NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14195 | 1wh1 | 11201 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H1 GLY 1 H GLY 1 -9.156 23.085 8.227 2 HA2 GLY 1 1HA GLY 1 -10.031 20.643 6.810 3 HA3 GLY 1 2HA GLY 1 -8.844 20.707 8.098 4 H SER 2 H SER 2 -10.682 18.907 8.645 5 HA SER 2 HA SER 2 -12.349 20.253 10.601 6 HB2 SER 2 1HB SER 2 -13.292 18.809 8.254 7 HB3 SER 2 2HB SER 2 -13.824 17.986 9.707 8 HG SER 2 HG SER 2 -15.242 19.767 8.835 9 H SER 3 H SER 3 -11.246 19.543 12.429 10 HA SER 3 HA SER 3 -10.280 16.852 12.490 11 HB2 SER 3 1HB SER 3 -9.027 18.821 13.465 12 HB3 SER 3 2HB SER 3 -10.274 18.970 14.686 13 HG SER 3 HG SER 3 -9.552 16.398 14.744 14 H GLY 4 H GLY 4 -11.871 15.297 12.754 15 HA2 GLY 4 1HA GLY 4 -13.069 14.719 15.104 16 HA3 GLY 4 2HA GLY 4 -14.207 15.829 14.368 17 H SER 5 H SER 5 -12.724 12.622 14.211 18 HA SER 5 HA SER 5 -14.769 11.916 12.272 19 HB2 SER 5 1HB SER 5 -11.920 11.889 11.817 20 HB3 SER 5 2HB SER 5 -12.476 10.228 11.852 21 HG SER 5 HG SER 5 -14.210 10.963 10.309 22 H SER 6 H SER 6 -16.112 10.615 13.484 23 HA SER 6 HA SER 6 -14.830 8.402 14.841 24 HB2 SER 6 1HB SER 6 -16.262 8.693 16.838 25 HB3 SER 6 2HB SER 6 -15.221 10.083 16.599 26 HG SER 6 HG SER 6 -18.047 9.851 16.263 27 H GLY 7 H GLY 7 -15.619 7.144 13.015 28 HA2 GLY 7 1HA GLY 7 -17.340 5.473 12.774 29 HA3 GLY 7 2HA GLY 7 -18.541 6.703 13.112 30 H ASP 8 H ASP 8 -17.102 4.936 10.652 31 HA ASP 8 HA ASP 8 -17.633 7.068 8.734 32 HB2 ASP 8 1HB ASP 8 -15.264 5.960 8.930 33 HB3 ASP 8 2HB ASP 8 -16.003 4.560 8.179 34 H ILE 9 H ILE 9 -19.701 6.691 7.900 35 HA ILE 9 HA ILE 9 -20.771 4.031 7.865 36 HB ILE 9 HB ILE 9 -22.755 5.166 6.904 37 HG12 ILE 9 1HG1 ILE 9 -21.608 7.850 7.474 38 HG13 ILE 9 2HG1 ILE 9 -21.073 7.074 5.996 39 HG21 ILE 9 1HG2 ILE 9 -22.846 6.822 9.054 40 HG22 ILE 9 2HG2 ILE 9 -23.119 5.064 9.119 41 HG23 ILE 9 3HG2 ILE 9 -21.519 5.733 9.524 42 HD11 ILE 9 1HD1 ILE 9 -23.034 7.583 4.991 43 HD12 ILE 9 2HD1 ILE 9 -23.927 6.680 6.237 44 HD13 ILE 9 3HD1 ILE 9 -23.561 8.405 6.479 45 H HIS 10 H HIS 10 -19.044 3.086 6.492 46 HA HIS 10 HA HIS 10 -18.327 2.293 4.577 47 HB2 HIS 10 1HB HIS 10 -21.028 2.345 4.309 48 HB3 HIS 10 2HB HIS 10 -20.569 3.326 2.932 49 HD1 HIS 10 1HD HIS 10 -18.828 2.144 1.192 50 HD2 HIS 10 2HD HIS 10 -20.750 -0.374 3.941 51 HE1 HIS 10 1HE HIS 10 -18.575 -0.228 0.286 52 H GLN 11 H GLN 11 -16.752 2.983 3.172 53 HA GLN 11 HA GLN 11 -17.007 5.271 1.627 54 HB2 GLN 11 1HB GLN 11 -16.591 6.101 4.154 55 HB3 GLN 11 2HB GLN 11 -14.919 5.791 3.730 56 HG2 GLN 11 1HG GLN 11 -14.933 7.874 2.806 57 HG3 GLN 11 2HG GLN 11 -15.818 7.148 1.480 58 HE21 GLN 11 1HE2 GLN 11 -18.012 7.417 1.284 59 HE22 GLN 11 2HE2 GLN 11 -18.923 8.587 2.181 60 H GLU 12 H GLU 12 -16.316 3.472 0.218 61 HA GLU 12 HA GLU 12 -13.543 3.556 -0.190 62 HB2 GLU 12 1HB GLU 12 -14.538 1.422 1.520 63 HB3 GLU 12 2HB GLU 12 -13.883 0.738 0.046 64 HG2 GLU 12 1HG GLU 12 -11.723 1.607 0.432 65 HG3 GLU 12 2HG GLU 12 -12.310 2.896 1.465 66 H MET 13 H MET 13 -13.046 2.942 -2.330 67 HA MET 13 HA MET 13 -15.280 1.759 -3.786 68 HB2 MET 13 1HB MET 13 -13.650 4.247 -4.290 69 HB3 MET 13 2HB MET 13 -14.043 3.289 -5.703 70 HG2 MET 13 1HG MET 13 -16.500 3.321 -4.845 71 HG3 MET 13 2HG MET 13 -15.981 4.571 -3.732 72 HE1 MET 13 1HE MET 13 -18.245 5.074 -5.648 73 HE2 MET 13 2HE MET 13 -17.881 5.799 -7.233 74 HE3 MET 13 3HE MET 13 -17.656 4.051 -6.980 75 H ASP 14 H ASP 14 -14.337 -0.347 -3.736 76 HA ASP 14 HA ASP 14 -11.942 -0.516 -5.384 77 HB2 ASP 14 1HB ASP 14 -12.240 -1.305 -2.643 78 HB3 ASP 14 2HB ASP 14 -12.180 -2.785 -3.579 79 H ARG 15 H ARG 15 -11.746 -3.079 -6.051 80 HA ARG 15 HA ARG 15 -14.013 -3.600 -7.549 81 HB2 ARG 15 1HB ARG 15 -11.526 -5.195 -6.839 82 HB3 ARG 15 2HB ARG 15 -12.803 -5.951 -7.771 83 HG2 ARG 15 1HG ARG 15 -12.174 -3.282 -8.822 84 HG3 ARG 15 2HG ARG 15 -10.740 -4.287 -8.762 85 HD2 ARG 15 1HD ARG 15 -12.230 -6.136 -9.877 86 HD3 ARG 15 2HD ARG 15 -13.346 -4.833 -10.234 87 HE ARG 15 HE ARG 15 -10.677 -4.083 -11.033 88 HH11 ARG 15 2HH2 ARG 15 -13.371 -6.135 -11.989 89 HH12 ARG 15 1HH2 ARG 15 -12.954 -6.117 -13.670 90 HH21 ARG 15 2HH1 ARG 15 -10.126 -4.060 -13.251 91 HH22 ARG 15 1HH1 ARG 15 -11.096 -4.929 -14.393 92 H GLU 16 H GLU 16 -15.564 -5.393 -7.391 93 HA GLU 16 HA GLU 16 -16.323 -5.858 -4.704 94 HB2 GLU 16 1HB GLU 16 -18.192 -7.182 -5.788 95 HB3 GLU 16 2HB GLU 16 -18.070 -5.520 -6.329 96 HG2 GLU 16 1HG GLU 16 -16.357 -7.072 -8.032 97 HG3 GLU 16 2HG GLU 16 -17.867 -7.952 -7.896 98 H GLU 17 H GLU 17 -13.864 -6.892 -4.672 99 HA GLU 17 HA GLU 17 -14.249 -9.505 -3.934 100 HB2 GLU 17 1HB GLU 17 -13.224 -10.821 -5.669 101 HB3 GLU 17 2HB GLU 17 -14.467 -9.852 -6.437 102 HG2 GLU 17 1HG GLU 17 -12.308 -8.148 -6.633 103 HG3 GLU 17 2HG GLU 17 -11.499 -9.700 -6.717 104 H LEU 18 H LEU 18 -12.120 -6.918 -5.136 105 HA LEU 18 HA LEU 18 -9.739 -7.992 -4.038 106 HB2 LEU 18 1HB LEU 18 -10.566 -5.287 -5.065 107 HB3 LEU 18 2HB LEU 18 -8.989 -5.558 -4.351 108 HG LEU 18 HG LEU 18 -10.073 -7.052 -6.754 109 HD11 LEU 18 1HD1 LEU 18 -9.674 -4.590 -7.106 110 HD12 LEU 18 2HD1 LEU 18 -7.957 -4.892 -6.746 111 HD13 LEU 18 3HD1 LEU 18 -8.725 -5.678 -8.146 112 HD21 LEU 18 1HD2 LEU 18 -7.476 -7.173 -5.246 113 HD22 LEU 18 2HD2 LEU 18 -8.517 -8.496 -5.825 114 HD23 LEU 18 3HD2 LEU 18 -7.538 -7.562 -6.982 115 H GLU 19 H GLU 19 -8.471 -6.656 -2.314 116 HA GLU 19 HA GLU 19 -10.339 -5.785 -0.261 117 HB2 GLU 19 1HB GLU 19 -8.640 -8.148 -0.196 118 HB3 GLU 19 2HB GLU 19 -8.160 -7.040 1.074 119 HG2 GLU 19 1HG GLU 19 -10.928 -6.935 1.265 120 HG3 GLU 19 2HG GLU 19 -10.675 -8.598 0.775 121 H LEU 20 H LEU 20 -9.264 -4.415 1.454 122 HA LEU 20 HA LEU 20 -6.976 -3.001 0.271 123 HB2 LEU 20 1HB LEU 20 -9.235 -1.972 1.992 124 HB3 LEU 20 2HB LEU 20 -7.816 -1.039 1.557 125 HG LEU 20 HG LEU 20 -9.748 -2.207 -0.463 126 HD11 LEU 20 1HD1 LEU 20 -9.844 0.306 1.116 127 HD12 LEU 20 2HD1 LEU 20 -10.220 0.430 -0.619 128 HD13 LEU 20 3HD1 LEU 20 -11.158 -0.672 0.418 129 HD21 LEU 20 1HD2 LEU 20 -8.027 0.116 -1.115 130 HD22 LEU 20 2HD2 LEU 20 -7.202 -1.449 -0.917 131 HD23 LEU 20 3HD2 LEU 20 -8.513 -1.279 -2.108 132 H GLU 21 H GLU 21 -5.676 -1.783 2.085 133 HA GLU 21 HA GLU 21 -5.673 -3.198 4.568 134 HB2 GLU 21 1HB GLU 21 -4.291 -4.629 2.985 135 HB3 GLU 21 2HB GLU 21 -3.176 -3.288 2.821 136 HG2 GLU 21 1HG GLU 21 -2.415 -3.458 5.040 137 HG3 GLU 21 2HG GLU 21 -3.898 -4.200 5.607 138 H GLU 22 H GLU 22 -5.660 -1.479 5.954 139 HA GLU 22 HA GLU 22 -4.490 0.971 5.144 140 HB2 GLU 22 1HB GLU 22 -6.530 0.328 6.825 141 HB3 GLU 22 2HB GLU 22 -5.252 0.530 8.007 142 HG2 GLU 22 1HG GLU 22 -4.801 2.750 6.473 143 HG3 GLU 22 2HG GLU 22 -6.525 2.567 6.215 144 H VAL 23 H VAL 23 -2.320 1.352 5.198 145 HA VAL 23 HA VAL 23 -0.797 0.015 7.326 146 HB VAL 23 HB VAL 23 -0.002 0.915 4.552 147 HG11 VAL 23 1HG1 VAL 23 1.616 0.435 6.947 148 HG12 VAL 23 2HG1 VAL 23 2.097 -0.581 5.567 149 HG13 VAL 23 3HG1 VAL 23 2.058 1.190 5.397 150 HG21 VAL 23 1HG2 VAL 23 0.578 -1.840 5.197 151 HG22 VAL 23 2HG2 VAL 23 -1.143 -1.492 5.492 152 HG23 VAL 23 3HG2 VAL 23 -0.432 -1.172 3.892 153 H ASP 24 H ASP 24 -0.115 1.318 8.938 154 HA ASP 24 HA ASP 24 -0.225 4.155 8.454 155 HB2 ASP 24 1HB ASP 24 0.603 2.892 11.077 156 HB3 ASP 24 2HB ASP 24 -0.244 4.403 10.813 157 H LEU 25 H LEU 25 1.663 5.547 8.873 158 HA LEU 25 HA LEU 25 4.195 4.093 9.133 159 HB2 LEU 25 1HB LEU 25 3.789 6.410 7.249 160 HB3 LEU 25 2HB LEU 25 5.202 5.386 7.414 161 HG LEU 25 HG LEU 25 2.518 4.356 6.468 162 HD11 LEU 25 1HD1 LEU 25 3.123 5.996 4.865 163 HD12 LEU 25 2HD1 LEU 25 4.826 5.478 4.868 164 HD13 LEU 25 3HD1 LEU 25 3.575 4.418 4.176 165 HD21 LEU 25 1HD2 LEU 25 3.571 2.371 5.925 166 HD22 LEU 25 2HD2 LEU 25 5.188 3.113 5.883 167 HD23 LEU 25 3HD2 LEU 25 4.383 2.822 7.443 168 H TYR 26 H TYR 26 6.016 5.966 9.451 169 HA TYR 26 HA TYR 26 4.942 8.065 11.161 170 HB2 TYR 26 1HB TYR 26 6.008 5.540 12.046 171 HB3 TYR 26 2HB TYR 26 7.310 6.688 12.284 172 HD1 TYR 26 2HD TYR 26 3.777 5.948 13.172 173 HD2 TYR 26 1HD TYR 26 7.263 8.256 14.080 174 HE1 TYR 26 2HE TYR 26 2.710 6.719 15.347 175 HE2 TYR 26 1HE TYR 26 6.184 9.019 16.252 176 HH TYR 26 HH TYR 26 2.905 7.943 17.110 177 H ARG 27 H ARG 27 6.273 9.899 11.279 178 HA ARG 27 HA ARG 27 8.727 9.660 9.730 179 HB2 ARG 27 1HB ARG 27 6.498 11.105 8.952 180 HB3 ARG 27 2HB ARG 27 7.400 12.337 9.812 181 HG2 ARG 27 1HG ARG 27 9.438 11.742 8.421 182 HG3 ARG 27 2HG ARG 27 8.444 10.625 7.507 183 HD2 ARG 27 1HD ARG 27 8.733 12.956 6.470 184 HD3 ARG 27 2HD ARG 27 7.080 12.392 6.610 185 HE ARG 27 HE ARG 27 8.027 13.948 8.923 186 HH11 ARG 27 2HH2 ARG 27 6.417 14.052 5.796 187 HH12 ARG 27 1HH2 ARG 27 5.625 15.560 6.111 188 HH21 ARG 27 2HH1 ARG 27 6.982 15.937 9.339 189 HH22 ARG 27 1HH1 ARG 27 5.949 16.640 8.139 190 H MET 28 H MET 28 9.577 9.239 12.027 191 HA MET 28 HA MET 28 9.384 10.985 14.078 192 HB2 MET 28 1HB MET 28 11.521 9.088 13.070 193 HB3 MET 28 2HB MET 28 11.945 10.140 14.405 194 HG2 MET 28 1HG MET 28 9.323 8.994 14.915 195 HG3 MET 28 2HG MET 28 10.434 7.703 14.502 196 HE1 MET 28 1HE MET 28 8.952 9.785 16.820 197 HE2 MET 28 2HE MET 28 9.216 8.352 17.843 198 HE3 MET 28 3HE MET 28 9.963 9.908 18.280 199 H ASN 29 H ASN 29 10.973 11.466 11.004 200 HA ASN 29 HA ASN 29 11.731 14.088 11.885 201 HB2 ASN 29 1HB ASN 29 13.695 11.939 11.088 202 HB3 ASN 29 2HB ASN 29 14.007 13.555 10.487 203 HD21 ASN 29 1HD2 ASN 29 15.545 12.015 12.359 204 HD22 ASN 29 2HD2 ASN 29 15.630 12.897 13.848 205 H SER 30 H SER 30 11.002 15.445 10.239 206 HA SER 30 HA SER 30 9.788 14.621 8.008 207 HB2 SER 30 1HB SER 30 9.671 16.928 8.794 208 HB3 SER 30 2HB SER 30 11.374 17.182 8.467 209 HG SER 30 HG SER 30 9.278 17.541 6.791 210 H GLN 31 H GLN 31 13.258 14.806 8.622 211 HA GLN 31 HA GLN 31 14.184 15.002 6.043 212 HB2 GLN 31 1HB GLN 31 15.367 14.903 8.456 213 HB3 GLN 31 2HB GLN 31 15.624 13.230 8.004 214 HG2 GLN 31 1HG GLN 31 16.536 14.157 5.746 215 HG3 GLN 31 2HG GLN 31 16.575 15.721 6.536 216 HE21 GLN 31 1HE2 GLN 31 18.014 12.625 6.210 217 HE22 GLN 31 2HE2 GLN 31 19.361 12.833 7.279 218 H ASP 32 H ASP 32 12.370 12.482 7.548 219 HA ASP 32 HA ASP 32 13.470 10.398 5.940 220 HB2 ASP 32 1HB ASP 32 10.917 10.473 7.618 221 HB3 ASP 32 2HB ASP 32 11.647 9.026 6.951 222 H LYS 33 H LYS 33 12.511 9.568 4.010 223 HA LYS 33 HA LYS 33 10.141 11.035 3.079 224 HB2 LYS 33 1HB LYS 33 11.025 10.628 0.784 225 HB3 LYS 33 2HB LYS 33 12.025 11.686 1.759 226 HG2 LYS 33 1HG LYS 33 13.798 10.288 1.556 227 HG3 LYS 33 2HG LYS 33 12.873 8.950 2.208 228 HD2 LYS 33 1HD LYS 33 12.428 8.071 0.134 229 HD3 LYS 33 2HD LYS 33 12.140 9.643 -0.584 230 HE2 LYS 33 1HE LYS 33 14.826 9.853 -0.174 231 HE3 LYS 33 2HE LYS 33 14.710 8.111 -0.330 232 HZ1 LYS 33 1HZ LYS 33 14.519 10.056 -2.332 233 HZ2 LYS 33 2HZ LYS 33 14.604 8.433 -2.490 234 HZ3 LYS 33 3HZ LYS 33 13.152 9.162 -2.324 235 H LEU 34 H LEU 34 8.471 9.847 2.056 236 HA LEU 34 HA LEU 34 7.944 7.367 3.114 237 HB2 LEU 34 1HB LEU 34 6.904 8.796 0.675 238 HB3 LEU 34 2HB LEU 34 6.280 7.239 1.182 239 HG LEU 34 HG LEU 34 4.988 9.313 1.898 240 HD11 LEU 34 1HD1 LEU 34 5.062 6.873 2.946 241 HD12 LEU 34 2HD1 LEU 34 5.686 7.768 4.352 242 HD13 LEU 34 3HD1 LEU 34 4.098 8.184 3.665 243 HD21 LEU 34 1HD2 LEU 34 7.316 9.568 3.820 244 HD22 LEU 34 2HD2 LEU 34 6.835 10.729 2.560 245 HD23 LEU 34 3HD2 LEU 34 5.768 10.437 3.954 246 H GLY 35 H GLY 35 9.623 8.276 0.073 247 HA2 GLY 35 1HA GLY 35 11.012 7.074 -1.231 248 HA3 GLY 35 2HA GLY 35 11.047 5.827 -0.001 249 H LEU 36 H LEU 36 8.055 7.055 -1.562 250 HA LEU 36 HA LEU 36 7.910 4.580 -3.112 251 HB2 LEU 36 1HB LEU 36 5.434 4.544 -2.432 252 HB3 LEU 36 2HB LEU 36 6.638 3.887 -1.341 253 HG LEU 36 HG LEU 36 6.387 6.577 -0.581 254 HD11 LEU 36 1HD1 LEU 36 4.401 7.203 -1.442 255 HD12 LEU 36 2HD1 LEU 36 3.845 5.529 -1.675 256 HD13 LEU 36 3HD1 LEU 36 3.749 6.283 -0.065 257 HD21 LEU 36 1HD2 LEU 36 5.445 3.954 0.559 258 HD22 LEU 36 2HD2 LEU 36 6.811 4.980 1.061 259 HD23 LEU 36 3HD2 LEU 36 5.140 5.493 1.399 260 H THR 37 H THR 37 7.858 5.245 -5.189 261 HA THR 37 HA THR 37 6.729 7.847 -5.801 262 HB THR 37 HB THR 37 8.553 5.827 -7.055 263 HG1 THR 37 1HG THR 37 9.381 7.803 -6.232 264 HG21 THR 37 1HG2 THR 37 6.613 6.175 -8.747 265 HG22 THR 37 2HG2 THR 37 7.088 7.890 -8.766 266 HG23 THR 37 3HG2 THR 37 8.236 6.643 -9.307 267 H VAL 38 H VAL 38 5.111 8.185 -7.462 268 HA VAL 38 HA VAL 38 3.323 5.867 -7.712 269 HB VAL 38 HB VAL 38 2.094 7.072 -6.249 270 HG11 VAL 38 1HG1 VAL 38 3.323 9.625 -7.342 271 HG12 VAL 38 2HG1 VAL 38 2.150 9.538 -6.007 272 HG13 VAL 38 3HG1 VAL 38 3.758 8.798 -5.828 273 HG21 VAL 38 1HG2 VAL 38 1.487 8.457 -8.881 274 HG22 VAL 38 2HG2 VAL 38 0.727 6.982 -8.236 275 HG23 VAL 38 3HG2 VAL 38 0.458 8.547 -7.431 276 H CYS 39 H CYS 39 1.798 6.097 -9.628 277 HA CYS 39 HA CYS 39 2.679 7.908 -11.670 278 HB2 CYS 39 1HB CYS 39 4.278 5.900 -11.753 279 HB3 CYS 39 2HB CYS 39 2.904 4.954 -12.292 280 HG CYS 39 HG CYS 39 3.387 5.437 -14.568 281 H TYR 40 H TYR 40 1.191 7.642 -13.646 282 HA TYR 40 HA TYR 40 -1.447 6.824 -12.683 283 HB2 TYR 40 1HB TYR 40 -0.204 8.941 -14.306 284 HB3 TYR 40 2HB TYR 40 -1.410 8.120 -15.276 285 HD1 TYR 40 2HD TYR 40 -1.363 8.980 -11.622 286 HD2 TYR 40 1HD TYR 40 -3.270 9.510 -15.415 287 HE1 TYR 40 2HE TYR 40 -3.194 10.354 -10.517 288 HE2 TYR 40 1HE TYR 40 -5.096 10.882 -14.297 289 HH TYR 40 HH TYR 40 -5.939 10.805 -11.486 290 H ARG 41 H ARG 41 -2.960 5.987 -14.508 291 HA ARG 41 HA ARG 41 -1.464 4.345 -16.359 292 HB2 ARG 41 1HB ARG 41 -3.516 3.355 -14.331 293 HB3 ARG 41 2HB ARG 41 -3.155 2.441 -15.782 294 HG2 ARG 41 1HG ARG 41 -0.614 3.086 -14.742 295 HG3 ARG 41 2HG ARG 41 -1.571 2.726 -13.319 296 HD2 ARG 41 1HD ARG 41 -2.356 0.590 -14.582 297 HD3 ARG 41 2HD ARG 41 -1.069 0.922 -15.724 298 HE ARG 41 HE ARG 41 0.106 1.055 -13.157 299 HH11 ARG 41 2HH2 ARG 41 -1.505 -1.354 -15.152 300 HH12 ARG 41 1HH2 ARG 41 -0.649 -2.690 -14.456 301 HH21 ARG 41 2HH1 ARG 41 1.236 -0.706 -12.237 302 HH22 ARG 41 1HH1 ARG 41 0.921 -2.318 -12.786 303 H THR 42 H THR 42 -4.677 5.507 -15.161 304 HA THR 42 HA THR 42 -6.558 6.056 -16.215 305 HB THR 42 HB THR 42 -4.669 6.657 -18.551 306 HG1 THR 42 1HG THR 42 -3.874 7.922 -16.895 307 HG21 THR 42 1HG2 THR 42 -6.619 7.455 -19.474 308 HG22 THR 42 2HG2 THR 42 -7.508 7.268 -17.943 309 HG23 THR 42 3HG2 THR 42 -6.525 8.724 -18.230 310 H ASP 43 H ASP 43 -5.960 5.555 -19.489 311 HA ASP 43 HA ASP 43 -6.751 4.126 -20.917 312 HB2 ASP 43 1HB ASP 43 -5.577 2.312 -18.808 313 HB3 ASP 43 2HB ASP 43 -6.502 1.574 -20.101 314 H ASP 44 H ASP 44 -8.502 5.120 -18.605 315 HA ASP 44 HA ASP 44 -10.694 3.380 -19.159 316 HB2 ASP 44 1HB ASP 44 -9.524 2.400 -17.107 317 HB3 ASP 44 2HB ASP 44 -9.877 3.894 -16.262 318 H GLU 45 H GLU 45 -12.542 4.700 -19.294 319 HA GLU 45 HA GLU 45 -12.178 7.449 -18.551 320 HB2 GLU 45 1HB GLU 45 -14.266 5.933 -20.149 321 HB3 GLU 45 2HB GLU 45 -14.541 7.595 -19.665 322 HG2 GLU 45 1HG GLU 45 -12.490 8.325 -20.824 323 HG3 GLU 45 2HG GLU 45 -12.070 6.665 -21.201 324 H ASP 46 H ASP 46 -13.394 4.586 -17.131 325 HA ASP 46 HA ASP 46 -15.606 5.678 -15.798 326 HB2 ASP 46 1HB ASP 46 -14.015 3.173 -15.764 327 HB3 ASP 46 2HB ASP 46 -14.688 3.582 -14.198 328 H ASP 47 H ASP 47 -12.151 4.964 -14.920 329 HA ASP 47 HA ASP 47 -11.903 7.200 -13.330 330 HB2 ASP 47 1HB ASP 47 -13.454 5.773 -11.856 331 HB3 ASP 47 2HB ASP 47 -12.136 4.627 -11.706 332 H ILE 48 H ILE 48 -9.659 7.527 -13.276 333 HA ILE 48 HA ILE 48 -7.935 5.647 -14.397 334 HB ILE 48 HB ILE 48 -7.309 8.044 -12.668 335 HG12 ILE 48 1HG1 ILE 48 -6.937 8.471 -15.486 336 HG13 ILE 48 2HG1 ILE 48 -8.570 7.896 -15.212 337 HG21 ILE 48 1HG2 ILE 48 -5.423 7.300 -14.783 338 HG22 ILE 48 2HG2 ILE 48 -5.134 7.758 -13.087 339 HG23 ILE 48 3HG2 ILE 48 -5.570 6.081 -13.494 340 HD11 ILE 48 1HD1 ILE 48 -7.255 10.216 -13.723 341 HD12 ILE 48 2HD1 ILE 48 -8.446 10.369 -15.037 342 HD13 ILE 48 3HD1 ILE 48 -8.923 9.643 -13.484 343 H GLY 49 H GLY 49 -6.407 6.763 -11.552 344 HA2 GLY 49 1HA GLY 49 -6.853 5.428 -9.409 345 HA3 GLY 49 2HA GLY 49 -6.529 4.041 -10.429 346 H ILE 50 H ILE 50 -5.120 5.997 -8.181 347 HA ILE 50 HA ILE 50 -2.570 6.342 -9.483 348 HB ILE 50 HB ILE 50 -3.788 7.086 -6.862 349 HG12 ILE 50 1HG1 ILE 50 -2.746 9.308 -7.571 350 HG13 ILE 50 2HG1 ILE 50 -2.397 8.551 -9.113 351 HG21 ILE 50 1HG2 ILE 50 -1.253 8.031 -6.567 352 HG22 ILE 50 2HG2 ILE 50 -1.886 6.560 -5.789 353 HG23 ILE 50 3HG2 ILE 50 -0.944 6.436 -7.294 354 HD11 ILE 50 1HD1 ILE 50 -5.198 8.362 -7.986 355 HD12 ILE 50 2HD1 ILE 50 -4.667 9.862 -8.783 356 HD13 ILE 50 3HD1 ILE 50 -4.665 8.328 -9.684 357 H TYR 51 H TYR 51 -0.819 5.002 -9.345 358 HA TYR 51 HA TYR 51 -1.019 2.785 -7.428 359 HB2 TYR 51 1HB TYR 51 -0.069 2.794 -10.362 360 HB3 TYR 51 2HB TYR 51 -0.088 1.379 -9.327 361 HD1 TYR 51 1HD TYR 51 -2.144 3.694 -11.310 362 HD2 TYR 51 2HD TYR 51 -2.184 0.229 -8.800 363 HE1 TYR 51 1HE TYR 51 -4.506 3.155 -12.079 364 HE2 TYR 51 2HE TYR 51 -4.547 -0.298 -9.578 365 HH TYR 51 HH TYR 51 -6.512 1.814 -10.924 366 H ILE 52 H ILE 52 1.120 1.743 -6.979 367 HA ILE 52 HA ILE 52 3.104 3.808 -6.699 368 HB ILE 52 HB ILE 52 3.151 0.911 -5.845 369 HG12 ILE 52 1HG1 ILE 52 1.288 2.626 -4.994 370 HG13 ILE 52 2HG1 ILE 52 2.008 1.413 -3.955 371 HG21 ILE 52 1HG2 ILE 52 5.341 1.483 -5.625 372 HG22 ILE 52 2HG2 ILE 52 4.994 3.221 -5.466 373 HG23 ILE 52 3HG2 ILE 52 4.734 2.131 -4.083 374 HD11 ILE 52 1HD1 ILE 52 1.910 3.921 -3.146 375 HD12 ILE 52 2HD1 ILE 52 3.383 2.967 -2.845 376 HD13 ILE 52 3HD1 ILE 52 3.332 4.124 -4.197 377 H SER 53 H SER 53 4.695 4.224 -8.129 378 HA SER 53 HA SER 53 5.026 2.371 -10.292 379 HB2 SER 53 1HB SER 53 5.399 4.294 -11.410 380 HB3 SER 53 2HB SER 53 5.324 5.198 -9.911 381 HG SER 53 HG SER 53 7.623 4.685 -9.592 382 H GLU 54 H GLU 54 6.947 3.827 -7.595 383 HA GLU 54 HA GLU 54 8.721 1.549 -7.818 384 HB2 GLU 54 1HB GLU 54 9.522 4.459 -7.990 385 HB3 GLU 54 2HB GLU 54 10.623 3.313 -7.254 386 HG2 GLU 54 1HG GLU 54 10.135 1.869 -9.435 387 HG3 GLU 54 2HG GLU 54 9.613 3.401 -10.108 388 H ILE 55 H ILE 55 9.833 1.029 -5.791 389 HA ILE 55 HA ILE 55 8.961 2.572 -3.481 390 HB ILE 55 HB ILE 55 7.428 0.525 -4.145 391 HG12 ILE 55 1HG1 ILE 55 7.196 2.059 -2.198 392 HG13 ILE 55 2HG1 ILE 55 6.702 0.411 -1.869 393 HG21 ILE 55 1HG2 ILE 55 8.036 -1.546 -3.125 394 HG22 ILE 55 2HG2 ILE 55 9.378 -1.050 -4.185 395 HG23 ILE 55 3HG2 ILE 55 9.510 -0.838 -2.423 396 HD11 ILE 55 1HD1 ILE 55 8.539 -0.025 -0.489 397 HD12 ILE 55 2HD1 ILE 55 9.562 1.188 -1.295 398 HD13 ILE 55 3HD1 ILE 55 8.284 1.707 -0.170 399 H ASP 56 H ASP 56 10.827 3.152 -2.516 400 HA ASP 56 HA ASP 56 13.212 1.816 -3.052 401 HB2 ASP 56 1HB ASP 56 12.275 4.088 -1.407 402 HB3 ASP 56 2HB ASP 56 13.614 3.236 -0.664 403 HA PRO 57 HA PRO 57 12.928 -1.242 0.092 404 HB2 PRO 57 1HB PRO 57 15.518 -2.113 0.142 405 HB3 PRO 57 2HB PRO 57 14.348 -2.654 -1.045 406 HG2 PRO 57 1HG PRO 57 16.584 -0.749 -1.381 407 HG3 PRO 57 2HG PRO 57 15.686 -1.617 -2.611 408 HD2 PRO 57 1HD PRO 57 15.398 1.149 -1.907 409 HD3 PRO 57 2HD PRO 57 14.423 0.252 -3.054 410 H ASN 58 H ASN 58 14.956 1.486 0.361 411 HA ASN 58 HA ASN 58 15.034 0.982 3.233 412 HB2 ASN 58 1HB ASN 58 17.076 1.965 1.308 413 HB3 ASN 58 2HB ASN 58 16.931 2.983 2.727 414 HD21 ASN 58 1HD2 ASN 58 18.430 0.356 1.438 415 HD22 ASN 58 2HD2 ASN 58 18.951 -0.472 2.867 416 H SER 59 H SER 59 12.795 2.019 3.172 417 HA SER 59 HA SER 59 13.095 4.865 3.422 418 HB2 SER 59 1HB SER 59 11.301 5.451 1.917 419 HB3 SER 59 2HB SER 59 12.427 4.452 1.020 420 HG SER 59 HG SER 59 9.772 3.919 1.808 421 H ILE 60 H ILE 60 11.044 5.842 4.442 422 HA ILE 60 HA ILE 60 10.369 4.665 6.741 423 HB ILE 60 HB ILE 60 8.573 6.360 5.002 424 HG12 ILE 60 1HG1 ILE 60 10.853 6.994 6.856 425 HG13 ILE 60 2HG1 ILE 60 10.534 7.597 5.242 426 HG21 ILE 60 1HG2 ILE 60 8.453 6.350 7.992 427 HG22 ILE 60 2HG2 ILE 60 7.201 6.759 6.795 428 HG23 ILE 60 3HG2 ILE 60 7.632 5.056 7.086 429 HD11 ILE 60 1HD1 ILE 60 9.489 8.546 7.856 430 HD12 ILE 60 2HD1 ILE 60 9.735 9.440 6.337 431 HD13 ILE 60 3HD1 ILE 60 8.270 8.454 6.562 432 H ALA 61 H ALA 61 8.493 4.308 3.652 433 HA ALA 61 HA ALA 61 6.660 2.480 4.712 434 HB1 ALA 61 1HB ALA 61 6.230 1.991 2.284 435 HB2 ALA 61 2HB ALA 61 6.221 3.728 2.676 436 HB3 ALA 61 3HB ALA 61 7.637 3.003 1.877 437 H ALA 62 H ALA 62 9.488 1.879 2.497 438 HA ALA 62 HA ALA 62 9.490 -0.798 2.447 439 HB1 ALA 62 1HB ALA 62 12.192 0.175 2.943 440 HB2 ALA 62 2HB ALA 62 11.464 -0.424 1.433 441 HB3 ALA 62 3HB ALA 62 11.293 1.289 1.886 442 H LYS 63 H LYS 63 10.846 1.261 5.103 443 HA LYS 63 HA LYS 63 11.782 -0.857 6.650 444 HB2 LYS 63 1HB LYS 63 10.835 1.893 7.511 445 HB3 LYS 63 2HB LYS 63 11.797 0.797 8.481 446 HG2 LYS 63 1HG LYS 63 13.235 0.886 6.092 447 HG3 LYS 63 2HG LYS 63 12.618 2.522 6.214 448 HD2 LYS 63 1HD LYS 63 13.463 2.465 8.683 449 HD3 LYS 63 2HD LYS 63 14.353 1.028 8.219 450 HE2 LYS 63 1HE LYS 63 15.815 2.200 6.832 451 HE3 LYS 63 2HE LYS 63 14.622 3.411 6.408 452 HZ1 LYS 63 1HZ LYS 63 15.675 4.655 7.883 453 HZ2 LYS 63 2HZ LYS 63 14.963 3.766 9.053 454 HZ3 LYS 63 3HZ LYS 63 16.475 3.401 8.557 455 H ASP 64 H ASP 64 8.634 0.947 6.766 456 HA ASP 64 HA ASP 64 7.623 -1.325 8.288 457 HB2 ASP 64 1HB ASP 64 7.491 1.505 8.763 458 HB3 ASP 64 2HB ASP 64 5.866 0.987 8.363 459 H GLY 65 H GLY 65 6.155 1.453 6.442 460 HA2 GLY 65 1HA GLY 65 3.920 0.472 5.459 461 HA3 GLY 65 2HA GLY 65 5.000 1.429 4.465 462 H ARG 66 H ARG 66 3.732 -1.787 5.144 463 HA ARG 66 HA ARG 66 5.529 -3.335 3.814 464 HB2 ARG 66 1HB ARG 66 2.540 -3.520 4.283 465 HB3 ARG 66 2HB ARG 66 3.306 -4.719 3.261 466 HG2 ARG 66 1HG ARG 66 4.120 -5.815 5.070 467 HG3 ARG 66 2HG ARG 66 4.936 -4.368 5.628 468 HD2 ARG 66 1HD ARG 66 1.952 -4.797 6.081 469 HD3 ARG 66 2HD ARG 66 3.151 -5.403 7.206 470 HE ARG 66 HE ARG 66 3.924 -2.794 6.971 471 HH11 ARG 66 2HH2 ARG 66 0.765 -4.244 7.522 472 HH12 ARG 66 1HH2 ARG 66 0.160 -2.894 8.422 473 HH21 ARG 66 2HH1 ARG 66 3.126 -1.012 8.158 474 HH22 ARG 66 1HH1 ARG 66 1.512 -1.043 8.787 475 H ILE 67 H ILE 67 3.480 -0.840 2.580 476 HA ILE 67 HA ILE 67 2.579 -1.553 0.186 477 HB ILE 67 HB ILE 67 4.113 0.931 0.940 478 HG12 ILE 67 1HG1 ILE 67 1.128 0.518 0.654 479 HG13 ILE 67 2HG1 ILE 67 1.980 0.309 2.171 480 HG21 ILE 67 1HG2 ILE 67 2.673 1.857 -1.056 481 HG22 ILE 67 2HG2 ILE 67 4.262 1.109 -1.343 482 HG23 ILE 67 3HG2 ILE 67 2.775 0.175 -1.630 483 HD11 ILE 67 1HD1 ILE 67 1.052 2.594 2.001 484 HD12 ILE 67 2HD1 ILE 67 2.830 2.648 2.029 485 HD13 ILE 67 3HD1 ILE 67 1.957 2.860 0.492 486 H ARG 68 H ARG 68 3.388 -1.626 -2.019 487 HA ARG 68 HA ARG 68 6.244 -1.867 -2.243 488 HB2 ARG 68 1HB ARG 68 4.284 -4.139 -2.586 489 HB3 ARG 68 2HB ARG 68 5.638 -4.067 -3.696 490 HG2 ARG 68 1HG ARG 68 7.199 -4.542 -2.056 491 HG3 ARG 68 2HG ARG 68 6.333 -3.654 -0.818 492 HD2 ARG 68 1HD ARG 68 4.905 -5.466 -0.315 493 HD3 ARG 68 2HD ARG 68 5.098 -6.197 -1.896 494 HE ARG 68 HE ARG 68 7.661 -6.248 -0.748 495 HH11 ARG 68 2HH2 ARG 68 4.486 -7.537 0.054 496 HH12 ARG 68 1HH2 ARG 68 5.117 -8.909 0.903 497 HH21 ARG 68 2HH1 ARG 68 8.493 -8.057 0.371 498 HH22 ARG 68 1HH1 ARG 68 7.412 -9.206 1.085 499 H GLU 69 H GLU 69 6.498 -2.758 -4.850 500 HA GLU 69 HA GLU 69 5.382 -0.561 -6.263 501 HB2 GLU 69 1HB GLU 69 7.073 -2.895 -7.264 502 HB3 GLU 69 2HB GLU 69 6.729 -1.432 -8.166 503 HG2 GLU 69 1HG GLU 69 8.225 -0.166 -6.956 504 HG3 GLU 69 2HG GLU 69 7.835 -0.957 -5.441 505 H GLY 70 H GLY 70 3.456 -0.542 -7.340 506 HA2 GLY 70 1HA GLY 70 2.001 -1.471 -8.944 507 HA3 GLY 70 2HA GLY 70 2.450 -3.084 -8.428 508 H ASP 71 H ASP 71 1.781 -0.437 -6.118 509 HA ASP 71 HA ASP 71 -0.500 -1.999 -5.229 510 HB2 ASP 71 1HB ASP 71 1.633 -0.532 -3.906 511 HB3 ASP 71 2HB ASP 71 0.094 0.150 -3.422 512 H ARG 72 H ARG 72 -2.569 -1.114 -5.499 513 HA ARG 72 HA ARG 72 -2.700 1.468 -6.715 514 HB2 ARG 72 1HB ARG 72 -4.089 -0.519 -7.476 515 HB3 ARG 72 2HB ARG 72 -4.961 -0.451 -5.958 516 HG2 ARG 72 1HG ARG 72 -5.608 1.945 -6.500 517 HG3 ARG 72 2HG ARG 72 -4.843 1.757 -8.066 518 HD2 ARG 72 1HD ARG 72 -6.561 0.475 -8.901 519 HD3 ARG 72 2HD ARG 72 -6.753 -0.425 -7.410 520 HE ARG 72 HE ARG 72 -7.638 2.345 -7.150 521 HH11 ARG 72 2HH2 ARG 72 -8.599 -0.866 -8.221 522 HH12 ARG 72 1HH2 ARG 72 -10.293 -0.563 -8.028 523 HH21 ARG 72 2HH1 ARG 72 -9.873 2.746 -6.895 524 HH22 ARG 72 1HH1 ARG 72 -11.023 1.506 -7.268 525 H ILE 73 H ILE 73 -2.735 3.277 -5.414 526 HA ILE 73 HA ILE 73 -3.520 3.065 -2.676 527 HB ILE 73 HB ILE 73 -2.420 5.172 -4.474 528 HG12 ILE 73 1HG1 ILE 73 -0.919 5.332 -2.328 529 HG13 ILE 73 2HG1 ILE 73 -1.614 3.771 -1.940 530 HG21 ILE 73 1HG2 ILE 73 -4.194 5.681 -2.170 531 HG22 ILE 73 2HG2 ILE 73 -2.645 6.556 -2.149 532 HG23 ILE 73 3HG2 ILE 73 -3.745 6.727 -3.538 533 HD11 ILE 73 1HD1 ILE 73 0.277 4.517 -4.125 534 HD12 ILE 73 2HD1 ILE 73 0.130 2.992 -3.218 535 HD13 ILE 73 3HD1 ILE 73 -0.984 3.339 -4.563 536 H ILE 74 H ILE 74 -5.438 3.639 -1.711 537 HA ILE 74 HA ILE 74 -7.549 4.462 -3.576 538 HB ILE 74 HB ILE 74 -7.679 2.909 -0.989 539 HG12 ILE 74 1HG1 ILE 74 -6.970 1.362 -2.542 540 HG13 ILE 74 2HG1 ILE 74 -8.711 1.205 -2.665 541 HG21 ILE 74 1HG2 ILE 74 -9.979 2.944 -1.046 542 HG22 ILE 74 2HG2 ILE 74 -9.592 4.595 -1.586 543 HG23 ILE 74 3HG2 ILE 74 -10.044 3.352 -2.777 544 HD11 ILE 74 1HD1 ILE 74 -8.545 3.005 -4.556 545 HD12 ILE 74 2HD1 ILE 74 -6.808 2.614 -4.563 546 HD13 ILE 74 3HD1 ILE 74 -8.007 1.348 -4.923 547 H GLN 75 H GLN 75 -6.313 4.884 -0.192 548 HA GLN 75 HA GLN 75 -7.111 7.654 -0.421 549 HB2 GLN 75 1HB GLN 75 -7.982 5.792 1.828 550 HB3 GLN 75 2HB GLN 75 -8.052 7.539 1.952 551 HG2 GLN 75 1HG GLN 75 -9.731 7.731 0.302 552 HG3 GLN 75 2HG GLN 75 -9.319 6.202 -0.447 553 HE21 GLN 75 1HE2 GLN 75 -11.258 5.235 -0.368 554 HE22 GLN 75 2HE2 GLN 75 -12.100 4.790 1.079 555 H ILE 76 H ILE 76 -6.052 9.038 1.292 556 HA ILE 76 HA ILE 76 -3.625 7.733 2.311 557 HB ILE 76 HB ILE 76 -3.912 10.430 0.989 558 HG12 ILE 76 1HG1 ILE 76 -2.303 7.967 0.252 559 HG13 ILE 76 2HG1 ILE 76 -3.748 8.537 -0.559 560 HG21 ILE 76 1HG2 ILE 76 -2.271 9.872 3.144 561 HG22 ILE 76 2HG2 ILE 76 -1.209 9.620 1.738 562 HG23 ILE 76 3HG2 ILE 76 -2.046 11.176 1.953 563 HD11 ILE 76 1HD1 ILE 76 -1.576 10.566 -0.244 564 HD12 ILE 76 2HD1 ILE 76 -1.227 9.211 -1.345 565 HD13 ILE 76 3HD1 ILE 76 -2.645 10.249 -1.632 566 H ASN 77 H ASN 77 -4.015 7.514 4.464 567 HA ASN 77 HA ASN 77 -4.181 8.168 6.540 568 HB2 ASN 77 1HB ASN 77 -3.661 10.670 5.251 569 HB3 ASN 77 2HB ASN 77 -5.019 10.967 6.319 570 HD21 ASN 77 1HD2 ASN 77 -1.668 10.305 6.043 571 HD22 ASN 77 2HD2 ASN 77 -1.236 10.354 7.720 572 H GLY 78 H GLY 78 -6.491 8.142 4.182 573 HA2 GLY 78 1HA GLY 78 -8.691 7.401 4.798 574 HA3 GLY 78 2HA GLY 78 -8.696 8.572 6.102 575 H ILE 79 H ILE 79 -7.195 9.621 3.113 576 HA ILE 79 HA ILE 79 -9.577 11.249 2.579 577 HB ILE 79 HB ILE 79 -6.636 11.757 2.200 578 HG12 ILE 79 1HG1 ILE 79 -8.784 12.751 3.996 579 HG13 ILE 79 2HG1 ILE 79 -7.078 12.496 4.307 580 HG21 ILE 79 1HG2 ILE 79 -7.076 13.698 0.928 581 HG22 ILE 79 2HG2 ILE 79 -8.000 12.387 0.156 582 HG23 ILE 79 3HG2 ILE 79 -8.831 13.572 1.192 583 HD11 ILE 79 1HD1 ILE 79 -7.593 14.907 4.315 584 HD12 ILE 79 2HD1 ILE 79 -6.527 14.519 2.944 585 HD13 ILE 79 3HD1 ILE 79 -8.266 14.785 2.671 586 H GLU 80 H GLU 80 -10.314 11.488 0.407 587 HA GLU 80 HA GLU 80 -9.569 9.202 -1.197 588 HB2 GLU 80 1HB GLU 80 -11.976 10.923 -0.900 589 HB3 GLU 80 2HB GLU 80 -11.635 10.436 -2.549 590 HG2 GLU 80 1HG GLU 80 -11.465 8.313 -0.419 591 HG3 GLU 80 2HG GLU 80 -13.062 8.886 -0.856 592 H VAL 81 H VAL 81 -7.751 9.616 -2.419 593 HA VAL 81 HA VAL 81 -7.183 12.219 -3.400 594 HB VAL 81 HB VAL 81 -5.433 10.862 -4.709 595 HG11 VAL 81 1HG1 VAL 81 -5.600 11.736 -1.999 596 HG12 VAL 81 2HG1 VAL 81 -4.693 10.205 -2.024 597 HG13 VAL 81 3HG1 VAL 81 -4.156 11.574 -3.027 598 HG21 VAL 81 1HG2 VAL 81 -5.100 8.612 -4.255 599 HG22 VAL 81 2HG2 VAL 81 -6.044 8.665 -2.747 600 HG23 VAL 81 3HG2 VAL 81 -6.876 8.712 -4.320 601 H GLN 82 H GLN 82 -7.015 12.829 -5.696 602 HA GLN 82 HA GLN 82 -8.563 11.190 -7.486 603 HB2 GLN 82 1HB GLN 82 -9.360 14.011 -6.673 604 HB3 GLN 82 2HB GLN 82 -9.891 13.300 -8.184 605 HG2 GLN 82 1HG GLN 82 -10.942 11.413 -6.960 606 HG3 GLN 82 2HG GLN 82 -10.352 12.046 -5.436 607 HE21 GLN 82 1HE2 GLN 82 -12.820 11.746 -5.236 608 HE22 GLN 82 2HE2 GLN 82 -13.787 13.160 -5.493 609 H ASN 83 H ASN 83 -5.722 12.337 -6.979 610 HA ASN 83 HA ASN 83 -5.240 12.887 -9.717 611 HB2 ASN 83 1HB ASN 83 -4.122 15.031 -7.917 612 HB3 ASN 83 2HB ASN 83 -4.557 15.131 -9.612 613 HD21 ASN 83 1HD2 ASN 83 -5.752 15.065 -6.317 614 HD22 ASN 83 2HD2 ASN 83 -7.297 15.795 -6.603 615 H ARG 84 H ARG 84 -2.911 12.643 -10.179 616 HA ARG 84 HA ARG 84 -1.621 10.939 -8.442 617 HB2 ARG 84 1HB ARG 84 -0.993 10.830 -10.743 618 HB3 ARG 84 2HB ARG 84 -0.743 12.561 -10.856 619 HG2 ARG 84 1HG ARG 84 1.390 12.457 -9.973 620 HG3 ARG 84 2HG ARG 84 0.984 11.170 -8.856 621 HD2 ARG 84 1HD ARG 84 1.178 9.476 -10.564 622 HD3 ARG 84 2HD ARG 84 1.164 10.662 -11.854 623 HE ARG 84 HE ARG 84 3.477 9.800 -10.376 624 HH11 ARG 84 2HH2 ARG 84 2.058 12.691 -11.796 625 HH12 ARG 84 1HH2 ARG 84 3.583 13.475 -12.038 626 HH21 ARG 84 2HH1 ARG 84 5.489 10.835 -10.696 627 HH22 ARG 84 1HH1 ARG 84 5.548 12.413 -11.408 628 H GLU 85 H GLU 85 -0.805 14.380 -9.340 629 HA GLU 85 HA GLU 85 1.282 14.791 -7.736 630 HB2 GLU 85 1HB GLU 85 -1.033 16.662 -8.375 631 HB3 GLU 85 2HB GLU 85 0.420 17.209 -7.561 632 HG2 GLU 85 1HG GLU 85 1.222 15.651 -9.859 633 HG3 GLU 85 2HG GLU 85 0.004 16.797 -10.384 634 H GLU 86 H GLU 86 -2.192 15.248 -6.761 635 HA GLU 86 HA GLU 86 -1.726 15.997 -4.188 636 HB2 GLU 86 1HB GLU 86 -3.948 15.500 -5.729 637 HB3 GLU 86 2HB GLU 86 -4.045 14.169 -4.594 638 HG2 GLU 86 1HG GLU 86 -5.252 16.247 -3.817 639 HG3 GLU 86 2HG GLU 86 -4.040 15.677 -2.686 640 H ALA 87 H ALA 87 -2.023 12.668 -5.571 641 HA ALA 87 HA ALA 87 -1.990 11.219 -3.248 642 HB1 ALA 87 1HB ALA 87 -2.139 9.668 -4.867 643 HB2 ALA 87 2HB ALA 87 -1.520 10.814 -6.081 644 HB3 ALA 87 3HB ALA 87 -0.386 9.832 -5.123 645 H VAL 88 H VAL 88 0.638 12.984 -4.882 646 HA VAL 88 HA VAL 88 2.589 11.834 -3.059 647 HB VAL 88 HB VAL 88 2.718 13.619 -5.482 648 HG11 VAL 88 1HG1 VAL 88 4.498 14.610 -4.501 649 HG12 VAL 88 2HG1 VAL 88 4.693 13.313 -3.298 650 HG13 VAL 88 3HG1 VAL 88 5.336 13.104 -4.945 651 HG21 VAL 88 1HG2 VAL 88 2.676 11.508 -6.337 652 HG22 VAL 88 2HG2 VAL 88 4.417 11.598 -5.979 653 HG23 VAL 88 3HG2 VAL 88 3.317 10.770 -4.850 654 H ALA 89 H ALA 89 1.114 15.018 -3.950 655 HA ALA 89 HA ALA 89 2.479 16.649 -2.258 656 HB1 ALA 89 1HB ALA 89 -0.524 16.794 -2.685 657 HB2 ALA 89 2HB ALA 89 0.626 18.136 -2.469 658 HB3 ALA 89 3HB ALA 89 0.648 17.178 -3.969 659 H LEU 90 H LEU 90 -0.470 14.673 -1.494 660 HA LEU 90 HA LEU 90 -0.712 15.455 1.141 661 HB2 LEU 90 1HB LEU 90 -1.828 13.519 -0.628 662 HB3 LEU 90 2HB LEU 90 -1.432 12.709 0.875 663 HG LEU 90 HG LEU 90 -2.968 15.298 0.908 664 HD11 LEU 90 1HD1 LEU 90 -4.064 13.722 -0.703 665 HD12 LEU 90 2HD1 LEU 90 -4.263 12.575 0.644 666 HD13 LEU 90 3HD1 LEU 90 -5.060 14.165 0.705 667 HD21 LEU 90 1HD2 LEU 90 -3.777 14.531 3.022 668 HD22 LEU 90 2HD2 LEU 90 -3.073 12.915 2.773 669 HD23 LEU 90 3HD2 LEU 90 -2.009 14.324 3.006 670 H LEU 91 H LEU 91 1.275 12.831 -0.343 671 HA LEU 91 HA LEU 91 2.227 11.869 2.130 672 HB2 LEU 91 1HB LEU 91 3.081 11.571 -0.736 673 HB3 LEU 91 2HB LEU 91 4.036 10.894 0.568 674 HG LEU 91 HG LEU 91 2.254 9.443 -0.685 675 HD11 LEU 91 1HD1 LEU 91 3.324 8.254 0.922 676 HD12 LEU 91 2HD1 LEU 91 3.053 9.485 2.179 677 HD13 LEU 91 3HD1 LEU 91 1.735 8.383 1.715 678 HD21 LEU 91 1HD2 LEU 91 0.423 11.118 -0.258 679 HD22 LEU 91 2HD2 LEU 91 0.048 9.440 0.203 680 HD23 LEU 91 3HD2 LEU 91 0.476 10.632 1.453 681 H THR 92 H THR 92 2.784 14.781 0.408 682 HA THR 92 HA THR 92 5.340 15.148 1.829 683 HB THR 92 HB THR 92 6.035 16.518 -0.012 684 HG1 THR 92 1HG THR 92 4.440 17.685 -1.026 685 HG21 THR 92 1HG2 THR 92 4.569 15.081 -2.001 686 HG22 THR 92 2HG2 THR 92 6.219 14.735 -1.430 687 HG23 THR 92 3HG2 THR 92 4.825 13.941 -0.659 688 H SER 93 H SER 93 3.035 15.365 3.338 689 HA SER 93 HA SER 93 2.479 18.209 3.353 690 HB2 SER 93 1HB SER 93 0.997 15.794 4.058 691 HB3 SER 93 2HB SER 93 1.000 16.916 5.404 692 HG SER 93 HG SER 93 -0.331 17.078 2.972 693 H GLU 94 H GLU 94 3.413 19.553 4.867 694 HA GLU 94 HA GLU 94 5.172 18.316 6.761 695 HB2 GLU 94 1HB GLU 94 5.024 20.833 5.369 696 HB3 GLU 94 2HB GLU 94 5.050 21.175 7.087 697 HG2 GLU 94 1HG GLU 94 6.974 19.155 6.826 698 HG3 GLU 94 2HG GLU 94 7.188 20.088 5.358 699 H GLU 95 H GLU 95 2.618 17.550 7.421 700 HA GLU 95 HA GLU 95 2.341 18.853 9.957 701 HB2 GLU 95 1HB GLU 95 0.348 19.162 7.751 702 HB3 GLU 95 2HB GLU 95 -0.319 18.783 9.326 703 HG2 GLU 95 1HG GLU 95 1.788 20.845 9.478 704 HG3 GLU 95 2HG GLU 95 0.468 21.325 8.430 705 H ASN 96 H ASN 96 1.109 16.420 7.586 706 HA ASN 96 HA ASN 96 -0.001 14.802 9.607 707 HB2 ASN 96 1HB ASN 96 0.696 14.345 6.669 708 HB3 ASN 96 2HB ASN 96 0.012 13.066 7.653 709 HD21 ASN 96 1HD2 ASN 96 -0.794 15.131 5.399 710 HD22 ASN 96 2HD2 ASN 96 -2.414 15.570 5.825 711 H LYS 97 H LYS 97 1.230 13.545 11.013 712 HA LYS 97 HA LYS 97 3.972 12.951 10.266 713 HB2 LYS 97 1HB LYS 97 2.828 13.780 12.613 714 HB3 LYS 97 2HB LYS 97 2.949 12.054 12.888 715 HG2 LYS 97 1HG LYS 97 5.407 12.879 11.645 716 HG3 LYS 97 2HG LYS 97 5.061 14.038 12.914 717 HD2 LYS 97 1HD LYS 97 4.561 11.240 13.746 718 HD3 LYS 97 2HD LYS 97 6.226 11.523 13.276 719 HE2 LYS 97 1HE LYS 97 6.359 12.168 15.504 720 HE3 LYS 97 2HE LYS 97 5.944 13.715 14.794 721 HZ1 LYS 97 1HZ LYS 97 3.648 13.282 15.297 722 HZ2 LYS 97 2HZ LYS 97 4.004 11.812 15.913 723 HZ3 LYS 97 3HZ LYS 97 4.539 13.162 16.660 724 H ASN 98 H ASN 98 1.041 11.187 11.498 725 HA ASN 98 HA ASN 98 2.251 8.713 10.770 726 HB2 ASN 98 1HB ASN 98 -0.107 7.836 11.452 727 HB3 ASN 98 2HB ASN 98 0.850 8.596 12.708 728 HD21 ASN 98 1HD2 ASN 98 0.337 10.632 13.468 729 HD22 ASN 98 2HD2 ASN 98 -1.192 11.396 13.188 730 H PHE 99 H PHE 99 2.367 8.396 8.514 731 HA PHE 99 HA PHE 99 0.158 9.290 6.872 732 HB2 PHE 99 1HB PHE 99 2.927 8.034 6.474 733 HB3 PHE 99 2HB PHE 99 1.837 8.225 5.115 734 HD1 PHE 99 1HD PHE 99 0.978 10.607 4.627 735 HD2 PHE 99 2HD PHE 99 4.313 9.796 7.122 736 HE1 PHE 99 1HE PHE 99 1.789 12.961 4.308 737 HE2 PHE 99 2HE PHE 99 5.124 12.150 6.803 738 HZ PHE 99 HZ PHE 99 3.852 13.704 5.400 739 H SER 100 H SER 100 -1.616 7.938 7.062 740 HA SER 100 HA SER 100 -1.075 5.091 6.934 741 HB2 SER 100 1HB SER 100 -3.251 6.795 8.053 742 HB3 SER 100 2HB SER 100 -3.792 5.302 7.311 743 HG SER 100 HG SER 100 -1.659 5.402 9.263 744 H LEU 101 H LEU 101 -0.624 4.884 4.667 745 HA LEU 101 HA LEU 101 -2.597 5.894 2.808 746 HB2 LEU 101 1HB LEU 101 -0.108 4.275 2.265 747 HB3 LEU 101 2HB LEU 101 -1.063 5.176 1.104 748 HG LEU 101 HG LEU 101 0.562 6.711 1.377 749 HD11 LEU 101 1HD1 LEU 101 -0.017 8.474 2.872 750 HD12 LEU 101 2HD1 LEU 101 -1.532 7.700 2.350 751 HD13 LEU 101 3HD1 LEU 101 -0.868 7.356 3.965 752 HD21 LEU 101 1HD2 LEU 101 1.182 6.300 4.254 753 HD22 LEU 101 2HD2 LEU 101 1.597 4.975 3.139 754 HD23 LEU 101 3HD2 LEU 101 2.261 6.605 2.871 755 H LEU 102 H LEU 102 -3.659 4.470 1.218 756 HA LEU 102 HA LEU 102 -4.166 1.830 2.404 757 HB2 LEU 102 1HB LEU 102 -5.924 3.971 1.577 758 HB3 LEU 102 2HB LEU 102 -6.276 2.504 0.686 759 HG LEU 102 HG LEU 102 -6.169 2.726 3.708 760 HD11 LEU 102 1HD1 LEU 102 -8.763 2.052 2.756 761 HD12 LEU 102 2HD1 LEU 102 -8.243 3.502 3.647 762 HD13 LEU 102 3HD1 LEU 102 -8.211 3.492 1.867 763 HD21 LEU 102 1HD2 LEU 102 -7.578 0.446 3.089 764 HD22 LEU 102 2HD2 LEU 102 -6.273 0.439 1.879 765 HD23 LEU 102 3HD2 LEU 102 -5.878 0.514 3.613 766 H ILE 103 H ILE 103 -4.459 0.033 0.932 767 HA ILE 103 HA ILE 103 -3.726 0.519 -1.828 768 HB ILE 103 HB ILE 103 -1.978 -1.305 -1.663 769 HG12 ILE 103 1HG1 ILE 103 -1.184 -0.709 1.036 770 HG13 ILE 103 2HG1 ILE 103 -2.825 -1.324 1.049 771 HG21 ILE 103 1HG2 ILE 103 -1.423 1.357 -0.324 772 HG22 ILE 103 2HG2 ILE 103 -0.211 0.271 -1.045 773 HG23 ILE 103 3HG2 ILE 103 -1.440 1.042 -2.075 774 HD11 ILE 103 1HD1 ILE 103 -2.209 -3.365 -0.010 775 HD12 ILE 103 2HD1 ILE 103 -0.663 -2.697 -0.587 776 HD13 ILE 103 3HD1 ILE 103 -0.888 -3.055 1.142 777 H ALA 104 H ALA 104 -4.309 -1.258 -3.228 778 HA ALA 104 HA ALA 104 -6.397 -2.887 -2.013 779 HB1 ALA 104 1HB ALA 104 -6.991 -3.308 -4.422 780 HB2 ALA 104 2HB ALA 104 -7.032 -1.589 -3.960 781 HB3 ALA 104 3HB ALA 104 -5.655 -2.228 -4.890 782 H ARG 105 H ARG 105 -5.808 -4.855 -1.255 783 HA ARG 105 HA ARG 105 -3.739 -6.222 -2.783 784 HB2 ARG 105 1HB ARG 105 -2.686 -6.003 -0.713 785 HB3 ARG 105 2HB ARG 105 -4.197 -5.921 0.170 786 HG2 ARG 105 1HG ARG 105 -4.482 -8.283 0.166 787 HG3 ARG 105 2HG ARG 105 -3.385 -8.513 -1.181 788 HD2 ARG 105 1HD ARG 105 -1.444 -8.081 0.181 789 HD3 ARG 105 2HD ARG 105 -2.403 -7.392 1.475 790 HE ARG 105 HE ARG 105 -3.157 -10.151 0.912 791 HH11 ARG 105 2HH2 ARG 105 -0.838 -8.133 2.623 792 HH12 ARG 105 1HH2 ARG 105 -0.457 -9.346 3.799 793 HH21 ARG 105 2HH1 ARG 105 -2.655 -11.752 2.463 794 HH22 ARG 105 1HH1 ARG 105 -1.498 -11.418 3.707 795 HA PRO 106 HA PRO 106 -6.855 -9.244 -3.335 796 HB2 PRO 106 1HB PRO 106 -5.359 -11.210 -4.505 797 HB3 PRO 106 2HB PRO 106 -6.009 -9.845 -5.391 798 HG2 PRO 106 1HG PRO 106 -3.226 -10.337 -4.523 799 HG3 PRO 106 2HG PRO 106 -3.815 -9.229 -5.746 800 HD2 PRO 106 1HD PRO 106 -2.946 -8.556 -3.097 801 HD3 PRO 106 2HD PRO 106 -3.643 -7.467 -4.279 802 H GLU 107 H GLU 107 -7.785 -11.130 -2.476 803 HA GLU 107 HA GLU 107 -6.197 -12.031 -0.207 804 HB2 GLU 107 1HB GLU 107 -8.462 -10.900 0.186 805 HB3 GLU 107 2HB GLU 107 -9.210 -12.295 -0.565 806 HG2 GLU 107 1HG GLU 107 -9.270 -12.895 1.704 807 HG3 GLU 107 2HG GLU 107 -7.807 -13.698 1.168 808 H LEU 108 H LEU 108 -6.131 -14.329 0.297 809 HA LEU 108 HA LEU 108 -6.022 -16.483 -0.174 810 HB2 LEU 108 1HB LEU 108 -8.433 -15.645 -1.649 811 HB3 LEU 108 2HB LEU 108 -7.699 -17.133 -2.216 812 HG LEU 108 HG LEU 108 -8.104 -16.882 0.724 813 HD11 LEU 108 1HD1 LEU 108 -10.464 -17.602 -1.006 814 HD12 LEU 108 2HD1 LEU 108 -10.413 -17.238 0.735 815 HD13 LEU 108 3HD1 LEU 108 -10.181 -15.934 -0.454 816 HD21 LEU 108 1HD2 LEU 108 -7.515 -18.926 -1.163 817 HD22 LEU 108 2HD2 LEU 108 -7.654 -19.048 0.608 818 HD23 LEU 108 3HD2 LEU 108 -9.086 -19.306 -0.417 819 H GLN 109 H GLN 109 -6.718 -15.120 -3.469 820 HA GLN 109 HA GLN 109 -5.559 -15.114 -5.304 821 HB2 GLN 109 1HB GLN 109 -3.874 -13.976 -3.595 822 HB3 GLN 109 2HB GLN 109 -2.932 -15.432 -3.844 823 HG2 GLN 109 1HG GLN 109 -2.938 -15.041 -6.301 824 HG3 GLN 109 2HG GLN 109 -3.936 -13.616 -6.088 825 HE21 GLN 109 1HE2 GLN 109 -1.417 -13.675 -7.332 826 HE22 GLN 109 2HE2 GLN 109 -0.304 -12.706 -6.425 827 H LEU 110 H LEU 110 -4.411 -16.515 -6.865 828 HA LEU 110 HA LEU 110 -4.983 -19.187 -6.526 829 HB2 LEU 110 1HB LEU 110 -3.334 -17.577 -8.412 830 HB3 LEU 110 2HB LEU 110 -3.127 -19.318 -8.428 831 HG LEU 110 HG LEU 110 -5.923 -18.285 -8.546 832 HD11 LEU 110 1HD1 LEU 110 -5.749 -17.117 -10.422 833 HD12 LEU 110 2HD1 LEU 110 -3.977 -17.228 -10.287 834 HD13 LEU 110 3HD1 LEU 110 -4.876 -18.445 -11.224 835 HD21 LEU 110 1HD2 LEU 110 -6.010 -20.184 -10.270 836 HD22 LEU 110 2HD2 LEU 110 -4.388 -20.619 -9.679 837 HD23 LEU 110 3HD2 LEU 110 -5.772 -20.619 -8.560 838 H ASP 111 H ASP 111 -3.363 -21.048 -6.563 839 HA ASP 111 HA ASP 111 -1.490 -20.524 -4.423 840 HB2 ASP 111 1HB ASP 111 -1.337 -23.123 -4.495 841 HB3 ASP 111 2HB ASP 111 -2.820 -22.404 -3.901 842 H GLU 112 H GLU 112 0.455 -19.779 -5.369 843 HA GLU 112 HA GLU 112 1.804 -21.661 -7.052 844 HB2 GLU 112 1HB GLU 112 0.425 -20.003 -8.534 845 HB3 GLU 112 2HB GLU 112 1.615 -18.806 -8.063 846 HG2 GLU 112 1HG GLU 112 2.870 -21.338 -8.910 847 HG3 GLU 112 2HG GLU 112 1.860 -20.653 -10.168 848 H GLY 113 H GLY 113 2.939 -21.695 -4.900 849 HA2 GLY 113 1HA GLY 113 4.753 -19.375 -4.605 850 HA3 GLY 113 2HA GLY 113 4.181 -20.371 -3.282 851 H TRP 114 H TRP 114 5.237 -22.297 -2.761 852 HA TRP 114 HA TRP 114 6.857 -23.805 -2.728 853 HB2 TRP 114 1HB TRP 114 5.982 -23.727 -5.490 854 HB3 TRP 114 2HB TRP 114 7.675 -24.166 -5.380 855 HD1 TRP 114 HD TRP 114 4.196 -25.487 -4.407 856 HE1 TRP 114 1HE TRP 114 4.289 -28.038 -3.735 857 HE3 TRP 114 3HE TRP 114 9.268 -25.847 -4.425 858 HZ2 TRP 114 2HZ TRP 114 6.426 -29.878 -3.297 859 HZ3 TRP 114 3HZ TRP 114 10.277 -28.056 -3.864 860 HH2 TRP 114 HH TRP 114 8.943 -30.029 -3.313 861 H MET 115 H MET 115 7.909 -21.712 -1.750 862 HA MET 115 HA MET 115 10.412 -21.384 -3.167 863 HB2 MET 115 1HB MET 115 8.979 -19.415 -3.764 864 HB3 MET 115 2HB MET 115 8.681 -19.100 -2.065 865 HG2 MET 115 1HG MET 115 10.428 -17.581 -2.662 866 HG3 MET 115 2HG MET 115 11.241 -18.865 -1.790 867 HE1 MET 115 1HE MET 115 11.062 -16.721 -4.619 868 HE2 MET 115 2HE MET 115 12.754 -16.818 -4.076 869 HE3 MET 115 3HE MET 115 12.322 -17.307 -5.732 870 H ASP 116 H ASP 116 11.826 -22.271 -1.708 871 HA ASP 116 HA ASP 116 11.322 -22.446 0.988 872 HB2 ASP 116 1HB ASP 116 13.860 -22.566 -0.679 873 HB3 ASP 116 2HB ASP 116 13.938 -22.738 1.063 874 H ASP 117 H ASP 117 10.823 -20.415 1.987 875 HA ASP 117 HA ASP 117 12.961 -18.879 2.808 876 HB2 ASP 117 1HB ASP 117 12.622 -18.121 0.319 877 HB3 ASP 117 2HB ASP 117 11.165 -17.337 0.897 878 H ASP 118 H ASP 118 12.234 -17.572 4.588 879 HA ASP 118 HA ASP 118 9.777 -18.171 5.643 880 HB2 ASP 118 1HB ASP 118 11.853 -17.226 6.813 881 HB3 ASP 118 2HB ASP 118 11.406 -15.649 6.194 882 H SER 119 H SER 119 7.988 -17.692 4.253 883 HA SER 119 HA SER 119 7.069 -15.069 4.292 884 HB2 SER 119 1HB SER 119 8.899 -15.050 2.417 885 HB3 SER 119 2HB SER 119 7.739 -15.961 1.470 886 HG SER 119 HG SER 119 7.786 -13.257 2.063 887 H GLY 120 H GLY 120 4.828 -15.152 4.070 888 HA2 GLY 120 1HA GLY 120 3.253 -16.489 2.377 889 HA3 GLY 120 2HA GLY 120 3.673 -17.758 3.511 890 HA PRO 121 HA PRO 121 1.234 -14.426 5.869 891 HB2 PRO 121 1HB PRO 121 -0.013 -12.451 4.450 892 HB3 PRO 121 2HB PRO 121 1.545 -12.238 5.222 893 HG2 PRO 121 1HG PRO 121 0.932 -12.603 2.353 894 HG3 PRO 121 2HG PRO 121 2.392 -11.975 3.093 895 HD2 PRO 121 1HD PRO 121 2.023 -14.591 1.976 896 HD3 PRO 121 2HD PRO 121 3.442 -14.001 2.818 897 H SER 122 H SER 122 -0.730 -14.894 6.742 898 HA SER 122 HA SER 122 -2.617 -15.884 4.753 899 HB2 SER 122 1HB SER 122 -3.339 -17.561 6.547 900 HB3 SER 122 2HB SER 122 -1.785 -17.864 5.797 901 HG SER 122 HG SER 122 -2.371 -16.916 8.434 902 H SER 123 H SER 123 -4.946 -15.885 5.623 903 HA SER 123 HA SER 123 -5.331 -13.391 6.974 904 HB2 SER 123 1HB SER 123 -6.987 -15.274 5.351 905 HB3 SER 123 2HB SER 123 -7.858 -14.371 6.574 906 HG SER 123 HG SER 123 -7.668 -12.580 5.412 907 H GLY 124 H GLY 124 -7.220 -13.349 8.697 908 HA2 GLY 124 1HA GLY 124 -6.922 -15.692 10.481 909 HA3 GLY 124 2HA GLY 124 -6.842 -14.038 11.056
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