NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5829 | 1i0u | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H GLY 1 H GLY 1 -26.178 -3.585 -7.583 2 1HA GLY 1 2HA GLY 1 -28.916 -3.881 -8.445 3 2HA GLY 1 1HA GLY 1 -28.739 -4.280 -6.738 4 H THR 2 H THR 2 -28.613 -2.641 -5.292 5 HA THR 2 HA THR 2 -29.330 -0.020 -5.994 6 HB THR 2 HB THR 2 -29.867 -1.095 -3.798 7 HG1 THR 2 HG1 THR 2 -29.551 0.765 -2.672 8 1HG2 THR 2 1HG2 THR 2 -28.113 -1.101 -2.056 9 2HG2 THR 2 2HG2 THR 2 -27.524 -2.068 -3.406 10 3HG2 THR 2 3HG2 THR 2 -26.952 -0.418 -3.181 11 H ASN 3 H ASN 3 -27.880 1.750 -4.657 12 HA ASN 3 HA ASN 3 -25.171 1.737 -5.908 13 1HB ASN 3 2HB ASN 3 -26.917 3.343 -6.733 14 2HB ASN 3 1HB ASN 3 -26.940 4.080 -5.151 15 1HD2 ASN 3 1HD2 ASN 3 -26.238 6.016 -6.598 16 2HD2 ASN 3 2HD2 ASN 3 -24.569 6.244 -6.803 17 H GLU 4 H GLU 4 -24.431 0.568 -3.974 18 HA GLU 4 HA GLU 4 -24.684 1.550 -1.319 19 1HB GLU 4 2HB GLU 4 -22.242 0.016 -2.237 20 2HB GLU 4 1HB GLU 4 -23.054 0.022 -0.697 21 1HG GLU 4 2HG GLU 4 -23.523 -2.095 -1.606 22 2HG GLU 4 1HG GLU 4 -25.008 -1.178 -1.791 23 H CYS 5 H CYS 5 -22.967 2.837 -3.898 24 HA CYS 5 HA CYS 5 -20.582 3.692 -2.710 25 1HB CYS 5 2HB CYS 5 -22.199 4.988 -4.909 26 2HB CYS 5 1HB CYS 5 -20.518 5.256 -4.597 27 H LEU 6 H LEU 6 -23.695 5.062 -3.012 28 HA LEU 6 HA LEU 6 -23.487 7.662 -2.146 29 1HB LEU 6 2HB LEU 6 -25.694 5.681 -1.511 30 2HB LEU 6 1HB LEU 6 -25.860 7.423 -1.516 31 HG LEU 6 HG LEU 6 -25.118 5.703 -3.932 32 1HD1 LEU 6 1HD1 LEU 6 -27.676 7.215 -3.240 33 2HD1 LEU 6 2HD1 LEU 6 -27.389 6.351 -4.744 34 3HD1 LEU 6 3HD1 LEU 6 -27.483 5.468 -3.228 35 1HD2 LEU 6 1HD2 LEU 6 -24.125 8.014 -4.089 36 2HD2 LEU 6 2HD2 LEU 6 -25.705 8.710 -3.776 37 3HD2 LEU 6 3HD2 LEU 6 -25.412 7.814 -5.254 38 H ASP 7 H ASP 7 -23.954 4.801 -0.171 39 HA ASP 7 HA ASP 7 -23.431 6.315 2.359 40 1HB ASP 7 2HB ASP 7 -25.476 4.753 2.091 41 2HB ASP 7 1HB ASP 7 -24.321 3.445 1.895 42 H ASN 8 H ASN 8 -22.382 4.123 3.713 43 HA ASN 8 HA ASN 8 -19.657 4.280 3.365 44 1HB ASN 8 2HB ASN 8 -21.256 1.997 4.256 45 2HB ASN 8 1HB ASN 8 -19.550 2.165 4.612 46 1HD2 ASN 8 1HD2 ASN 8 -18.933 4.093 5.959 47 2HD2 ASN 8 2HD2 ASN 8 -20.056 4.729 7.062 48 H ASN 9 H ASN 9 -18.452 3.720 1.621 49 HA ASN 9 HA ASN 9 -19.230 2.660 -0.766 50 1HB ASN 9 2HB ASN 9 -17.071 3.698 -0.273 51 2HB ASN 9 1HB ASN 9 -16.626 2.261 0.650 52 1HD2 ASN 9 1HD2 ASN 9 -16.111 0.361 -0.394 53 2HD2 ASN 9 2HD2 ASN 9 -15.694 0.314 -2.025 54 H GLY 10 H GLY 10 -20.710 0.942 -0.512 55 1HA GLY 10 2HA GLY 10 -21.359 -1.298 -0.502 56 2HA GLY 10 1HA GLY 10 -19.683 -1.640 -0.875 57 H GLY 11 H GLY 11 -19.822 0.083 1.931 58 1HA GLY 11 2HA GLY 11 -20.602 -1.008 4.152 59 2HA GLY 11 1HA GLY 11 -19.498 -2.301 3.674 60 H CYS 12 H CYS 12 -17.588 -0.499 2.428 61 HA CYS 12 HA CYS 12 -16.267 0.588 4.847 62 1HB CYS 12 2HB CYS 12 -14.261 0.214 3.620 63 2HB CYS 12 1HB CYS 12 -15.229 -1.242 3.539 64 H SER 13 H SER 13 -14.538 1.783 2.491 65 HA SER 13 HA SER 13 -16.096 4.012 1.483 66 1HB SER 13 2HB SER 13 -14.801 5.749 2.698 67 2HB SER 13 1HB SER 13 -15.679 4.706 3.826 68 HG SER 13 HG SER 13 -12.968 4.418 3.010 69 H HIS 14 H HIS 14 -14.614 1.869 0.492 70 HA HIS 14 HA HIS 14 -12.251 3.080 -0.843 71 1HB HIS 14 2HB HIS 14 -13.036 0.189 -0.349 72 2HB HIS 14 1HB HIS 14 -11.592 0.727 -1.165 73 HD1 HIS 14 HD1 HIS 14 -12.554 -0.236 2.057 74 HD2 HIS 14 HD2 HIS 14 -10.114 2.730 0.677 75 HE1 HIS 14 HE1 HIS 14 -11.130 0.428 3.956 76 H VAL 15 H VAL 15 -13.500 0.214 -2.268 77 HA VAL 15 HA VAL 15 -14.613 1.766 -4.579 78 HB VAL 15 HB VAL 15 -13.230 -0.923 -4.568 79 1HG1 VAL 15 1HG1 VAL 15 -14.394 0.647 -6.930 80 2HG1 VAL 15 2HG1 VAL 15 -15.036 -0.857 -6.303 81 3HG1 VAL 15 3HG1 VAL 15 -13.464 -0.835 -7.067 82 1HG2 VAL 15 1HG2 VAL 15 -12.422 1.749 -5.751 83 2HG2 VAL 15 2HG2 VAL 15 -11.546 0.235 -5.936 84 3HG2 VAL 15 3HG2 VAL 15 -11.694 0.978 -4.345 85 H CYS 16 H CYS 16 -16.698 1.693 -4.465 86 HA CYS 16 HA CYS 16 -18.237 -0.537 -3.402 87 1HB CYS 16 2HB CYS 16 -20.127 0.962 -4.099 88 2HB CYS 16 1HB CYS 16 -18.979 1.765 -3.067 89 H ASN 17 H ASN 17 -17.359 -2.201 -4.801 90 HA ASN 17 HA ASN 17 -17.981 -1.947 -7.690 91 1HB ASN 17 2HB ASN 17 -15.806 -2.657 -7.199 92 2HB ASN 17 1HB ASN 17 -16.277 -3.789 -5.976 93 1HD2 ASN 17 1HD2 ASN 17 -16.747 -5.898 -6.725 94 2HD2 ASN 17 2HD2 ASN 17 -16.760 -6.357 -8.354 95 H ASP 18 H ASP 18 -19.940 -1.957 -7.616 96 HA ASP 18 HA ASP 18 -21.897 -3.332 -6.231 97 1HB ASP 18 2HB ASP 18 -22.242 -1.340 -7.677 98 2HB ASP 18 1HB ASP 18 -22.069 -2.348 -9.095 99 H LEU 19 H LEU 19 -21.328 -5.471 -5.997 100 HA LEU 19 HA LEU 19 -21.100 -7.367 -8.091 101 1HB LEU 19 2HB LEU 19 -20.369 -7.391 -5.551 102 2HB LEU 19 1HB LEU 19 -22.030 -7.794 -5.245 103 HG LEU 19 HG LEU 19 -21.873 -9.848 -6.610 104 1HD1 LEU 19 1HD1 LEU 19 -18.953 -9.028 -6.728 105 2HD1 LEU 19 2HD1 LEU 19 -20.031 -9.024 -8.109 106 3HD1 LEU 19 3HD1 LEU 19 -19.604 -10.543 -7.346 107 1HD2 LEU 19 1HD2 LEU 19 -20.496 -11.052 -4.946 108 2HD2 LEU 19 2HD2 LEU 19 -21.500 -9.835 -4.191 109 3HD2 LEU 19 3HD2 LEU 19 -19.790 -9.525 -4.422 110 H LYS 20 H LYS 20 -22.770 -9.269 -8.117 111 HA LYS 20 HA LYS 20 -25.349 -8.143 -8.806 112 1HB LYS 20 2HB LYS 20 -25.944 -10.506 -9.315 113 2HB LYS 20 1HB LYS 20 -24.383 -10.097 -9.999 114 1HG LYS 20 2HG LYS 20 -23.247 -11.231 -8.070 115 2HG LYS 20 1HG LYS 20 -24.820 -11.686 -7.430 116 1HD LYS 20 2HD LYS 20 -25.338 -12.943 -9.490 117 2HD LYS 20 1HD LYS 20 -23.768 -12.515 -10.153 118 1HE LYS 20 2HE LYS 20 -22.649 -13.684 -8.256 119 2HE LYS 20 1HE LYS 20 -24.221 -14.112 -7.593 120 1HZ LYS 20 1HZ LYS 20 -24.701 -15.318 -9.631 121 2HZ LYS 20 2HZ LYS 20 -23.313 -15.916 -8.857 122 3HZ LYS 20 3HZ LYS 20 -23.160 -14.932 -10.234 123 H ILE 21 H ILE 21 -24.088 -10.209 -6.216 124 HA ILE 21 HA ILE 21 -26.116 -9.267 -4.321 125 HB ILE 21 HB ILE 21 -25.527 -12.187 -4.994 126 1HG1 ILE 21 2HG1 ILE 21 -28.124 -10.599 -5.297 127 2HG1 ILE 21 1HG1 ILE 21 -27.105 -11.148 -6.613 128 1HG2 ILE 21 1HG2 ILE 21 -27.313 -10.987 -2.841 129 2HG2 ILE 21 2HG2 ILE 21 -25.794 -11.830 -2.566 130 3HG2 ILE 21 3HG2 ILE 21 -27.175 -12.710 -3.184 131 1HD1 ILE 21 1HD1 ILE 21 -27.523 -13.503 -6.014 132 2HD1 ILE 21 2HD1 ILE 21 -29.019 -12.648 -6.355 133 3HD1 ILE 21 3HD1 ILE 21 -28.573 -12.998 -4.698 134 H GLY 22 H GLY 22 -24.829 -8.505 -2.708 135 1HA GLY 22 2HA GLY 22 -23.397 -8.736 -0.867 136 2HA GLY 22 1HA GLY 22 -22.692 -10.131 -1.646 137 H TYR 23 H TYR 23 -23.196 -6.856 -2.563 138 HA TYR 23 HA TYR 23 -21.243 -6.065 -4.224 139 1HB TYR 23 2HB TYR 23 -21.878 -4.374 -1.834 140 2HB TYR 23 1HB TYR 23 -21.429 -3.849 -3.438 141 HD1 TYR 23 HD1 TYR 23 -23.004 -4.840 -5.407 142 HD2 TYR 23 HD2 TYR 23 -24.171 -4.366 -1.361 143 HE1 TYR 23 HE1 TYR 23 -25.343 -4.805 -6.097 144 HE2 TYR 23 HE2 TYR 23 -26.531 -4.327 -2.044 145 HH TYR 23 HH TYR 23 -27.514 -3.832 -5.160 146 H GLU 24 H GLU 24 -19.245 -5.047 -4.180 147 HA GLU 24 HA GLU 24 -17.475 -5.962 -2.005 148 1HB GLU 24 2HB GLU 24 -16.879 -5.342 -4.878 149 2HB GLU 24 1HB GLU 24 -15.741 -5.925 -3.695 150 1HG GLU 24 2HG GLU 24 -17.306 -7.890 -3.326 151 2HG GLU 24 1HG GLU 24 -18.242 -7.266 -4.686 152 H CYS 25 H CYS 25 -15.643 -4.985 -1.605 153 HA CYS 25 HA CYS 25 -15.505 -2.089 -1.650 154 1HB CYS 25 2HB CYS 25 -16.087 -2.799 0.629 155 2HB CYS 25 1HB CYS 25 -14.868 -4.053 0.587 156 H LEU 26 H LEU 26 -14.264 -2.801 -3.704 157 HA LEU 26 HA LEU 26 -11.748 -4.187 -3.330 158 1HB LEU 26 2HB LEU 26 -12.441 -2.432 -5.713 159 2HB LEU 26 1HB LEU 26 -11.407 -3.808 -5.621 160 HG LEU 26 HG LEU 26 -14.391 -4.019 -5.280 161 1HD1 LEU 26 1HD1 LEU 26 -13.801 -3.528 -7.628 162 2HD1 LEU 26 2HD1 LEU 26 -14.332 -5.193 -7.477 163 3HD1 LEU 26 3HD1 LEU 26 -12.629 -4.835 -7.630 164 1HD2 LEU 26 1HD2 LEU 26 -12.302 -6.213 -5.433 165 2HD2 LEU 26 2HD2 LEU 26 -14.044 -6.445 -5.398 166 3HD2 LEU 26 3HD2 LEU 26 -13.227 -5.767 -4.003 167 H CYS 27 H CYS 27 -9.924 -2.858 -4.624 168 HA CYS 27 HA CYS 27 -9.188 -0.701 -2.803 169 1HB CYS 27 2HB CYS 27 -7.634 -2.229 -4.866 170 2HB CYS 27 1HB CYS 27 -6.957 -1.078 -3.738 171 HA PRO 28 HA PRO 28 -10.073 2.556 -5.732 172 1HB PRO 28 2HB PRO 28 -8.476 4.483 -4.520 173 2HB PRO 28 1HB PRO 28 -10.095 4.089 -4.048 174 1HG PRO 28 2HG PRO 28 -7.548 3.239 -2.808 175 2HG PRO 28 1HG PRO 28 -9.094 3.640 -2.052 176 1HD PRO 28 2HD PRO 28 -8.221 1.111 -2.380 177 2HD PRO 28 1HD PRO 28 -9.942 1.541 -2.360 178 H ASP 29 H ASP 29 -6.833 2.584 -4.473 179 HA ASP 29 HA ASP 29 -5.619 3.363 -6.997 180 1HB ASP 29 2HB ASP 29 -3.545 3.329 -5.709 181 2HB ASP 29 1HB ASP 29 -4.777 4.146 -4.790 182 H GLY 30 H GLY 30 -3.451 2.102 -7.353 183 1HA GLY 30 2HA GLY 30 -4.042 -0.233 -8.720 184 2HA GLY 30 1HA GLY 30 -2.428 0.283 -8.314 185 H PHE 31 H PHE 31 -3.000 -0.021 -5.359 186 HA PHE 31 HA PHE 31 -1.936 -2.601 -4.982 187 1HB PHE 31 2HB PHE 31 -3.524 -0.820 -3.132 188 2HB PHE 31 1HB PHE 31 -2.649 -2.232 -2.619 189 HD1 PHE 31 HD1 PHE 31 -0.955 -0.616 -5.444 190 HD2 PHE 31 HD2 PHE 31 -1.387 -0.468 -1.179 191 HE1 PHE 31 HE1 PHE 31 1.077 0.608 -5.300 192 HE2 PHE 31 HE2 PHE 31 0.699 0.752 -1.067 193 HZ PHE 31 HZ PHE 31 1.935 1.286 -3.166 194 H GLN 32 H GLN 32 -2.821 -4.279 -3.597 195 HA GLN 32 HA GLN 32 -5.329 -5.323 -4.760 196 1HB GLN 32 2HB GLN 32 -3.060 -6.637 -3.246 197 2HB GLN 32 1HB GLN 32 -4.442 -7.473 -3.909 198 1HG GLN 32 2HG GLN 32 -3.806 -6.705 -6.206 199 2HG GLN 32 1HG GLN 32 -2.429 -5.842 -5.536 200 1HE2 GLN 32 1HE2 GLN 32 -3.556 -8.938 -6.601 201 2HE2 GLN 32 2HE2 GLN 32 -2.161 -9.817 -6.198 202 H LEU 33 H LEU 33 -6.900 -6.334 -3.475 203 HA LEU 33 HA LEU 33 -7.265 -5.062 -0.828 204 1HB LEU 33 2HB LEU 33 -9.141 -5.454 -2.639 205 2HB LEU 33 1HB LEU 33 -9.052 -7.147 -2.224 206 HG LEU 33 HG LEU 33 -9.529 -6.467 0.201 207 1HD1 LEU 33 1HD1 LEU 33 -10.162 -3.799 -1.135 208 2HD1 LEU 33 2HD1 LEU 33 -8.864 -4.079 0.012 209 3HD1 LEU 33 3HD1 LEU 33 -10.531 -4.191 0.532 210 1HD2 LEU 33 1HD2 LEU 33 -11.649 -5.778 -1.865 211 2HD2 LEU 33 2HD2 LEU 33 -11.962 -6.135 -0.179 212 3HD2 LEU 33 3HD2 LEU 33 -11.313 -7.382 -1.231 213 H VAL 34 H VAL 34 -5.539 -6.018 0.224 214 HA VAL 34 HA VAL 34 -5.124 -8.897 0.238 215 HB VAL 34 HB VAL 34 -3.807 -6.678 1.855 216 1HG1 VAL 34 1HG1 VAL 34 -2.924 -9.568 1.419 217 2HG1 VAL 34 2HG1 VAL 34 -1.995 -8.334 2.255 218 3HG1 VAL 34 3HG1 VAL 34 -3.497 -8.913 2.944 219 1HG2 VAL 34 1HG2 VAL 34 -3.472 -6.461 -0.602 220 2HG2 VAL 34 2HG2 VAL 34 -1.977 -6.917 0.187 221 3HG2 VAL 34 3HG2 VAL 34 -2.915 -8.123 -0.679 222 H ALA 35 H ALA 35 -5.351 -6.897 3.137 223 HA ALA 35 HA ALA 35 -6.407 -9.084 4.620 224 1HB ALA 35 1HB ALA 35 -6.159 -7.515 6.559 225 2HB ALA 35 2HB ALA 35 -5.702 -6.255 5.430 226 3HB ALA 35 3HB ALA 35 -4.701 -7.677 5.596 227 H GLN 36 H GLN 36 -8.244 -9.002 3.144 228 HA GLN 36 HA GLN 36 -10.529 -9.018 2.853 229 1HB GLN 36 2HB GLN 36 -10.625 -7.806 5.648 230 2HB GLN 36 1HB GLN 36 -11.982 -8.491 4.790 231 1HG GLN 36 2HG GLN 36 -10.835 -10.698 4.673 232 2HG GLN 36 1HG GLN 36 -9.454 -10.037 5.537 233 1HE2 GLN 36 1HE2 GLN 36 -11.074 -11.709 6.245 234 2HE2 GLN 36 2HE2 GLN 36 -11.569 -12.493 7.127 235 H ARG 37 H ARG 37 -10.172 -5.985 4.685 236 HA ARG 37 HA ARG 37 -11.526 -4.556 2.419 237 1HB ARG 37 2HB ARG 37 -11.642 -3.889 5.382 238 2HB ARG 37 1HB ARG 37 -12.509 -3.064 4.104 239 1HG ARG 37 2HG ARG 37 -12.933 -5.967 4.942 240 2HG ARG 37 1HG ARG 37 -13.990 -4.628 5.329 241 1HD ARG 37 2HD ARG 37 -14.443 -4.274 2.909 242 2HD ARG 37 1HD ARG 37 -13.416 -5.645 2.506 243 HE ARG 37 HE ARG 37 -16.100 -5.761 3.654 244 1HH1 ARG 37 1HH1 ARG 37 -13.093 -7.419 3.174 245 2HH1 ARG 37 2HH1 ARG 37 -13.799 -8.985 3.370 246 1HH2 ARG 37 1HH2 ARG 37 -17.011 -7.734 3.903 247 2HH2 ARG 37 2HH2 ARG 37 -16.050 -9.169 3.788 248 H ARG 38 H ARG 38 -8.699 -4.959 3.987 249 HA ARG 38 HA ARG 38 -7.789 -2.130 3.722 250 1HB ARG 38 2HB ARG 38 -7.355 -3.264 5.875 251 2HB ARG 38 1HB ARG 38 -6.491 -4.532 5.039 252 1HG ARG 38 2HG ARG 38 -4.810 -2.858 4.228 253 2HG ARG 38 1HG ARG 38 -5.685 -1.586 5.058 254 1HD ARG 38 2HD ARG 38 -4.395 -4.013 6.401 255 2HD ARG 38 1HD ARG 38 -3.739 -2.386 6.414 256 HE ARG 38 HE ARG 38 -5.955 -3.375 8.032 257 1HH1 ARG 38 2HH1 ARG 38 -6.554 -0.302 9.391 258 2HH1 ARG 38 1HH1 ARG 38 -6.855 -2.005 9.483 259 1HH2 ARG 38 2HH2 ARG 38 -5.193 0.514 7.731 260 2HH2 ARG 38 1HH2 ARG 38 -4.491 -0.579 6.588 261 H CYS 39 H CYS 39 -6.741 -1.578 2.028 262 HA CYS 39 HA CYS 39 -5.728 -3.583 0.132 263 1HB CYS 39 2HB CYS 39 -6.179 -0.618 -0.112 264 2HB CYS 39 1HB CYS 39 -5.598 -1.635 -1.411 265 H GLU 40 H GLU 40 -3.717 -3.808 -0.544 266 HA GLU 40 HA GLU 40 -1.627 -1.889 0.058 267 1HB GLU 40 2HB GLU 40 -1.896 -3.143 2.224 268 2HB GLU 40 1HB GLU 40 -1.465 -4.620 1.375 269 1HG GLU 40 2HG GLU 40 0.708 -3.608 0.701 270 2HG GLU 40 1HG GLU 40 0.260 -2.103 1.465 271 H ASP 41 H ASP 41 0.364 -2.479 -0.820 272 HA ASP 41 HA ASP 41 0.274 -4.236 -3.194 273 1HB ASP 41 2HB ASP 41 0.663 -1.940 -3.527 274 2HB ASP 41 1HB ASP 41 1.994 -1.875 -2.409 275 H ILE 42 H ILE 42 2.372 -5.061 -3.827 276 HA ILE 42 HA ILE 42 3.386 -6.805 -1.829 277 HB ILE 42 HB ILE 42 3.390 -7.377 -4.287 278 1HG1 ILE 42 2HG1 ILE 42 6.223 -7.321 -3.114 279 2HG1 ILE 42 1HG1 ILE 42 5.012 -8.525 -2.726 280 1HG2 ILE 42 1HG2 ILE 42 5.589 -5.258 -4.493 281 2HG2 ILE 42 2HG2 ILE 42 3.970 -5.101 -5.147 282 3HG2 ILE 42 3HG2 ILE 42 5.063 -6.294 -5.803 283 1HD1 ILE 42 1HD1 ILE 42 6.587 -9.361 -4.434 284 2HD1 ILE 42 2HD1 ILE 42 6.201 -8.026 -5.498 285 3HD1 ILE 42 3HD1 ILE 42 4.975 -9.228 -5.121 286 H ASP 43 H ASP 43 5.757 -6.772 -1.099 287 HA ASP 43 HA ASP 43 6.683 -3.950 -0.670 288 1HB ASP 43 2HB ASP 43 6.123 -5.477 1.293 289 2HB ASP 43 1HB ASP 43 7.485 -6.476 0.827 290 H GLU 44 H GLU 44 8.152 -3.351 -2.016 291 HA GLU 44 HA GLU 44 9.740 -5.151 -3.606 292 1HB GLU 44 2HB GLU 44 10.153 -2.179 -3.169 293 2HB GLU 44 1HB GLU 44 10.736 -3.139 -4.509 294 1HG GLU 44 2HG GLU 44 8.879 -1.864 -5.218 295 2HG GLU 44 1HG GLU 44 8.390 -3.545 -5.256 296 H CYS 45 H CYS 45 10.213 -3.420 -0.593 297 HA CYS 45 HA CYS 45 13.035 -3.527 -0.586 298 1HB CYS 45 2HB CYS 45 11.051 -3.241 1.684 299 2HB CYS 45 1HB CYS 45 12.747 -3.130 1.879 300 H GLN 46 H GLN 46 10.823 -5.159 1.485 301 HA GLN 46 HA GLN 46 12.358 -7.076 2.691 302 1HB GLN 46 2HB GLN 46 9.493 -7.313 1.695 303 2HB GLN 46 1HB GLN 46 10.213 -8.401 2.853 304 1HG GLN 46 2HG GLN 46 9.942 -5.385 3.252 305 2HG GLN 46 1HG GLN 46 8.880 -6.584 3.975 306 1HE2 GLN 46 1HE2 GLN 46 10.041 -8.242 5.420 307 2HE2 GLN 46 2HE2 GLN 46 11.371 -7.694 6.322 308 H ASP 47 H ASP 47 10.809 -7.329 -0.441 309 HA ASP 47 HA ASP 47 11.788 -9.956 -0.960 310 1HB ASP 47 2HB ASP 47 9.656 -9.169 -1.956 311 2HB ASP 47 1HB ASP 47 10.512 -7.897 -2.811 312 HA PRO 48 HA PRO 48 15.741 -8.385 -2.401 313 1HB PRO 48 2HB PRO 48 16.715 -10.625 -3.630 314 2HB PRO 48 1HB PRO 48 16.600 -10.500 -1.893 315 1HG PRO 48 2HG PRO 48 14.712 -11.843 -3.784 316 2HG PRO 48 1HG PRO 48 15.337 -12.417 -2.228 317 1HD PRO 48 2HD PRO 48 12.880 -11.326 -2.504 318 2HD PRO 48 1HD PRO 48 13.833 -11.172 -1.017 319 H ASP 49 H ASP 49 14.711 -6.900 -3.765 320 HA ASP 49 HA ASP 49 15.008 -7.496 -6.651 321 1HB ASP 49 2HB ASP 49 12.621 -7.790 -6.144 322 2HB ASP 49 1HB ASP 49 12.577 -6.239 -5.324 323 H THR 50 H THR 50 14.555 -5.073 -4.140 324 HA THR 50 HA THR 50 15.382 -2.852 -5.789 325 HB THR 50 HB THR 50 15.263 -1.658 -3.503 326 HG1 THR 50 HG1 THR 50 14.431 -4.243 -2.703 327 1HG2 THR 50 1HG2 THR 50 12.918 -3.513 -4.152 328 2HG2 THR 50 2HG2 THR 50 13.190 -1.975 -4.936 329 3HG2 THR 50 3HG2 THR 50 12.818 -2.026 -3.219 330 H CYS 51 H CYS 51 16.960 -2.918 -2.704 331 HA CYS 51 HA CYS 51 19.583 -3.147 -4.085 332 1HB CYS 51 2HB CYS 51 18.630 -1.580 -1.706 333 2HB CYS 51 1HB CYS 51 20.299 -1.701 -2.176 334 H SER 52 H SER 52 21.386 -3.746 -2.624 335 HA SER 52 HA SER 52 21.305 -6.391 -1.887 336 1HB SER 52 2HB SER 52 23.408 -5.119 -2.208 337 2HB SER 52 1HB SER 52 23.118 -4.251 -0.691 338 HG SER 52 HG SER 52 23.185 -7.072 -0.918 339 H GLN 53 H GLN 53 21.384 -3.827 0.542 340 HA GLN 53 HA GLN 53 20.108 -5.735 2.471 341 1HB GLN 53 2HB GLN 53 21.898 -3.349 3.040 342 2HB GLN 53 1HB GLN 53 21.209 -4.441 4.236 343 1HG GLN 53 2HG GLN 53 23.100 -5.263 2.018 344 2HG GLN 53 1HG GLN 53 23.570 -5.020 3.695 345 1HE2 GLN 53 1HE2 GLN 53 22.321 -7.288 1.439 346 2HE2 GLN 53 2HE2 GLN 53 21.941 -8.522 2.541 347 H LEU 54 H LEU 54 20.217 -2.639 3.792 348 HA LEU 54 HA LEU 54 17.475 -2.538 4.074 349 1HB LEU 54 2HB LEU 54 19.605 -0.418 4.345 350 2HB LEU 54 1HB LEU 54 17.920 -0.064 4.653 351 HG LEU 54 HG LEU 54 19.386 -2.213 6.163 352 1HD1 LEU 54 1HD1 LEU 54 18.382 0.577 6.843 353 2HD1 LEU 54 2HD1 LEU 54 20.073 0.155 6.642 354 3HD1 LEU 54 3HD1 LEU 54 19.153 -0.541 7.969 355 1HD2 LEU 54 1HD2 LEU 54 16.845 -2.462 5.890 356 2HD2 LEU 54 2HD2 LEU 54 16.686 -0.812 6.464 357 3HD2 LEU 54 3HD2 LEU 54 17.321 -2.062 7.530 358 H CYS 55 H CYS 55 16.103 -1.114 3.811 359 HA CYS 55 HA CYS 55 15.838 0.630 1.488 360 1HB CYS 55 2HB CYS 55 15.645 -1.604 0.461 361 2HB CYS 55 1HB CYS 55 14.457 -2.078 1.597 362 H VAL 56 H VAL 56 13.209 0.986 1.326 363 HA VAL 56 HA VAL 56 11.862 1.002 3.913 364 HB VAL 56 HB VAL 56 13.337 2.946 4.214 365 1HG1 VAL 56 1HG1 VAL 56 13.873 3.522 1.874 366 2HG1 VAL 56 2HG1 VAL 56 13.304 4.927 2.746 367 3HG1 VAL 56 3HG1 VAL 56 12.246 4.121 1.611 368 1HG2 VAL 56 1HG2 VAL 56 10.499 3.842 3.590 369 2HG2 VAL 56 2HG2 VAL 56 11.652 4.735 4.566 370 3HG2 VAL 56 3HG2 VAL 56 11.069 3.171 5.108 371 H ASN 57 H ASN 57 10.230 0.001 3.055 372 HA ASN 57 HA ASN 57 8.945 0.763 0.543 373 1HB ASN 57 2HB ASN 57 9.236 -1.616 1.150 374 2HB ASN 57 1HB ASN 57 8.246 -1.362 2.579 375 1HD2 ASN 57 1HD2 ASN 57 6.364 -2.514 2.175 376 2HD2 ASN 57 2HD2 ASN 57 5.419 -2.352 0.774 377 H LEU 58 H LEU 58 6.787 0.966 0.322 378 HA LEU 58 HA LEU 58 4.761 1.671 2.193 379 1HB LEU 58 2HB LEU 58 4.592 4.101 1.892 380 2HB LEU 58 1HB LEU 58 6.116 3.715 2.608 381 HG LEU 58 HG LEU 58 5.869 4.278 -0.376 382 1HD1 LEU 58 1HD1 LEU 58 6.692 6.558 0.216 383 2HD1 LEU 58 2HD1 LEU 58 6.642 6.156 1.925 384 3HD1 LEU 58 3HD1 LEU 58 5.152 6.267 1.003 385 1HD2 LEU 58 1HD2 LEU 58 8.297 4.709 -0.099 386 2HD2 LEU 58 2HD2 LEU 58 7.915 3.079 0.395 387 3HD2 LEU 58 3HD2 LEU 58 8.189 4.323 1.603 388 H GLU 59 H GLU 59 3.595 3.614 0.518 389 HA GLU 59 HA GLU 59 2.407 1.827 -1.383 390 1HB GLU 59 2HB GLU 59 1.076 3.640 -0.165 391 2HB GLU 59 1HB GLU 59 1.945 4.852 -1.081 392 1HG GLU 59 2HG GLU 59 0.865 3.828 -3.254 393 2HG GLU 59 1HG GLU 59 -0.068 2.805 -2.203 394 H GLY 60 H GLY 60 4.090 1.239 -2.607 395 1HA GLY 60 2HA GLY 60 5.327 1.130 -4.514 396 2HA GLY 60 1HA GLY 60 4.185 2.294 -5.157 397 H GLY 61 H GLY 61 5.352 3.756 -2.562 398 1HA GLY 61 2HA GLY 61 7.241 5.430 -4.088 399 2HA GLY 61 1HA GLY 61 6.639 5.742 -2.458 400 H TYR 62 H TYR 62 7.595 2.661 -2.596 401 HA TYR 62 HA TYR 62 9.567 2.629 -0.702 402 1HB TYR 62 2HB TYR 62 10.238 0.425 -1.488 403 2HB TYR 62 1HB TYR 62 8.518 0.602 -1.792 404 HD1 TYR 62 HD1 TYR 62 7.745 1.190 -4.168 405 HD2 TYR 62 HD2 TYR 62 11.783 0.201 -3.267 406 HE1 TYR 62 HE1 TYR 62 8.199 0.832 -6.548 407 HE2 TYR 62 HE2 TYR 62 12.239 -0.157 -5.633 408 HH TYR 62 HH TYR 62 10.713 -0.824 -7.714 409 H LYS 63 H LYS 63 11.726 2.973 -0.462 410 HA LYS 63 HA LYS 63 13.348 3.546 -2.856 411 1HB LYS 63 2HB LYS 63 13.389 5.064 -0.253 412 2HB LYS 63 1HB LYS 63 14.365 5.317 -1.649 413 1HG LYS 63 2HG LYS 63 12.339 5.926 -3.002 414 2HG LYS 63 1HG LYS 63 11.362 5.678 -1.561 415 1HD LYS 63 2HD LYS 63 12.548 7.477 -0.377 416 2HD LYS 63 1HD LYS 63 13.565 7.749 -1.783 417 1HE LYS 63 2HE LYS 63 11.550 8.319 -3.137 418 2HE LYS 63 1HE LYS 63 10.527 8.037 -1.733 419 1HZ LYS 63 1HZ LYS 63 11.630 10.393 -2.425 420 2HZ LYS 63 2HZ LYS 63 12.692 9.845 -1.219 421 3HZ LYS 63 3HZ LYS 63 11.035 10.000 -0.884 422 H CYS 64 H CYS 64 15.542 3.242 -2.464 423 HA CYS 64 HA CYS 64 16.115 1.016 -0.656 424 1HB CYS 64 2HB CYS 64 17.788 2.527 -2.628 425 2HB CYS 64 1HB CYS 64 18.427 1.279 -1.631 426 H GLN 65 H GLN 65 18.041 0.999 0.544 427 HA GLN 65 HA GLN 65 19.146 3.481 1.701 428 1HB GLN 65 2HB GLN 65 17.956 1.335 3.436 429 2HB GLN 65 1HB GLN 65 18.693 2.800 4.008 430 1HG GLN 65 2HG GLN 65 16.890 4.160 2.911 431 2HG GLN 65 1HG GLN 65 16.060 2.672 2.483 432 1HE2 GLN 65 1HE2 GLN 65 16.601 1.212 4.956 433 2HE2 GLN 65 2HE2 GLN 65 15.714 1.977 6.184 434 H CYS 66 H CYS 66 20.591 2.272 3.694 435 HA CYS 66 HA CYS 66 22.030 0.013 2.457 436 1HB CYS 66 2HB CYS 66 23.321 2.444 3.597 437 2HB CYS 66 1HB CYS 66 24.052 1.095 2.977 438 H GLU 67 H GLU 67 23.271 -1.139 3.833 439 HA GLU 67 HA GLU 67 22.329 -1.201 6.637 440 1HB GLU 67 2HB GLU 67 22.596 -3.272 5.167 441 2HB GLU 67 1HB GLU 67 24.322 -3.063 5.237 442 1HG GLU 67 2HG GLU 67 22.467 -3.577 7.609 443 2HG GLU 67 1HG GLU 67 23.537 -4.751 6.884 444 H GLU 68 H GLU 68 23.301 0.851 7.077 445 HA GLU 68 HA GLU 68 24.904 2.312 7.867 446 1HB GLU 68 2HB GLU 68 25.944 -0.323 8.978 447 2HB GLU 68 1HB GLU 68 26.439 1.254 9.553 448 1HG GLU 68 2HG GLU 68 24.059 1.767 10.149 449 2HG GLU 68 1HG GLU 68 23.568 0.190 9.552 450 H GLY 69 H GLY 69 27.146 -0.338 7.466 451 1HA GLY 69 2HA GLY 69 29.319 1.186 6.591 452 2HA GLY 69 1HA GLY 69 29.195 -0.558 6.450 453 H PHE 70 H PHE 70 26.665 -0.164 4.785 454 HA PHE 70 HA PHE 70 28.006 -0.176 2.290 455 1HB PHE 70 2HB PHE 70 25.155 -0.351 3.150 456 2HB PHE 70 1HB PHE 70 25.541 -0.321 1.435 457 HD1 PHE 70 HD1 PHE 70 27.503 -2.124 4.085 458 HD2 PHE 70 HD2 PHE 70 24.659 -2.470 0.932 459 HE1 PHE 70 HE1 PHE 70 27.695 -4.553 4.189 460 HE2 PHE 70 HE2 PHE 70 24.871 -4.903 1.035 461 HZ PHE 70 HZ PHE 70 26.381 -5.958 2.656 462 H GLN 71 H GLN 71 27.501 1.204 0.501 463 HA GLN 71 HA GLN 71 26.528 3.887 1.139 464 1HB GLN 71 2HB GLN 71 29.176 3.002 0.069 465 2HB GLN 71 1HB GLN 71 28.541 4.479 -0.561 466 1HG GLN 71 2HG GLN 71 28.919 3.870 2.420 467 2HG GLN 71 1HG GLN 71 30.002 4.873 1.456 468 1HE2 GLN 71 1HE2 GLN 71 28.674 6.010 3.664 469 2HE2 GLN 71 2HE2 GLN 71 27.507 7.117 3.118 470 H LEU 72 H LEU 72 26.537 5.228 -0.787 471 HA LEU 72 HA LEU 72 24.675 3.966 -2.677 472 1HB LEU 72 2HB LEU 72 24.335 6.295 -1.840 473 2HB LEU 72 1HB LEU 72 25.795 6.794 -2.670 474 HG LEU 72 HG LEU 72 24.755 5.947 -4.838 475 1HD1 LEU 72 1HD1 LEU 72 22.308 5.596 -4.901 476 2HD1 LEU 72 2HD1 LEU 72 22.235 5.725 -3.153 477 3HD1 LEU 72 3HD1 LEU 72 23.085 4.384 -3.903 478 1HD2 LEU 72 1HD2 LEU 72 24.699 8.355 -4.232 479 2HD2 LEU 72 2HD2 LEU 72 23.204 8.104 -3.341 480 3HD2 LEU 72 3HD2 LEU 72 23.231 7.904 -5.088 481 H ASP 73 H ASP 73 25.674 2.614 -3.993 482 HA ASP 73 HA ASP 73 28.265 3.102 -5.220 483 1HB ASP 73 2HB ASP 73 27.404 0.789 -4.779 484 2HB ASP 73 1HB ASP 73 26.133 1.035 -5.965 485 HA PRO 74 HA PRO 74 26.478 5.596 -8.503 486 1HB PRO 74 2HB PRO 74 28.661 5.993 -10.017 487 2HB PRO 74 1HB PRO 74 28.528 6.706 -8.427 488 1HG PRO 74 2HG PRO 74 29.962 4.196 -9.209 489 2HG PRO 74 1HG PRO 74 30.522 5.540 -8.199 490 1HD PRO 74 2HD PRO 74 29.551 3.237 -7.158 491 2HD PRO 74 1HD PRO 74 29.376 4.803 -6.345 492 H HIS 75 H HIS 75 26.237 5.575 -10.814 493 HA HIS 75 HA HIS 75 25.597 4.599 -12.827 494 1HB HIS 75 2HB HIS 75 27.656 2.457 -12.104 495 2HB HIS 75 1HB HIS 75 26.975 2.747 -13.695 496 HD1 HIS 75 HD1 HIS 75 29.262 4.344 -11.246 497 HD2 HIS 75 HD2 HIS 75 28.083 4.920 -15.112 498 HE1 HIS 75 HE1 HIS 75 30.770 6.058 -12.183 499 H THR 76 H THR 76 24.937 3.348 -9.973 500 HA THR 76 HA THR 76 22.951 1.389 -10.995 501 HB THR 76 HB THR 76 23.498 -0.105 -9.010 502 HG1 THR 76 HG1 THR 76 25.655 1.709 -8.800 503 1HG2 THR 76 1HG2 THR 76 25.702 -0.970 -9.821 504 2HG2 THR 76 2HG2 THR 76 26.029 0.537 -10.658 505 3HG2 THR 76 3HG2 THR 76 24.764 -0.534 -11.241 506 H LYS 77 H LYS 77 24.144 3.344 -8.471 507 HA LYS 77 HA LYS 77 23.171 4.676 -6.814 508 1HB LYS 77 2HB LYS 77 20.710 4.128 -8.304 509 2HB LYS 77 1HB LYS 77 20.838 5.351 -7.070 510 1HG LYS 77 2HG LYS 77 22.646 6.472 -8.419 511 2HG LYS 77 1HG LYS 77 22.413 5.284 -9.693 512 1HD LYS 77 2HD LYS 77 20.043 6.009 -9.938 513 2HD LYS 77 1HD LYS 77 20.272 7.197 -8.666 514 1HE LYS 77 2HE LYS 77 22.032 8.319 -10.032 515 2HE LYS 77 1HE LYS 77 21.793 7.132 -11.309 516 1HZ LYS 77 1HZ LYS 77 19.399 7.858 -11.282 517 2HZ LYS 77 2HZ LYS 77 20.525 8.965 -11.908 518 3HZ LYS 77 3HZ LYS 77 19.903 9.178 -10.342 519 H ALA 78 H ALA 78 23.179 1.625 -6.918 520 HA ALA 78 HA ALA 78 21.121 0.943 -4.889 521 1HB ALA 78 1HB ALA 78 21.365 -0.544 -6.870 522 2HB ALA 78 2HB ALA 78 21.793 -1.400 -5.395 523 3HB ALA 78 3HB ALA 78 23.055 -0.806 -6.464 524 H CYS 79 H CYS 79 21.762 -0.102 -2.936 525 HA CYS 79 HA CYS 79 24.336 0.887 -1.931 526 1HB CYS 79 2HB CYS 79 22.003 -0.362 -0.557 527 2HB CYS 79 1HB CYS 79 23.480 0.012 0.274 528 H LYS 80 H LYS 80 25.922 -0.161 -1.104 529 HA LYS 80 HA LYS 80 25.962 -3.040 -0.625 530 1HB LYS 80 2HB LYS 80 27.766 -3.483 -1.949 531 2HB LYS 80 1HB LYS 80 26.379 -3.133 -2.983 532 1HG LYS 80 2HG LYS 80 27.272 -0.746 -3.253 533 2HG LYS 80 1HG LYS 80 28.734 -1.231 -2.421 534 1HD LYS 80 2HD LYS 80 27.736 -2.416 -5.037 535 2HD LYS 80 1HD LYS 80 29.050 -1.272 -4.863 536 1HE LYS 80 2HE LYS 80 30.324 -2.917 -3.495 537 2HE LYS 80 1HE LYS 80 29.021 -4.084 -3.688 538 1HZ LYS 80 1HZ LYS 80 30.959 -4.237 -5.265 539 2HZ LYS 80 2HZ LYS 80 29.404 -4.263 -5.948 540 3HZ LYS 80 3HZ LYS 80 30.336 -2.845 -6.012 541 H ALA 81 H ALA 81 28.022 -3.668 0.387 542 HA ALA 81 HA ALA 81 29.050 -2.023 2.367 543 1HB ALA 81 1HB ALA 81 29.500 -4.445 2.230 544 2HB ALA 81 2HB ALA 81 31.001 -3.557 2.432 545 3HB ALA 81 3HB ALA 81 30.556 -4.185 0.851 546 H VAL 82 H VAL 82 30.115 -0.173 2.368 547 HA VAL 82 HA VAL 82 31.058 1.235 0.201 548 HB VAL 82 HB VAL 82 30.714 2.194 2.453 549 1HG1 VAL 82 1HG1 VAL 82 32.425 1.894 4.237 550 2HG1 VAL 82 2HG1 VAL 82 33.315 0.776 3.219 551 3HG1 VAL 82 3HG1 VAL 82 31.729 0.343 3.812 552 1HG2 VAL 82 1HG2 VAL 82 33.544 2.661 1.433 553 2HG2 VAL 82 2HG2 VAL 82 32.661 3.720 2.520 554 3HG2 VAL 82 3HG2 VAL 82 32.094 3.483 0.875
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