NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5736 | 1hum | cing | 1-original | 23 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -10.118 18.361 -11.844 2 2H ALA 1 HT3 ALA 1 -8.753 18.827 -12.736 3 3H ALA 1 HT2 ALA 1 -9.984 17.924 -13.481 4 HA ALA 1 HA ALA 1 -9.141 15.995 -12.796 5 1HB ALA 1 HB1 ALA 1 -7.094 17.418 -13.403 6 2HB ALA 1 HB3 ALA 1 -6.837 17.591 -11.667 7 3HB ALA 1 HB2 ALA 1 -6.793 15.992 -12.411 8 HA PRO 2 HA PRO 2 -10.441 16.756 -8.368 9 1HB PRO 2 HB2 PRO 2 -12.263 14.507 -8.673 10 2HB PRO 2 HB1 PRO 2 -12.665 16.205 -8.385 11 1HG PRO 2 HG2 PRO 2 -13.031 14.742 -10.828 12 2HG PRO 2 HG1 PRO 2 -13.312 16.468 -10.568 13 1HD PRO 2 HD2 PRO 2 -11.136 15.199 -12.034 14 2HD PRO 2 HD1 PRO 2 -11.495 16.931 -11.892 15 H MET 3 HN MET 3 -9.473 15.603 -6.701 16 HA MET 3 HA MET 3 -7.773 13.343 -7.431 17 1HB MET 3 HB2 MET 3 -8.254 14.231 -4.590 18 2HB MET 3 HB1 MET 3 -6.770 13.628 -5.331 19 1HG MET 3 HG2 MET 3 -6.701 15.722 -6.726 20 2HG MET 3 HG1 MET 3 -8.067 16.326 -5.789 21 1HE MET 3 HE3 MET 3 -6.678 18.322 -5.474 22 2HE MET 3 HE2 MET 3 -7.487 18.086 -3.927 23 3HE MET 3 HE1 MET 3 -5.791 18.559 -3.962 24 H GLY 4 HN GLY 4 -7.904 11.226 -6.397 25 1HA GLY 4 HA2 GLY 4 -10.465 10.046 -6.404 26 2HA GLY 4 HA1 GLY 4 -9.064 9.345 -5.588 27 H SER 5 HN SER 5 -11.184 8.815 -4.166 28 HA SER 5 HA SER 5 -11.871 11.042 -2.362 29 1HB SER 5 HB2 SER 5 -13.134 8.633 -3.164 30 2HB SER 5 HB1 SER 5 -12.864 8.491 -1.431 31 HG SER 5 HG SER 5 -14.416 10.296 -2.883 32 H ASP 6 HN ASP 6 -10.779 7.692 -1.671 33 HA ASP 6 HA ASP 6 -8.569 8.679 -0.035 34 1HB ASP 6 HB2 ASP 6 -11.177 8.168 1.173 35 2HB ASP 6 HB1 ASP 6 -9.972 7.095 1.872 36 HA PRO 7 HA PRO 7 -8.256 4.465 -1.972 37 1HB PRO 7 HB2 PRO 7 -5.593 5.205 -2.882 38 2HB PRO 7 HB1 PRO 7 -7.024 4.878 -3.865 39 1HG PRO 7 HG2 PRO 7 -5.804 7.432 -3.407 40 2HG PRO 7 HG1 PRO 7 -7.309 7.113 -4.280 41 1HD PRO 7 HD2 PRO 7 -6.968 8.274 -1.619 42 2HD PRO 7 HD1 PRO 7 -8.459 8.131 -2.574 43 HA PRO 8 HA PRO 8 -5.769 2.785 1.285 44 1HB PRO 8 HB2 PRO 8 -4.128 0.977 -0.219 45 2HB PRO 8 HB1 PRO 8 -5.660 0.604 0.583 46 1HG PRO 8 HG2 PRO 8 -5.136 0.935 -2.288 47 2HG PRO 8 HG1 PRO 8 -6.584 0.297 -1.496 48 1HD PRO 8 HD2 PRO 8 -6.334 2.845 -2.758 49 2HD PRO 8 HD1 PRO 8 -7.686 2.286 -1.750 50 H THR 9 HN THR 9 -3.047 1.887 1.167 51 HA THR 9 HA THR 9 -1.447 4.038 -0.048 52 HB THR 9 HB THR 9 -1.347 3.682 2.953 53 HG1 THR 9 HG1 THR 9 -2.971 5.262 1.332 54 1HG2 THR 9 HG21 THR 9 -0.242 5.736 1.016 55 2HG2 THR 9 HG23 THR 9 -0.195 5.914 2.769 56 3HG2 THR 9 HG22 THR 9 0.680 4.595 1.996 57 H ALA 10 HN ALA 10 0.407 3.131 -0.714 58 HA ALA 10 HA ALA 10 1.082 0.405 -0.065 59 1HB ALA 10 HB2 ALA 10 2.519 2.625 -1.527 60 2HB ALA 10 HB1 ALA 10 3.254 1.038 -1.288 61 3HB ALA 10 HB3 ALA 10 1.756 1.187 -2.207 62 H CYS 11 HN CYS 11 1.202 0.554 2.299 63 HA CYS 11 HA CYS 11 3.693 1.882 3.325 64 1HB CYS 11 HB2 CYS 11 1.317 0.844 4.904 65 2HB CYS 11 HB1 CYS 11 2.660 1.808 5.520 66 H CYS 12 HN CYS 12 5.275 0.578 4.223 67 HA CYS 12 HA CYS 12 5.151 -2.265 3.674 68 1HB CYS 12 HB2 CYS 12 7.152 -0.635 5.269 69 2HB CYS 12 HB1 CYS 12 7.366 -2.324 4.821 70 H PHE 13 HN PHE 13 4.851 -3.956 5.120 71 HA PHE 13 HA PHE 13 3.722 -3.217 7.788 72 1HB PHE 13 HB2 PHE 13 2.686 -5.417 7.760 73 2HB PHE 13 HB1 PHE 13 2.351 -4.631 6.218 74 HD1 PHE 13 HD2 PHE 13 3.851 -5.164 4.216 75 HD2 PHE 13 HD1 PHE 13 3.875 -7.476 7.852 76 HE1 PHE 13 HE2 PHE 13 4.958 -7.039 3.016 77 HE2 PHE 13 HE1 PHE 13 4.984 -9.352 6.653 78 HZ PHE 13 HZ PHE 13 5.527 -9.134 4.234 79 H SER 14 HN SER 14 6.409 -4.659 6.220 80 HA SER 14 HA SER 14 7.743 -5.116 8.794 81 1HB SER 14 HB2 SER 14 8.316 -7.468 8.270 82 2HB SER 14 HB1 SER 14 6.575 -7.261 8.447 83 HG SER 14 HG SER 14 7.894 -8.214 6.375 84 OH TYR 15 OH TYR 15 8.846 -0.870 9.748 85 H TYR 15 HN TYR 15 9.821 -6.765 7.529 86 HA TYR 15 HA TYR 15 10.782 -5.177 5.238 87 1HB TYR 15 HB2 TYR 15 12.567 -5.302 7.672 88 2HB TYR 15 HB1 TYR 15 12.666 -4.222 6.281 89 HD1 TYR 15 HD1 TYR 15 10.925 -4.933 9.454 90 HD2 TYR 15 HD2 TYR 15 11.225 -2.252 6.094 91 HE1 TYR 15 HE1 TYR 15 9.549 -3.256 10.672 92 HE2 TYR 15 HE2 TYR 15 9.850 -0.574 7.314 93 HH TYR 15 HH TYR 15 9.421 -0.140 9.994 94 H THR 16 HN THR 16 12.854 -6.124 4.381 95 HA THR 16 HA THR 16 12.723 -8.981 4.319 96 HB THR 16 HB THR 16 13.766 -7.733 2.494 97 HG1 THR 16 HG1 THR 16 15.358 -9.139 2.185 98 1HG2 THR 16 HG23 THR 16 14.722 -5.943 3.996 99 2HG2 THR 16 HG22 THR 16 16.013 -7.073 4.406 100 3HG2 THR 16 HG21 THR 16 15.820 -6.519 2.743 101 H ALA 17 HN ALA 17 15.539 -9.670 4.754 102 HA ALA 17 HA ALA 17 15.936 -9.097 7.649 103 1HB ALA 17 HB3 ALA 17 15.441 -11.821 6.436 104 2HB ALA 17 HB2 ALA 17 16.299 -11.626 7.965 105 3HB ALA 17 HB1 ALA 17 14.631 -11.075 7.813 106 NH1 ARG 18 NH2 ARG 18 18.372 -15.646 2.953 107 NH2 ARG 18 NH1 ARG 18 20.277 -15.557 1.742 108 H ARG 18 HN ARG 18 17.224 -9.245 4.636 109 HA ARG 18 HA ARG 18 19.982 -9.646 5.716 110 1HB ARG 18 HB2 ARG 18 18.767 -10.910 3.254 111 2HB ARG 18 HB1 ARG 18 20.505 -10.767 3.479 112 1HG ARG 18 HG2 ARG 18 20.583 -12.404 5.100 113 2HG ARG 18 HG1 ARG 18 19.054 -11.914 5.818 114 1HD ARG 18 HD2 ARG 18 18.625 -14.050 4.920 115 2HD ARG 18 HD1 ARG 18 17.938 -12.950 3.733 116 HE ARG 18 HE ARG 18 20.566 -13.394 2.883 117 1HH1 ARG 18 HH21 ARG 18 17.751 -15.235 3.619 118 2HH1 ARG 18 HH22 ARG 18 18.153 -16.531 2.543 119 1HH2 ARG 18 HH11 ARG 18 21.115 -15.079 1.480 120 2HH2 ARG 18 HH12 ARG 18 20.059 -16.443 1.333 121 H LYS 19 HN LYS 19 21.417 -8.117 4.947 122 HA LYS 19 HA LYS 19 20.403 -5.801 3.597 123 1HB LYS 19 HB2 LYS 19 22.353 -5.702 5.088 124 2HB LYS 19 HB1 LYS 19 23.269 -6.716 3.989 125 1HG LYS 19 HG2 LYS 19 22.663 -4.815 2.219 126 2HG LYS 19 HG1 LYS 19 22.441 -3.855 3.657 127 1HD LYS 19 HD2 LYS 19 24.952 -5.186 2.678 128 2HD LYS 19 HD1 LYS 19 24.681 -3.482 3.020 129 1HE LYS 19 HE2 LYS 19 25.840 -4.064 4.935 130 2HE LYS 19 HE1 LYS 19 24.213 -4.445 5.486 131 1HZ LYS 19 HZ3 LYS 19 25.341 -6.610 4.024 132 2HZ LYS 19 HZ2 LYS 19 26.351 -6.170 5.319 133 3HZ LYS 19 HZ1 LYS 19 24.730 -6.593 5.606 134 H LEU 20 HN LEU 20 20.203 -5.384 1.464 135 HA LEU 20 HA LEU 20 20.753 -7.459 -0.481 136 1HB LEU 20 HB2 LEU 20 20.123 -4.579 -1.136 137 2HB LEU 20 HB1 LEU 20 19.724 -6.021 -2.060 138 HG LEU 20 HG LEU 20 18.557 -5.308 0.648 139 1HD1 LEU 20 HD13 LEU 20 17.862 -3.829 -1.243 140 2HD1 LEU 20 HD12 LEU 20 17.304 -5.259 -2.112 141 3HD1 LEU 20 HD11 LEU 20 16.530 -4.789 -0.599 142 1HD2 LEU 20 HD22 LEU 20 17.962 -7.540 -1.326 143 2HD2 LEU 20 HD21 LEU 20 18.594 -7.726 0.311 144 3HD2 LEU 20 HD23 LEU 20 16.947 -7.149 0.062 145 HA PRO 21 HA PRO 21 25.039 -6.034 -0.904 146 1HB PRO 21 HB2 PRO 21 25.172 -7.332 -3.531 147 2HB PRO 21 HB1 PRO 21 26.028 -7.757 -2.048 148 1HG PRO 21 HG2 PRO 21 23.848 -9.182 -3.215 149 2HG PRO 21 HG1 PRO 21 24.573 -9.484 -1.630 150 1HD PRO 21 HD2 PRO 21 21.972 -8.314 -2.220 151 2HD PRO 21 HD1 PRO 21 22.662 -8.722 -0.632 152 NH1 ARG 22 NH2 ARG 22 26.667 1.038 -6.357 153 NH2 ARG 22 NH1 ARG 22 26.200 3.100 -5.562 154 H ARG 22 HN ARG 22 25.903 -4.234 -2.012 155 HA ARG 22 HA ARG 22 24.208 -2.415 -3.316 156 1HB ARG 22 HB2 ARG 22 26.604 -2.049 -2.459 157 2HB ARG 22 HB1 ARG 22 27.143 -2.710 -4.001 158 1HG ARG 22 HG2 ARG 22 26.047 -0.957 -5.228 159 2HG ARG 22 HG1 ARG 22 25.229 -0.369 -3.782 160 1HD ARG 22 HD2 ARG 22 27.546 0.035 -2.794 161 2HD ARG 22 HD1 ARG 22 28.198 -0.258 -4.401 162 HE ARG 22 HE ARG 22 27.011 2.178 -3.443 163 1HH1 ARG 22 HH21 ARG 22 27.017 0.113 -6.216 164 2HH1 ARG 22 HH22 ARG 22 26.367 1.323 -7.268 165 1HH2 ARG 22 HH11 ARG 22 26.189 3.756 -4.807 166 2HH2 ARG 22 HH12 ARG 22 25.906 3.383 -6.475 167 H ASN 23 HN ASN 23 25.900 -5.200 -4.534 168 HA ASN 23 HA ASN 23 25.534 -4.621 -7.348 169 1HB ASN 23 HB2 ASN 23 27.123 -6.340 -5.990 170 2HB ASN 23 HB1 ASN 23 25.818 -7.451 -6.384 171 1HD2 ASN 23 HD22 ASN 23 27.921 -7.871 -9.290 172 2HD2 ASN 23 HD21 ASN 23 27.691 -8.452 -7.711 173 H PHE 24 HN PHE 24 23.206 -4.853 -5.228 174 HA PHE 24 HA PHE 24 21.349 -6.293 -7.074 175 1HB PHE 24 HB2 PHE 24 22.187 -7.674 -4.992 176 2HB PHE 24 HB1 PHE 24 21.116 -6.624 -4.074 177 HD1 PHE 24 HD1 PHE 24 20.975 -8.526 -7.348 178 HD2 PHE 24 HD2 PHE 24 19.004 -7.530 -3.642 179 HE1 PHE 24 HE1 PHE 24 19.048 -9.956 -7.979 180 HE2 PHE 24 HE2 PHE 24 17.082 -8.963 -4.279 181 HZ PHE 24 HZ PHE 24 17.100 -10.174 -6.443 182 H VAL 25 HN VAL 25 21.931 -3.434 -6.421 183 HA VAL 25 HA VAL 25 19.138 -2.628 -5.828 184 HB VAL 25 HB VAL 25 21.516 -1.454 -4.354 185 1HG1 VAL 25 HG13 VAL 25 18.953 -0.364 -4.871 186 2HG1 VAL 25 HG12 VAL 25 18.855 -0.970 -3.224 187 3HG1 VAL 25 HG11 VAL 25 20.100 0.191 -3.655 188 1HG2 VAL 25 HG23 VAL 25 19.410 -3.458 -3.493 189 2HG2 VAL 25 HG22 VAL 25 21.161 -3.667 -3.486 190 3HG2 VAL 25 HG21 VAL 25 20.402 -2.556 -2.349 191 H VAL 26 HN VAL 26 18.985 -1.857 -7.973 192 HA VAL 26 HA VAL 26 21.008 0.048 -8.971 193 HB VAL 26 HB VAL 26 19.601 0.037 -11.020 194 1HG1 VAL 26 HG13 VAL 26 20.476 -2.572 -9.791 195 2HG1 VAL 26 HG12 VAL 26 19.843 -2.500 -11.435 196 3HG1 VAL 26 HG11 VAL 26 21.302 -1.605 -11.010 197 1HG2 VAL 26 HG22 VAL 26 17.894 -1.871 -9.392 198 2HG2 VAL 26 HG21 VAL 26 17.411 -0.275 -9.965 199 3HG2 VAL 26 HG23 VAL 26 17.705 -1.575 -11.120 200 H ASP 27 HN ASP 27 18.097 0.162 -7.189 201 HA ASP 27 HA ASP 27 18.124 3.059 -7.167 202 1HB ASP 27 HB2 ASP 27 17.026 2.467 -9.407 203 2HB ASP 27 HB1 ASP 27 15.687 1.813 -8.462 204 OH TYR 28 OH TYR 28 16.322 8.723 -2.731 205 H TYR 28 HN TYR 28 15.686 3.680 -6.226 206 HA TYR 28 HA TYR 28 14.714 1.625 -4.386 207 1HB TYR 28 HB2 TYR 28 15.311 2.662 -2.340 208 2HB TYR 28 HB1 TYR 28 16.784 2.619 -3.294 209 HD1 TYR 28 HD2 TYR 28 17.019 4.791 -4.952 210 HD2 TYR 28 HD1 TYR 28 14.867 4.662 -1.220 211 HE1 TYR 28 HE2 TYR 28 17.256 7.250 -4.733 212 HE2 TYR 28 HE1 TYR 28 15.098 7.124 -0.996 213 HH TYR 28 HH TYR 28 16.115 9.117 -3.582 214 OH TYR 29 OH TYR 29 5.323 5.017 -2.886 215 H TYR 29 HN TYR 29 13.197 2.912 -2.729 216 HA TYR 29 HA TYR 29 11.809 5.190 -3.905 217 1HB TYR 29 HB2 TYR 29 10.782 3.604 -5.328 218 2HB TYR 29 HB1 TYR 29 10.748 2.367 -4.076 219 HD1 TYR 29 HD1 TYR 29 9.432 5.822 -4.736 220 HD2 TYR 29 HD2 TYR 29 8.711 1.945 -3.002 221 HE1 TYR 29 HE1 TYR 29 7.120 6.525 -4.131 222 HE2 TYR 29 HE2 TYR 29 6.400 2.643 -2.394 223 HH TYR 29 HH TYR 29 4.712 4.378 -3.262 224 H GLU 30 HN GLU 30 10.545 6.200 -2.276 225 HA GLU 30 HA GLU 30 10.782 4.972 0.438 226 1HB GLU 30 HB2 GLU 30 10.262 7.778 -0.546 227 2HB GLU 30 HB1 GLU 30 9.990 7.323 1.134 228 1HG GLU 30 HG2 GLU 30 12.282 6.765 1.459 229 2HG GLU 30 HG1 GLU 30 12.609 6.778 -0.274 230 H THR 31 HN THR 31 8.893 4.898 1.818 231 HA THR 31 HA THR 31 6.488 4.082 0.424 232 HB THR 31 HB THR 31 5.548 3.975 2.796 233 HG1 THR 31 HG1 THR 31 7.427 5.626 3.258 234 1HG2 THR 31 HG23 THR 31 6.823 2.110 1.584 235 2HG2 THR 31 HG22 THR 31 8.233 2.612 2.516 236 3HG2 THR 31 HG21 THR 31 6.796 2.018 3.343 237 H SER 32 HN SER 32 4.400 5.089 1.877 238 HA SER 32 HA SER 32 4.181 7.803 0.783 239 1HB SER 32 HB2 SER 32 2.381 5.833 0.948 240 2HB SER 32 HB1 SER 32 2.026 6.610 2.487 241 HG SER 32 HG SER 32 1.887 7.646 -0.135 242 H SER 33 HN SER 33 2.276 8.548 2.963 243 HA SER 33 HA SER 33 4.134 9.005 5.257 244 1HB SER 33 HB2 SER 33 3.890 11.344 5.197 245 2HB SER 33 HB1 SER 33 4.061 10.928 3.495 246 HG SER 33 HG SER 33 2.284 12.217 3.633 247 H LEU 34 HN LEU 34 0.902 9.104 3.894 248 HA LEU 34 HA LEU 34 -0.755 9.821 5.955 249 1HB LEU 34 HB2 LEU 34 -1.257 7.248 4.456 250 2HB LEU 34 HB1 LEU 34 -2.433 8.424 5.033 251 HG LEU 34 HG LEU 34 -0.437 8.819 2.793 252 1HD1 LEU 34 HD13 LEU 34 -2.620 7.463 2.465 253 2HD1 LEU 34 HD12 LEU 34 -3.442 9.013 2.655 254 3HD1 LEU 34 HD11 LEU 34 -2.292 8.782 1.340 255 1HD2 LEU 34 HD23 LEU 34 -2.263 10.734 4.253 256 2HD2 LEU 34 HD22 LEU 34 -0.568 10.946 3.816 257 3HD2 LEU 34 HD21 LEU 34 -1.815 11.023 2.572 258 H CYS 35 HN CYS 35 0.468 6.483 5.552 259 HA CYS 35 HA CYS 35 -0.479 5.663 8.155 260 1HB CYS 35 HB2 CYS 35 1.206 3.720 7.704 261 2HB CYS 35 HB1 CYS 35 -0.200 3.878 6.656 262 H SER 36 HN SER 36 0.479 5.957 10.100 263 HA SER 36 HA SER 36 2.783 7.628 10.378 264 1HB SER 36 HB2 SER 36 2.220 6.037 12.772 265 2HB SER 36 HB1 SER 36 2.031 7.770 12.519 266 HG SER 36 HG SER 36 0.109 6.179 12.833 267 H GLN 37 HN GLN 37 3.378 5.114 8.812 268 HA GLN 37 HA GLN 37 5.824 4.419 10.322 269 1HB GLN 37 HB2 GLN 37 5.325 1.934 9.977 270 2HB GLN 37 HB1 GLN 37 4.408 2.746 11.245 271 1HG GLN 37 HG2 GLN 37 2.512 3.040 9.687 272 2HG GLN 37 HG1 GLN 37 3.428 2.221 8.422 273 1HE2 GLN 37 HE22 GLN 37 2.334 -0.930 9.517 274 2HE2 GLN 37 HE21 GLN 37 2.819 0.067 8.232 275 HA PRO 38 HA PRO 38 6.208 4.445 5.657 276 1HB PRO 38 HB2 PRO 38 8.281 6.395 5.753 277 2HB PRO 38 HB1 PRO 38 6.604 6.676 5.266 278 1HG PRO 38 HG2 PRO 38 7.943 7.531 7.728 279 2HG PRO 38 HG1 PRO 38 6.343 7.991 7.126 280 1HD PRO 38 HD2 PRO 38 6.943 6.169 9.283 281 2HD PRO 38 HD1 PRO 38 5.345 6.585 8.635 282 H ALA 39 HN ALA 39 8.539 4.245 4.571 283 HA ALA 39 HA ALA 39 10.719 3.313 6.194 284 1HB ALA 39 HB3 ALA 39 9.039 1.406 6.373 285 2HB ALA 39 HB2 ALA 39 9.242 1.176 4.637 286 3HB ALA 39 HB1 ALA 39 10.615 0.957 5.721 287 H VAL 40 HN VAL 40 12.443 2.326 4.659 288 HA VAL 40 HA VAL 40 12.267 3.784 2.052 289 HB VAL 40 HB VAL 40 14.566 2.549 3.602 290 1HG1 VAL 40 HG12 VAL 40 14.432 3.444 0.716 291 2HG1 VAL 40 HG11 VAL 40 15.951 3.432 1.613 292 3HG1 VAL 40 HG13 VAL 40 15.064 1.928 1.354 293 1HG2 VAL 40 HG23 VAL 40 13.675 4.900 4.059 294 2HG2 VAL 40 HG22 VAL 40 15.390 4.797 3.657 295 3HG2 VAL 40 HG21 VAL 40 14.228 5.323 2.439 296 H VAL 41 HN VAL 41 12.327 2.657 0.121 297 HA VAL 41 HA VAL 41 12.122 -0.327 0.312 298 HB VAL 41 HB VAL 41 10.800 1.316 -1.837 299 1HG1 VAL 41 HG11 VAL 41 10.214 -1.362 -0.554 300 2HG1 VAL 41 HG13 VAL 41 9.256 -0.608 -1.828 301 3HG1 VAL 41 HG12 VAL 41 10.922 -1.099 -2.149 302 1HG2 VAL 41 HG23 VAL 41 9.754 0.687 0.940 303 2HG2 VAL 41 HG22 VAL 41 9.996 2.287 0.243 304 3HG2 VAL 41 HG21 VAL 41 8.738 1.229 -0.395 305 H PHE 42 HN PHE 42 13.808 -1.319 -0.675 306 HA PHE 42 HA PHE 42 15.416 0.195 -2.646 307 1HB PHE 42 HB2 PHE 42 15.812 -2.421 -1.191 308 2HB PHE 42 HB1 PHE 42 16.885 -1.902 -2.482 309 HD1 PHE 42 HD2 PHE 42 17.628 0.724 -2.235 310 HD2 PHE 42 HD1 PHE 42 16.482 -1.899 0.989 311 HE1 PHE 42 HE2 PHE 42 18.877 2.151 -0.631 312 HE2 PHE 42 HE1 PHE 42 17.735 -0.472 2.589 313 HZ PHE 42 HZ PHE 42 18.934 1.554 1.781 314 H GLN 43 HN GLN 43 15.556 -0.303 -4.784 315 HA GLN 43 HA GLN 43 13.730 -2.420 -5.852 316 1HB GLN 43 HB2 GLN 43 15.067 -0.026 -7.166 317 2HB GLN 43 HB1 GLN 43 14.047 -1.182 -8.014 318 1HG GLN 43 HG2 GLN 43 12.116 -0.563 -6.768 319 2HG GLN 43 HG1 GLN 43 13.078 0.319 -5.581 320 1HE2 GLN 43 HE22 GLN 43 12.821 2.069 -9.302 321 2HE2 GLN 43 HE21 GLN 43 13.035 0.388 -9.195 322 H THR 44 HN THR 44 14.761 -4.334 -6.453 323 HA THR 44 HA THR 44 17.735 -4.242 -6.746 324 HB THR 44 HB THR 44 17.753 -6.517 -6.235 325 HG1 THR 44 HG1 THR 44 16.052 -6.878 -7.887 326 1HG2 THR 44 HG22 THR 44 16.744 -4.965 -4.430 327 2HG2 THR 44 HG21 THR 44 15.199 -5.704 -4.852 328 3HG2 THR 44 HG23 THR 44 16.512 -6.700 -4.228 329 H LYS 45 HN LYS 45 18.026 -6.625 -8.200 330 HA LYS 45 HA LYS 45 17.307 -5.708 -10.959 331 1HB LYS 45 HB2 LYS 45 19.498 -7.661 -10.216 332 2HB LYS 45 HB1 LYS 45 19.311 -6.756 -11.715 333 1HG LYS 45 HG2 LYS 45 19.719 -4.654 -10.507 334 2HG LYS 45 HG1 LYS 45 19.899 -5.550 -8.998 335 1HD LYS 45 HD2 LYS 45 21.878 -6.639 -9.757 336 2HD LYS 45 HD1 LYS 45 21.599 -6.147 -11.427 337 1HE LYS 45 HE2 LYS 45 22.082 -3.855 -10.921 338 2HE LYS 45 HE1 LYS 45 22.073 -4.171 -9.186 339 1HZ LYS 45 HZ3 LYS 45 23.919 -5.754 -10.784 340 2HZ LYS 45 HZ2 LYS 45 24.288 -4.102 -10.634 341 3HZ LYS 45 HZ1 LYS 45 24.127 -5.070 -9.246 342 NH1 ARG 46 NH2 ARG 46 15.127 -14.354 -11.688 343 NH2 ARG 46 NH1 ARG 46 15.799 -16.371 -10.921 344 H ARG 46 HN ARG 46 17.056 -8.350 -8.673 345 HA ARG 46 HA ARG 46 15.573 -9.945 -10.737 346 1HB ARG 46 HB2 ARG 46 17.934 -10.803 -10.019 347 2HB ARG 46 HB1 ARG 46 17.160 -11.227 -8.504 348 1HG ARG 46 HG2 ARG 46 15.930 -12.139 -11.106 349 2HG ARG 46 HG1 ARG 46 17.309 -13.007 -10.454 350 1HD ARG 46 HD2 ARG 46 15.836 -12.978 -8.222 351 2HD ARG 46 HD1 ARG 46 14.516 -12.813 -9.377 352 HE ARG 46 HE ARG 46 15.894 -15.216 -8.758 353 1HH1 ARG 46 HH21 ARG 46 14.885 -13.402 -11.521 354 2HH1 ARG 46 HH22 ARG 46 15.045 -14.735 -12.610 355 1HH2 ARG 46 HH11 ARG 46 16.079 -16.962 -10.162 356 2HH2 ARG 46 HH12 ARG 46 15.711 -16.750 -11.842 357 H SER 47 HN SER 47 14.183 -8.218 -9.251 358 HA SER 47 HA SER 47 12.398 -9.924 -7.784 359 1HB SER 47 HB2 SER 47 12.649 -9.067 -5.572 360 2HB SER 47 HB1 SER 47 14.275 -9.483 -6.100 361 HG SER 47 HG SER 47 14.116 -7.386 -5.141 362 H LYS 48 HN LYS 48 12.194 -7.019 -6.308 363 HA LYS 48 HA LYS 48 11.020 -5.461 -8.484 364 1HB LYS 48 HB2 LYS 48 9.338 -6.920 -6.444 365 2HB LYS 48 HB1 LYS 48 8.805 -5.342 -7.014 366 1HG LYS 48 HG2 LYS 48 9.057 -6.267 -9.389 367 2HG LYS 48 HG1 LYS 48 9.221 -7.859 -8.639 368 1HD LYS 48 HD2 LYS 48 7.055 -7.430 -7.428 369 2HD LYS 48 HD1 LYS 48 6.873 -5.962 -8.383 370 1HE LYS 48 HE2 LYS 48 7.439 -8.299 -10.079 371 2HE LYS 48 HE1 LYS 48 5.962 -8.492 -9.133 372 1HZ LYS 48 HZ1 LYS 48 5.726 -5.965 -9.954 373 2HZ LYS 48 HZ3 LYS 48 6.555 -6.636 -11.272 374 3HZ LYS 48 HZ2 LYS 48 5.066 -7.294 -10.774 375 H GLN 49 HN GLN 49 9.785 -5.324 -5.290 376 HA GLN 49 HA GLN 49 11.564 -3.019 -4.587 377 1HB GLN 49 HB2 GLN 49 8.576 -3.396 -4.436 378 2HB GLN 49 HB1 GLN 49 9.382 -2.275 -3.353 379 1HG GLN 49 HG2 GLN 49 10.339 -1.076 -5.283 380 2HG GLN 49 HG1 GLN 49 9.553 -2.216 -6.377 381 1HE2 GLN 49 HE22 GLN 49 7.197 0.582 -6.266 382 2HE2 GLN 49 HE21 GLN 49 8.686 0.190 -6.980 383 H VAL 50 HN VAL 50 12.212 -2.980 -2.389 384 HA VAL 50 HA VAL 50 11.242 -5.208 -0.634 385 HB VAL 50 HB VAL 50 14.153 -4.400 -0.853 386 1HG1 VAL 50 HG13 VAL 50 12.733 -6.784 0.366 387 2HG1 VAL 50 HG12 VAL 50 14.479 -6.560 0.323 388 3HG1 VAL 50 HG11 VAL 50 13.470 -5.452 1.253 389 1HG2 VAL 50 HG21 VAL 50 12.553 -6.432 -2.400 390 2HG2 VAL 50 HG23 VAL 50 13.832 -5.358 -2.964 391 3HG2 VAL 50 HG22 VAL 50 14.238 -6.779 -2.003 392 H CYS 51 HN CYS 51 10.552 -4.361 1.246 393 HA CYS 51 HA CYS 51 11.080 -1.602 1.953 394 1HB CYS 51 HB2 CYS 51 9.834 -3.861 3.545 395 2HB CYS 51 HB1 CYS 51 9.827 -2.167 4.023 396 H ALA 52 HN ALA 52 12.309 -0.859 3.776 397 HA ALA 52 HA ALA 52 14.119 -2.834 5.081 398 1HB ALA 52 HB1 ALA 52 15.185 -1.816 2.971 399 2HB ALA 52 HB3 ALA 52 15.207 -0.290 3.856 400 3HB ALA 52 HB2 ALA 52 16.106 -1.679 4.468 401 H ASP 53 HN ASP 53 14.581 -2.275 7.177 402 HA ASP 53 HA ASP 53 13.058 -0.209 8.451 403 1HB ASP 53 HB2 ASP 53 14.996 -2.293 9.238 404 2HB ASP 53 HB1 ASP 53 15.043 -0.876 10.283 405 HA PRO 54 HA PRO 54 16.127 2.979 7.322 406 1HB PRO 54 HB2 PRO 54 14.796 4.950 8.958 407 2HB PRO 54 HB1 PRO 54 14.750 4.806 7.195 408 1HG PRO 54 HG2 PRO 54 12.632 4.197 9.085 409 2HG PRO 54 HG1 PRO 54 12.575 4.101 7.321 410 1HD PRO 54 HD2 PRO 54 12.681 1.911 9.201 411 2HD PRO 54 HD1 PRO 54 12.637 1.815 7.427 412 H SER 55 HN SER 55 15.339 1.573 10.266 413 HA SER 55 HA SER 55 17.018 3.183 12.012 414 1HB SER 55 HB2 SER 55 15.160 1.907 12.950 415 2HB SER 55 HB1 SER 55 15.850 0.404 12.344 416 HG SER 55 HG SER 55 16.392 0.723 14.524 417 H GLU 56 HN GLU 56 17.551 0.484 9.856 418 HA GLU 56 HA GLU 56 20.092 -0.267 11.113 419 1HB GLU 56 HB2 GLU 56 18.770 -1.047 8.505 420 2HB GLU 56 HB1 GLU 56 20.356 -1.644 8.990 421 1HG GLU 56 HG2 GLU 56 19.108 -2.328 11.215 422 2HG GLU 56 HG1 GLU 56 17.659 -2.193 10.221 423 H SER 57 HN SER 57 21.835 0.942 10.911 424 HA SER 57 HA SER 57 22.175 3.252 9.430 425 1HB SER 57 HB2 SER 57 24.662 2.802 9.659 426 2HB SER 57 HB1 SER 57 23.737 2.738 11.157 427 HG SER 57 HG SER 57 24.799 0.873 11.231 428 CH2 TRP 58 CH2 TRP 58 19.097 -2.594 3.230 429 H TRP 58 HN TRP 58 22.971 -0.057 8.302 430 HA TRP 58 HA TRP 58 24.316 0.792 5.953 431 1HB TRP 58 HB2 TRP 58 24.130 -1.409 5.139 432 2HB TRP 58 HB1 TRP 58 24.173 -1.586 6.886 433 HD1 TRP 58 HD1 TRP 58 22.297 -2.912 7.954 434 HE1 TRP 58 HE1 TRP 58 20.073 -3.921 7.139 435 HE3 TRP 58 HE3 TRP 58 22.015 -0.818 3.285 436 HZ2 TRP 58 HZ2 TRP 58 18.371 -3.833 4.843 437 HZ3 TRP 58 HZ3 TRP 58 20.076 -1.293 1.812 438 HH2 TRP 58 HH2 TRP 58 18.257 -2.802 2.584 439 H VAL 59 HN VAL 59 20.887 0.540 6.651 440 HA VAL 59 HA VAL 59 19.961 0.831 3.950 441 HB VAL 59 HB VAL 59 18.704 1.726 6.564 442 1HG1 VAL 59 HG12 VAL 59 17.662 1.539 3.740 443 2HG1 VAL 59 HG11 VAL 59 16.573 1.379 5.116 444 3HG1 VAL 59 HG13 VAL 59 17.499 2.862 4.890 445 1HG2 VAL 59 HG22 VAL 59 19.317 -0.708 6.302 446 2HG2 VAL 59 HG21 VAL 59 17.596 -0.416 6.538 447 3HG2 VAL 59 HG23 VAL 59 18.218 -0.775 4.927 448 H GLN 60 HN GLN 60 20.668 3.164 6.523 449 HA GLN 60 HA GLN 60 20.011 5.492 4.990 450 1HB GLN 60 HB2 GLN 60 20.635 5.047 7.595 451 2HB GLN 60 HB1 GLN 60 22.191 5.657 7.046 452 1HG GLN 60 HG2 GLN 60 21.205 7.725 6.308 453 2HG GLN 60 HG1 GLN 60 19.572 7.104 6.556 454 1HE2 GLN 60 HE22 GLN 60 20.990 9.098 9.563 455 2HE2 GLN 60 HE21 GLN 60 21.202 9.394 7.905 456 H GLU 61 HN GLU 61 23.024 3.696 5.441 457 HA GLU 61 HA GLU 61 24.725 5.465 3.979 458 1HB GLU 61 HB2 GLU 61 25.498 3.587 5.463 459 2HB GLU 61 HB1 GLU 61 25.003 2.457 4.203 460 1HG GLU 61 HG2 GLU 61 26.595 3.342 2.651 461 2HG GLU 61 HG1 GLU 61 26.929 4.733 3.684 462 OH TYR 62 OH TYR 62 25.578 -3.079 0.885 463 H TYR 62 HN TYR 62 22.950 2.548 2.907 464 HA TYR 62 HA TYR 62 23.832 2.661 0.194 465 1HB TYR 62 HB2 TYR 62 21.441 1.438 1.561 466 2HB TYR 62 HB1 TYR 62 21.533 1.434 -0.199 467 HD1 TYR 62 HD1 TYR 62 24.159 0.956 2.487 468 HD2 TYR 62 HD2 TYR 62 22.129 -0.701 -0.938 469 HE1 TYR 62 HE1 TYR 62 25.656 -1.021 2.555 470 HE2 TYR 62 HE2 TYR 62 23.632 -2.677 -0.867 471 HH TYR 62 HH TYR 62 25.912 -3.230 -0.003 472 H VAL 63 HN VAL 63 21.151 4.275 1.860 473 HA VAL 63 HA VAL 63 19.921 5.327 -0.513 474 HB VAL 63 HB VAL 63 19.900 6.193 2.386 475 1HG1 VAL 63 HG11 VAL 63 18.556 7.442 -0.020 476 2HG1 VAL 63 HG13 VAL 63 17.913 7.633 1.612 477 3HG1 VAL 63 HG12 VAL 63 19.523 8.239 1.221 478 1HG2 VAL 63 HG21 VAL 63 17.836 4.943 0.545 479 2HG2 VAL 63 HG23 VAL 63 18.712 4.114 1.831 480 3HG2 VAL 63 HG22 VAL 63 17.555 5.384 2.229 481 OH TYR 64 OH TYR 64 26.785 13.386 1.804 482 H TYR 64 HN TYR 64 22.398 6.534 1.704 483 HA TYR 64 HA TYR 64 22.738 9.087 0.512 484 1HB TYR 64 HB2 TYR 64 23.729 8.124 2.712 485 2HB TYR 64 HB1 TYR 64 25.015 7.489 1.693 486 HD1 TYR 64 HD1 TYR 64 23.160 10.670 2.435 487 HD2 TYR 64 HD2 TYR 64 26.853 8.863 1.142 488 HE1 TYR 64 HE1 TYR 64 24.257 12.903 2.445 489 HE2 TYR 64 HE2 TYR 64 27.949 11.096 1.152 490 HH TYR 64 HH TYR 64 27.736 13.249 1.789 491 H ASP 65 HN ASP 65 24.263 5.963 -0.155 492 HA ASP 65 HA ASP 65 26.075 6.886 -2.163 493 1HB ASP 65 HB2 ASP 65 24.795 4.212 -1.586 494 2HB ASP 65 HB1 ASP 65 25.869 4.427 -2.963 495 H LEU 66 HN LEU 66 22.689 5.935 -2.293 496 HA LEU 66 HA LEU 66 22.526 5.928 -5.179 497 1HB LEU 66 HB2 LEU 66 20.531 5.991 -2.923 498 2HB LEU 66 HB1 LEU 66 19.988 6.206 -4.581 499 HG LEU 66 HG LEU 66 21.775 3.876 -3.854 500 1HD1 LEU 66 HD11 LEU 66 19.760 3.890 -2.331 501 2HD1 LEU 66 HD13 LEU 66 18.748 3.815 -3.769 502 3HD1 LEU 66 HD12 LEU 66 19.850 2.494 -3.398 503 1HD2 LEU 66 HD21 LEU 66 19.744 4.452 -6.037 504 2HD2 LEU 66 HD23 LEU 66 21.476 4.180 -6.224 505 3HD2 LEU 66 HD22 LEU 66 20.421 2.851 -5.761 506 H GLU 67 HN GLU 67 22.244 8.380 -2.697 507 HA GLU 67 HA GLU 67 21.035 10.372 -4.436 508 1HB GLU 67 HB2 GLU 67 22.540 10.637 -1.813 509 2HB GLU 67 HB1 GLU 67 21.736 11.974 -2.630 510 1HG GLU 67 HG2 GLU 67 19.658 10.259 -2.578 511 2HG GLU 67 HG1 GLU 67 20.541 9.633 -1.190 512 H LEU 68 HN LEU 68 24.314 9.368 -3.677 513 HA LEU 68 HA LEU 68 25.537 11.697 -4.944 514 1HB LEU 68 HB2 LEU 68 26.779 9.023 -4.271 515 2HB LEU 68 HB1 LEU 68 27.648 10.498 -4.681 516 HG LEU 68 HG LEU 68 25.748 10.313 -2.332 517 1HD1 LEU 68 HD12 LEU 68 28.725 9.826 -2.501 518 2HD1 LEU 68 HD11 LEU 68 27.882 10.147 -0.986 519 3HD1 LEU 68 HD13 LEU 68 27.487 8.713 -1.927 520 1HD2 LEU 68 HD22 LEU 68 27.886 12.286 -3.208 521 2HD2 LEU 68 HD21 LEU 68 26.171 12.607 -2.960 522 3HD2 LEU 68 HD23 LEU 68 27.211 12.278 -1.581 523 H ASN 69 HN ASN 69 26.239 8.349 -5.848 524 HA ASN 69 HA ASN 69 26.244 9.163 -8.684 525 1HB ASN 69 HB2 ASN 69 27.880 7.507 -7.261 526 2HB ASN 69 HB1 ASN 69 26.772 6.315 -7.935 527 1HD2 ASN 69 HD22 ASN 69 29.464 8.194 -10.352 528 2HD2 ASN 69 HD21 ASN 69 29.317 8.616 -8.713 529 1H ALA 1 HT1 ALA 1 10.043 -18.471 -11.557 530 2H ALA 1 HT3 ALA 1 8.681 -18.949 -12.447 531 3H ALA 1 HT2 ALA 1 9.913 -18.056 -13.200 532 HA ALA 1 HA ALA 1 9.069 -16.117 -12.545 533 1HB ALA 1 HB1 ALA 1 7.023 -17.549 -13.138 534 2HB ALA 1 HB3 ALA 1 6.762 -17.697 -11.400 535 3HB ALA 1 HB2 ALA 1 6.720 -16.109 -12.167 536 HA PRO 2 HA PRO 2 10.357 -16.816 -8.103 537 1HB PRO 2 HB2 PRO 2 12.180 -14.571 -8.435 538 2HB PRO 2 HB1 PRO 2 12.580 -16.266 -8.122 539 1HG PRO 2 HG2 PRO 2 12.954 -14.838 -10.584 540 2HG PRO 2 HG1 PRO 2 13.233 -16.561 -10.299 541 1HD PRO 2 HD2 PRO 2 11.062 -15.311 -11.789 542 2HD PRO 2 HD1 PRO 2 11.420 -17.042 -11.621 543 H MET 3 HN MET 3 9.384 -15.640 -6.455 544 HA MET 3 HA MET 3 7.686 -13.390 -7.222 545 1HB MET 3 HB2 MET 3 8.159 -14.239 -4.368 546 2HB MET 3 HB1 MET 3 6.678 -13.645 -5.121 547 1HG MET 3 HG2 MET 3 6.612 -15.759 -6.486 548 2HG MET 3 HG1 MET 3 7.976 -16.350 -5.537 549 1HE MET 3 HE3 MET 3 6.585 -18.341 -5.198 550 2HE MET 3 HE2 MET 3 7.390 -18.083 -3.652 551 3HE MET 3 HE1 MET 3 5.694 -18.558 -3.685 552 H GLY 4 HN GLY 4 7.814 -11.258 -6.217 553 1HA GLY 4 HA2 GLY 4 10.376 -10.079 -6.233 554 2HA GLY 4 HA1 GLY 4 8.973 -9.367 -5.432 555 H SER 5 HN SER 5 11.089 -8.817 -4.011 556 HA SER 5 HA SER 5 11.771 -11.019 -2.174 557 1HB SER 5 HB2 SER 5 13.036 -8.621 -3.007 558 2HB SER 5 HB1 SER 5 12.761 -8.453 -1.276 559 HG SER 5 HG SER 5 14.317 -10.280 -2.699 560 H ASP 6 HN ASP 6 10.677 -7.659 -1.533 561 HA ASP 6 HA ASP 6 8.462 -8.622 0.110 562 1HB ASP 6 HB2 ASP 6 11.066 -8.093 1.318 563 2HB ASP 6 HB1 ASP 6 9.859 -7.012 1.999 564 HA PRO 7 HA PRO 7 8.154 -4.437 -1.886 565 1HB PRO 7 HB2 PRO 7 5.494 -5.188 -2.794 566 2HB PRO 7 HB1 PRO 7 6.929 -4.876 -3.777 567 1HG PRO 7 HG2 PRO 7 5.706 -7.424 -3.287 568 2HG PRO 7 HG1 PRO 7 7.214 -7.116 -4.160 569 1HD PRO 7 HD2 PRO 7 6.865 -8.240 -1.484 570 2HD PRO 7 HD1 PRO 7 8.359 -8.110 -2.437 571 HA PRO 8 HA PRO 8 5.660 -2.710 1.340 572 1HB PRO 8 HB2 PRO 8 4.022 -0.924 -0.195 573 2HB PRO 8 HB1 PRO 8 5.552 -0.539 0.605 574 1HG PRO 8 HG2 PRO 8 5.036 -0.911 -2.262 575 2HG PRO 8 HG1 PRO 8 6.482 -0.261 -1.475 576 1HD PRO 8 HD2 PRO 8 6.235 -2.827 -2.701 577 2HD PRO 8 HD1 PRO 8 7.584 -2.255 -1.697 578 H THR 9 HN THR 9 2.938 -1.814 1.201 579 HA THR 9 HA THR 9 1.341 -3.982 0.012 580 HB THR 9 HB THR 9 1.232 -3.584 3.007 581 HG1 THR 9 HG1 THR 9 2.861 -5.186 1.415 582 1HG2 THR 9 HG21 THR 9 0.133 -5.665 1.097 583 2HG2 THR 9 HG23 THR 9 0.081 -5.818 2.853 584 3HG2 THR 9 HG22 THR 9 -0.792 -4.510 2.057 585 H ALA 10 HN ALA 10 -0.512 -3.084 -0.672 586 HA ALA 10 HA ALA 10 -1.188 -0.349 -0.063 587 1HB ALA 10 HB2 ALA 10 -2.621 -2.589 -1.498 588 2HB ALA 10 HB1 ALA 10 -3.357 -1.001 -1.284 589 3HB ALA 10 HB3 ALA 10 -1.856 -1.161 -2.196 590 H CYS 11 HN CYS 11 -1.315 -0.466 2.302 591 HA CYS 11 HA CYS 11 -3.809 -1.778 3.339 592 1HB CYS 11 HB2 CYS 11 -1.437 -0.719 4.911 593 2HB CYS 11 HB1 CYS 11 -2.782 -1.674 5.536 594 H CYS 12 HN CYS 12 -5.394 -0.462 4.215 595 HA CYS 12 HA CYS 12 -5.267 2.374 3.626 596 1HB CYS 12 HB2 CYS 12 -7.273 0.768 5.240 597 2HB CYS 12 HB1 CYS 12 -7.486 2.450 4.764 598 H PHE 13 HN PHE 13 -4.971 4.085 5.049 599 HA PHE 13 HA PHE 13 -3.850 3.383 7.730 600 1HB PHE 13 HB2 PHE 13 -2.814 5.583 7.675 601 2HB PHE 13 HB1 PHE 13 -2.475 4.774 6.144 602 HD1 PHE 13 HD2 PHE 13 -3.968 5.279 4.131 603 HD2 PHE 13 HD1 PHE 13 -4.003 7.643 7.734 604 HE1 PHE 13 HE2 PHE 13 -5.072 7.138 2.902 605 HE2 PHE 13 HE1 PHE 13 -5.109 9.501 6.506 606 HZ PHE 13 HZ PHE 13 -5.644 9.249 4.088 607 H SER 14 HN SER 14 -6.532 4.803 6.135 608 HA SER 14 HA SER 14 -7.874 5.296 8.698 609 1HB SER 14 HB2 SER 14 -8.444 7.640 8.139 610 2HB SER 14 HB1 SER 14 -6.704 7.435 8.324 611 HG SER 14 HG SER 14 -8.017 8.360 6.236 612 OH TYR 15 OH TYR 15 -8.979 1.064 9.708 613 H TYR 15 HN TYR 15 -9.947 6.927 7.405 614 HA TYR 15 HA TYR 15 -10.902 5.307 5.133 615 1HB TYR 15 HB2 TYR 15 -12.694 5.466 7.560 616 2HB TYR 15 HB1 TYR 15 -12.789 4.366 6.184 617 HD1 TYR 15 HD1 TYR 15 -11.057 5.122 9.352 618 HD2 TYR 15 HD2 TYR 15 -11.347 2.395 6.029 619 HE1 TYR 15 HE1 TYR 15 -9.683 3.462 10.597 620 HE2 TYR 15 HE2 TYR 15 -9.976 0.734 7.276 621 HH TYR 15 HH TYR 15 -9.554 0.338 9.963 622 H THR 16 HN THR 16 -12.972 6.242 4.257 623 HA THR 16 HA THR 16 -12.840 9.098 4.155 624 HB THR 16 HB THR 16 -13.878 7.824 2.346 625 HG1 THR 16 HG1 THR 16 -15.470 9.226 2.012 626 1HG2 THR 16 HG23 THR 16 -14.839 6.055 3.870 627 2HG2 THR 16 HG22 THR 16 -16.130 7.191 4.261 628 3HG2 THR 16 HG21 THR 16 -15.933 6.614 2.606 629 H ALA 17 HN ALA 17 -15.657 9.793 4.573 630 HA ALA 17 HA ALA 17 -16.062 9.261 7.475 631 1HB ALA 17 HB3 ALA 17 -15.563 11.968 6.225 632 2HB ALA 17 HB2 ALA 17 -16.426 11.794 7.754 633 3HB ALA 17 HB1 ALA 17 -14.758 11.241 7.615 634 NH1 ARG 18 NH2 ARG 18 -18.486 15.743 2.681 635 NH2 ARG 18 NH1 ARG 18 -20.387 15.637 1.466 636 H ARG 18 HN ARG 18 -17.342 9.366 4.456 637 HA ARG 18 HA ARG 18 -20.103 9.782 5.523 638 1HB ARG 18 HB2 ARG 18 -18.881 11.012 3.047 639 2HB ARG 18 HB1 ARG 18 -20.620 10.872 3.269 640 1HG ARG 18 HG2 ARG 18 -20.702 12.532 4.867 641 2HG ARG 18 HG1 ARG 18 -19.175 12.052 5.596 642 1HD ARG 18 HD2 ARG 18 -18.744 14.175 4.669 643 2HD ARG 18 HD1 ARG 18 -18.053 13.058 3.499 644 HE ARG 18 HE ARG 18 -20.679 13.490 2.637 645 1HH1 ARG 18 HH21 ARG 18 -17.866 15.341 3.354 646 2HH1 ARG 18 HH22 ARG 18 -18.265 16.622 2.259 647 1HH2 ARG 18 HH11 ARG 18 -21.224 15.155 1.208 648 2HH2 ARG 18 HH12 ARG 18 -20.168 16.518 1.045 649 H LYS 19 HN LYS 19 -21.536 8.243 4.772 650 HA LYS 19 HA LYS 19 -20.519 5.908 3.458 651 1HB LYS 19 HB2 LYS 19 -22.473 5.830 4.944 652 2HB LYS 19 HB1 LYS 19 -23.386 6.829 3.828 653 1HG LYS 19 HG2 LYS 19 -22.775 4.903 2.087 654 2HG LYS 19 HG1 LYS 19 -22.557 3.963 3.539 655 1HD LYS 19 HD2 LYS 19 -25.065 5.281 2.535 656 2HD LYS 19 HD1 LYS 19 -24.795 3.581 2.902 657 1HE LYS 19 HE2 LYS 19 -25.959 4.190 4.804 658 2HE LYS 19 HE1 LYS 19 -24.333 4.579 5.354 659 1HZ LYS 19 HZ3 LYS 19 -25.458 6.723 3.860 660 2HZ LYS 19 HZ2 LYS 19 -26.471 6.301 5.158 661 3HZ LYS 19 HZ1 LYS 19 -24.851 6.728 5.443 662 H LEU 20 HN LEU 20 -20.313 5.461 1.331 663 HA LEU 20 HA LEU 20 -20.857 7.509 -0.644 664 1HB LEU 20 HB2 LEU 20 -20.225 4.620 -1.257 665 2HB LEU 20 HB1 LEU 20 -19.824 6.048 -2.200 666 HG LEU 20 HG LEU 20 -18.664 5.373 0.520 667 1HD1 LEU 20 HD13 LEU 20 -17.964 3.867 -1.348 668 2HD1 LEU 20 HD12 LEU 20 -17.404 5.285 -2.235 669 3HD1 LEU 20 HD11 LEU 20 -16.634 4.837 -0.713 670 1HD2 LEU 20 HD22 LEU 20 -18.063 7.577 -1.483 671 2HD2 LEU 20 HD21 LEU 20 -18.700 7.787 0.149 672 3HD2 LEU 20 HD23 LEU 20 -17.053 7.206 -0.086 673 HA PRO 21 HA PRO 21 -25.142 6.078 -1.059 674 1HB PRO 21 HB2 PRO 21 -25.268 7.338 -3.705 675 2HB PRO 21 HB1 PRO 21 -26.128 7.785 -2.230 676 1HG PRO 21 HG2 PRO 21 -23.944 9.193 -3.411 677 2HG PRO 21 HG1 PRO 21 -24.674 9.516 -1.832 678 1HD PRO 21 HD2 PRO 21 -22.072 8.339 -2.399 679 2HD PRO 21 HD1 PRO 21 -22.765 8.769 -0.818 680 NH1 ARG 22 NH2 ARG 22 -26.756 -1.070 -6.417 681 NH2 ARG 22 NH1 ARG 22 -26.291 -3.121 -5.591 682 H ARG 22 HN ARG 22 -26.003 4.261 -2.144 683 HA ARG 22 HA ARG 22 -24.304 2.425 -3.418 684 1HB ARG 22 HB2 ARG 22 -26.704 2.072 -2.562 685 2HB ARG 22 HB1 ARG 22 -27.238 2.710 -4.115 686 1HG ARG 22 HG2 ARG 22 -26.139 0.941 -5.313 687 2HG ARG 22 HG1 ARG 22 -25.324 0.373 -3.858 688 1HD ARG 22 HD2 ARG 22 -27.645 -0.018 -2.871 689 2HD ARG 22 HD1 ARG 22 -28.291 0.253 -4.484 690 HE ARG 22 HE ARG 22 -27.109 -2.171 -3.488 691 1HH1 ARG 22 HH21 ARG 22 -27.106 -0.144 -6.289 692 2HH1 ARG 22 HH22 ARG 22 -26.453 -1.369 -7.323 693 1HH2 ARG 22 HH11 ARG 22 -26.282 -3.766 -4.828 694 2HH2 ARG 22 HH12 ARG 22 -25.995 -3.417 -6.500 695 H ASN 23 HN ASN 23 -25.992 5.192 -4.679 696 HA ASN 23 HA ASN 23 -25.619 4.574 -7.484 697 1HB ASN 23 HB2 ASN 23 -27.212 6.311 -6.155 698 2HB ASN 23 HB1 ASN 23 -25.906 7.417 -6.561 699 1HD2 ASN 23 HD22 ASN 23 -28.001 7.797 -9.478 700 2HD2 ASN 23 HD21 ASN 23 -27.775 8.399 -7.907 701 H PHE 24 HN PHE 24 -23.297 4.836 -5.361 702 HA PHE 24 HA PHE 24 -21.436 6.250 -7.222 703 1HB PHE 24 HB2 PHE 24 -22.279 7.659 -5.162 704 2HB PHE 24 HB1 PHE 24 -21.210 6.623 -4.226 705 HD1 PHE 24 HD1 PHE 24 -21.060 8.478 -7.526 706 HD2 PHE 24 HD2 PHE 24 -19.100 7.535 -3.801 707 HE1 PHE 24 HE1 PHE 24 -19.131 9.899 -8.172 708 HE2 PHE 24 HE2 PHE 24 -17.175 8.959 -4.453 709 HZ PHE 24 HZ PHE 24 -17.188 10.140 -6.634 710 H VAL 25 HN VAL 25 -22.020 3.401 -6.530 711 HA VAL 25 HA VAL 25 -19.228 2.602 -5.919 712 HB VAL 25 HB VAL 25 -21.610 1.448 -4.435 713 1HG1 VAL 25 HG13 VAL 25 -19.045 0.352 -4.929 714 2HG1 VAL 25 HG12 VAL 25 -18.952 0.982 -3.291 715 3HG1 VAL 25 HG11 VAL 25 -20.196 -0.185 -3.709 716 1HG2 VAL 25 HG23 VAL 25 -19.506 3.466 -3.596 717 2HG2 VAL 25 HG22 VAL 25 -21.258 3.675 -3.597 718 3HG2 VAL 25 HG21 VAL 25 -20.501 2.579 -2.442 719 H VAL 26 HN VAL 26 -19.069 1.801 -8.052 720 HA VAL 26 HA VAL 26 -21.089 -0.118 -9.029 721 HB VAL 26 HB VAL 26 -19.677 -0.136 -11.074 722 1HG1 VAL 26 HG13 VAL 26 -20.555 2.491 -9.884 723 2HG1 VAL 26 HG12 VAL 26 -19.918 2.395 -11.526 724 3HG1 VAL 26 HG11 VAL 26 -21.378 1.507 -11.092 725 1HG2 VAL 26 HG22 VAL 26 -17.974 1.795 -9.469 726 2HG2 VAL 26 HG21 VAL 26 -17.490 0.191 -10.018 727 3HG2 VAL 26 HG23 VAL 26 -17.781 1.474 -11.191 728 H ASP 27 HN ASP 27 -18.183 -0.207 -7.238 729 HA ASP 27 HA ASP 27 -18.211 -3.102 -7.174 730 1HB ASP 27 HB2 ASP 27 -17.107 -2.542 -9.420 731 2HB ASP 27 HB1 ASP 27 -15.770 -1.876 -8.481 732 OH TYR 28 OH TYR 28 -16.421 -8.704 -2.653 733 H TYR 28 HN TYR 28 -15.775 -3.710 -6.217 734 HA TYR 28 HA TYR 28 -14.808 -1.630 -4.405 735 1HB TYR 28 HB2 TYR 28 -15.411 -2.638 -2.345 736 2HB TYR 28 HB1 TYR 28 -16.881 -2.609 -3.305 737 HD1 TYR 28 HD2 TYR 28 -17.112 -4.803 -4.932 738 HD2 TYR 28 HD1 TYR 28 -14.971 -4.623 -1.196 739 HE1 TYR 28 HE2 TYR 28 -17.350 -7.260 -4.679 740 HE2 TYR 28 HE1 TYR 28 -15.202 -7.080 -0.938 741 HH TYR 28 HH TYR 28 -16.212 -9.111 -3.498 742 OH TYR 29 OH TYR 29 -5.422 -5.001 -2.832 743 H TYR 29 HN TYR 29 -13.296 -2.893 -2.725 744 HA TYR 29 HA TYR 29 -11.905 -5.188 -3.865 745 1HB TYR 29 HB2 TYR 29 -10.874 -3.621 -5.307 746 2HB TYR 29 HB1 TYR 29 -10.843 -2.368 -4.073 747 HD1 TYR 29 HD1 TYR 29 -9.526 -5.833 -4.681 748 HD2 TYR 29 HD2 TYR 29 -8.809 -1.932 -3.000 749 HE1 TYR 29 HE1 TYR 29 -7.215 -6.525 -4.059 750 HE2 TYR 29 HE2 TYR 29 -6.500 -2.621 -2.376 751 HH TYR 29 HH TYR 29 -4.810 -4.367 -3.214 752 H GLU 30 HN GLU 30 -10.646 -6.176 -2.219 753 HA GLU 30 HA GLU 30 -10.889 -4.909 0.478 754 1HB GLU 30 HB2 GLU 30 -10.367 -7.728 -0.466 755 2HB GLU 30 HB1 GLU 30 -10.100 -7.251 1.208 756 1HG GLU 30 HG2 GLU 30 -12.392 -6.687 1.519 757 2HG GLU 30 HG1 GLU 30 -12.715 -6.724 -0.214 758 H THR 31 HN THR 31 -9.005 -4.816 1.861 759 HA THR 31 HA THR 31 -6.595 -4.019 0.461 760 HB THR 31 HB THR 31 -5.663 -3.878 2.835 761 HG1 THR 31 HG1 THR 31 -7.542 -5.523 3.315 762 1HG2 THR 31 HG23 THR 31 -6.936 -2.031 1.592 763 2HG2 THR 31 HG22 THR 31 -8.347 -2.521 2.528 764 3HG2 THR 31 HG21 THR 31 -6.912 -1.913 3.349 765 H SER 32 HN SER 32 -4.512 -5.005 1.934 766 HA SER 32 HA SER 32 -4.290 -7.735 0.881 767 1HB SER 32 HB2 SER 32 -2.490 -5.763 1.022 768 2HB SER 32 HB1 SER 32 -2.140 -6.518 2.574 769 HG SER 32 HG SER 32 -1.993 -7.591 -0.033 770 H SER 33 HN SER 33 -2.391 -8.450 3.076 771 HA SER 33 HA SER 33 -4.255 -8.874 5.372 772 1HB SER 33 HB2 SER 33 -4.012 -11.213 5.345 773 2HB SER 33 HB1 SER 33 -4.177 -10.822 3.637 774 HG SER 33 HG SER 33 -2.401 -12.108 3.798 775 H LEU 34 HN LEU 34 -1.019 -8.993 4.019 776 HA LEU 34 HA LEU 34 0.632 -9.680 6.094 777 1HB LEU 34 HB2 LEU 34 1.138 -7.128 4.561 778 2HB LEU 34 HB1 LEU 34 2.312 -8.295 5.158 779 HG LEU 34 HG LEU 34 0.323 -8.723 2.917 780 1HD1 LEU 34 HD13 LEU 34 2.506 -7.371 2.577 781 2HD1 LEU 34 HD12 LEU 34 3.328 -8.918 2.791 782 3HD1 LEU 34 HD11 LEU 34 2.182 -8.706 1.470 783 1HD2 LEU 34 HD23 LEU 34 2.145 -10.617 4.410 784 2HD2 LEU 34 HD22 LEU 34 0.451 -10.835 3.970 785 3HD2 LEU 34 HD21 LEU 34 1.701 -10.929 2.731 786 H CYS 35 HN CYS 35 -0.592 -6.349 5.642 787 HA CYS 35 HA CYS 35 0.349 -5.492 8.234 788 1HB CYS 35 HB2 CYS 35 -1.337 -3.557 7.751 789 2HB CYS 35 HB1 CYS 35 0.073 -3.728 6.710 790 H SER 36 HN SER 36 -0.614 -5.754 10.182 791 HA SER 36 HA SER 36 -2.918 -7.425 10.478 792 1HB SER 36 HB2 SER 36 -2.360 -5.799 12.851 793 2HB SER 36 HB1 SER 36 -2.171 -7.535 12.623 794 HG SER 36 HG SER 36 -0.249 -5.941 12.919 795 H GLN 37 HN GLN 37 -3.509 -4.936 8.873 796 HA GLN 37 HA GLN 37 -5.959 -4.219 10.367 797 1HB GLN 37 HB2 GLN 37 -5.459 -1.739 9.988 798 2HB GLN 37 HB1 GLN 37 -4.545 -2.531 11.270 799 1HG GLN 37 HG2 GLN 37 -2.645 -2.848 9.720 800 2HG GLN 37 HG1 GLN 37 -3.557 -2.046 8.442 801 1HE2 GLN 37 HE22 GLN 37 -2.466 1.119 9.496 802 2HE2 GLN 37 HE21 GLN 37 -2.948 0.104 8.224 803 HA PRO 38 HA PRO 38 -6.329 -4.308 5.700 804 1HB PRO 38 HB2 PRO 38 -8.403 -6.257 5.818 805 2HB PRO 38 HB1 PRO 38 -6.725 -6.545 5.339 806 1HG PRO 38 HG2 PRO 38 -8.070 -7.366 7.809 807 2HG PRO 38 HG1 PRO 38 -6.470 -7.834 7.219 808 1HD PRO 38 HD2 PRO 38 -7.075 -5.982 9.348 809 2HD PRO 38 HD1 PRO 38 -5.475 -6.408 8.709 810 H ALA 39 HN ALA 39 -8.658 -4.124 4.605 811 HA ALA 39 HA ALA 39 -10.842 -3.169 6.210 812 1HB ALA 39 HB3 ALA 39 -9.162 -1.260 6.366 813 2HB ALA 39 HB2 ALA 39 -9.360 -1.055 4.626 814 3HB ALA 39 HB1 ALA 39 -10.736 -0.819 5.703 815 H VAL 40 HN VAL 40 -12.562 -2.203 4.656 816 HA VAL 40 HA VAL 40 -12.379 -3.698 2.070 817 HB VAL 40 HB VAL 40 -14.682 -2.441 3.597 818 1HG1 VAL 40 HG12 VAL 40 -14.540 -3.377 0.724 819 2HG1 VAL 40 HG11 VAL 40 -16.062 -3.352 1.616 820 3HG1 VAL 40 HG13 VAL 40 -15.174 -1.852 1.338 821 1HG2 VAL 40 HG23 VAL 40 -13.793 -4.786 4.089 822 2HG2 VAL 40 HG22 VAL 40 -15.506 -4.689 3.681 823 3HG2 VAL 40 HG21 VAL 40 -14.341 -5.231 2.473 824 H VAL 41 HN VAL 41 -12.434 -2.599 0.124 825 HA VAL 41 HA VAL 41 -12.229 0.388 0.273 826 HB VAL 41 HB VAL 41 -10.902 -1.285 -1.849 827 1HG1 VAL 41 HG11 VAL 41 -10.318 1.411 -0.603 828 2HG1 VAL 41 HG13 VAL 41 -9.357 0.639 -1.864 829 3HG1 VAL 41 HG12 VAL 41 -11.022 1.125 -2.196 830 1HG2 VAL 41 HG23 VAL 41 -9.863 -0.617 0.922 831 2HG2 VAL 41 HG22 VAL 41 -10.103 -2.227 0.246 832 3HG2 VAL 41 HG21 VAL 41 -8.844 -1.178 -0.403 833 H PHE 42 HN PHE 42 -13.912 1.366 -0.733 834 HA PHE 42 HA PHE 42 -15.515 -0.177 -2.688 835 1HB PHE 42 HB2 PHE 42 -15.915 2.461 -1.270 836 2HB PHE 42 HB1 PHE 42 -16.985 1.924 -2.556 837 HD1 PHE 42 HD2 PHE 42 -17.728 -0.699 -2.275 838 HD2 PHE 42 HD1 PHE 42 -16.591 1.970 0.916 839 HE1 PHE 42 HE2 PHE 42 -18.981 -2.102 -0.655 840 HE2 PHE 42 HE1 PHE 42 -17.848 0.566 2.532 841 HZ PHE 42 HZ PHE 42 -19.045 -1.472 1.748 842 H GLN 43 HN GLN 43 -15.649 0.292 -4.833 843 HA GLN 43 HA GLN 43 -13.820 2.393 -5.925 844 1HB GLN 43 HB2 GLN 43 -15.153 -0.018 -7.209 845 2HB GLN 43 HB1 GLN 43 -14.131 1.126 -8.070 846 1HG GLN 43 HG2 GLN 43 -12.204 0.525 -6.811 847 2HG GLN 43 HG1 GLN 43 -13.169 -0.341 -5.614 848 1HE2 GLN 43 HE22 GLN 43 -12.902 -2.142 -9.308 849 2HE2 GLN 43 HE21 GLN 43 -13.116 -0.461 -9.227 850 H THR 44 HN THR 44 -14.849 4.299 -6.556 851 HA THR 44 HA THR 44 -17.822 4.203 -6.856 852 HB THR 44 HB THR 44 -17.842 6.484 -6.377 853 HG1 THR 44 HG1 THR 44 -16.136 6.822 -8.028 854 1HG2 THR 44 HG22 THR 44 -16.838 4.959 -4.547 855 2HG2 THR 44 HG21 THR 44 -15.291 5.692 -4.975 856 3HG2 THR 44 HG23 THR 44 -16.606 6.697 -4.369 857 H LYS 45 HN LYS 45 -18.109 6.565 -8.343 858 HA LYS 45 HA LYS 45 -17.383 5.609 -11.087 859 1HB LYS 45 HB2 LYS 45 -19.576 7.573 -10.377 860 2HB LYS 45 HB1 LYS 45 -19.384 6.647 -11.863 861 1HG LYS 45 HG2 LYS 45 -19.796 4.562 -10.627 862 2HG LYS 45 HG1 LYS 45 -19.980 5.479 -9.131 863 1HD LYS 45 HD2 LYS 45 -21.957 6.558 -9.911 864 2HD LYS 45 HD1 LYS 45 -21.673 6.042 -11.573 865 1HE LYS 45 HE2 LYS 45 -22.158 3.757 -11.037 866 2HE LYS 45 HE1 LYS 45 -22.154 4.098 -9.306 867 1HZ LYS 45 HZ3 LYS 45 -23.995 5.658 -10.931 868 2HZ LYS 45 HZ2 LYS 45 -24.364 4.010 -10.759 869 3HZ LYS 45 HZ1 LYS 45 -24.207 4.995 -9.385 870 NH1 ARG 46 NH2 ARG 46 -15.200 14.245 -11.932 871 NH2 ARG 46 NH1 ARG 46 -15.874 16.273 -11.195 872 H ARG 46 HN ARG 46 -17.138 8.284 -8.838 873 HA ARG 46 HA ARG 46 -15.649 9.850 -10.920 874 1HB ARG 46 HB2 ARG 46 -18.012 10.717 -10.221 875 2HB ARG 46 HB1 ARG 46 -17.242 11.163 -8.710 876 1HG ARG 46 HG2 ARG 46 -16.005 12.038 -11.321 877 2HG ARG 46 HG1 ARG 46 -17.386 12.915 -10.685 878 1HD ARG 46 HD2 ARG 46 -15.919 12.918 -8.449 879 2HD ARG 46 HD1 ARG 46 -14.596 12.737 -9.598 880 HE ARG 46 HE ARG 46 -15.976 15.148 -9.016 881 1HH1 ARG 46 HH21 ARG 46 -14.959 13.295 -11.751 882 2HH1 ARG 46 HH22 ARG 46 -15.116 14.612 -12.859 883 1HH2 ARG 46 HH11 ARG 46 -16.156 16.873 -10.446 884 2HH2 ARG 46 HH12 ARG 46 -15.784 16.638 -12.121 885 H SER 47 HN SER 47 -14.263 8.143 -9.406 886 HA SER 47 HA SER 47 -12.483 9.869 -7.958 887 1HB SER 47 HB2 SER 47 -12.739 9.045 -5.735 888 2HB SER 47 HB1 SER 47 -14.364 9.452 -6.274 889 HG SER 47 HG SER 47 -14.207 7.368 -5.285 890 H LYS 48 HN LYS 48 -12.283 6.986 -6.442 891 HA LYS 48 HA LYS 48 -11.103 5.398 -8.592 892 1HB LYS 48 HB2 LYS 48 -9.427 6.884 -6.568 893 2HB LYS 48 HB1 LYS 48 -8.892 5.298 -7.115 894 1HG LYS 48 HG2 LYS 48 -9.137 6.192 -9.503 895 2HG LYS 48 HG1 LYS 48 -9.303 7.792 -8.776 896 1HD LYS 48 HD2 LYS 48 -7.140 7.381 -7.553 897 2HD LYS 48 HD1 LYS 48 -6.956 5.899 -8.487 898 1HE LYS 48 HE2 LYS 48 -7.517 8.213 -10.217 899 2HE LYS 48 HE1 LYS 48 -6.043 8.419 -9.270 900 1HZ LYS 48 HZ1 LYS 48 -5.805 5.880 -10.054 901 2HZ LYS 48 HZ3 LYS 48 -6.629 6.533 -11.384 902 3HZ LYS 48 HZ2 LYS 48 -5.142 7.198 -10.891 903 H GLN 49 HN GLN 49 -9.876 5.306 -5.393 904 HA GLN 49 HA GLN 49 -11.657 3.011 -4.663 905 1HB GLN 49 HB2 GLN 49 -8.670 3.390 -4.509 906 2HB GLN 49 HB1 GLN 49 -9.479 2.284 -3.412 907 1HG GLN 49 HG2 GLN 49 -10.431 1.059 -5.328 908 2HG GLN 49 HG1 GLN 49 -9.642 2.182 -6.435 909 1HE2 GLN 49 HE22 GLN 49 -7.286 -0.614 -6.278 910 2HE2 GLN 49 HE21 GLN 49 -8.773 -0.232 -7.002 911 H VAL 50 HN VAL 50 -12.312 3.003 -2.466 912 HA VAL 50 HA VAL 50 -11.346 5.255 -0.740 913 HB VAL 50 HB VAL 50 -14.257 4.445 -0.956 914 1HG1 VAL 50 HG13 VAL 50 -12.839 6.845 0.234 915 2HG1 VAL 50 HG12 VAL 50 -14.586 6.621 0.189 916 3HG1 VAL 50 HG11 VAL 50 -13.580 5.526 1.138 917 1HG2 VAL 50 HG21 VAL 50 -12.653 6.454 -2.527 918 2HG2 VAL 50 HG23 VAL 50 -13.929 5.372 -3.079 919 3HG2 VAL 50 HG22 VAL 50 -14.339 6.806 -2.140 920 H CYS 51 HN CYS 51 -10.662 4.434 1.154 921 HA CYS 51 HA CYS 51 -11.192 1.686 1.898 922 1HB CYS 51 HB2 CYS 51 -9.950 3.967 3.461 923 2HB CYS 51 HB1 CYS 51 -9.944 2.280 3.963 924 H ALA 52 HN ALA 52 -12.426 0.969 3.728 925 HA ALA 52 HA ALA 52 -14.239 2.961 5.001 926 1HB ALA 52 HB1 ALA 52 -15.299 1.914 2.902 927 2HB ALA 52 HB3 ALA 52 -15.324 0.401 3.808 928 3HB ALA 52 HB2 ALA 52 -16.225 1.799 4.398 929 H ASP 53 HN ASP 53 -14.707 2.432 7.103 930 HA ASP 53 HA ASP 53 -13.188 0.385 8.410 931 1HB ASP 53 HB2 ASP 53 -15.127 2.480 9.162 932 2HB ASP 53 HB1 ASP 53 -15.177 1.078 10.226 933 HA PRO 54 HA PRO 54 -16.253 -2.819 7.318 934 1HB PRO 54 HB2 PRO 54 -14.927 -4.765 8.985 935 2HB PRO 54 HB1 PRO 54 -14.876 -4.647 7.220 936 1HG PRO 54 HG2 PRO 54 -12.763 -4.012 9.107 937 2HG PRO 54 HG1 PRO 54 -12.702 -3.941 7.342 938 1HD PRO 54 HD2 PRO 54 -12.812 -1.724 9.191 939 2HD PRO 54 HD1 PRO 54 -12.764 -1.654 7.416 940 H SER 55 HN SER 55 -15.473 -1.372 10.243 941 HA SER 55 HA SER 55 -17.157 -2.957 12.007 942 1HB SER 55 HB2 SER 55 -15.302 -1.668 12.932 943 2HB SER 55 HB1 SER 55 -15.989 -0.173 12.303 944 HG SER 55 HG SER 55 -16.538 -0.462 14.486 945 H GLU 56 HN GLU 56 -17.684 -0.288 9.811 946 HA GLU 56 HA GLU 56 -20.228 0.480 11.051 947 1HB GLU 56 HB2 GLU 56 -18.899 1.223 8.436 948 2HB GLU 56 HB1 GLU 56 -20.487 1.828 8.908 949 1HG GLU 56 HG2 GLU 56 -19.245 2.544 11.127 950 2HG GLU 56 HG1 GLU 56 -17.793 2.393 10.139 951 H SER 57 HN SER 57 -21.972 -0.732 10.861 952 HA SER 57 HA SER 57 -22.307 -3.061 9.412 953 1HB SER 57 HB2 SER 57 -24.795 -2.607 9.628 954 2HB SER 57 HB1 SER 57 -23.874 -2.524 11.128 955 HG SER 57 HG SER 57 -24.936 -0.657 11.172 956 CH2 TRP 58 CH2 TRP 58 -19.211 2.696 3.139 957 H TRP 58 HN TRP 58 -23.100 0.231 8.236 958 HA TRP 58 HA TRP 58 -24.438 -0.651 5.896 959 1HB TRP 58 HB2 TRP 58 -24.250 1.539 5.051 960 2HB TRP 58 HB1 TRP 58 -24.298 1.740 6.795 961 HD1 TRP 58 HD1 TRP 58 -22.425 3.081 7.849 962 HE1 TRP 58 HE1 TRP 58 -20.198 4.078 7.026 963 HE3 TRP 58 HE3 TRP 58 -22.130 0.921 3.211 964 HZ2 TRP 58 HZ2 TRP 58 -18.491 3.958 4.737 965 HZ3 TRP 58 HZ3 TRP 58 -20.187 1.376 1.737 966 HH2 TRP 58 HH2 TRP 58 -18.370 2.895 2.492 967 H VAL 59 HN VAL 59 -21.011 -0.389 6.599 968 HA VAL 59 HA VAL 59 -20.077 -0.719 3.904 969 HB VAL 59 HB VAL 59 -18.828 -1.576 6.535 970 1HG1 VAL 59 HG12 VAL 59 -17.778 -1.429 3.711 971 2HG1 VAL 59 HG11 VAL 59 -16.693 -1.250 5.087 972 3HG1 VAL 59 HG13 VAL 59 -17.619 -2.736 4.879 973 1HG2 VAL 59 HG22 VAL 59 -19.440 0.854 6.236 974 2HG2 VAL 59 HG21 VAL 59 -17.721 0.564 6.482 975 3HG2 VAL 59 HG23 VAL 59 -18.337 0.901 4.864 976 H GLN 60 HN GLN 60 -20.792 -3.015 6.508 977 HA GLN 60 HA GLN 60 -20.131 -5.365 5.011 978 1HB GLN 60 HB2 GLN 60 -20.762 -4.882 7.607 979 2HB GLN 60 HB1 GLN 60 -22.317 -5.499 7.062 980 1HG GLN 60 HG2 GLN 60 -21.329 -7.578 6.357 981 2HG GLN 60 HG1 GLN 60 -19.697 -6.954 6.601 982 1HE2 GLN 60 HE22 GLN 60 -21.123 -8.905 9.631 983 2HE2 GLN 60 HE21 GLN 60 -21.331 -9.225 7.977 984 H GLU 61 HN GLU 61 -23.146 -3.562 5.427 985 HA GLU 61 HA GLU 61 -24.843 -5.351 3.985 986 1HB GLU 61 HB2 GLU 61 -25.619 -3.452 5.442 987 2HB GLU 61 HB1 GLU 61 -25.121 -2.340 4.167 988 1HG GLU 61 HG2 GLU 61 -26.708 -3.247 2.623 989 2HG GLU 61 HG1 GLU 61 -27.045 -4.624 3.674 990 OH TYR 62 OH TYR 62 -25.686 3.148 0.770 991 H TYR 62 HN TYR 62 -23.064 -2.450 2.878 992 HA TYR 62 HA TYR 62 -23.939 -2.601 0.164 993 1HB TYR 62 HB2 TYR 62 -21.551 -1.359 1.520 994 2HB TYR 62 HB1 TYR 62 -21.639 -1.381 -0.240 995 HD1 TYR 62 HD1 TYR 62 -24.272 -0.864 2.432 996 HD2 TYR 62 HD2 TYR 62 -22.233 0.744 -1.010 997 HE1 TYR 62 HE1 TYR 62 -25.769 1.114 2.469 998 HE2 TYR 62 HE2 TYR 62 -23.736 2.722 -0.972 999 HH TYR 62 HH TYR 62 -26.018 3.287 -0.121 1000 H VAL 63 HN VAL 63 -21.263 -4.191 1.860 1001 HA VAL 63 HA VAL 63 -20.026 -5.277 -0.494 1002 HB VAL 63 HB VAL 63 -20.013 -6.102 2.417 1003 1HG1 VAL 63 HG11 VAL 63 -18.663 -7.385 0.033 1004 2HG1 VAL 63 HG13 VAL 63 -18.024 -7.554 1.669 1005 3HG1 VAL 63 HG12 VAL 63 -19.633 -8.163 1.282 1006 1HG2 VAL 63 HG21 VAL 63 -17.944 -4.878 0.565 1007 2HG2 VAL 63 HG23 VAL 63 -18.824 -4.031 1.836 1008 3HG2 VAL 63 HG22 VAL 63 -17.668 -5.295 2.256 1009 OH TYR 64 OH TYR 64 -26.897 -13.302 1.918 1010 H TYR 64 HN TYR 64 -22.510 -6.452 1.733 1011 HA TYR 64 HA TYR 64 -22.846 -9.023 0.576 1012 1HB TYR 64 HB2 TYR 64 -23.843 -8.028 2.760 1013 2HB TYR 64 HB1 TYR 64 -25.126 -7.407 1.729 1014 HD1 TYR 64 HD1 TYR 64 -23.273 -10.578 2.520 1015 HD2 TYR 64 HD2 TYR 64 -26.963 -8.788 1.192 1016 HE1 TYR 64 HE1 TYR 64 -24.371 -12.810 2.558 1017 HE2 TYR 64 HE2 TYR 64 -28.059 -11.022 1.231 1018 HH TYR 64 HH TYR 64 -27.848 -13.165 1.899 1019 H ASP 65 HN ASP 65 -24.369 -5.907 -0.140 1020 HA ASP 65 HA ASP 65 -26.176 -6.858 -2.140 1021 1HB ASP 65 HB2 ASP 65 -24.897 -4.177 -1.596 1022 2HB ASP 65 HB1 ASP 65 -25.968 -4.412 -2.973 1023 H LEU 66 HN LEU 66 -22.789 -5.909 -2.272 1024 HA LEU 66 HA LEU 66 -22.618 -5.943 -5.157 1025 1HB LEU 66 HB2 LEU 66 -20.629 -5.974 -2.896 1026 2HB LEU 66 HB1 LEU 66 -20.082 -6.213 -4.549 1027 HG LEU 66 HG LEU 66 -21.871 -3.873 -3.860 1028 1HD1 LEU 66 HD11 LEU 66 -19.860 -3.866 -2.332 1029 2HD1 LEU 66 HD13 LEU 66 -18.844 -3.810 -3.768 1030 3HD1 LEU 66 HD12 LEU 66 -19.947 -2.486 -3.418 1031 1HD2 LEU 66 HD21 LEU 66 -19.834 -4.480 -6.030 1032 2HD2 LEU 66 HD23 LEU 66 -21.565 -4.211 -6.226 1033 3HD2 LEU 66 HD22 LEU 66 -20.512 -2.875 -5.778 1034 H GLU 67 HN GLU 67 -22.343 -8.361 -2.641 1035 HA GLU 67 HA GLU 67 -21.129 -10.377 -4.348 1036 1HB GLU 67 HB2 GLU 67 -22.642 -10.605 -1.726 1037 2HB GLU 67 HB1 GLU 67 -21.836 -11.953 -2.522 1038 1HG GLU 67 HG2 GLU 67 -19.758 -10.239 -2.488 1039 2HG GLU 67 HG1 GLU 67 -20.645 -9.591 -1.112 1040 H LEU 68 HN LEU 68 -24.411 -9.361 -3.613 1041 HA LEU 68 HA LEU 68 -25.631 -11.708 -4.850 1042 1HB LEU 68 HB2 LEU 68 -26.874 -9.025 -4.218 1043 2HB LEU 68 HB1 LEU 68 -27.742 -10.507 -4.609 1044 HG LEU 68 HG LEU 68 -25.848 -10.288 -2.258 1045 1HD1 LEU 68 HD12 LEU 68 -28.825 -9.803 -2.442 1046 2HD1 LEU 68 HD11 LEU 68 -27.986 -10.102 -0.920 1047 3HD1 LEU 68 HD13 LEU 68 -27.589 -8.681 -1.880 1048 1HD2 LEU 68 HD22 LEU 68 -27.984 -12.272 -3.112 1049 2HD2 LEU 68 HD21 LEU 68 -26.270 -12.590 -2.855 1050 3HD2 LEU 68 HD23 LEU 68 -27.314 -12.241 -1.484 1051 H ASN 69 HN ASN 69 -26.330 -8.373 -5.802 1052 HA ASN 69 HA ASN 69 -26.327 -9.227 -8.627 1053 1HB ASN 69 HB2 ASN 69 -27.967 -7.551 -7.232 1054 2HB ASN 69 HB1 ASN 69 -26.857 -6.369 -7.921 1055 1HD2 ASN 69 HD22 ASN 69 -29.542 -8.282 -10.318 1056 2HD2 ASN 69 HD21 ASN 69 -29.400 -8.681 -8.673 1057 1H HOH 201 H1 H2O 201 5.619 1.732 5.969 1058 2H HOH 201 H2 H2O 201 6.984 2.218 6.404 1059 1H HOH 202 H1 H2O 202 3.545 5.790 5.770 1060 2H HOH 202 H2 H2O 202 4.240 6.374 6.981 1061 1H HOH 301 H1 H2O 301 -5.678 -1.580 6.017 1062 2H HOH 301 H2 H2O 301 -7.077 -2.030 6.374 1063 1H HOH 302 H1 H2O 302 -3.453 -5.352 6.752 1064 2H HOH 302 H2 H2O 302 -4.487 -6.419 6.469 No H/Q in entry = 1064
Contact the webmaster for help, if required. Friday, July 5, 2024 12:51:33 AM GMT (wattos1)