 17 -8.694 -7.889 -2.546 119 2HB ASP 17 2HB ASP 17 -7.091 -8.274 -3.146 120 H TRP 18 H TRP 18 -5.133 -5.582 -2.805 121 HA TRP 18 HA TRP 18 -2.908 -6.888 -1.509 122 1HB TRP 18 1HB TRP 18 -1.545 -5.486 -2.809 123 2HB TRP 18 2HB TRP 18 -2.829 -6.103 -3.798 124 HD1 TRP 18 HD1 TRP 18 -4.304 -3.170 -2.020 125 HE1 TRP 18 HE1 TRP 18 -4.106 -1.115 -3.281 126 HE3 TRP 18 HE3 TRP 18 -1.098 -4.788 -5.717 127 HZ2 TRP 18 HZ2 TRP 18 -2.857 -0.126 -5.715 128 HZ3 TRP 18 HZ3 TRP 18 -0.472 -3.218 -7.543 129 HH2 TRP 18 HH2 TRP 18 -1.401 -0.889 -7.562 130 H GLY 19 H GLY 19 -4.934 -4.535 -0.236 131 1HA GLY 19 2HA GLY 19 -4.799 -3.058 1.564 132 2HA GLY 19 1HA GLY 19 -3.532 -2.378 0.559 133 H THR 20 H THR 20 -3.435 -5.419 2.464 134 HA THR 20 HA THR 20 -1.767 -4.298 4.536 135 HB THR 20 HB THR 20 -1.451 -6.727 5.187 136 HG1 THR 20 HG1 THR 20 -2.801 -8.189 4.108 137 1HG2 THR 20 1HG2 THR 20 -4.314 -5.766 4.810 138 2HG2 THR 20 3HG2 THR 20 -3.799 -7.048 5.903 139 3HG2 THR 20 2HG2 THR 20 -3.216 -5.394 6.165 140 H ALA 21 H ALA 21 -1.042 -6.030 1.539 141 HA ALA 21 HA ALA 21 1.799 -6.329 2.059 142 1HB ALA 21 1HB ALA 21 0.642 -7.704 0.373 143 2HB ALA 21 3HB ALA 21 1.956 -6.776 -0.364 144 3HB ALA 21 2HB ALA 21 0.281 -6.257 -0.605 145 H ILE 22 H ILE 22 -0.164 -3.855 0.373 146 HA ILE 22 HA ILE 22 1.967 -1.981 -0.158 147 HB ILE 22 HB ILE 22 -0.924 -1.294 0.423 148 1HG1 ILE 22 1HG1 ILE 22 -1.039 -2.895 -1.381 149 2HG1 ILE 22 2HG1 ILE 22 -1.295 -1.272 -1.979 150 1HG2 ILE 22 2HG2 ILE 22 1.294 0.205 -1.037 151 2HG2 ILE 22 3HG2 ILE 22 -0.442 0.648 -1.032 152 3HG2 ILE 22 1HG2 ILE 22 0.493 0.656 0.470 153 1HD1 ILE 22 1HD1 ILE 22 0.970 -1.201 -2.912 154 2HD1 ILE 22 2HD1 ILE 22 1.279 -2.860 -2.293 155 3HD1 ILE 22 3HD1 ILE 22 0.059 -2.569 -3.540 156 H GLY 23 H GLY 23 -0.105 -2.329 2.752 157 1HA GLY 23 2HA GLY 23 0.369 -1.828 4.973 158 2HA GLY 23 1HA GLY 23 1.010 -0.312 4.352 159 H ASN 24 H ASN 24 2.131 -3.712 4.023 160 HA ASN 24 HA ASN 24 4.414 -3.532 5.759 161 1HB ASN 24 1HB ASN 24 3.372 -5.639 5.068 162 2HB ASN 24 2HB ASN 24 3.861 -5.366 3.399 163 1HD2 ASN 24 1HD2 ASN 24 5.672 -6.531 2.844 164 2HD2 ASN 24 2HD2 ASN 24 6.934 -6.933 4.024 165 H ILE 25 H ILE 25 4.173 -3.108 2.187 166 HA ILE 25 HA ILE 25 6.940 -2.563 1.700 167 HB ILE 25 HB ILE 25 4.422 -1.762 0.188 168 1HG1 ILE 25 1HG1 ILE 25 6.509 -3.814 -0.637 169 2HG1 ILE 25 2HG1 ILE 25 5.241 -4.278 0.477 170 1HG2 ILE 25 2HG2 ILE 25 7.332 -1.495 -0.634 171 2HG2 ILE 25 3HG2 ILE 25 5.949 -1.346 -1.756 172 3HG2 ILE 25 1HG2 ILE 25 6.156 -0.178 -0.461 173 1HD1 ILE 25 1HD1 ILE 25 3.518 -3.623 -1.217 174 2HD1 ILE 25 2HD1 ILE 25 4.844 -3.223 -2.341 175 3HD1 ILE 25 3HD1 ILE 25 4.634 -4.890 -1.775 176 H GLY 26 H GLY 26 4.235 -0.327 2.421 177 1HA GLY 26 2HA GLY 26 4.208 1.818 3.318 178 2HA GLY 26 1HA GLY 26 5.700 2.086 2.392 179 H ASN 27 H ASN 27 5.078 -0.163 5.147 180 HA ASN 27 HA ASN 27 6.481 1.268 7.130 181 1HB ASN 27 1HB ASN 27 4.971 -0.617 7.645 182 2HB ASN 27 2HB ASN 27 6.047 -1.742 6.826 183 1HD2 ASN 27 1HD2 ASN 27 7.576 -2.754 8.081 184 2HD2 ASN 27 2HD2 ASN 27 8.020 -2.195 9.687 185 H ASN 28 H ASN 28 7.742 -1.187 4.817 186 HA ASN 28 HA ASN 28 10.468 -0.983 5.855 187 1HB ASN 28 1HB ASN 28 9.214 -2.395 3.465 188 2HB ASN 28 2HB ASN 28 10.968 -2.372 3.799 189 1HD2 ASN 28 1HD2 ASN 28 7.820 -3.557 5.063 190 2HD2 ASN 28 2HD2 ASN 28 8.547 -4.775 6.061 191 H ALA 29 H ALA 29 8.712 0.676 3.264 192 HA ALA 29 HA ALA 29 10.938 2.145 2.164 193 1HB ALA 29 2HB ALA 29 8.059 3.076 2.527 194 2HB ALA 29 3HB ALA 29 9.278 3.759 1.458 195 3HB ALA 29 1HB ALA 29 8.679 2.132 1.150 196 H ALA 30 H ALA 30 8.783 2.881 4.969 197 HA ALA 30 HA ALA 30 10.196 5.228 5.784 198 1HB ALA 30 2HB ALA 30 7.878 4.660 6.408 199 2HB ALA 30 1HB ALA 30 8.902 5.044 7.811 200 3HB ALA 30 3HB ALA 30 8.472 3.353 7.451 201 H ALA 31 H ALA 31 10.750 1.779 6.542 202 HA ALA 31 HA ALA 31 12.729 2.295 8.593 203 1HB ALA 31 1HB ALA 31 12.193 -0.249 6.986 204 2HB ALA 31 2HB ALA 31 13.025 -0.107 8.548 205 3HB ALA 31 3HB ALA 31 11.311 0.247 8.451 206 H ASN 32 H ASN 32 13.198 0.867 5.324 207 HA ASN 32 HA ASN 32 16.067 0.957 5.646 208 1HB ASN 32 1HB ASN 32 14.864 -0.925 4.621 209 2HB ASN 32 2HB ASN 32 14.423 0.099 3.249 210 1HD2 ASN 32 1HD2 ASN 32 17.258 -1.199 4.997 211 2HD2 ASN 32 2HD2 ASN 32 18.278 -1.207 3.550 212 H TRP 33 H TRP 33 13.808 3.036 3.866 213 HA TRP 33 HA TRP 33 16.053 4.674 2.774 214 1HB TRP 33 1HB TRP 33 13.043 4.971 2.385 215 2HB TRP 33 2HB TRP 33 14.254 6.033 1.735 216 HD1 TRP 33 HD1 TRP 33 14.992 5.646 -0.566 217 HE1 TRP 33 HE1 TRP 33 14.795 3.800 -2.343 218 HE3 TRP 33 HE3 TRP 33 13.051 1.865 2.351 219 HZ2 TRP 33 HZ2 TRP 33 13.948 1.069 -2.488 220 HZ3 TRP 33 HZ3 TRP 33 12.522 -0.310 1.346 221 HH2 TRP 33 HH2 TRP 33 12.953 -0.738 -1.069 222 H ALA 34 H ALA 34 14.706 4.340 5.667 223 HA ALA 34 HA ALA 34 14.543 5.398 7.591 224 1HB ALA 34 3HB ALA 34 16.937 5.796 6.983 225 2HB ALA 34 1HB ALA 34 16.478 7.410 6.422 226 3HB ALA 34 2HB ALA 34 16.291 6.967 8.146 227 H THR 35 H THR 35 13.544 7.293 4.958 228 HA THR 35 HA THR 35 11.611 8.764 6.743 229 HB THR 35 HB THR 35 13.574 10.145 6.045 230 HG1 THR 35 HG1 THR 35 11.025 10.919 5.185 231 1HG2 THR 35 1HG2 THR 35 13.893 9.366 3.713 232 2HG2 THR 35 3HG2 THR 35 12.330 10.089 3.270 233 3HG2 THR 35 2HG2 THR 35 13.682 11.105 3.831 234 H GLY 36 H GLY 36 11.738 6.537 4.290 235 1HA GLY 36 2HA GLY 36 8.999 6.844 3.387 236 2HA GLY 36 1HA GLY 36 10.239 5.739 2.778 237 H GLY 37 H GLY 37 8.345 8.339 1.925 238 1HA GLY 37 2HA GLY 37 10.031 9.967 0.311 239 2HA GLY 37 1HA GLY 37 8.277 9.804 0.179 240 H ASN 38 H ASN 38 9.091 6.747 -0.270 241 HA ASN 38 HA ASN 38 9.245 6.868 -3.211 242 1HB ASN 38 1HB ASN 38 11.587 6.606 -2.280 243 2HB ASN 38 2HB ASN 38 11.031 5.150 -1.425 244 1HD2 ASN 38 1HD2 ASN 38 11.656 6.564 -4.647 245 2HD2 ASN 38 2HD2 ASN 38 11.765 4.983 -5.422 246 H ALA 39 H ALA 39 8.346 5.039 -4.234 247 HA ALA 39 HA ALA 39 6.109 3.836 -2.912 248 1HB ALA 39 2HB ALA 39 5.790 2.765 -5.155 249 2HB ALA 39 1HB ALA 39 7.397 3.321 -5.624 250 3HB ALA 39 3HB ALA 39 6.113 4.502 -5.256 251 H GLY 40 H GLY 40 9.360 2.782 -2.940 252 1HA GLY 40 2HA GLY 40 8.737 0.223 -1.648 253 2HA GLY 40 1HA GLY 40 10.345 0.910 -1.987 254 H TRP 41 H TRP 41 9.938 -1.767 -2.330 255 HA TRP 41 HA TRP 41 10.706 -2.228 -5.069 256 1HB TRP 41 1HB TRP 41 11.091 -4.425 -4.395 257 2HB TRP 41 2HB TRP 41 11.619 -3.378 -3.085 258 HD1 TRP 41 HD1 TRP 41 8.657 -5.570 -4.078 259 HE1 TRP 41 HE1 TRP 41 7.425 -6.416 -2.033 260 HE3 TRP 41 HE3 TRP 41 11.489 -3.289 -0.478 261 HZ2 TRP 41 HZ2 TRP 41 7.694 -6.211 0.865 262 HZ3 TRP 41 HZ3 TRP 41 11.028 -3.672 1.905 263 HH2 TRP 41 HH2 TRP 41 9.117 -5.122 2.611 264 H ASN 42 H ASN 42 7.651 -1.888 -3.913 265 HA ASN 42 HA ASN 42 5.794 -3.596 -4.412 266 1HB ASN 42 1HB ASN 42 5.323 -1.245 -4.029 267 2HB ASN 42 2HB ASN 42 5.851 -0.821 -5.660 268 1HD2 ASN 42 1HD2 ASN 42 3.447 -2.978 -3.990 269 2HD2 ASN 42 2HD2 ASN 42 2.192 -2.637 -5.182 270 H LYS 43 H LYS 43 5.882 -5.405 -5.600 271 HA LYS 43 HA LYS 43 7.093 -5.762 -8.026 272 1HB LYS 43 1HB LYS 43 4.875 -7.347 -6.674 273 2HB LYS 43 2HB LYS 43 5.909 -7.989 -7.935 274 1HG LYS 43 1HG LYS 43 7.044 -6.862 -5.318 275 2HG LYS 43 2HG LYS 43 6.421 -8.465 -5.431 276 1HD LYS 43 1HD LYS 43 8.019 -8.952 -7.333 277 2HD LYS 43 2HD LYS 43 8.703 -7.320 -7.124 278 1HE LYS 43 1HE LYS 43 9.343 -7.915 -4.792 279 2HE LYS 43 2HE LYS 43 8.683 -9.531 -5.019 280 1HZ LYS 43 1HZ LYS 43 10.291 -9.880 -6.793 281 2HZ LYS 43 3HZ LYS 43 10.949 -8.396 -6.557 282 3HZ LYS 43 2HZ LYS 43 11.071 -9.528 -5.410 No H/Q in entry = 282 Start of MODEL 7 1 H1 LYS 1 1H LYS 1 17.400 5.440 -1.075 2 H2 LYS 1 3H LYS 1 15.981 5.105 -0.338 3 H3 LYS 1 2H LYS 1 17.321 5.448 0.556 4 HA LYS 1 HA LYS 1 18.435 3.497 -0.165 5 1HB LYS 1 1HB LYS 1 16.748 3.505 1.853 6 2HB LYS 1 2HB LYS 1 15.734 2.524 0.832 7 1HG LYS 1 1HG LYS 1 17.617 0.870 0.609 8 2HG LYS 1 2HG LYS 1 18.634 1.901 1.605 9 1HD LYS 1 1HD LYS 1 17.036 1.630 3.500 10 2HD LYS 1 2HD LYS 1 15.996 0.662 2.440 11 1HE LYS 1 1HE LYS 1 17.998 -0.902 2.090 12 2HE LYS 1 2HE LYS 1 18.786 -0.040 3.405 13 1HZ LYS 1 2HZ LYS 1 16.172 -1.442 3.625 14 2HZ LYS 1 1HZ LYS 1 17.581 -2.015 4.220 15 3HZ LYS 1 3HZ LYS 1 16.903 -0.666 4.836 16 H TYR 2 H TYR 2 18.335 1.458 -1.205 17 HA TYR 2 HA TYR 2 18.438 1.951 -3.794 18 1HB TYR 2 1HB TYR 2 18.282 -0.890 -2.720 19 2HB TYR 2 2HB TYR 2 19.211 -0.291 -4.090 20 HD1 TYR 2 HD1 TYR 2 19.317 -1.193 -0.663 21 HD2 TYR 2 HD2 TYR 2 20.974 1.596 -3.503 22 HE1 TYR 2 HE1 TYR 2 21.243 -0.761 0.877 23 HE2 TYR 2 HE2 TYR 2 22.910 2.002 -1.976 24 HH TYR 2 HH TYR 2 23.211 0.359 1.182 25 H TYR 3 H TYR 3 16.380 -0.935 -3.358 26 HA TYR 3 HA TYR 3 14.668 0.005 -5.621 27 1HB TYR 3 1HB TYR 3 15.302 -1.883 -6.938 28 2HB TYR 3 2HB TYR 3 16.775 -1.097 -6.380 29 HD1 TYR 3 HD1 TYR 3 14.674 -4.162 -6.157 30 HD2 TYR 3 HD2 TYR 3 18.293 -2.255 -4.812 31 HE1 TYR 3 HE1 TYR 3 15.445 -6.311 -5.172 32 HE2 TYR 3 HE2 TYR 3 19.080 -4.399 -3.873 33 HH TYR 3 HH TYR 3 18.651 -6.632 -3.643 34 H GLY 4 H GLY 4 12.933 -1.581 -6.230 35 1HA GLY 4 2HA GLY 4 12.550 -3.993 -4.820 36 2HA GLY 4 1HA GLY 4 11.447 -3.290 -5.981 37 H ASN 5 H ASN 5 10.544 -4.819 -3.948 38 HA ASN 5 HA ASN 5 8.795 -2.999 -2.467 39 1HB ASN 5 1HB ASN 5 7.959 -4.998 -3.613 40 2HB ASN 5 2HB ASN 5 8.920 -6.068 -2.609 41 1HD2 ASN 5 1HD2 ASN 5 8.082 -6.637 -0.596 42 2HD2 ASN 5 2HD2 ASN 5 6.587 -5.952 0.050 43 H GLY 6 H GLY 6 10.792 -5.806 -1.416 44 1HA GLY 6 2HA GLY 6 11.332 -6.484 0.738 45 2HA GLY 6 1HA GLY 6 10.266 -5.200 1.325 46 H VAL 7 H VAL 7 13.068 -4.300 -0.653 47 HA VAL 7 HA VAL 7 14.962 -3.969 1.483 48 HB VAL 7 HB VAL 7 14.839 -2.304 -1.062 49 1HG1 VAL 7 1HG1 VAL 7 17.157 -3.122 0.734 50 2HG1 VAL 7 2HG1 VAL 7 17.344 -2.273 -0.822 51 3HG1 VAL 7 3HG1 VAL 7 16.505 -1.472 0.476 52 1HG2 VAL 7 3HG2 VAL 7 16.031 -5.074 -0.694 53 2HG2 VAL 7 1HG2 VAL 7 14.723 -4.571 -1.798 54 3HG2 VAL 7 2HG2 VAL 7 16.386 -3.987 -2.067 55 H HIS 8 H HIS 8 12.502 -1.885 0.127 56 HA HIS 8 HA HIS 8 13.376 0.578 1.186 57 1HB HIS 8 1HB HIS 8 10.841 -0.386 -0.130 58 2HB HIS 8 2HB HIS 8 10.962 1.241 0.535 59 HD1 HIS 8 HD1 HIS 8 11.295 -0.178 -2.725 60 HD2 HIS 8 HD2 HIS 8 13.703 2.267 -0.283 61 HE1 HIS 8 HE1 HIS 8 12.707 1.281 -4.300 62 HE2 HIS 8 HE2 HIS 8 14.215 2.717 -2.822 63 H CYS 9 H CYS 9 13.778 0.441 3.281 64 HA CYS 9 HA CYS 9 13.463 1.365 5.348 65 1HB CYS 9 1HB CYS 9 11.856 2.843 4.279 66 2HB CYS 9 2HB CYS 9 10.541 1.705 4.586 67 H GLY 10 H GLY 10 10.771 -0.887 4.737 68 1HA GLY 10 2HA GLY 10 11.518 -2.728 6.863 69 2HA GLY 10 1HA GLY 10 10.016 -2.738 5.923 70 H LYS 11 H LYS 11 9.700 -3.428 8.406 71 HA LYS 11 HA LYS 11 8.402 -3.188 10.263 72 1HB LYS 11 1HB LYS 11 9.949 -0.586 10.521 73 2HB LYS 11 2HB LYS 11 8.977 -1.315 11.795 74 1HG LYS 11 1HG LYS 11 10.373 -3.344 11.770 75 2HG LYS 11 2HG LYS 11 11.384 -2.666 10.485 76 1HD LYS 11 1HD LYS 11 11.018 -1.385 13.221 77 2HD LYS 11 2HD LYS 11 12.325 -2.509 12.816 78 1HE LYS 11 1HE LYS 11 13.001 -0.986 10.931 79 2HE LYS 11 2HE LYS 11 11.756 0.146 11.441 80 1HZ LYS 11 3HZ LYS 11 12.909 0.286 13.609 81 2HZ LYS 11 2HZ LYS 11 14.102 -0.687 13.058 82 3HZ LYS 11 1HZ LYS 11 13.872 0.792 12.395 83 H HIS 12 H HIS 12 8.387 0.030 8.915 84 HA HIS 12 HA HIS 12 5.388 0.206 9.045 85 1HB HIS 12 1HB HIS 12 7.402 2.463 9.287 86 2HB HIS 12 2HB HIS 12 5.640 2.608 9.468 87 HD1 HIS 12 HD1 HIS 12 4.826 0.617 11.571 88 HD2 HIS 12 HD2 HIS 12 8.536 2.622 11.604 89 HE1 HIS 12 HE1 HIS 12 5.686 0.498 13.979 90 HE2 HIS 12 HE2 HIS 12 7.930 1.728 14.006 91 H SER 13 H SER 13 7.773 -0.260 6.885 92 HA SER 13 HA SER 13 8.001 -0.065 4.634 93 1HB SER 13 1HB SER 13 4.973 0.116 4.769 94 2HB SER 13 2HB SER 13 5.897 -0.301 3.324 95 HG SER 13 HG SER 13 5.251 -2.150 4.482 96 H CYS 14 H CYS 14 8.528 2.321 5.846 97 HA CYS 14 HA CYS 14 6.941 4.522 5.216 98 1HB CYS 14 1HB CYS 14 8.518 5.866 6.202 99 2HB CYS 14 2HB CYS 14 8.481 4.366 7.106 100 H THR 15 H THR 15 9.104 3.156 2.909 101 HA THR 15 HA THR 15 8.597 5.489 1.143 102 HB THR 15 HB THR 15 10.814 5.750 2.328 103 HG1 THR 15 HG1 THR 15 10.870 5.553 -0.470 104 1HG2 THR 15 2HG2 THR 15 11.547 3.346 2.143 105 2HG2 THR 15 1HG2 THR 15 11.784 3.617 0.403 106 3HG2 THR 15 3HG2 THR 15 12.736 4.543 1.590 107 H VAL 16 H VAL 16 7.848 2.465 1.300 108 HA VAL 16 HA VAL 16 9.026 1.115 -0.893 109 HB VAL 16 HB VAL 16 6.286 0.606 0.362 110 1HG1 VAL 16 1HG1 VAL 16 8.207 -1.125 -1.271 111 2HG1 VAL 16 2HG1 VAL 16 6.805 -1.740 -0.366 112 3HG1 VAL 16 3HG1 VAL 16 6.526 -0.656 -1.713 113 1HG2 VAL 16 1HG2 VAL 16 8.178 0.562 2.029 114 2HG2 VAL 16 2HG2 VAL 16 7.395 -1.015 1.763 115 3HG2 VAL 16 3HG2 VAL 16 8.971 -0.665 1.046 116 H ASP 17 H ASP 17 8.356 0.696 -3.002 117 HA ASP 17 HA ASP 17 7.260 2.742 -4.577 118 1HB ASP 17 1HB ASP 17 8.894 0.920 -5.158 119 2HB ASP 17 2HB ASP 17 7.545 -0.195 -5.257 120 H TRP 18 H TRP 18 5.423 0.833 -2.616 121 HA TRP 18 HA TRP 18 3.161 0.109 -4.256 122 1HB TRP 18 1HB TRP 18 2.105 -0.596 -2.237 123 2HB TRP 18 2HB TRP 18 3.776 -1.119 -2.242 124 HD1 TRP 18 HD1 TRP 18 4.126 2.334 -1.231 125 HE1 TRP 18 HE1 TRP 18 4.036 2.702 1.219 126 HE3 TRP 18 HE3 TRP 18 2.265 -2.246 0.193 127 HZ2 TRP 18 HZ2 TRP 18 3.204 1.260 3.592 128 HZ3 TRP 18 HZ3 TRP 18 1.797 -2.682 2.601 129 HH2 TRP 18 HH2 TRP 18 2.285 -0.954 4.302 130 H GLY 19 H GLY 19 4.041 3.116 -3.562 131 1HA GLY 19 2HA GLY 19 2.990 5.171 -3.931 132 2HA GLY 19 1HA GLY 19 2.206 4.710 -2.419 133 H THR 20 H THR 20 1.707 3.530 -5.802 134 HA THR 20 HA THR 20 -0.903 4.860 -5.998 135 HB THR 20 HB THR 20 -1.022 3.608 -8.200 136 HG1 THR 20 HG1 THR 20 0.331 1.902 -7.854 137 1HG2 THR 20 1HG2 THR 20 1.449 5.309 -7.702 138 2HG2 THR 20 3HG2 THR 20 0.782 4.890 -9.291 139 3HG2 THR 20 2HG2 THR 20 -0.170 5.888 -8.151 140 H ALA 21 H ALA 21 0.107 1.617 -5.070 141 HA ALA 21 HA ALA 21 -2.544 0.402 -5.271 142 1HB ALA 21 3HB ALA 21 -1.607 -1.347 -3.878 143 2HB ALA 21 1HB ALA 21 -0.484 -0.970 -5.207 144 3HB ALA 21 2HB ALA 21 -0.145 -0.394 -3.562 145 H ILE 22 H ILE 22 -0.619 1.799 -2.450 146 HA ILE 22 HA ILE 22 -2.831 1.716 -0.677 147 HB ILE 22 HB ILE 22 -1.546 3.101 0.726 148 1HG1 ILE 22 1HG1 ILE 22 0.606 3.329 -1.399 149 2HG1 ILE 22 2HG1 ILE 22 -0.522 4.643 -1.013 150 1HG2 ILE 22 3HG2 ILE 22 -1.059 0.641 0.537 151 2HG2 ILE 22 1HG2 ILE 22 0.311 1.037 -0.531 152 3HG2 ILE 22 2HG2 ILE 22 0.319 1.560 1.143 153 1HD1 ILE 22 1HD1 ILE 22 0.290 4.654 1.325 154 2HD1 ILE 22 2HD1 ILE 22 1.548 3.471 0.862 155 3HD1 ILE 22 3HD1 ILE 22 1.539 5.068 0.124 156 H GLY 23 H GLY 23 -1.941 4.154 -3.136 157 1HA GLY 23 2HA GLY 23 -3.199 5.895 -3.975 158 2HA GLY 23 1HA GLY 23 -3.793 6.149 -2.333 159 H ASN 24 H ASN 24 -4.157 3.449 -4.676 160 HA ASN 24 HA ASN 24 -6.891 3.805 -5.311 161 1HB ASN 24 1HB ASN 24 -5.339 2.524 -6.668 162 2HB ASN 24 2HB ASN 24 -5.155 1.326 -5.357 163 1HD2 ASN 24 1HD2 ASN 24 -7.513 2.738 -7.697 164 2HD2 ASN 24 2HD2 ASN 24 -8.586 1.349 -7.637 165 H ILE 25 H ILE 25 -5.390 1.766 -2.795 166 HA ILE 25 HA ILE 25 -7.786 0.666 -1.710 167 HB ILE 25 HB ILE 25 -5.139 1.332 -0.365 168 1HG1 ILE 25 1HG1 ILE 25 -6.216 -1.439 -1.095 169 2HG1 ILE 25 2HG1 ILE 25 -5.360 -0.503 -2.279 170 1HG2 ILE 25 3HG2 ILE 25 -7.460 -0.318 0.752 171 2HG2 ILE 25 1HG2 ILE 25 -5.838 -0.279 1.465 172 3HG2 ILE 25 2HG2 ILE 25 -6.799 1.193 1.420 173 1HD1 ILE 25 2HD1 ILE 25 -3.334 -0.408 -0.851 174 2HD1 ILE 25 3HD1 ILE 25 -4.162 -1.433 0.352 175 3HD1 ILE 25 1HD1 ILE 25 -3.819 -2.050 -1.253 176 H GLY 26 H GLY 26 -6.063 3.687 -0.754 177 1HA GLY 26 2HA GLY 26 -6.834 5.668 0.176 178 2HA GLY 26 1HA GLY 26 -7.838 4.672 1.199 179 H ASN 27 H ASN 27 -7.834 5.249 -2.319 180 HA ASN 27 HA ASN 27 -10.178 6.876 -2.548 181 1HB ASN 27 1HB ASN 27 -8.491 6.650 -4.331 182 2HB ASN 27 2HB ASN 27 -8.924 4.960 -4.557 183 1HD2 ASN 27 1HD2 ASN 27 -10.695 4.467 -5.985 184 2HD2 ASN 27 2HD2 ASN 27 -11.697 5.752 -6.622 185 H ASN 28 H ASN 28 -9.891 3.328 -2.874 186 HA ASN 28 HA ASN 28 -12.702 2.892 -3.238 187 1HB ASN 28 1HB ASN 28 -10.797 1.377 -3.974 188 2HB ASN 28 2HB ASN 28 -10.447 0.978 -2.307 189 1HD2 ASN 28 1HD2 ASN 28 -11.328 -0.928 -1.608 190 2HD2 ASN 28 2HD2 ASN 28 -12.727 -1.660 -2.415 191 H ALA 29 H ALA 29 -10.739 2.926 -0.222 192 HA ALA 29 HA ALA 29 -12.904 2.202 1.515 193 1HB ALA 29 3HB ALA 29 -10.477 3.987 2.010 194 2HB ALA 29 1HB ALA 29 -11.521 3.297 3.260 195 3HB ALA 29 2HB ALA 29 -10.535 2.226 2.226 196 H ALA 30 H ALA 30 -11.917 5.404 0.202 197 HA ALA 30 HA ALA 30 -14.094 6.845 1.452 198 1HB ALA 30 2HB ALA 30 -12.044 7.929 0.669 199 2HB ALA 30 3HB ALA 30 -12.470 7.560 -1.032 200 3HB ALA 30 1HB ALA 30 -13.492 8.642 -0.071 201 H ALA 31 H ALA 31 -13.924 4.962 -1.592 202 HA ALA 31 HA ALA 31 -16.346 6.073 -2.680 203 1HB ALA 31 3HB ALA 31 -14.841 3.534 -3.407 204 2HB ALA 31 2HB ALA 31 -14.454 5.159 -3.999 205 3HB ALA 31 1HB ALA 31 -16.016 4.418 -4.422 206 H ASN 32 H ASN 32 -15.623 2.946 -1.113 207 HA ASN 32 HA ASN 32 -18.506 2.463 -0.554 208 1HB ASN 32 1HB ASN 32 -18.333 0.270 -1.668 209 2HB ASN 32 2HB ASN 32 -18.060 1.584 -2.779 210 1HD2 ASN 32 1HD2 ASN 32 -16.356 1.184 -4.237 211 2HD2 ASN 32 2HD2 ASN 32 -14.962 0.219 -3.747 212 H TRP 33 H TRP 33 -15.845 2.816 1.118 213 HA TRP 33 HA TRP 33 -14.743 1.867 2.886 214 1HB TRP 33 1HB TRP 33 -17.645 1.457 3.330 215 2HB TRP 33 2HB TRP 33 -16.539 0.664 4.453 216 HD1 TRP 33 HD1 TRP 33 -15.860 1.988 6.425 217 HE1 TRP 33 HE1 TRP 33 -15.871 4.450 7.159 218 HE3 TRP 33 HE3 TRP 33 -17.429 4.130 2.035 219 HZ2 TRP 33 HZ2 TRP 33 -16.522 7.001 5.989 220 HZ3 TRP 33 HZ3 TRP 33 -17.734 6.608 1.900 221 HH2 TRP 33 HH2 TRP 33 -17.296 8.039 3.867 222 H ALA 34 H ALA 34 -14.371 0.420 0.593 223 HA ALA 34 HA ALA 34 -13.629 -1.514 -0.246 224 1HB ALA 34 3HB ALA 34 -11.961 -1.160 1.508 225 2HB ALA 34 1HB ALA 34 -12.944 -2.057 2.677 226 3HB ALA 34 2HB ALA 34 -12.257 -2.915 1.299 227 H THR 35 H THR 35 -16.372 -1.429 0.214 228 HA THR 35 HA THR 35 -18.330 -2.544 0.394 229 HB THR 35 HB THR 35 -18.525 -4.748 -0.569 230 HG1 THR 35 HG1 THR 35 -15.811 -4.809 -0.115 231 1HG2 THR 35 1HG2 THR 35 -18.226 -2.815 -2.092 232 2HG2 THR 35 3HG2 THR 35 -16.474 -3.110 -2.119 233 3HG2 THR 35 2HG2 THR 35 -17.589 -4.346 -2.749 234 H GLY 36 H GLY 36 -16.514 -2.565 2.839 235 1HA GLY 36 2HA GLY 36 -17.771 -4.755 4.422 236 2HA GLY 36 1HA GLY 36 -17.250 -3.171 5.023 237 H GLY 37 H GLY 37 -14.839 -3.860 3.041 238 1HA GLY 37 2HA GLY 37 -13.126 -5.257 5.084 239 2HA GLY 37 1HA GLY 37 -12.543 -4.155 3.804 240 H ASN 38 H ASN 38 -14.862 -6.125 2.496 241 HA ASN 38 HA ASN 38 -13.340 -8.556 2.103 242 1HB ASN 38 1HB ASN 38 -16.001 -7.531 0.981 243 2HB ASN 38 2HB ASN 38 -15.361 -9.152 0.712 244 1HD2 ASN 38 1HD2 ASN 38 -15.285 -10.662 2.463 245 2HD2 ASN 38 2HD2 ASN 38 -16.205 -10.333 3.931 246 H ALA 39 H ALA 39 -13.386 -5.588 0.374 247 HA ALA 39 HA ALA 39 -12.761 -6.549 -2.268 248 1HB ALA 39 1HB ALA 39 -12.074 -3.910 -0.914 249 2HB ALA 39 3HB ALA 39 -13.570 -4.277 -1.816 250 3HB ALA 39 2HB ALA 39 -12.004 -4.243 -2.656 251 H GLY 40 H GLY 40 -10.837 -6.979 -3.235 252 1HA GLY 40 2HA GLY 40 -9.012 -8.454 -3.127 253 2HA GLY 40 1HA GLY 40 -8.808 -8.093 -1.412 254 H TRP 41 H TRP 41 -6.835 -7.327 -1.094 255 HA TRP 41 HA TRP 41 -5.182 -6.201 -3.221 256 1HB TRP 41 1HB TRP 41 -4.561 -4.159 -2.192 257 2HB TRP 41 2HB TRP 41 -6.280 -4.202 -2.506 258 HD1 TRP 41 HD1 TRP 41 -3.810 -4.620 0.411 259 HE1 TRP 41 HE1 TRP 41 -4.893 -3.943 2.550 260 HE3 TRP 41 HE3 TRP 41 -8.466 -3.586 -1.392 261 HZ2 TRP 41 HZ2 TRP 41 -7.444 -2.851 3.430 262 HZ3 TRP 41 HZ3 TRP 41 -10.212 -2.651 0.110 263 HH2 TRP 41 HH2 TRP 41 -9.727 -2.293 2.540 264 H ASN 42 H ASN 42 -3.026 -5.437 -1.895 265 HA ASN 42 HA ASN 42 -1.671 -7.803 -1.030 266 1HB ASN 42 1HB ASN 42 0.198 -6.167 -0.552 267 2HB ASN 42 2HB ASN 42 -0.447 -6.186 -2.185 268 1HD2 ASN 42 1HD2 ASN 42 -0.745 -4.349 0.893 269 2HD2 ASN 42 2HD2 ASN 42 -0.947 -2.797 0.079 270 H LYS 43 H LYS 43 -3.305 -8.387 0.661 271 HA LYS 43 HA LYS 43 -2.257 -7.777 3.363 272 1HB LYS 43 1HB LYS 43 -4.553 -7.736 4.289 273 2HB LYS 43 2HB LYS 43 -4.098 -6.330 3.335 274 1HG LYS 43 1HG LYS 43 -5.386 -7.122 1.435 275 2HG LYS 43 2HG LYS 43 -5.811 -8.626 2.267 276 1HD LYS 43 1HD LYS 43 -7.182 -7.450 3.861 277 2HD LYS 43 2HD LYS 43 -6.558 -5.874 3.313 278 1HE LYS 43 1HE LYS 43 -7.445 -6.351 1.018 279 2HE LYS 43 2HE LYS 43 -8.157 -7.843 1.600 280 1HZ LYS 43 2HZ LYS 43 -8.850 -5.129 2.581 281 2HZ LYS 43 1HZ LYS 43 -9.697 -6.005 1.497 282 3HZ LYS 43 3HZ LYS 43 -9.620 -6.537 3.031 No H/Q in entry = 282 Start of MODEL 8 1 H1 LYS 1 3H LYS 1 9.063 -7.603 -3.210 2 H2 LYS 1 2H LYS 1 8.962 -6.217 -2.377 3 H3 LYS 1 1H LYS 1 7.992 -6.432 -3.668 4 HA LYS 1 HA LYS 1 9.737 -6.405 -5.195 5 1HB LYS 1 1HB LYS 1 8.730 -4.261 -4.299 6 2HB LYS 1 2HB LYS 1 10.135 -4.043 -3.282 7 1HG LYS 1 1HG LYS 1 11.533 -3.523 -5.121 8 2HG LYS 1 2HG LYS 1 10.529 -4.424 -6.271 9 1HD LYS 1 1HD LYS 1 9.623 -1.870 -4.950 10 2HD LYS 1 2HD LYS 1 10.520 -1.929 -6.495 11 1HE LYS 1 1HE LYS 1 8.732 -3.441 -7.425 12 2HE LYS 1 2HE LYS 1 7.779 -3.171 -5.967 13 1HZ LYS 1 3HZ LYS 1 7.733 -0.795 -6.538 14 2HZ LYS 1 2HZ LYS 1 8.605 -1.088 -7.902 15 3HZ LYS 1 1HZ LYS 1 7.119 -1.697 -7.752 16 H TYR 2 H TYR 2 12.201 -5.371 -5.211 17 HA TYR 2 HA TYR 2 13.593 -7.648 -5.144 18 1HB TYR 2 1HB TYR 2 14.988 -4.985 -4.981 19 2HB TYR 2 2HB TYR 2 15.442 -6.429 -5.887 20 HD1 TYR 2 HD1 TYR 2 13.448 -7.210 -7.586 21 HD2 TYR 2 HD2 TYR 2 14.176 -3.177 -6.277 22 HE1 TYR 2 HE1 TYR 2 12.261 -6.332 -9.602 23 HE2 TYR 2 HE2 TYR 2 12.982 -2.306 -8.252 24 HH TYR 2 HH TYR 2 11.882 -2.863 -10.218 25 H TYR 3 H TYR 3 13.475 -5.541 -2.404 26 HA TYR 3 HA TYR 3 15.174 -7.372 -0.764 27 1HB TYR 3 1HB TYR 3 16.723 -5.705 -1.401 28 2HB TYR 3 2HB TYR 3 15.563 -4.398 -1.113 29 HD1 TYR 3 HD1 TYR 3 17.631 -7.017 0.558 30 HD2 TYR 3 HD2 TYR 3 15.274 -3.478 1.044 31 HE1 TYR 3 HE1 TYR 3 18.348 -6.882 2.942 32 HE2 TYR 3 HE2 TYR 3 16.004 -3.294 3.424 33 HH TYR 3 HH TYR 3 18.206 -5.687 4.915 34 H GLY 4 H GLY 4 13.432 -4.227 -0.338 35 1HA GLY 4 2HA GLY 4 11.220 -5.586 0.913 36 2HA GLY 4 1HA GLY 4 11.303 -3.897 0.394 37 H ASN 5 H ASN 5 13.434 -5.615 2.683 38 HA ASN 5 HA ASN 5 12.024 -4.937 5.021 39 1HB ASN 5 1HB ASN 5 14.921 -5.805 4.617 40 2HB ASN 5 2HB ASN 5 14.067 -5.777 6.180 41 1HD2 ASN 5 2HD2 ASN 5 14.967 -7.890 3.786 42 2HD2 ASN 5 1HD2 ASN 5 13.674 -9.063 4.016 43 H GLY 6 H GLY 6 13.333 -2.620 3.289 44 1HA GLY 6 2HA GLY 6 14.825 -0.999 5.182 45 2HA GLY 6 1HA GLY 6 13.113 -0.560 5.127 46 H VAL 7 H VAL 7 14.731 -1.704 2.219 47 HA VAL 7 HA VAL 7 14.519 0.987 0.976 48 HB VAL 7 HB VAL 7 16.774 0.744 1.673 49 1HG1 VAL 7 2HG1 VAL 7 16.937 -1.824 0.061 50 2HG1 VAL 7 3HG1 VAL 7 18.318 -0.967 0.823 51 3HG1 VAL 7 1HG1 VAL 7 17.066 -1.661 1.838 52 1HG2 VAL 7 3HG2 VAL 7 16.305 1.795 -0.531 53 2HG2 VAL 7 1HG2 VAL 7 17.945 1.142 -0.364 54 3HG2 VAL 7 2HG2 VAL 7 16.728 0.241 -1.305 55 H HIS 8 H HIS 8 14.250 1.069 -1.189 56 HA HIS 8 HA HIS 8 13.325 -1.007 -2.936 57 1HB HIS 8 1HB HIS 8 10.776 -0.423 -2.431 58 2HB HIS 8 2HB HIS 8 11.624 -1.684 -1.543 59 HD1 HIS 8 HD1 HIS 8 11.446 2.142 -0.969 60 HD2 HIS 8 HD2 HIS 8 11.214 -1.570 1.019 61 HE1 HIS 8 HE1 HIS 8 11.512 2.637 1.554 62 HE2 HIS 8 HE2 HIS 8 11.248 0.401 2.743 63 H CYS 9 H CYS 9 13.271 -0.008 -4.870 64 HA CYS 9 HA CYS 9 13.607 1.601 -6.433 65 1HB CYS 9 1HB CYS 9 11.171 1.885 -5.980 66 2HB CYS 9 2HB CYS 9 11.557 3.217 -4.886 67 H GLY 10 H GLY 10 15.301 1.610 -4.067 68 1HA GLY 10 2HA GLY 10 16.948 2.715 -2.928 69 2HA GLY 10 1HA GLY 10 15.726 3.948 -2.658 70 H LYS 11 H LYS 11 16.714 3.542 -5.948 71 HA LYS 11 HA LYS 11 18.845 5.484 -6.124 72 1HB LYS 11 1HB LYS 11 18.177 3.848 -7.887 73 2HB LYS 11 2HB LYS 11 16.721 4.796 -8.188 74 1HG LYS 11 1HG LYS 11 18.094 6.726 -8.892 75 2HG LYS 11 2HG LYS 11 19.567 5.808 -8.520 76 1HD LYS 11 1HD LYS 11 17.476 5.077 -10.626 77 2HD LYS 11 2HD LYS 11 19.031 5.886 -10.926 78 1HE LYS 11 1HE LYS 11 20.178 3.851 -10.013 79 2HE LYS 11 2HE LYS 11 18.627 3.057 -9.865 80 1HZ LYS 11 1HZ LYS 11 18.333 3.398 -12.293 81 2HZ LYS 11 3HZ LYS 11 19.838 4.024 -12.393 82 3HZ LYS 11 2HZ LYS 11 19.625 2.461 -11.967 83 H HIS 12 H HIS 12 15.370 5.863 -5.884 84 HA HIS 12 HA HIS 12 15.770 8.618 -4.991 85 1HB HIS 12 1HB HIS 12 14.245 9.742 -6.455 86 2HB HIS 12 2HB HIS 12 15.486 8.973 -7.397 87 HD1 HIS 12 HD1 HIS 12 14.367 6.197 -8.140 88 HD2 HIS 12 HD2 HIS 12 12.155 9.770 -7.886 89 HE1 HIS 12 HE1 HIS 12 12.406 5.914 -9.748 90 HE2 HIS 12 HE2 HIS 12 11.036 8.108 -9.577 91 H SER 13 H SER 13 14.584 5.890 -4.116 92 HA SER 13 HA SER 13 13.061 5.094 -2.675 93 1HB SER 13 1HB SER 13 13.224 7.922 -1.633 94 2HB SER 13 2HB SER 13 12.588 6.541 -0.702 95 HG SER 13 HG SER 13 14.631 5.568 -0.774 96 H CYS 14 H CYS 14 11.872 5.693 -5.081 97 HA CYS 14 HA CYS 14 9.573 7.327 -4.849 98 1HB CYS 14 1HB CYS 14 9.002 6.650 -6.977 99 2HB CYS 14 2HB CYS 14 10.769 6.685 -6.939 100 H THR 15 H THR 15 9.883 4.328 -3.362 101 HA THR 15 HA THR 15 6.949 3.978 -3.046 102 HB THR 15 HB THR 15 7.753 2.682 -5.085 103 HG1 THR 15 HG1 THR 15 6.543 0.854 -4.418 104 1HG2 THR 15 3HG2 THR 15 9.898 1.845 -3.927 105 2HG2 THR 15 2HG2 THR 15 8.848 0.741 -3.007 106 3HG2 THR 15 1HG2 THR 15 8.920 0.612 -4.771 107 H VAL 16 H VAL 16 6.622 1.937 -1.688 108 HA VAL 16 HA VAL 16 8.704 1.195 0.179 109 HB VAL 16 HB VAL 16 5.979 2.119 1.215 110 1HG1 VAL 16 2HG1 VAL 16 8.245 0.737 2.712 111 2HG1 VAL 16 3HG1 VAL 16 6.854 1.554 3.476 112 3HG1 VAL 16 1HG1 VAL 16 6.587 0.146 2.469 113 1HG2 VAL 16 1HG2 VAL 16 8.782 3.186 1.759 114 2HG2 VAL 16 2HG2 VAL 16 7.461 4.029 0.929 115 3HG2 VAL 16 3HG2 VAL 16 7.326 3.671 2.653 116 H ASP 17 H ASP 17 8.476 -0.946 0.811 117 HA ASP 17 HA ASP 17 7.424 -2.711 -1.087 118 1HB ASP 17 1HB ASP 17 9.342 -2.967 0.514 119 2HB ASP 17 2HB ASP 17 8.179 -3.341 1.770 120 H TRP 18 H TRP 18 5.540 -1.253 1.354 121 HA TRP 18 HA TRP 18 3.610 -3.310 1.904 122 1HB TRP 18 1HB TRP 18 2.368 -1.600 3.004 123 2HB TRP 18 2HB TRP 18 4.050 -1.475 3.452 124 HD1 TRP 18 HD1 TRP 18 3.600 0.186 0.152 125 HE1 TRP 18 HE1 TRP 18 3.453 2.648 0.382 126 HE3 TRP 18 HE3 TRP 18 3.000 0.475 5.247 127 HZ2 TRP 18 HZ2 TRP 18 3.200 4.626 2.499 128 HZ3 TRP 18 HZ3 TRP 18 2.825 2.697 6.333 129 HH2 TRP 18 HH2 TRP 18 2.965 4.782 4.968 130 H GLY 19 H GLY 19 4.110 -1.874 -0.975 131 1HA GLY 19 2HA GLY 19 2.928 -1.984 -2.979 132 2HA GLY 19 1HA GLY 19 2.006 -0.761 -2.132 133 H THR 20 H THR 20 2.120 -4.361 -2.047 134 HA THR 20 HA THR 20 -0.518 -4.613 -3.150 135 HB THR 20 HB THR 20 1.044 -6.736 -1.586 136 HG1 THR 20 HG1 THR 20 1.870 -7.233 -3.673 137 1HG2 THR 20 2HG2 THR 20 -0.942 -6.997 -3.900 138 2HG2 THR 20 1HG2 THR 20 -0.023 -8.319 -3.180 139 3HG2 THR 20 3HG2 THR 20 -1.249 -7.490 -2.218 140 H ALA 21 H ALA 21 0.547 -4.459 0.216 141 HA ALA 21 HA ALA 21 -1.929 -5.398 1.374 142 1HB ALA 21 2HB ALA 21 0.218 -5.390 2.608 143 2HB ALA 21 1HB ALA 21 -1.056 -4.481 3.444 144 3HB ALA 21 3HB ALA 21 0.222 -3.609 2.587 145 H ILE 22 H ILE 22 -0.575 -2.029 0.869 146 HA ILE 22 HA ILE 22 -3.014 -0.786 1.512 147 HB ILE 22 HB ILE 22 -2.034 1.205 0.703 148 1HG1 ILE 22 1HG1 ILE 22 0.381 -0.287 -0.349 149 2HG1 ILE 22 2HG1 ILE 22 -0.940 0.286 -1.383 150 1HG2 ILE 22 1HG2 ILE 22 -1.326 0.211 2.902 151 2HG2 ILE 22 2HG2 ILE 22 0.147 -0.387 2.130 152 3HG2 ILE 22 3HG2 ILE 22 -0.169 1.357 2.234 153 1HD1 ILE 22 3HD1 ILE 22 -0.577 2.601 -0.712 154 2HD1 ILE 22 1HD1 ILE 22 0.768 2.070 0.331 155 3HD1 ILE 22 2HD1 ILE 22 0.877 1.877 -1.443 156 H GLY 23 H GLY 23 -1.887 -2.207 -1.549 157 1HA GLY 23 2HA GLY 23 -2.973 -2.476 -3.569 158 2HA GLY 23 1HA GLY 23 -3.825 -0.958 -3.255 159 H ASN 24 H ASN 24 -3.833 -4.113 -1.503 160 HA ASN 24 HA ASN 24 -6.492 -4.925 -2.201 161 1HB ASN 24 1HB ASN 24 -4.790 -6.447 -1.315 162 2HB ASN 24 2HB ASN 24 -4.767 -5.550 0.228 163 1HD2 ASN 24 1HD2 ASN 24 -6.865 -7.522 -1.942 164 2HD2 ASN 24 2HD2 ASN 24 -7.907 -8.059 -0.633 165 H ILE 25 H ILE 25 -5.283 -3.057 0.621 166 HA ILE 25 HA ILE 25 -7.768 -2.468 1.852 167 HB ILE 25 HB ILE 25 -5.166 -0.952 1.802 168 1HG1 ILE 25 1HG1 ILE 25 -6.621 -2.258 4.127 169 2HG1 ILE 25 2HG1 ILE 25 -5.592 -3.199 3.051 170 1HG2 ILE 25 2HG2 ILE 25 -7.742 -0.206 3.296 171 2HG2 ILE 25 3HG2 ILE 25 -6.160 0.496 3.647 172 3HG2 ILE 25 1HG2 ILE 25 -6.931 0.789 2.081 173 1HD1 ILE 25 3HD1 ILE 25 -3.638 -1.788 3.611 174 2HD1 ILE 25 1HD1 ILE 25 -4.646 -0.848 4.730 175 3HD1 ILE 25 2HD1 ILE 25 -4.382 -2.561 5.048 176 H GLY 26 H GLY 26 -6.076 -0.356 -0.556 177 1HA GLY 26 2HA GLY 26 -6.924 1.104 -2.135 178 2HA GLY 26 1HA GLY 26 -8.123 1.537 -0.913 179 H ASN 27 H ASN 27 -7.617 -1.434 -2.850 180 HA ASN 27 HA ASN 27 -9.752 -1.058 -4.665 181 1HB ASN 27 1HB ASN 27 -7.888 -2.631 -5.034 182 2HB ASN 27 2HB ASN 27 -8.441 -3.623 -3.674 183 1HD2 ASN 27 1HD2 ASN 27 -9.575 -2.306 -6.860 184 2HD2 ASN 27 2HD2 ASN 27 -10.590 -3.702 -7.178 185 H ASN 28 H ASN 28 -9.759 -3.211 -1.708 186 HA ASN 28 HA ASN 28 -12.581 -3.695 -2.067 187 1HB ASN 28 1HB ASN 28 -10.976 -5.374 -1.223 188 2HB ASN 28 2HB ASN 28 -10.672 -4.369 0.198 189 1HD2 ASN 28 1HD2 ASN 28 -11.723 -5.222 1.965 190 2HD2 ASN 28 2HD2 ASN 28 -13.318 -5.992 1.891 191 H ALA 29 H ALA 29 -10.815 -1.256 -0.128 192 HA ALA 29 HA ALA 29 -13.037 -0.333 1.387 193 1HB ALA 29 3HB ALA 29 -10.745 0.478 1.759 194 2HB ALA 29 1HB ALA 29 -10.715 1.206 0.140 195 3HB ALA 29 2HB ALA 29 -11.797 1.843 1.379 196 H ALA 30 H ALA 30 -11.971 0.601 -1.960 197 HA ALA 30 HA ALA 30 -14.202 2.287 -2.474 198 1HB ALA 30 1HB ALA 30 -12.343 0.781 -4.357 199 2HB ALA 30 2HB ALA 30 -13.438 2.079 -4.844 200 3HB ALA 30 3HB ALA 30 -12.091 2.428 -3.730 201 H ALA 31 H ALA 31 -13.821 -1.233 -2.817 202 HA ALA 31 HA ALA 31 -16.240 -1.517 -4.449 203 1HB ALA 31 2HB ALA 31 -14.197 -2.977 -4.674 204 2HB ALA 31 1HB ALA 31 -15.714 -3.873 -4.461 205 3HB ALA 31 3HB ALA 31 -14.575 -3.697 -3.115 206 H ASN 32 H ASN 32 -15.692 -1.654 -0.965 207 HA ASN 32 HA ASN 32 -18.416 -2.811 -0.576 208 1HB ASN 32 1HB ASN 32 -16.491 -4.400 -0.339 209 2HB ASN 32 2HB ASN 32 -15.891 -3.434 1.002 210 1HD2 ASN 32 1HD2 ASN 32 -18.703 -5.331 -0.141 211 2HD2 ASN 32 2HD2 ASN 32 -19.231 -5.783 1.484 212 H TRP 33 H TRP 33 -16.253 -0.266 0.580 213 HA TRP 33 HA TRP 33 -18.093 0.415 2.846 214 1HB TRP 33 1HB TRP 33 -15.373 1.438 1.969 215 2HB TRP 33 2HB TRP 33 -16.432 2.398 2.968 216 HD1 TRP 33 HD1 TRP 33 -16.160 2.208 5.405 217 HE1 TRP 33 HE1 TRP 33 -15.173 0.537 7.079 218 HE3 TRP 33 HE3 TRP 33 -14.779 -1.493 2.139 219 HZ2 TRP 33 HZ2 TRP 33 -13.977 -2.105 7.015 220 HZ3 TRP 33 HZ3 TRP 33 -13.639 -3.547 2.995 221 HH2 TRP 33 HH2 TRP 33 -13.235 -3.839 5.413 222 H ALA 34 H ALA 34 -18.845 2.570 3.011 223 HA ALA 34 HA ALA 34 -20.216 3.560 0.647 224 1HB ALA 34 1HB ALA 34 -21.283 3.517 2.858 225 2HB ALA 34 2HB ALA 34 -20.030 4.588 3.515 226 3HB ALA 34 3HB ALA 34 -21.143 5.183 2.289 227 H THR 35 H THR 35 -17.089 3.980 1.460 228 HA THR 35 HA THR 35 -15.413 5.448 1.297 229 HB THR 35 HB THR 35 -15.064 6.555 -0.787 230 HG1 THR 35 HG1 THR 35 -16.647 6.473 -2.354 231 1HG2 THR 35 1HG2 THR 35 -14.736 4.086 -0.705 232 2HG2 THR 35 3HG2 THR 35 -16.430 3.856 -1.182 233 3HG2 THR 35 2HG2 THR 35 -15.302 4.629 -2.302 234 H GLY 36 H GLY 36 -17.682 6.449 2.816 235 1HA GLY 36 2HA GLY 36 -18.516 8.511 3.729 236 2HA GLY 36 1HA GLY 36 -17.492 9.414 2.631 237 H GLY 37 H GLY 37 -17.660 10.187 5.216 238 1HA GLY 37 2HA GLY 37 -16.479 10.733 7.117 239 2HA GLY 37 1HA GLY 37 -15.019 10.331 6.205 240 H ASN 38 H ASN 38 -17.268 7.816 6.639 241 HA ASN 38 HA ASN 38 -16.177 6.397 8.939 242 1HB ASN 38 1HB ASN 38 -17.603 4.590 8.081 243 2HB ASN 38 2HB ASN 38 -18.457 6.100 8.266 244 1HD2 ASN 38 1HD2 ASN 38 -19.583 6.886 6.485 245 2HD2 ASN 38 2HD2 ASN 38 -19.443 6.183 4.877 246 H ALA 39 H ALA 39 -14.373 7.223 6.499 247 HA ALA 39 HA ALA 39 -13.352 5.246 5.008 248 1HB ALA 39 2HB ALA 39 -11.723 7.351 6.500 249 2HB ALA 39 1HB ALA 39 -12.651 7.618 5.002 250 3HB ALA 39 3HB ALA 39 -11.256 6.539 4.995 251 H GLY 40 H GLY 40 -12.432 3.373 5.151 252 1HA GLY 40 2HA GLY 40 -11.921 1.785 7.352 253 2HA GLY 40 1HA GLY 40 -10.377 2.596 7.032 254 H TRP 41 H TRP 41 -10.118 -0.403 4.921 255 HA TRP 41 HA TRP 41 -10.086 0.321 7.830 256 1HB TRP 41 1HB TRP 41 -10.359 -1.881 8.388 257 2HB TRP 41 2HB TRP 41 -11.443 -1.706 7.034 258 HD1 TRP 41 HD1 TRP 41 -8.494 -3.543 8.285 259 HE1 TRP 41 HE1 TRP 41 -7.434 -5.056 6.522 260 HE3 TRP 41 HE3 TRP 41 -11.171 -1.998 4.205 261 HZ2 TRP 41 HZ2 TRP 41 -7.821 -5.663 3.721 262 HZ3 TRP 41 HZ3 TRP 41 -10.730 -2.985 1.979 263 HH2 TRP 41 HH2 TRP 41 -9.079 -4.880 1.736 264 H ASN 42 H ASN 42 -8.181 -0.991 8.879 265 HA ASN 42 HA ASN 42 -5.835 -1.122 7.142 266 1HB ASN 42 1HB ASN 42 -5.892 1.174 8.266 267 2HB ASN 42 2HB ASN 42 -5.649 0.357 9.801 268 1HD2 ASN 42 1HD2 ASN 42 -4.231 0.582 6.493 269 2HD2 ASN 42 2HD2 ASN 42 -2.575 0.428 7.050 270 H LYS 43 H LYS 43 -4.104 -2.455 7.973 271 HA LYS 43 HA LYS 43 -4.713 -4.369 10.162 272 1HB LYS 43 1HB LYS 43 -4.284 -6.299 8.649 273 2HB LYS 43 2HB LYS 43 -5.802 -5.485 8.369 274 1HG LYS 43 1HG LYS 43 -5.284 -4.685 6.325 275 2HG LYS 43 2HG LYS 43 -3.560 -4.552 6.617 276 1HD LYS 43 1HD LYS 43 -5.083 -7.139 6.109 277 2HD LYS 43 2HD LYS 43 -4.058 -6.297 4.938 278 1HE LYS 43 1HE LYS 43 -3.203 -7.754 7.465 279 2HE LYS 43 2HE LYS 43 -2.833 -8.165 5.793 280 1HZ LYS 43 2HZ LYS 43 -1.532 -6.116 5.663 281 2HZ LYS 43 1HZ LYS 43 -1.824 -5.789 7.244 282 3HZ LYS 43 3HZ LYS 43 -0.931 -7.079 6.836 No H/Q in entry = 282 Start of MODEL 9 1 H1 LYS 1 3H LYS 1 -12.472 -0.740 9.635 2 H2 LYS 1 2H LYS 1 -10.881 -0.845 9.258 3 H3 LYS 1 1H LYS 1 -11.444 0.505 9.974 4 HA LYS 1 HA LYS 1 -12.834 1.044 8.130 5 1HB LYS 1 1HB LYS 1 -10.637 2.080 8.234 6 2HB LYS 1 2HB LYS 1 -9.920 0.711 7.383 7 1HG LYS 1 1HG LYS 1 -11.338 1.227 5.393 8 2HG LYS 1 2HG LYS 1 -12.080 2.561 6.257 9 1HD LYS 1 1HD LYS 1 -9.062 2.366 5.668 10 2HD LYS 1 2HD LYS 1 -10.220 3.150 4.612 11 1HE LYS 1 1HE LYS 1 -10.864 4.730 6.418 12 2HE LYS 1 2HE LYS 1 -9.725 3.935 7.514 13 1HZ LYS 1 2HZ LYS 1 -7.916 4.584 6.012 14 2HZ LYS 1 1HZ LYS 1 -8.959 5.347 5.013 15 3HZ LYS 1 3HZ LYS 1 -8.751 5.890 6.531 16 H TYR 2 H TYR 2 -10.528 -1.321 6.663 17 HA TYR 2 HA TYR 2 -12.332 -1.735 4.513 18 1HB TYR 2 1HB TYR 2 -9.923 -3.375 5.317 19 2HB TYR 2 2HB TYR 2 -10.607 -3.203 3.679 20 HD1 TYR 2 HD1 TYR 2 -7.804 -2.296 5.497 21 HD2 TYR 2 HD2 TYR 2 -10.901 -0.487 3.086 22 HE1 TYR 2 HE1 TYR 2 -6.327 -0.339 5.041 23 HE2 TYR 2 HE2 TYR 2 -9.359 1.411 2.571 24 HH TYR 2 HH TYR 2 -7.306 2.371 3.024 25 H TYR 3 H TYR 3 -12.880 -3.883 3.673 26 HA TYR 3 HA TYR 3 -13.962 -5.920 5.444 27 1HB TYR 3 1HB TYR 3 -15.561 -4.418 6.143 28 2HB TYR 3 2HB TYR 3 -15.606 -3.534 4.646 29 HD1 TYR 3 HD1 TYR 3 -16.649 -6.814 6.203 30 HD2 TYR 3 HD2 TYR 3 -17.318 -3.950 3.033 31 HE1 TYR 3 HE1 TYR 3 -18.710 -8.022 5.528 32 HE2 TYR 3 HE2 TYR 3 -19.350 -5.152 2.377 33 HH TYR 3 HH TYR 3 -20.456 -8.122 4.038 34 H GLY 4 H GLY 4 -14.659 -4.258 2.288 35 1HA GLY 4 2HA GLY 4 -15.516 -6.691 1.041 36 2HA GLY 4 1HA GLY 4 -13.947 -6.145 0.416 37 H ASN 5 H ASN 5 -15.600 -6.259 -1.424 38 HA ASN 5 HA ASN 5 -16.070 -5.094 -3.281 39 1HB ASN 5 1HB ASN 5 -18.110 -6.110 -2.378 40 2HB ASN 5 2HB ASN 5 -18.478 -4.634 -1.505 41 1HD2 ASN 5 1HD2 ASN 5 -17.825 -5.763 -4.910 42 2HD2 ASN 5 2HD2 ASN 5 -18.961 -4.649 -5.626 43 H GLY 6 H GLY 6 -17.718 -2.753 -1.357 44 1HA GLY 6 2HA GLY 6 -18.142 -0.562 -2.451 45 2HA GLY 6 1HA GLY 6 -16.495 -0.556 -3.019 46 H VAL 7 H VAL 7 -16.232 -1.536 0.130 47 HA VAL 7 HA VAL 7 -16.812 0.783 1.683 48 HB VAL 7 HB VAL 7 -16.558 -1.629 2.339 49 1HG1 VAL 7 1HG1 VAL 7 -14.273 -1.990 1.326 50 2HG1 VAL 7 2HG1 VAL 7 -13.584 -0.938 2.565 51 3HG1 VAL 7 3HG1 VAL 7 -14.373 -2.441 3.045 52 1HG2 VAL 7 3HG2 VAL 7 -16.820 0.222 3.963 53 2HG2 VAL 7 1HG2 VAL 7 -15.931 -1.171 4.597 54 3HG2 VAL 7 2HG2 VAL 7 -15.030 0.282 4.114 55 H HIS 8 H HIS 8 -14.156 0.165 -0.320 56 HA HIS 8 HA HIS 8 -11.998 1.162 1.228 57 1HB HIS 8 1HB HIS 8 -12.060 0.864 -1.786 58 2HB HIS 8 2HB HIS 8 -10.648 0.739 -0.729 59 HD1 HIS 8 HD1 HIS 8 -13.250 -1.382 -2.390 60 HD2 HIS 8 HD2 HIS 8 -10.688 -1.522 0.972 61 HE1 HIS 8 HE1 HIS 8 -13.303 -3.774 -1.546 62 HE2 HIS 8 HE2 HIS 8 -11.709 -3.892 0.467 63 H CYS 9 H CYS 9 -10.475 2.803 0.739 64 HA CYS 9 HA CYS 9 -11.122 5.372 -0.419 65 1HB CYS 9 1HB CYS 9 -8.531 5.348 -0.652 66 2HB CYS 9 2HB CYS 9 -9.216 5.380 0.966 67 H GLY 10 H GLY 10 -10.020 6.077 -2.508 68 1HA GLY 10 2HA GLY 10 -11.298 5.442 -4.660 69 2HA GLY 10 1HA GLY 10 -10.327 3.976 -4.630 70 H LYS 11 H LYS 11 -10.208 5.110 -6.751 71 HA LYS 11 HA LYS 11 -8.941 5.765 -8.480 72 1HB LYS 11 1HB LYS 11 -9.062 8.035 -8.879 73 2HB LYS 11 2HB LYS 11 -10.429 7.612 -7.862 74 1HG LYS 11 1HG LYS 11 -9.140 8.504 -5.884 75 2HG LYS 11 2HG LYS 11 -7.885 9.045 -7.000 76 1HD LYS 11 1HD LYS 11 -10.794 9.952 -7.103 77 2HD LYS 11 2HD LYS 11 -9.458 10.820 -6.318 78 1HE LYS 11 1HE LYS 11 -8.291 10.972 -8.526 79 2HE LYS 11 2HE LYS 11 -9.631 10.147 -9.288 80 1HZ LYS 11 1HZ LYS 11 -11.086 11.982 -8.611 81 2HZ LYS 11 3HZ LYS 11 -9.836 12.756 -7.902 82 3HZ LYS 11 2HZ LYS 11 -9.852 12.552 -9.505 83 H HIS 12 H HIS 12 -7.039 5.470 -5.848 84 HA HIS 12 HA HIS 12 -4.561 5.843 -7.460 85 1HB HIS 12 1HB HIS 12 -4.827 6.212 -4.442 86 2HB HIS 12 2HB HIS 12 -3.400 6.477 -5.419 87 HD1 HIS 12 HD1 HIS 12 -3.627 8.660 -7.183 88 HD2 HIS 12 HD2 HIS 12 -6.367 8.236 -4.005 89 HE1 HIS 12 HE1 HIS 12 -4.713 10.973 -6.850 90 HE2 HIS 12 HE2 HIS 12 -6.391 10.694 -4.906 91 H SER 13 H SER 13 -3.470 4.511 -4.822 92 HA SER 13 HA SER 13 -3.975 1.655 -5.610 93 1HB SER 13 1HB SER 13 -1.449 2.824 -4.374 94 2HB SER 13 2HB SER 13 -1.701 1.144 -4.902 95 HG SER 13 HG SER 13 -2.041 1.981 -7.010 96 H CYS 14 H CYS 14 -4.795 3.741 -3.228 97 HA CYS 14 HA CYS 14 -4.392 2.159 -0.828 98 1HB CYS 14 1HB CYS 14 -4.692 4.607 -0.852 99 2HB CYS 14 2HB CYS 14 -6.318 4.409 -1.531 100 H THR 15 H THR 15 -6.925 2.413 -3.231 101 HA THR 15 HA THR 15 -9.057 0.971 -2.418 102 HB THR 15 HB THR 15 -7.777 0.344 -5.093 103 HG1 THR 15 HG1 THR 15 -8.386 2.325 -5.831 104 1HG2 THR 15 3HG2 THR 15 -10.642 1.001 -4.304 105 2HG2 THR 15 2HG2 THR 15 -10.042 0.654 -5.934 106 3HG2 THR 15 1HG2 THR 15 -10.031 -0.621 -4.701 107 H VAL 16 H VAL 16 -9.791 -1.140 -2.463 108 HA VAL 16 HA VAL 16 -9.905 -3.374 -2.275 109 HB VAL 16 HB VAL 16 -6.976 -3.676 -3.109 110 1HG1 VAL 16 3HG1 VAL 16 -9.235 -5.715 -3.014 111 2HG1 VAL 16 1HG1 VAL 16 -7.674 -5.954 -3.799 112 3HG1 VAL 16 2HG1 VAL 16 -7.710 -5.689 -2.065 113 1HG2 VAL 16 3HG2 VAL 16 -9.539 -3.777 -4.785 114 2HG2 VAL 16 1HG2 VAL 16 -8.269 -2.550 -4.936 115 3HG2 VAL 16 2HG2 VAL 16 -7.930 -4.226 -5.363 116 H ASP 17 H ASP 17 -9.536 -5.002 -0.760 117 HA ASP 17 HA ASP 17 -9.463 -4.061 1.846 118 1HB ASP 17 1HB ASP 17 -10.587 -6.093 0.839 119 2HB ASP 17 2HB ASP 17 -9.059 -6.918 0.890 120 H TRP 18 H TRP 18 -6.690 -4.985 0.050 121 HA TRP 18 HA TRP 18 -4.900 -5.817 2.173 122 1HB TRP 18 1HB TRP 18 -3.196 -5.701 0.487 123 2HB TRP 18 2HB TRP 18 -4.618 -6.515 -0.124 124 HD1 TRP 18 HD1 TRP 18 -5.262 -2.855 -0.372 125 HE1 TRP 18 HE1 TRP 18 -4.994 -2.066 -2.682 126 HE3 TRP 18 HE3 TRP 18 -2.846 -6.928 -2.383 127 HZ2 TRP 18 HZ2 TRP 18 -3.646 -2.858 -5.145 128 HZ3 TRP 18 HZ3 TRP 18 -2.075 -6.842 -4.746 129 HH2 TRP 18 HH2 TRP 18 -2.478 -4.813 -6.118 130 H GLY 19 H GLY 19 -6.227 -2.851 1.867 131 1HA GLY 19 2HA GLY 19 -5.700 -0.663 2.358 132 2HA GLY 19 1HA GLY 19 -4.302 -0.984 1.328 133 H THR 20 H THR 20 -4.702 -2.431 4.577 134 HA THR 20 HA THR 20 -2.875 -0.531 5.829 135 HB THR 20 HB THR 20 -2.856 -2.248 7.696 136 HG1 THR 20 HG1 THR 20 -4.358 -3.927 7.535 137 1HG2 THR 20 2HG2 THR 20 -4.536 -0.422 7.686 138 2HG2 THR 20 1HG2 THR 20 -5.698 -1.551 6.902 139 3HG2 THR 20 3HG2 THR 20 -5.064 -1.868 8.535 140 H ALA 21 H ALA 21 -2.506 -3.703 4.320 141 HA ALA 21 HA ALA 21 0.293 -4.035 5.074 142 1HB ALA 21 2HB ALA 21 -1.076 -5.975 4.391 143 2HB ALA 21 1HB ALA 21 0.344 -5.757 3.340 144 3HB ALA 21 3HB ALA 21 -1.254 -5.267 2.765 145 H ILE 22 H ILE 22 -1.363 -2.765 2.145 146 HA ILE 22 HA ILE 22 0.975 -1.869 0.802 147 HB ILE 22 HB ILE 22 -1.829 -0.677 0.666 148 1HG1 ILE 22 1HG1 ILE 22 -2.051 -2.999 0.168 149 2HG1 ILE 22 2HG1 ILE 22 -2.137 -2.129 -1.338 150 1HG2 ILE 22 1HG2 ILE 22 0.492 -0.580 -1.326 151 2HG2 ILE 22 2HG2 ILE 22 -1.170 -0.003 -1.615 152 3HG2 ILE 22 3HG2 ILE 22 -0.166 0.796 -0.415 153 1HD1 ILE 22 1HD1 ILE 22 0.188 -2.787 -1.893 154 2HD1 ILE 22 2HD1 ILE 22 0.265 -3.719 -0.368 155 3HD1 ILE 22 3HD1 ILE 22 -0.906 -4.159 -1.631 156 H GLY 23 H GLY 23 -0.970 -0.207 3.337 157 1HA GLY 23 2HA GLY 23 -0.516 1.660 4.604 158 2HA GLY 23 1HA GLY 23 0.404 2.283 3.224 159 H ASN 24 H ASN 24 0.949 -0.623 5.203 160 HA ASN 24 HA ASN 24 3.207 0.297 6.725 161 1HB ASN 24 1HB ASN 24 1.792 -1.647 7.333 162 2HB ASN 24 2HB ASN 24 2.446 -2.525 5.931 163 1HD2 ASN 24 1HD2 ASN 24 3.726 -4.132 6.877 164 2HD2 ASN 24 2HD2 ASN 24 4.954 -3.747 8.081 165 H ILE 25 H ILE 25 3.082 -1.628 3.659 166 HA ILE 25 HA ILE 25 5.849 -1.670 3.087 167 HB ILE 25 HB ILE 25 3.404 -1.691 1.316 168 1HG1 ILE 25 1HG1 ILE 25 5.424 -3.923 1.748 169 2HG1 ILE 25 2HG1 ILE 25 4.131 -3.676 2.893 170 1HG2 ILE 25 3HG2 ILE 25 6.337 -2.001 0.505 171 2HG2 ILE 25 1HG2 ILE 25 4.959 -2.416 -0.527 172 3HG2 ILE 25 2HG2 ILE 25 5.187 -0.739 -0.062 173 1HD1 ILE 25 3HD1 ILE 25 2.432 -3.965 1.122 174 2HD1 ILE 25 1HD1 ILE 25 3.720 -4.326 -0.046 175 3HD1 ILE 25 2HD1 ILE 25 3.459 -5.393 1.353 176 H GLY 26 H GLY 26 3.440 0.797 2.092 177 1HA GLY 26 2HA GLY 26 3.673 2.996 1.523 178 2HA GLY 26 1HA GLY 26 5.197 2.526 0.755 179 H ASN 27 H ASN 27 4.280 2.572 4.198 180 HA ASN 27 HA ASN 27 5.820 4.811 5.065 181 1HB ASN 27 1HB ASN 27 4.042 3.738 6.385 182 2HB ASN 27 2HB ASN 27 5.019 2.288 6.590 183 1HD2 ASN 27 1HD2 ASN 27 4.956 5.848 7.245 184 2HD2 ASN 27 2HD2 ASN 27 5.962 5.710 8.691 185 H ASN 28 H ASN 28 6.795 1.370 4.836 186 HA ASN 28 HA ASN 28 9.497 1.943 5.844 187 1HB ASN 28 1HB ASN 28 8.159 -0.513 4.659 188 2HB ASN 28 2HB ASN 28 9.876 -0.488 5.043 189 1HD2 ASN 28 1HD2 ASN 28 6.659 -0.336 6.498 190 2HD2 ASN 28 2HD2 ASN 28 7.201 -0.724 8.116 191 H ALA 29 H ALA 29 8.054 1.594 2.608 192 HA ALA 29 HA ALA 29 10.428 1.809 1.072 193 1HB ALA 29 2HB ALA 29 8.220 1.269 0.073 194 2HB ALA 29 1HB ALA 29 8.947 2.664 -0.692 195 3HB ALA 29 3HB ALA 29 7.651 2.924 0.486 196 H ALA 30 H ALA 30 8.337 4.401 2.450 197 HA ALA 30 HA ALA 30 10.050 6.554 1.687 198 1HB ALA 30 1HB ALA 30 7.972 6.327 3.896 199 2HB ALA 30 2HB ALA 30 8.647 7.853 3.279 200 3HB ALA 30 3HB ALA 30 7.663 6.818 2.233 201 H ALA 31 H ALA 31 10.187 4.370 4.484 202 HA ALA 31 HA ALA 31 12.040 6.033 5.991 203 1HB ALA 31 3HB ALA 31 11.363 3.072 6.298 204 2HB ALA 31 1HB ALA 31 12.123 4.113 7.488 205 3HB ALA 31 2HB ALA 31 10.447 4.419 7.028 206 H ASN 32 H ASN 32 12.463 3.181 3.858 207 HA ASN 32 HA ASN 32 15.416 3.388 4.241 208 1HB ASN 32 1HB ASN 32 14.119 1.628 5.546 209 2HB ASN 32 2HB ASN 32 13.670 0.924 3.990 210 1HD2 ASN 32 1HD2 ASN 32 14.898 -0.949 3.690 211 2HD2 ASN 32 2HD2 ASN 32 16.608 -1.035 4.071 212 H TRP 33 H TRP 33 13.095 3.361 1.753 213 HA TRP 33 HA TRP 33 15.171 2.694 -0.319 214 1HB TRP 33 1HB TRP 33 12.338 1.649 -0.161 215 2HB TRP 33 2HB TRP 33 13.405 1.471 -1.560 216 HD1 TRP 33 HD1 TRP 33 15.834 0.227 -0.988 217 HE1 TRP 33 HE1 TRP 33 16.261 -1.914 0.348 218 HE3 TRP 33 HE3 TRP 33 11.545 0.158 1.804 219 HZ2 TRP 33 HZ2 TRP 33 14.847 -3.546 2.271 220 HZ3 TRP 33 HZ3 TRP 33 11.101 -1.719 3.370 221 HH2 TRP 33 HH2 TRP 33 12.732 -3.571 3.583 222 H ALA 34 H ALA 34 13.681 5.289 0.669 223 HA ALA 34 HA ALA 34 12.089 6.382 -1.355 224 1HB ALA 34 2HB ALA 34 14.002 7.810 0.522 225 2HB ALA 34 3HB ALA 34 12.558 8.496 -0.268 226 3HB ALA 34 1HB ALA 34 12.350 7.243 0.953 227 H THR 35 H THR 35 15.384 5.656 -1.751 228 HA THR 35 HA THR 35 16.180 7.617 -3.707 229 HB THR 35 HB THR 35 17.734 5.791 -4.465 230 HG1 THR 35 HG1 THR 35 17.836 3.971 -3.117 231 1HG2 THR 35 2HG2 THR 35 18.392 7.455 -2.785 232 2HG2 THR 35 1HG2 THR 35 17.750 6.436 -1.476 233 3HG2 THR 35 3HG2 THR 35 19.128 5.869 -2.433 234 H GLY 36 H GLY 36 13.898 5.036 -3.869 235 1HA GLY 36 2HA GLY 36 13.807 4.996 -6.838 236 2HA GLY 36 1HA GLY 36 12.522 5.889 -6.057 237 H GLY 37 H GLY 37 13.043 3.288 -3.987 238 1HA GLY 37 2HA GLY 37 10.732 1.802 -4.947 239 2HA GLY 37 1HA GLY 37 11.739 1.422 -3.553 240 H ASN 38 H ASN 38 13.944 1.655 -5.954 241 HA ASN 38 HA ASN 38 13.974 -1.271 -6.469 242 1HB ASN 38 1HB ASN 38 12.946 -0.245 -8.421 243 2HB ASN 38 2HB ASN 38 14.297 0.889 -8.584 244 1HD2 ASN 38 1HD2 ASN 38 15.696 0.259 -10.229 245 2HD2 ASN 38 2HD2 ASN 38 16.033 -1.418 -10.608 246 H ALA 39 H ALA 39 17.384 -0.794 -5.402 247 HA ALA 39 HA ALA 39 15.334 -2.759 -5.424 248 1HB ALA 39 1HB ALA 39 17.670 -3.131 -4.653 249 2HB ALA 39 3HB ALA 39 16.497 -3.595 -3.425 250 3HB ALA 39 2HB ALA 39 17.395 -2.063 -3.269 251 H GLY 40 H GLY 40 13.973 -3.379 -3.546 252 1HA GLY 40 2HA GLY 40 12.159 -1.259 -2.814 253 2HA GLY 40 1HA GLY 40 13.083 -1.820 -1.401 254 H TRP 41 H TRP 41 10.545 -2.092 -1.160 255 HA TRP 41 HA TRP 41 10.337 -4.981 -0.909 256 1HB TRP 41 1HB TRP 41 10.164 -3.366 0.969 257 2HB TRP 41 2HB TRP 41 8.663 -2.750 0.300 258 HD1 TRP 41 HD1 TRP 41 8.631 -6.455 0.015 259 HE1 TRP 41 HE1 TRP 41 7.306 -7.518 1.918 260 HE3 TRP 41 HE3 TRP 41 8.404 -2.419 3.126 261 HZ2 TRP 41 HZ2 TRP 41 6.267 -6.720 4.498 262 HZ3 TRP 41 HZ3 TRP 41 7.273 -2.638 5.367 263 HH2 TRP 41 HH2 TRP 41 6.233 -4.747 6.043 264 H ASN 42 H ASN 42 7.274 -4.320 -0.606 265 HA ASN 42 HA ASN 42 5.449 -5.285 -1.455 266 1HB ASN 42 1HB ASN 42 6.583 -4.615 -4.189 267 2HB ASN 42 2HB ASN 42 5.033 -5.413 -3.948 268 1HD2 ASN 42 1HD2 ASN 42 3.308 -4.262 -2.802 269 2HD2 ASN 42 2HD2 ASN 42 3.367 -2.493 -2.845 270 H LYS 43 H LYS 43 4.640 -7.226 -2.521 271 HA LYS 43 HA LYS 43 6.235 -9.486 -1.673 272 1HB LYS 43 1HB LYS 43 3.538 -9.454 -3.097 273 2HB LYS 43 2HB LYS 43 4.300 -10.829 -2.323 274 1HG LYS 43 1HG LYS 43 4.352 -9.548 -0.134 275 2HG LYS 43 2HG LYS 43 3.360 -8.289 -0.913 276 1HD LYS 43 1HD LYS 43 2.626 -11.239 -0.584 277 2HD LYS 43 2HD LYS 43 2.054 -9.911 0.438 278 1HE LYS 43 1HE LYS 43 0.911 -8.902 -1.507 279 2HE LYS 43 2HE LYS 43 1.503 -10.209 -2.548 280 1HZ LYS 43 3HZ LYS 43 -0.279 -10.617 -0.222 281 2HZ LYS 43 2HZ LYS 43 -0.764 -10.616 -1.756 282 3HZ LYS 43 1HZ LYS 43 0.264 -11.789 -1.234 No H/Q in entry = 282 Start of MODEL 10 1 H1 LYS 1 3H LYS 1 12.354 6.520 -1.312 2 H2 LYS 1 2H LYS 1 12.258 5.500 -0.023 3 H3 LYS 1 1H LYS 1 12.924 6.994 0.139 4 HA LYS 1 HA LYS 1 14.693 6.446 -1.328 5 1HB LYS 1 1HB LYS 1 16.003 5.042 0.122 6 2HB LYS 1 2HB LYS 1 15.004 6.128 1.097 7 1HG LYS 1 1HG LYS 1 13.396 4.160 1.425 8 2HG LYS 1 2HG LYS 1 14.577 3.153 0.586 9 1HD LYS 1 1HD LYS 1 15.161 4.704 3.169 10 2HD LYS 1 2HD LYS 1 14.566 3.044 3.091 11 1HE LYS 1 1HE LYS 1 16.536 2.417 1.723 12 2HE LYS 1 2HE LYS 1 17.207 4.035 1.981 13 1HZ LYS 1 2HZ LYS 1 16.533 2.106 4.149 14 2HZ LYS 1 1HZ LYS 1 18.028 2.411 3.627 15 3HZ LYS 1 3HZ LYS 1 17.189 3.587 4.377 16 H TYR 2 H TYR 2 15.891 4.847 -2.523 17 HA TYR 2 HA TYR 2 15.928 3.692 -4.450 18 1HB TYR 2 1HB TYR 2 15.501 1.875 -2.102 19 2HB TYR 2 2HB TYR 2 16.309 1.383 -3.603 20 HD1 TYR 2 HD1 TYR 2 18.163 3.390 -4.310 21 HD2 TYR 2 HD2 TYR 2 16.993 2.136 -0.368 22 HE1 TYR 2 HE1 TYR 2 20.295 4.313 -3.399 23 HE2 TYR 2 HE2 TYR 2 19.130 3.025 0.543 24 HH TYR 2 HH TYR 2 21.064 4.161 0.091 25 H TYR 3 H TYR 3 14.972 0.971 -4.717 26 HA TYR 3 HA TYR 3 12.536 1.552 -6.332 27 1HB TYR 3 1HB TYR 3 13.818 0.500 -8.187 28 2HB TYR 3 2HB TYR 3 14.642 1.920 -7.574 29 HD1 TYR 3 HD1 TYR 3 14.763 -1.779 -7.808 30 HD2 TYR 3 HD2 TYR 3 16.773 1.743 -6.336 31 HE1 TYR 3 HE1 TYR 3 16.807 -3.128 -7.366 32 HE2 TYR 3 HE2 TYR 3 18.821 0.409 -5.954 33 HH TYR 3 HH TYR 3 18.948 -3.102 -6.559 34 H GLY 4 H GLY 4 11.954 -0.654 -7.558 35 1HA GLY 4 2HA GLY 4 12.775 -3.153 -6.559 36 2HA GLY 4 1HA GLY 4 11.390 -2.894 -7.600 37 H ASN 5 H ASN 5 11.672 -4.853 -5.547 38 HA ASN 5 HA ASN 5 9.063 -4.592 -4.353 39 1HB ASN 5 1HB ASN 5 9.980 -6.725 -5.149 40 2HB ASN 5 2HB ASN 5 11.270 -6.673 -3.952 41 1HD2 ASN 5 1HD2 ASN 5 7.664 -6.720 -4.266 42 2HD2 ASN 5 2HD2 ASN 5 7.448 -7.606 -2.771 43 H GLY 6 H GLY 6 12.181 -5.027 -2.641 44 1HA GLY 6 2HA GLY 6 11.968 -5.352 -0.202 45 2HA GLY 6 1HA GLY 6 10.889 -3.974 -0.139 46 H VAL 7 H VAL 7 13.301 -2.971 -2.161 47 HA VAL 7 HA VAL 7 15.501 -2.503 -0.390 48 HB VAL 7 HB VAL 7 14.895 -0.823 -2.862 49 1HG1 VAL 7 3HG1 VAL 7 17.476 -1.942 -1.698 50 2HG1 VAL 7 1HG1 VAL 7 17.325 -0.929 -3.172 51 3HG1 VAL 7 2HG1 VAL 7 16.935 -0.239 -1.604 52 1HG2 VAL 7 2HG2 VAL 7 16.034 -3.649 -2.865 53 2HG2 VAL 7 3HG2 VAL 7 14.509 -3.118 -3.653 54 3HG2 VAL 7 1HG2 VAL 7 16.029 -2.535 -4.249 55 H HIS 8 H HIS 8 12.554 -0.941 -0.632 56 HA HIS 8 HA HIS 8 13.121 1.790 0.031 57 1HB HIS 8 1HB HIS 8 10.518 0.281 0.562 58 2HB HIS 8 2HB HIS 8 10.730 1.994 0.322 59 HD1 HIS 8 HD1 HIS 8 11.584 2.694 -2.281 60 HD2 HIS 8 HD2 HIS 8 10.089 -1.176 -1.573 61 HE1 HIS 8 HE1 HIS 8 10.970 1.748 -4.554 62 HE2 HIS 8 HE2 HIS 8 10.056 -0.637 -4.111 63 H CYS 9 H CYS 9 13.753 -0.653 2.178 64 HA CYS 9 HA CYS 9 12.054 0.376 4.386 65 1HB CYS 9 1HB CYS 9 12.940 -2.445 3.726 66 2HB CYS 9 2HB CYS 9 11.848 -1.948 5.015 67 H GLY 10 H GLY 10 12.578 -0.282 6.435 68 1HA GLY 10 2HA GLY 10 14.419 0.238 8.174 69 2HA GLY 10 1HA GLY 10 15.397 -0.908 7.212 70 H LYS 11 H LYS 11 14.933 -1.339 9.900 71 HA LYS 11 HA LYS 11 14.066 -4.041 10.013 72 1HB LYS 11 1HB LYS 11 14.559 -1.991 12.170 73 2HB LYS 11 2HB LYS 11 14.295 -3.718 12.484 74 1HG LYS 11 1HG LYS 11 16.241 -4.313 11.090 75 2HG LYS 11 2HG LYS 11 16.583 -2.576 10.805 76 1HD LYS 11 1HD LYS 11 16.897 -2.295 13.273 77 2HD LYS 11 2HD LYS 11 16.598 -4.009 13.496 78 1HE LYS 11 1HE LYS 11 18.537 -4.519 11.954 79 2HE LYS 11 2HE LYS 11 18.835 -2.792 11.806 80 1HZ LYS 11 1HZ LYS 11 19.201 -2.734 14.226 81 2HZ LYS 11 3HZ LYS 11 19.014 -4.348 14.334 82 3HZ LYS 11 2HZ LYS 11 20.264 -3.744 13.483 83 H HIS 12 H HIS 12 12.176 -1.196 10.402 84 HA HIS 12 HA HIS 12 9.711 -2.830 10.925 85 1HB HIS 12 1HB HIS 12 10.249 -0.138 12.268 86 2HB HIS 12 2HB HIS 12 8.867 -1.173 12.510 87 HD1 HIS 12 HD1 HIS 12 9.593 -3.724 13.584 88 HD2 HIS 12 HD2 HIS 12 12.245 -0.459 13.956 89 HE1 HIS 12 HE1 HIS 12 11.305 -4.344 15.436 90 HE2 HIS 12 HE2 HIS 12 12.900 -2.386 15.629 91 H SER 13 H SER 13 10.491 0.628 10.272 92 HA SER 13 HA SER 13 8.313 1.207 8.649 93 1HB SER 13 1HB SER 13 11.107 2.414 8.526 94 2HB SER 13 2HB SER 13 9.617 3.138 7.895 95 HG SER 13 HG SER 13 10.184 3.848 10.024 96 H CYS 14 H CYS 14 7.694 0.065 6.845 97 HA CYS 14 HA CYS 14 9.614 -0.109 4.615 98 1HB CYS 14 1HB CYS 14 9.708 -2.190 6.066 99 2HB CYS 14 2HB CYS 14 8.027 -2.485 5.703 100 H THR 15 H THR 15 8.713 -0.533 2.562 101 HA THR 15 HA THR 15 5.857 -0.627 2.076 102 HB THR 15 HB THR 15 6.212 1.770 2.461 103 HG1 THR 15 HG1 THR 15 5.115 2.366 0.589 104 1HG2 THR 15 1HG2 THR 15 7.878 1.707 -0.102 105 2HG2 THR 15 3HG2 THR 15 7.258 3.164 0.723 106 3HG2 THR 15 2HG2 THR 15 8.463 2.156 1.526 107 H VAL 16 H VAL 16 5.662 -0.242 -0.509 108 HA VAL 16 HA VAL 16 7.706 -1.824 -1.889 109 HB VAL 16 HB VAL 16 4.746 -2.490 -1.848 110 1HG1 VAL 16 2HG1 VAL 16 7.018 -3.790 -3.401 111 2HG1 VAL 16 3HG1 VAL 16 5.412 -4.510 -3.187 112 3HG1 VAL 16 1HG1 VAL 16 5.555 -3.020 -4.095 113 1HG2 VAL 16 2HG2 VAL 16 7.117 -4.070 -0.800 114 2HG2 VAL 16 3HG2 VAL 16 5.835 -3.328 0.180 115 3HG2 VAL 16 1HG2 VAL 16 5.432 -4.658 -0.888 116 H ASP 17 H ASP 17 7.470 -1.650 -4.301 117 HA ASP 17 HA ASP 17 6.576 0.978 -5.221 118 1HB ASP 17 1HB ASP 17 8.569 -0.111 -6.141 119 2HB ASP 17 2HB ASP 17 7.567 -1.442 -6.733 120 H TRP 18 H TRP 18 4.420 0.408 -4.214 121 HA TRP 18 HA TRP 18 2.467 -0.710 -6.203 122 1HB TRP 18 1HB TRP 18 1.303 -1.815 -4.457 123 2HB TRP 18 2HB TRP 18 2.972 -2.335 -4.490 124 HD1 TRP 18 HD1 TRP 18 3.079 0.825 -2.676 125 HE1 TRP 18 HE1 TRP 18 3.093 0.502 -0.210 126 HE3 TRP 18 HE3 TRP 18 1.538 -4.081 -2.501 127 HZ2 TRP 18 HZ2 TRP 18 2.352 -1.564 1.724 128 HZ3 TRP 18 HZ3 TRP 18 1.202 -5.176 -0.291 129 HH2 TRP 18 HH2 TRP 18 1.595 -3.916 1.812 130 H GLY 19 H GLY 19 3.186 2.175 -4.956 131 1HA GLY 19 2HA GLY 19 2.036 4.143 -4.412 132 2HA GLY 19 1HA GLY 19 1.177 3.061 -3.306 133 H THR 20 H THR 20 0.906 3.041 -6.865 134 HA THR 20 HA THR 20 -1.624 4.459 -6.913 135 HB THR 20 HB THR 20 -1.654 3.637 -9.351 136 HG1 THR 20 HG1 THR 20 0.321 2.814 -10.078 137 1HG2 THR 20 2HG2 THR 20 -0.724 5.826 -8.636 138 2HG2 THR 20 1HG2 THR 20 0.878 5.080 -8.443 139 3HG2 THR 20 3HG2 THR 20 0.150 5.159 -10.050 140 H ALA 21 H ALA 21 -0.713 1.064 -6.898 141 HA ALA 21 HA ALA 21 -3.408 0.049 -7.285 142 1HB ALA 21 3HB ALA 21 -2.483 -2.061 -6.463 143 2HB ALA 21 2HB ALA 21 -0.989 -1.252 -5.970 144 3HB ALA 21 1HB ALA 21 -1.411 -1.349 -7.694 145 H ILE 22 H ILE 22 -1.428 0.809 -4.416 146 HA ILE 22 HA ILE 22 -3.395 0.225 -2.429 147 HB ILE 22 HB ILE 22 -1.104 2.224 -2.405 148 1HG1 ILE 22 1HG1 ILE 22 -0.288 -0.046 -2.720 149 2HG1 ILE 22 2HG1 ILE 22 0.119 0.562 -1.133 150 1HG2 ILE 22 2HG2 ILE 22 -2.795 1.250 -0.063 151 2HG2 ILE 22 3HG2 ILE 22 -1.221 2.067 0.099 152 3HG2 ILE 22 1HG2 ILE 22 -2.595 2.911 -0.624 153 1HD1 ILE 22 2HD1 ILE 22 -1.676 -0.831 -0.121 154 2HD1 ILE 22 3HD1 ILE 22 -2.102 -1.439 -1.731 155 3HD1 ILE 22 1HD1 ILE 22 -0.497 -1.790 -1.041 156 H GLY 23 H GLY 23 -2.751 3.258 -4.254 157 1HA GLY 23 2HA GLY 23 -4.142 5.056 -4.749 158 2HA GLY 23 1HA GLY 23 -4.749 4.885 -3.096 159 H ASN 24 H ASN 24 -4.997 2.758 -5.955 160 HA ASN 24 HA ASN 24 -7.791 3.145 -6.482 161 1HB ASN 24 1HB ASN 24 -6.193 2.153 -8.121 162 2HB ASN 24 2HB ASN 24 -6.003 0.742 -7.055 163 1HD2 ASN 24 1HD2 ASN 24 -8.422 2.521 -9.056 164 2HD2 ASN 24 2HD2 ASN 24 -9.433 1.083 -9.265 165 H ILE 25 H ILE 25 -6.158 0.731 -4.446 166 HA ILE 25 HA ILE 25 -8.471 -0.660 -3.495 167 HB ILE 25 HB ILE 25 -5.611 -0.344 -2.656 168 1HG1 ILE 25 1HG1 ILE 25 -7.305 -2.827 -2.931 169 2HG1 ILE 25 2HG1 ILE 25 -6.759 -1.993 -4.355 170 1HG2 ILE 25 1HG2 ILE 25 -7.682 -1.555 -0.781 171 2HG2 ILE 25 2HG2 ILE 25 -5.947 -1.796 -0.640 172 3HG2 ILE 25 3HG2 ILE 25 -6.591 -0.170 -0.465 173 1HD1 ILE 25 1HD1 ILE 25 -4.376 -2.257 -3.627 174 2HD1 ILE 25 2HD1 ILE 25 -4.915 -3.221 -2.249 175 3HD1 ILE 25 3HD1 ILE 25 -5.212 -3.803 -3.888 176 H GLY 26 H GLY 26 -6.827 2.232 -2.126 177 1HA GLY 26 2HA GLY 26 -7.643 3.926 -0.789 178 2HA GLY 26 1HA GLY 26 -8.583 2.682 0.047 179 H ASN 27 H ASN 27 -8.792 3.971 -3.306 180 HA ASN 27 HA ASN 27 -11.226 5.388 -2.994 181 1HB ASN 27 1HB ASN 27 -9.620 5.686 -4.841 182 2HB ASN 27 2HB ASN 27 -10.008 4.065 -5.460 183 1HD2 ASN 27 1HD2 ASN 27 -11.537 3.989 -7.044 184 2HD2 ASN 27 2HD2 ASN 27 -12.735 5.237 -7.328 185 H ASN 28 H ASN 28 -10.648 1.943 -3.865 186 HA ASN 28 HA ASN 28 -13.477 1.422 -4.196 187 1HB ASN 28 1HB ASN 28 -11.642 0.106 -5.311 188 2HB ASN 28 2HB ASN 28 -11.154 -0.531 -3.748 189 1HD2 ASN 28 1HD2 ASN 28 -12.396 -2.347 -2.904 190 2HD2 ASN 28 2HD2 ASN 28 -13.746 -2.995 -3.819 191 H ALA 29 H ALA 29 -11.334 1.046 -1.337 192 HA ALA 29 HA ALA 29 -13.371 -0.004 0.449 193 1HB ALA 29 2HB ALA 29 -11.016 1.870 0.910 194 2HB ALA 29 1HB ALA 29 -10.984 0.088 0.993 195 3HB ALA 29 3HB ALA 29 -11.909 1.033 2.183 196 H ALA 30 H ALA 30 -12.623 3.353 -0.584 197 HA ALA 30 HA ALA 30 -14.709 4.563 0.992 198 1HB ALA 30 2HB ALA 30 -12.733 5.815 0.183 199 2HB ALA 30 3HB ALA 30 -13.303 5.618 -1.498 200 3HB ALA 30 1HB ALA 30 -14.246 6.559 -0.335 201 H ALA 31 H ALA 31 -14.780 3.130 -2.272 202 HA ALA 31 HA ALA 31 -17.443 4.261 -2.773 203 1HB ALA 31 3HB ALA 31 -15.628 2.584 -4.525 204 2HB ALA 31 2HB ALA 31 -15.720 4.369 -4.473 205 3HB ALA 31 1HB ALA 31 -17.101 3.388 -5.053 206 H ASN 32 H ASN 32 -16.054 1.091 -2.171 207 HA ASN 32 HA ASN 32 -18.687 -0.308 -2.364 208 1HB ASN 32 1HB ASN 32 -17.202 -0.500 -4.380 209 2HB ASN 32 2HB ASN 32 -15.943 -1.202 -3.381 210 1HD2 ASN 32 1HD2 ASN 32 -19.485 -1.758 -4.178 211 2HD2 ASN 32 2HD2 ASN 32 -19.244 -3.495 -4.226 212 H TRP 33 H TRP 33 -16.101 0.398 -0.307 213 HA TRP 33 HA TRP 33 -15.613 -0.158 1.790 214 1HB TRP 33 1HB TRP 33 -18.268 -0.452 1.715 215 2HB TRP 33 2HB TRP 33 -17.812 -2.088 2.195 216 HD1 TRP 33 HD1 TRP 33 -17.022 -2.363 4.644 217 HE1 TRP 33 HE1 TRP 33 -16.961 -0.811 6.716 218 HE3 TRP 33 HE3 TRP 33 -17.393 2.128 2.282 219 HZ2 TRP 33 HZ2 TRP 33 -17.043 2.036 7.252 220 HZ3 TRP 33 HZ3 TRP 33 -17.252 4.258 3.578 221 HH2 TRP 33 HH2 TRP 33 -17.071 4.210 6.050 222 H ALA 34 H ALA 34 -16.601 -3.210 0.275 223 HA ALA 34 HA ALA 34 -15.756 -5.337 0.457 224 1HB ALA 34 3HB ALA 34 -14.462 -4.223 -1.315 225 2HB ALA 34 1HB ALA 34 -13.211 -3.763 -0.146 226 3HB ALA 34 2HB ALA 34 -13.492 -5.465 -0.534 227 H THR 35 H THR 35 -16.204 -4.526 2.931 228 HA THR 35 HA THR 35 -15.988 -4.802 5.111 229 HB THR 35 HB THR 35 -14.870 -6.653 6.055 230 HG1 THR 35 HG1 THR 35 -13.486 -6.730 3.614 231 1HG2 THR 35 3HG2 THR 35 -16.903 -7.168 4.755 232 2HG2 THR 35 2HG2 THR 35 -15.900 -7.505 3.327 233 3HG2 THR 35 1HG2 THR 35 -15.735 -8.515 4.761 234 H GLY 36 H GLY 36 -13.583 -3.254 3.544 235 1HA GLY 36 2HA GLY 36 -11.488 -2.306 4.183 236 2HA GLY 36 1HA GLY 36 -11.726 -2.859 5.819 237 H GLY 37 H GLY 37 -12.992 -0.618 3.407 238 1HA GLY 37 2HA GLY 37 -14.599 1.021 5.134 239 2HA GLY 37 1HA GLY 37 -14.153 1.411 3.488 240 H ASN 38 H ASN 38 -11.333 1.002 5.194 241 HA ASN 38 HA ASN 38 -11.200 3.789 6.302 242 1HB ASN 38 1HB ASN 38 -11.306 1.971 7.959 243 2HB ASN 38 2HB ASN 38 -9.833 1.274 7.269 244 1HD2 ASN 38 1HD2 ASN 38 -8.493 1.509 9.099 245 2HD2 ASN 38 2HD2 ASN 38 -8.095 3.113 9.710 246 H ALA 39 H ALA 39 -10.621 4.106 3.885 247 HA ALA 39 HA ALA 39 -9.152 4.507 2.187 248 1HB ALA 39 1HB ALA 39 -7.193 5.011 4.443 249 2HB ALA 39 2HB ALA 39 -7.117 5.664 2.789 250 3HB ALA 39 3HB ALA 39 -8.430 6.152 3.875 251 H GLY 40 H GLY 40 -9.336 1.719 3.117 252 1HA GLY 40 2HA GLY 40 -6.797 0.397 2.590 253 2HA GLY 40 1HA GLY 40 -7.948 0.354 1.234 254 H TRP 41 H TRP 41 -7.093 -1.935 2.263 255 HA TRP 41 HA TRP 41 -9.247 -3.005 4.004 256 1HB TRP 41 1HB TRP 41 -9.430 -5.017 2.606 257 2HB TRP 41 2HB TRP 41 -10.084 -3.533 1.931 258 HD1 TRP 41 HD1 TRP 41 -6.386 -3.755 1.364 259 HE1 TRP 41 HE1 TRP 41 -5.840 -4.513 -0.901 260 HE3 TRP 41 HE3 TRP 41 -11.138 -4.745 -0.188 261 HZ2 TRP 41 HZ2 TRP 41 -7.308 -5.412 -3.312 262 HZ3 TRP 41 HZ3 TRP 41 -11.559 -5.286 -2.586 263 HH2 TRP 41 HH2 TRP 41 -9.662 -5.686 -4.141 264 H ASN 42 H ASN 42 -6.849 -5.124 2.618 265 HA ASN 42 HA ASN 42 -5.103 -5.093 5.001 266 1HB ASN 42 1HB ASN 42 -3.474 -6.270 3.598 267 2HB ASN 42 2HB ASN 42 -5.042 -7.059 3.521 268 1HD2 ASN 42 1HD2 ASN 42 -2.857 -4.808 1.658 269 2HD2 ASN 42 2HD2 ASN 42 -3.506 -5.281 0.110 270 H LYS 43 H LYS 43 -2.963 -4.121 4.923 271 HA LYS 43 HA LYS 43 -2.162 -2.046 3.098 272 1HB LYS 43 1HB LYS 43 -2.375 -0.282 5.050 273 2HB LYS 43 2HB LYS 43 -3.662 -0.481 3.877 274 1HG LYS 43 1HG LYS 43 -5.051 -1.707 5.427 275 2HG LYS 43 2HG LYS 43 -3.721 -1.976 6.521 276 1HD LYS 43 1HD LYS 43 -5.008 -0.281 7.532 277 2HD LYS 43 2HD LYS 43 -3.608 0.562 6.867 278 1HE LYS 43 1HE LYS 43 -4.988 1.186 4.861 279 2HE LYS 43 2HE LYS 43 -6.386 0.383 5.572 280 1HZ LYS 43 1HZ LYS 43 -6.158 1.924 7.487 281 2HZ LYS 43 3HZ LYS 43 -4.996 2.768 6.688 282 3HZ LYS 43 2HZ LYS 43 -6.530 2.657 6.107 No H/Q in entry = 282
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