NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5613 | 1hpk | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H CYS 1 HT1 CYS 1 -8.326 1.740 2.217 2 2H CYS 1 HT3 CYS 1 -9.817 2.492 1.910 3 3H CYS 1 HT2 CYS 1 -8.977 2.829 3.347 4 HA CYS 1 HA CYS 1 -9.383 0.741 4.249 5 1HB CYS 1 HB2 CYS 1 -11.360 2.170 4.326 6 2HB CYS 1 HB1 CYS 1 -11.788 1.748 2.693 7 H LYS 2 HN LYS 2 -10.853 -1.288 3.828 8 HA LYS 2 HA LYS 2 -9.762 -2.585 1.349 9 1HB LYS 2 HB2 LYS 2 -10.596 -4.672 2.678 10 2HB LYS 2 HB1 LYS 2 -9.200 -3.814 3.333 11 1HG LYS 2 HG2 LYS 2 -10.382 -2.985 5.130 12 2HG LYS 2 HG1 LYS 2 -11.868 -2.813 4.203 13 1HD LYS 2 HD2 LYS 2 -12.206 -5.260 4.275 14 2HD LYS 2 HD1 LYS 2 -10.710 -5.445 5.183 15 1HE LYS 2 HE2 LYS 2 -12.311 -5.409 6.895 16 2HE LYS 2 HE1 LYS 2 -11.810 -3.724 6.835 17 1HZ LYS 2 HZ2 LYS 2 -13.848 -4.063 4.971 18 2HZ LYS 2 HZ1 LYS 2 -14.359 -4.806 6.410 19 3HZ LYS 2 HZ3 LYS 2 -13.888 -3.174 6.417 20 H THR 3 HN THR 3 -11.503 -1.545 0.052 21 HA THR 3 HA THR 3 -14.255 -2.413 0.590 22 HB THR 3 HB THR 3 -13.376 -1.437 -2.159 23 HG1 THR 3 HG1 THR 3 -13.716 0.386 -0.064 24 1HG2 THR 3 HG21 THR 3 -15.543 -0.542 -0.170 25 2HG2 THR 3 HG23 THR 3 -15.397 0.013 -1.835 26 3HG2 THR 3 HG22 THR 3 -15.834 -1.660 -1.500 27 H GLY 4 HN GLY 4 -12.361 -4.361 0.544 28 1HA GLY 4 HA2 GLY 4 -13.125 -6.612 -0.284 29 2HA GLY 4 HA1 GLY 4 -12.800 -5.908 -1.865 30 H ASN 5 HN ASN 5 -11.416 -7.586 0.672 31 HA ASN 5 HA ASN 5 -8.731 -6.500 0.381 32 1HB ASN 5 HB2 ASN 5 -10.086 -8.584 2.044 33 2HB ASN 5 HB1 ASN 5 -8.424 -8.981 1.625 34 1HD2 ASN 5 HD22 ASN 5 -7.803 -7.061 4.606 35 2HD2 ASN 5 HD21 ASN 5 -8.104 -8.641 4.059 36 H GLY 6 HN GLY 6 -9.275 -6.744 -1.922 37 1HA GLY 6 HA2 GLY 6 -7.827 -7.751 -3.685 38 2HA GLY 6 HA1 GLY 6 -8.092 -9.313 -2.922 39 H LYS 7 HN LYS 7 -10.362 -6.702 -3.746 40 HA LYS 7 HA LYS 7 -11.564 -8.345 -5.807 41 1HB LYS 7 HB2 LYS 7 -12.494 -8.851 -3.341 42 2HB LYS 7 HB1 LYS 7 -13.452 -7.411 -3.664 43 1HG LYS 7 HG2 LYS 7 -13.912 -8.628 -5.977 44 2HG LYS 7 HG1 LYS 7 -13.500 -10.070 -5.056 45 1HD LYS 7 HD2 LYS 7 -15.166 -8.974 -3.280 46 2HD LYS 7 HD1 LYS 7 -15.817 -8.202 -4.721 47 1HE LYS 7 HE2 LYS 7 -17.047 -10.189 -4.675 48 2HE LYS 7 HE1 LYS 7 -15.709 -10.639 -5.724 49 1HZ LYS 7 HZ1 LYS 7 -14.591 -11.369 -3.554 50 2HZ LYS 7 HZ3 LYS 7 -16.160 -11.343 -2.902 51 3HZ LYS 7 HZ2 LYS 7 -15.803 -12.358 -4.217 52 H ASN 8 HN ASN 8 -12.129 -5.439 -3.780 53 HA ASN 8 HA ASN 8 -12.457 -3.915 -6.312 54 1HB ASN 8 HB2 ASN 8 -14.609 -4.322 -4.207 55 2HB ASN 8 HB1 ASN 8 -14.599 -2.865 -5.197 56 1HD2 ASN 8 HD22 ASN 8 -15.302 -4.670 -8.246 57 2HD2 ASN 8 HD21 ASN 8 -14.443 -3.328 -7.663 58 H TYR 9 HN TYR 9 -12.013 -1.747 -6.149 59 HA TYR 9 HA TYR 9 -11.867 -0.274 -3.700 60 1HB TYR 9 HB2 TYR 9 -9.142 -0.221 -4.087 61 2HB TYR 9 HB1 TYR 9 -9.933 -1.280 -2.922 62 HD1 TYR 9 HD2 TYR 9 -9.282 -1.225 -6.617 63 HD2 TYR 9 HD1 TYR 9 -9.331 -3.534 -3.045 64 HE1 TYR 9 HE2 TYR 9 -8.510 -3.184 -7.872 65 HE2 TYR 9 HE1 TYR 9 -8.569 -5.491 -4.300 66 HH TYR 9 HH TYR 9 -8.669 -6.290 -6.711 67 H ARG 10 HN ARG 10 -10.262 1.699 -4.032 68 HA ARG 10 HA ARG 10 -10.182 2.489 -6.899 69 1HB ARG 10 HB2 ARG 10 -11.587 4.027 -4.656 70 2HB ARG 10 HB1 ARG 10 -11.221 4.731 -6.224 71 1HG ARG 10 HG2 ARG 10 -13.319 3.965 -6.750 72 2HG ARG 10 HG1 ARG 10 -12.477 2.448 -7.023 73 1HD ARG 10 HD2 ARG 10 -12.863 2.080 -4.444 74 2HD ARG 10 HD1 ARG 10 -14.126 3.291 -4.655 75 HE ARG 10 HE ARG 10 -14.215 0.555 -5.636 76 1HH1 ARG 10 HH21 ARG 10 -14.464 2.793 -7.820 77 2HH1 ARG 10 HH22 ARG 10 -16.187 2.853 -7.983 78 1HH2 ARG 10 HH11 ARG 10 -16.731 1.024 -5.043 79 2HH2 ARG 10 HH12 ARG 10 -17.505 1.825 -6.369 80 H GLY 11 HN GLY 11 -9.590 3.797 -3.618 81 1HA GLY 11 HA2 GLY 11 -7.463 5.534 -4.468 82 2HA GLY 11 HA1 GLY 11 -7.747 5.042 -2.812 83 H THR 12 HN THR 12 -7.438 2.364 -4.851 84 HA THR 12 HA THR 12 -4.884 1.623 -3.613 85 HB THR 12 HB THR 12 -6.654 -0.078 -4.252 86 HG1 THR 12 HG1 THR 12 -4.250 -0.258 -5.717 87 1HG2 THR 12 HG21 THR 12 -7.102 1.132 -6.566 88 2HG2 THR 12 HG23 THR 12 -5.632 0.321 -7.094 89 3HG2 THR 12 HG22 THR 12 -7.020 -0.626 -6.580 90 H MET 13 HN MET 13 -5.710 3.578 -6.185 91 HA MET 13 HA MET 13 -3.977 2.974 -8.243 92 1HB MET 13 HB2 MET 13 -4.680 5.609 -6.931 93 2HB MET 13 HB1 MET 13 -3.583 5.565 -8.306 94 1HG MET 13 HG2 MET 13 -5.218 4.961 -9.777 95 2HG MET 13 HG1 MET 13 -6.078 4.007 -8.598 96 1HE MET 13 HE3 MET 13 -8.377 4.411 -8.896 97 2HE MET 13 HE2 MET 13 -9.094 5.926 -9.444 98 3HE MET 13 HE1 MET 13 -7.915 5.091 -10.456 99 H SER 14 HN SER 14 -3.083 5.298 -5.888 100 HA SER 14 HA SER 14 -0.833 3.989 -4.821 101 1HB SER 14 HB2 SER 14 0.898 5.446 -6.180 102 2HB SER 14 HB1 SER 14 0.226 3.992 -6.931 103 HG SER 14 HG SER 14 -0.927 5.185 -8.239 104 H LYS 15 HN LYS 15 -2.473 5.338 -3.483 105 HA LYS 15 HA LYS 15 -1.020 7.817 -2.718 106 1HB LYS 15 HB2 LYS 15 -3.995 7.879 -2.433 107 2HB LYS 15 HB1 LYS 15 -2.903 9.158 -2.951 108 1HG LYS 15 HG2 LYS 15 -2.673 8.000 -5.164 109 2HG LYS 15 HG1 LYS 15 -3.885 6.835 -4.640 110 1HD LYS 15 HD2 LYS 15 -5.267 8.358 -5.697 111 2HD LYS 15 HD1 LYS 15 -5.252 9.063 -4.085 112 1HE LYS 15 HE2 LYS 15 -3.095 10.306 -4.987 113 2HE LYS 15 HE1 LYS 15 -3.804 9.960 -6.559 114 1HZ LYS 15 HZ2 LYS 15 -5.754 10.963 -4.757 115 2HZ LYS 15 HZ1 LYS 15 -4.443 12.035 -4.885 116 3HZ LYS 15 HZ3 LYS 15 -5.286 11.555 -6.279 117 H THR 16 HN THR 16 -0.976 8.108 -0.448 118 HA THR 16 HA THR 16 -1.700 5.728 1.008 119 HB THR 16 HB THR 16 -0.879 8.034 2.681 120 HG1 THR 16 HG1 THR 16 0.297 7.253 0.241 121 1HG2 THR 16 HG22 THR 16 0.449 5.394 1.830 122 2HG2 THR 16 HG21 THR 16 1.069 6.466 3.079 123 3HG2 THR 16 HG23 THR 16 -0.445 5.630 3.310 124 H LYS 17 HN LYS 17 -2.849 5.969 3.234 125 HA LYS 17 HA LYS 17 -5.474 6.061 3.294 126 1HB LYS 17 HB2 LYS 17 -4.304 5.869 5.464 127 2HB LYS 17 HB1 LYS 17 -3.812 7.578 5.356 128 1HG LYS 17 HG2 LYS 17 -5.978 8.381 5.737 129 2HG LYS 17 HG1 LYS 17 -6.729 6.871 5.233 130 1HD LYS 17 HD2 LYS 17 -6.381 5.858 7.275 131 2HD LYS 17 HD1 LYS 17 -4.887 6.738 7.574 132 1HE LYS 17 HE2 LYS 17 -6.047 8.698 8.254 133 2HE LYS 17 HE1 LYS 17 -7.562 8.144 7.552 134 1HZ LYS 17 HZ1 LYS 17 -6.384 6.462 9.612 135 2HZ LYS 17 HZ3 LYS 17 -7.021 7.952 10.120 136 3HZ LYS 17 HZ2 LYS 17 -8.012 6.837 9.310 137 H ASN 18 HN ASN 18 -3.775 9.178 3.344 138 HA ASN 18 HA ASN 18 -6.402 10.506 3.049 139 1HB ASN 18 HB2 ASN 18 -3.731 11.247 3.802 140 2HB ASN 18 HB1 ASN 18 -4.266 12.181 2.409 141 1HD2 ASN 18 HD22 ASN 18 -6.809 12.414 5.632 142 2HD2 ASN 18 HD21 ASN 18 -6.253 10.900 5.102 143 H GLY 19 HN GLY 19 -3.373 10.380 1.321 144 1HA GLY 19 HA2 GLY 19 -4.191 9.794 -1.168 145 2HA GLY 19 HA1 GLY 19 -4.462 11.509 -1.034 146 H ILE 20 HN ILE 20 -1.864 9.914 0.694 147 HA ILE 20 HA ILE 20 0.051 11.681 -0.649 148 HB ILE 20 HB ILE 20 0.087 9.784 1.627 149 1HG1 ILE 20 HG12 ILE 20 1.039 12.584 1.255 150 2HG1 ILE 20 HG11 ILE 20 -0.526 12.075 1.894 151 1HG2 ILE 20 HG22 ILE 20 2.581 10.779 0.177 152 2HG2 ILE 20 HG21 ILE 20 2.647 10.152 1.825 153 3HG2 ILE 20 HG23 ILE 20 2.192 9.096 0.498 154 1HD1 ILE 20 HD12 ILE 20 1.106 10.640 3.524 155 2HD1 ILE 20 HD11 ILE 20 2.171 11.999 3.184 156 3HD1 ILE 20 HD13 ILE 20 0.592 12.278 3.909 157 H THR 21 HN THR 21 0.835 11.242 -2.568 158 HA THR 21 HA THR 21 0.723 9.061 -4.128 159 HB THR 21 HB THR 21 3.423 10.427 -4.050 160 HG1 THR 21 HG1 THR 21 2.322 12.293 -4.811 161 1HG2 THR 21 HG22 THR 21 1.246 10.087 -6.195 162 2HG2 THR 21 HG21 THR 21 2.865 10.722 -6.477 163 3HG2 THR 21 HG23 THR 21 2.645 9.029 -6.043 164 H CYS 22 HN CYS 22 0.976 7.022 -3.425 165 HA CYS 22 HA CYS 22 2.911 6.134 -1.541 166 1HB CYS 22 HB2 CYS 22 1.004 4.917 -3.476 167 2HB CYS 22 HB1 CYS 22 2.313 3.877 -3.041 168 H GLN 23 HN GLN 23 4.032 3.832 -2.935 169 HA GLN 23 HA GLN 23 6.189 5.186 -4.498 170 1HB GLN 23 HB2 GLN 23 7.489 3.070 -3.750 171 2HB GLN 23 HB1 GLN 23 7.194 4.288 -2.566 172 1HG GLN 23 HG2 GLN 23 5.064 2.872 -2.016 173 2HG GLN 23 HG1 GLN 23 5.871 1.610 -2.912 174 1HE2 GLN 23 HE22 GLN 23 7.997 3.081 0.320 175 2HE2 GLN 23 HE21 GLN 23 7.272 4.149 -0.761 176 H LYS 24 HN LYS 24 7.574 3.121 -5.521 177 HA LYS 24 HA LYS 24 5.612 1.801 -7.353 178 1HB LYS 24 HB2 LYS 24 8.000 1.727 -8.654 179 2HB LYS 24 HB1 LYS 24 6.849 3.036 -8.855 180 1HG LYS 24 HG2 LYS 24 7.998 4.411 -7.272 181 2HG LYS 24 HG1 LYS 24 8.941 3.053 -6.672 182 1HD LYS 24 HD2 LYS 24 10.216 4.589 -8.224 183 2HD LYS 24 HD1 LYS 24 10.190 2.905 -8.733 184 1HE LYS 24 HE2 LYS 24 8.085 4.833 -9.710 185 2HE LYS 24 HE1 LYS 24 9.651 4.742 -10.506 186 1HZ LYS 24 HZ3 LYS 24 8.847 2.138 -10.196 187 2HZ LYS 24 HZ2 LYS 24 7.445 2.966 -10.677 188 3HZ LYS 24 HZ1 LYS 24 8.846 3.040 -11.634 189 H TRP 25 HN TRP 25 7.272 1.182 -4.816 190 HA TRP 25 HA TRP 25 8.139 -0.730 -3.803 191 1HB TRP 25 HB2 TRP 25 7.440 -2.278 -6.341 192 2HB TRP 25 HB1 TRP 25 7.686 -2.942 -4.745 193 HD1 TRP 25 HD1 TRP 25 5.054 -3.026 -6.848 194 HE1 TRP 25 HE1 TRP 25 2.820 -2.742 -5.683 195 HE3 TRP 25 HE3 TRP 25 6.511 -0.791 -2.552 196 HZ2 TRP 25 HZ2 TRP 25 1.774 -1.694 -3.239 197 HZ3 TRP 25 HZ3 TRP 25 4.910 -0.141 -0.857 198 HH2 TRP 25 HH2 TRP 25 2.529 -0.586 -1.191 199 H SER 26 HN SER 26 9.786 0.981 -5.086 200 HA SER 26 HA SER 26 11.676 -0.512 -6.720 201 1HB SER 26 HB2 SER 26 11.093 2.220 -6.313 202 2HB SER 26 HB1 SER 26 12.669 2.022 -5.510 203 HG SER 26 HG SER 26 13.486 1.101 -7.354 204 H SER 27 HN SER 27 12.565 1.393 -3.819 205 HA SER 27 HA SER 27 13.115 -0.698 -2.078 206 1HB SER 27 HB2 SER 27 15.067 -0.519 -4.321 207 2HB SER 27 HB1 SER 27 15.810 -0.618 -2.713 208 HG SER 27 HG SER 27 13.582 -2.205 -3.129 209 H THR 28 HN THR 28 14.892 -0.394 -0.575 210 HA THR 28 HA THR 28 14.601 2.111 0.705 211 HB THR 28 HB THR 28 16.149 -0.405 1.126 212 HG1 THR 28 HG1 THR 28 14.623 -0.307 2.571 213 1HG2 THR 28 HG22 THR 28 16.842 2.291 2.453 214 2HG2 THR 28 HG21 THR 28 17.440 0.729 2.991 215 3HG2 THR 28 HG23 THR 28 17.991 1.366 1.425 216 H SER 29 HN SER 29 16.795 1.373 -1.853 217 HA SER 29 HA SER 29 18.859 2.996 -0.683 218 1HB SER 29 HB2 SER 29 19.247 3.248 -3.407 219 2HB SER 29 HB1 SER 29 19.810 1.901 -2.400 220 HG SER 29 HG SER 29 18.554 0.882 -3.830 221 HA PRO 30 HA PRO 30 16.795 6.510 -2.674 222 1HB PRO 30 HB2 PRO 30 14.142 5.967 -3.640 223 2HB PRO 30 HB1 PRO 30 15.504 6.471 -4.649 224 1HG PRO 30 HG2 PRO 30 14.299 3.800 -4.426 225 2HG PRO 30 HG1 PRO 30 15.502 4.362 -5.586 226 1HD PRO 30 HD1 PRO 30 15.961 2.646 -3.348 227 2HD PRO 30 HD2 PRO 30 17.175 3.393 -4.401 228 H HIS 31 HN HIS 31 14.103 4.397 -2.273 229 HA HIS 31 HA HIS 31 13.927 4.281 0.504 230 1HB HIS 31 HB2 HIS 31 13.453 6.817 0.235 231 2HB HIS 31 HB1 HIS 31 11.903 6.312 -0.451 232 HD1 HIS 31 HD1 HIS 31 13.472 6.719 2.704 233 HD2 HIS 31 HD2 HIS 31 10.595 4.277 1.290 234 HE1 HIS 31 HE1 HIS 31 12.422 5.757 4.653 235 H ARG 32 HN ARG 32 12.854 2.482 0.711 236 HA ARG 32 HA ARG 32 10.209 1.988 0.224 237 1HB ARG 32 HB2 ARG 32 11.833 1.827 -2.243 238 2HB ARG 32 HB1 ARG 32 10.810 0.456 -2.027 239 1HG ARG 32 HG2 ARG 32 8.923 1.640 -2.519 240 2HG ARG 32 HG1 ARG 32 9.415 3.023 -1.585 241 1HD ARG 32 HD2 ARG 32 9.730 2.528 -4.484 242 2HD ARG 32 HD1 ARG 32 9.520 4.027 -3.645 243 HE ARG 32 HE ARG 32 12.188 2.751 -3.591 244 1HH1 ARG 32 HH21 ARG 32 11.368 5.526 -2.542 245 2HH1 ARG 32 HH22 ARG 32 11.989 6.543 -3.796 246 1HH2 ARG 32 HH11 ARG 32 12.396 3.882 -6.038 247 2HH2 ARG 32 HH12 ARG 32 12.584 5.591 -5.825 248 HA PRO 33 HA PRO 33 11.902 -1.593 2.381 249 1HB PRO 33 HB2 PRO 33 9.456 -3.127 2.122 250 2HB PRO 33 HB1 PRO 33 10.034 -2.258 3.542 251 1HG PRO 33 HG2 PRO 33 7.869 -1.525 1.741 252 2HG PRO 33 HG1 PRO 33 8.369 -0.718 3.228 253 1HD PRO 33 HD1 PRO 33 8.765 0.198 0.550 254 2HD PRO 33 HD2 PRO 33 9.367 0.941 2.039 255 H ARG 34 HN ARG 34 11.153 -4.221 2.007 256 HA ARG 34 HA ARG 34 11.884 -4.783 -0.838 257 1HB ARG 34 HB2 ARG 34 13.023 -6.871 0.201 258 2HB ARG 34 HB1 ARG 34 13.836 -5.345 0.503 259 1HG ARG 34 HG2 ARG 34 11.773 -6.468 2.426 260 2HG ARG 34 HG1 ARG 34 13.465 -6.930 2.530 261 1HD ARG 34 HD2 ARG 34 13.425 -4.081 2.335 262 2HD ARG 34 HD1 ARG 34 12.201 -4.529 3.517 263 HE ARG 34 HE ARG 34 14.812 -5.858 3.831 264 1HH1 ARG 34 HH21 ARG 34 12.284 -4.718 5.517 265 2HH1 ARG 34 HH22 ARG 34 13.169 -3.754 6.652 266 1HH2 ARG 34 HH11 ARG 34 16.169 -4.037 4.861 267 2HH2 ARG 34 HH12 ARG 34 15.426 -3.359 6.271 268 H PHE 35 HN PHE 35 9.366 -4.564 -0.162 269 HA PHE 35 HA PHE 35 8.066 -7.034 0.699 270 1HB PHE 35 HB2 PHE 35 7.330 -4.478 0.674 271 2HB PHE 35 HB1 PHE 35 6.827 -4.818 -0.972 272 HD1 PHE 35 HD2 PHE 35 5.376 -7.106 -1.182 273 HD2 PHE 35 HD1 PHE 35 5.717 -4.716 2.324 274 HE1 PHE 35 HE2 PHE 35 3.237 -7.953 -0.401 275 HE2 PHE 35 HE1 PHE 35 3.538 -5.523 3.072 276 HZ PHE 35 HZ PHE 35 2.251 -7.068 1.679 277 H SER 36 HN SER 36 7.166 -8.583 -0.529 278 HA SER 36 HA SER 36 6.238 -8.764 -3.013 279 1HB SER 36 HB2 SER 36 9.214 -8.499 -3.166 280 2HB SER 36 HB1 SER 36 8.458 -9.650 -4.280 281 HG SER 36 HG SER 36 8.531 -7.272 -4.854 282 HA PRO 37 HA PRO 37 8.051 -13.109 -1.686 283 1HB PRO 37 HB2 PRO 37 6.756 -13.160 0.961 284 2HB PRO 37 HB1 PRO 37 8.421 -13.565 0.539 285 1HG PRO 37 HG2 PRO 37 7.618 -11.226 1.890 286 2HG PRO 37 HG1 PRO 37 9.165 -11.459 1.110 287 1HD PRO 37 HD1 PRO 37 6.909 -9.840 0.297 288 2HD PRO 37 HD2 PRO 37 8.597 -9.790 -0.259 289 H ALA 38 HN ALA 38 6.720 -14.979 -1.778 290 HA ALA 38 HA ALA 38 3.913 -14.367 -2.477 291 1HB ALA 38 HB2 ALA 38 5.424 -15.792 -3.934 292 2HB ALA 38 HB1 ALA 38 5.440 -17.000 -2.653 293 3HB ALA 38 HB3 ALA 38 3.933 -16.609 -3.475 294 H THR 39 HN THR 39 5.496 -15.415 0.280 295 HA THR 39 HA THR 39 3.514 -17.315 1.169 296 HB THR 39 HB THR 39 5.961 -17.278 1.987 297 HG1 THR 39 HG1 THR 39 3.665 -17.117 3.626 298 1HG2 THR 39 HG23 THR 39 5.650 -14.621 2.423 299 2HG2 THR 39 HG22 THR 39 4.979 -15.180 3.950 300 3HG2 THR 39 HG21 THR 39 6.639 -15.578 3.520 301 H HIS 40 HN HIS 40 2.842 -14.539 0.378 302 HA HIS 40 HA HIS 40 1.626 -13.519 2.884 303 1HB HIS 40 HB2 HIS 40 2.223 -12.362 0.141 304 2HB HIS 40 HB1 HIS 40 1.256 -11.491 1.318 305 HD1 HIS 40 HD1 HIS 40 4.283 -13.504 2.023 306 HD2 HIS 40 HD2 HIS 40 3.105 -9.662 2.229 307 HE1 HIS 40 HE1 HIS 40 6.098 -12.343 3.144 308 HA PRO 41 HA PRO 41 -2.519 -14.782 1.946 309 1HB PRO 41 HB2 PRO 41 -3.318 -11.897 1.861 310 2HB PRO 41 HB1 PRO 41 -3.970 -13.193 2.868 311 1HG PRO 41 HG2 PRO 41 -2.219 -11.192 3.747 312 2HG PRO 41 HG1 PRO 41 -2.488 -12.726 4.579 313 1HD PRO 41 HD1 PRO 41 -0.133 -11.867 3.144 314 2HD PRO 41 HD2 PRO 41 -0.336 -13.320 4.096 315 H SER 42 HN SER 42 -1.563 -11.777 0.361 316 HA SER 42 HA SER 42 -2.254 -12.986 -2.256 317 1HB SER 42 HB2 SER 42 -4.091 -11.344 -1.107 318 2HB SER 42 HB1 SER 42 -3.031 -10.102 -1.802 319 HG SER 42 HG SER 42 -4.738 -11.133 -3.200 320 H GLU 43 HN GLU 43 -1.915 -10.319 -3.476 321 HA GLU 43 HA GLU 43 0.610 -9.218 -2.757 322 1HB GLU 43 HB2 GLU 43 1.870 -10.220 -4.805 323 2HB GLU 43 HB1 GLU 43 1.647 -11.300 -3.438 324 1HG GLU 43 HG2 GLU 43 -0.553 -11.262 -5.442 325 2HG GLU 43 HG1 GLU 43 0.965 -11.983 -5.971 326 H GLY 44 HN GLY 44 -1.680 -8.057 -3.449 327 1HA GLY 44 HA2 GLY 44 -1.721 -7.405 -6.276 328 2HA GLY 44 HA1 GLY 44 -2.674 -6.627 -5.029 329 H LEU 45 HN LEU 45 0.742 -6.944 -4.611 330 HA LEU 45 HA LEU 45 1.121 -4.100 -4.480 331 1HB LEU 45 HB2 LEU 45 2.909 -6.553 -4.344 332 2HB LEU 45 HB1 LEU 45 3.593 -4.944 -4.315 333 HG LEU 45 HG LEU 45 2.494 -6.443 -2.104 334 1HD1 LEU 45 HD11 LEU 45 4.602 -5.195 -2.289 335 2HD1 LEU 45 HD13 LEU 45 3.684 -3.719 -2.358 336 3HD1 LEU 45 HD12 LEU 45 3.664 -4.674 -0.921 337 1HD2 LEU 45 HD23 LEU 45 0.355 -5.135 -2.644 338 2HD2 LEU 45 HD22 LEU 45 1.020 -4.903 -1.062 339 3HD2 LEU 45 HD21 LEU 45 1.287 -3.686 -2.269 340 H GLU 46 HN GLU 46 0.172 -4.088 -6.749 341 HA GLU 46 HA GLU 46 2.031 -4.684 -8.848 342 1HB GLU 46 HB2 GLU 46 0.041 -4.679 -9.998 343 2HB GLU 46 HB1 GLU 46 -0.784 -4.062 -8.579 344 1HG GLU 46 HG2 GLU 46 -0.467 -1.771 -9.267 345 2HG GLU 46 HG1 GLU 46 0.679 -2.223 -10.531 346 H GLU 47 HN GLU 47 3.731 -3.485 -9.182 347 HA GLU 47 HA GLU 47 5.150 -1.630 -9.214 348 1HB GLU 47 HB2 GLU 47 2.544 -0.818 -10.448 349 2HB GLU 47 HB1 GLU 47 3.757 0.433 -10.200 350 1HG GLU 47 HG2 GLU 47 4.408 -2.197 -11.556 351 2HG GLU 47 HG1 GLU 47 3.862 -0.783 -12.454 352 H ASN 48 HN ASN 48 2.202 0.066 -8.482 353 HA ASN 48 HA ASN 48 3.426 1.092 -5.932 354 1HB ASN 48 HB2 ASN 48 2.387 3.334 -6.648 355 2HB ASN 48 HB1 ASN 48 3.620 2.797 -7.774 356 1HD2 ASN 48 HD22 ASN 48 0.865 3.690 -9.989 357 2HD2 ASN 48 HD21 ASN 48 2.061 4.464 -9.043 358 H TYR 49 HN TYR 49 1.877 -0.540 -4.986 359 HA TYR 49 HA TYR 49 -0.903 0.417 -5.045 360 1HB TYR 49 HB2 TYR 49 0.337 -2.136 -5.529 361 2HB TYR 49 HB1 TYR 49 -0.737 -2.292 -4.136 362 HD1 TYR 49 HD2 TYR 49 -0.739 -0.275 -7.280 363 HD2 TYR 49 HD1 TYR 49 -2.848 -3.032 -4.850 364 HE1 TYR 49 HE2 TYR 49 -2.688 -0.138 -8.799 365 HE2 TYR 49 HE1 TYR 49 -4.796 -2.898 -6.343 366 HH TYR 49 HH TYR 49 -4.638 -1.411 -9.418 367 H CYS 50 HN CYS 50 -2.244 -0.722 -3.374 368 HA CYS 50 HA CYS 50 -0.961 -0.833 -0.704 369 1HB CYS 50 HB2 CYS 50 -3.608 0.534 -1.143 370 2HB CYS 50 HB1 CYS 50 -2.580 0.604 0.260 371 H ARG 51 HN ARG 51 -1.406 -2.695 -0.041 372 HA ARG 51 HA ARG 51 -4.228 -3.651 -0.260 373 1HB ARG 51 HB2 ARG 51 -1.740 -5.004 -1.420 374 2HB ARG 51 HB1 ARG 51 -3.126 -5.982 -0.941 375 1HG ARG 51 HG2 ARG 51 -3.566 -3.624 -2.717 376 2HG ARG 51 HG1 ARG 51 -2.954 -5.100 -3.391 377 1HD ARG 51 HD2 ARG 51 -4.892 -6.343 -2.594 378 2HD ARG 51 HD1 ARG 51 -5.477 -4.937 -1.713 379 HE ARG 51 HE ARG 51 -6.243 -4.013 -3.768 380 1HH1 ARG 51 HH11 ARG 51 -3.778 -4.477 -5.358 381 2HH1 ARG 51 HH12 ARG 51 -4.292 -5.639 -6.532 382 1HH2 ARG 51 HH21 ARG 51 -7.157 -6.495 -4.729 383 2HH2 ARG 51 HH22 ARG 51 -6.251 -6.810 -6.167 384 H ASN 52 HN ASN 52 -3.366 -6.339 0.698 385 HA ASN 52 HA ASN 52 -2.198 -5.583 3.291 386 1HB ASN 52 HB2 ASN 52 -4.962 -6.174 2.822 387 2HB ASN 52 HB1 ASN 52 -4.307 -7.556 3.705 388 1HD2 ASN 52 HD22 ASN 52 -3.747 -3.929 5.573 389 2HD2 ASN 52 HD21 ASN 52 -3.371 -4.082 3.925 390 HA PRO 53 HA PRO 53 -1.056 -9.899 1.759 391 1HB PRO 53 HB2 PRO 53 1.537 -9.090 0.743 392 2HB PRO 53 HB1 PRO 53 0.201 -9.755 -0.173 393 1HG PRO 53 HG2 PRO 53 1.149 -7.086 -0.313 394 2HG PRO 53 HG1 PRO 53 -0.341 -7.689 -1.006 395 1HD PRO 53 HD1 PRO 53 0.058 -6.101 1.451 396 2HD PRO 53 HD2 PRO 53 -1.348 -6.304 0.468 397 H ASP 54 HN ASP 54 -0.063 -7.489 3.766 398 HA ASP 54 HA ASP 54 2.072 -9.150 5.023 399 1HB ASP 54 HB2 ASP 54 2.976 -7.003 4.764 400 2HB ASP 54 HB1 ASP 54 1.428 -6.203 4.994 401 H ASN 55 HN ASN 55 0.112 -6.764 6.661 402 HA ASN 55 HA ASN 55 -1.733 -8.517 7.898 403 1HB ASN 55 HB2 ASN 55 0.522 -9.322 8.929 404 2HB ASN 55 HB1 ASN 55 0.605 -7.751 9.713 405 1HD2 ASN 55 HD22 ASN 55 -2.187 -8.440 11.891 406 2HD2 ASN 55 HD21 ASN 55 -1.436 -7.174 11.046 407 H ASP 56 HN ASP 56 -2.690 -6.492 7.113 408 HA ASP 56 HA ASP 56 -2.835 -4.581 9.368 409 1HB ASP 56 HB2 ASP 56 -1.678 -4.032 6.662 410 2HB ASP 56 HB1 ASP 56 -2.845 -2.831 7.214 411 HA PRO 57 HA PRO 57 -6.861 -5.784 7.365 412 1HB PRO 57 HB2 PRO 57 -7.911 -5.995 10.082 413 2HB PRO 57 HB1 PRO 57 -7.754 -7.276 8.879 414 1HG PRO 57 HG2 PRO 57 -6.169 -6.941 11.244 415 2HG PRO 57 HG1 PRO 57 -5.911 -8.123 9.959 416 1HD PRO 57 HD1 PRO 57 -4.383 -5.716 10.545 417 2HD PRO 57 HD2 PRO 57 -4.015 -6.986 9.364 418 H GLN 58 HN GLN 58 -5.927 -3.684 9.989 419 HA GLN 58 HA GLN 58 -8.211 -2.117 10.288 420 1HB GLN 58 HB2 GLN 58 -6.291 -0.217 10.545 421 2HB GLN 58 HB1 GLN 58 -6.529 -1.452 11.774 422 1HG GLN 58 HG2 GLN 58 -4.705 -2.061 9.460 423 2HG GLN 58 HG1 GLN 58 -4.116 -1.031 10.758 424 1HE2 GLN 58 HE22 GLN 58 -3.177 -4.200 12.148 425 2HE2 GLN 58 HE21 GLN 58 -2.606 -2.916 11.196 426 H GLY 59 HN GLY 59 -5.791 -2.111 7.768 427 1HA GLY 59 HA2 GLY 59 -7.519 -0.925 5.861 428 2HA GLY 59 HA1 GLY 59 -6.480 0.338 6.494 429 HA PRO 60 HA PRO 60 -4.278 -2.615 3.315 430 1HB PRO 60 HB2 PRO 60 -4.582 -0.762 1.122 431 2HB PRO 60 HB1 PRO 60 -5.327 -2.350 1.265 432 1HG PRO 60 HG2 PRO 60 -6.591 0.273 1.535 433 2HG PRO 60 HG1 PRO 60 -7.352 -1.315 1.420 434 1HD PRO 60 HD1 PRO 60 -7.136 0.292 3.762 435 2HD PRO 60 HD2 PRO 60 -7.687 -1.392 3.669 436 H TRP 61 HN TRP 61 -2.329 -2.132 3.936 437 HA TRP 61 HA TRP 61 -1.289 0.535 4.397 438 1HB TRP 61 HB2 TRP 61 0.730 -0.619 5.094 439 2HB TRP 61 HB1 TRP 61 -0.626 -1.607 5.657 440 HD1 TRP 61 HD1 TRP 61 -1.434 -3.508 4.059 441 HE1 TRP 61 HE1 TRP 61 -0.285 -4.692 2.143 442 HE3 TRP 61 HE3 TRP 61 2.598 -0.691 3.799 443 HZ2 TRP 61 HZ2 TRP 61 2.262 -4.512 0.707 444 HZ3 TRP 61 HZ3 TRP 61 4.400 -1.139 2.177 445 HH2 TRP 61 HH2 TRP 61 4.242 -3.048 0.652 446 H CYS 62 HN CYS 62 0.764 1.195 3.557 447 HA CYS 62 HA CYS 62 1.865 0.178 1.129 448 1HB CYS 62 HB2 CYS 62 -0.295 1.015 0.308 449 2HB CYS 62 HB1 CYS 62 0.028 2.575 0.963 450 H TYR 63 HN TYR 63 3.831 1.093 0.847 451 HA TYR 63 HA TYR 63 4.422 3.320 2.622 452 1HB TYR 63 HB2 TYR 63 6.083 1.245 1.270 453 2HB TYR 63 HB1 TYR 63 6.853 2.763 1.692 454 HD1 TYR 63 HD2 TYR 63 4.268 0.786 3.459 455 HD2 TYR 63 HD1 TYR 63 8.173 2.412 3.587 456 HE1 TYR 63 HE2 TYR 63 4.495 0.025 5.773 457 HE2 TYR 63 HE1 TYR 63 8.411 1.669 5.909 458 HH TYR 63 HH TYR 63 7.366 -0.193 7.363 459 H THR 64 HN THR 64 6.472 4.689 1.397 460 HA THR 64 HA THR 64 5.512 5.330 -1.334 461 HB THR 64 HB THR 64 4.786 7.486 -0.935 462 HG1 THR 64 HG1 THR 64 6.841 7.475 1.039 463 1HG2 THR 64 HG21 THR 64 4.799 6.372 1.929 464 2HG2 THR 64 HG23 THR 64 4.002 7.866 1.477 465 3HG2 THR 64 HG22 THR 64 3.447 6.334 0.817 466 H THR 65 HN THR 65 6.853 6.804 -2.492 467 HA THR 65 HA THR 65 9.524 6.034 -2.581 468 HB THR 65 HB THR 65 9.779 8.296 -3.912 469 HG1 THR 65 HG1 THR 65 7.432 8.934 -4.277 470 1HG2 THR 65 HG23 THR 65 8.419 5.862 -4.597 471 2HG2 THR 65 HG22 THR 65 7.322 7.156 -5.062 472 3HG2 THR 65 HG21 THR 65 8.951 7.099 -5.726 473 H ASP 66 HN ASP 66 8.558 7.525 0.138 474 HA ASP 66 HA ASP 66 11.279 8.494 0.460 475 1HB ASP 66 HB2 ASP 66 9.045 10.132 -0.262 476 2HB ASP 66 HB1 ASP 66 9.620 10.622 1.320 477 HA PRO 67 HA PRO 67 10.819 7.453 4.769 478 1HB PRO 67 HB2 PRO 67 12.182 9.742 5.836 479 2HB PRO 67 HB1 PRO 67 12.879 8.166 5.474 480 1HG PRO 67 HG2 PRO 67 13.081 10.679 3.929 481 2HG PRO 67 HG1 PRO 67 14.084 9.229 3.826 482 1HD PRO 67 HD1 PRO 67 12.159 9.969 1.935 483 2HD PRO 67 HD2 PRO 67 12.843 8.373 2.106 484 H GLU 68 HN GLU 68 10.872 10.999 5.108 485 HA GLU 68 HA GLU 68 9.117 11.417 7.148 486 1HB GLU 68 HB2 GLU 68 9.063 12.917 4.482 487 2HB GLU 68 HB1 GLU 68 8.385 13.530 5.986 488 1HG GLU 68 HG2 GLU 68 10.794 13.041 6.942 489 2HG GLU 68 HG1 GLU 68 11.271 13.107 5.247 490 H LYS 69 HN LYS 69 8.261 10.367 3.992 491 HA LYS 69 HA LYS 69 5.423 9.980 4.869 492 1HB LYS 69 HB2 LYS 69 4.929 10.278 2.381 493 2HB LYS 69 HB1 LYS 69 5.500 11.745 3.157 494 1HG LYS 69 HG2 LYS 69 7.785 11.306 2.363 495 2HG LYS 69 HG1 LYS 69 7.279 9.817 1.586 496 1HD LYS 69 HD2 LYS 69 5.799 12.324 0.899 497 2HD LYS 69 HD1 LYS 69 7.419 12.131 0.242 498 1HE LYS 69 HE2 LYS 69 5.730 11.222 -1.313 499 2HE LYS 69 HE1 LYS 69 6.770 9.941 -0.714 500 1HZ LYS 69 HZ3 LYS 69 4.248 10.573 0.652 501 2HZ LYS 69 HZ2 LYS 69 4.248 9.587 -0.729 502 3HZ LYS 69 HZ1 LYS 69 5.118 9.125 0.650 503 H ARG 70 HN ARG 70 7.140 8.031 5.386 504 HA ARG 70 HA ARG 70 7.554 6.305 3.112 505 1HB ARG 70 HB2 ARG 70 8.468 4.769 4.670 506 2HB ARG 70 HB1 ARG 70 8.890 6.359 5.276 507 1HG ARG 70 HG2 ARG 70 6.755 6.268 6.662 508 2HG ARG 70 HG1 ARG 70 6.684 4.545 6.255 509 1HD ARG 70 HD2 ARG 70 9.287 4.691 6.927 510 2HD ARG 70 HD1 ARG 70 8.661 5.986 7.959 511 HE ARG 70 HE ARG 70 6.935 4.118 8.676 512 1HH1 ARG 70 HH11 ARG 70 9.390 2.755 6.978 513 2HH1 ARG 70 HH12 ARG 70 10.023 1.770 8.255 514 1HH2 ARG 70 HH21 ARG 70 8.053 3.325 10.703 515 2HH2 ARG 70 HH22 ARG 70 9.246 2.102 10.420 516 H TYR 71 HN TYR 71 4.915 6.518 5.469 517 HA TYR 71 HA TYR 71 3.438 4.809 3.765 518 1HB TYR 71 HB2 TYR 71 3.475 2.706 4.815 519 2HB TYR 71 HB1 TYR 71 5.124 3.257 5.116 520 HD1 TYR 71 HD1 TYR 71 4.695 5.307 7.228 521 HD2 TYR 71 HD2 TYR 71 2.929 1.467 6.753 522 HE1 TYR 71 HE1 TYR 71 4.314 5.185 9.644 523 HE2 TYR 71 HE2 TYR 71 2.546 1.347 9.171 524 HH TYR 71 HH TYR 71 2.243 3.109 11.078 525 H ASP 72 HN ASP 72 1.725 3.638 4.829 526 HA ASP 72 HA ASP 72 0.188 4.085 6.968 527 1HB ASP 72 HB2 ASP 72 0.151 6.466 7.020 528 2HB ASP 72 HB1 ASP 72 0.309 6.613 5.277 529 H TYR 73 HN TYR 73 -2.441 4.241 6.087 530 HA TYR 73 HA TYR 73 -2.504 2.106 4.147 531 1HB TYR 73 HB2 TYR 73 -4.895 3.681 5.060 532 2HB TYR 73 HB1 TYR 73 -4.879 2.027 4.450 533 HD1 TYR 73 HD2 TYR 73 -3.219 0.447 5.682 534 HD2 TYR 73 HD1 TYR 73 -4.851 3.973 7.370 535 HE1 TYR 73 HE2 TYR 73 -2.604 -0.337 7.898 536 HE2 TYR 73 HE1 TYR 73 -4.231 3.190 9.592 537 HH TYR 73 HH TYR 73 -3.287 1.607 10.771 538 H CYS 74 HN CYS 74 -4.768 2.614 2.721 539 HA CYS 74 HA CYS 74 -3.744 4.749 0.872 540 1HB CYS 74 HB2 CYS 74 -4.293 2.056 0.415 541 2HB CYS 74 HB1 CYS 74 -5.655 2.869 -0.263 542 H ASP 75 HN ASP 75 -5.253 6.052 -0.210 543 HA ASP 75 HA ASP 75 -7.571 6.556 1.421 544 1HB ASP 75 HB2 ASP 75 -6.368 8.526 0.574 545 2HB ASP 75 HB1 ASP 75 -6.475 7.906 -1.085 546 H ILE 76 HN ILE 76 -7.923 4.093 0.605 547 HA ILE 76 HA ILE 76 -9.487 3.914 -1.851 548 HB ILE 76 HB ILE 76 -8.566 2.083 0.340 549 1HG1 ILE 76 HG12 ILE 76 -8.844 1.593 -2.642 550 2HG1 ILE 76 HG11 ILE 76 -7.457 2.408 -1.952 551 1HG2 ILE 76 HG21 ILE 76 -11.072 1.673 -1.357 552 2HG2 ILE 76 HG23 ILE 76 -10.145 0.293 -0.797 553 3HG2 ILE 76 HG22 ILE 76 -10.873 1.393 0.372 554 1HD1 ILE 76 HD12 ILE 76 -7.882 0.064 -0.407 555 2HD1 ILE 76 HD11 ILE 76 -7.952 -0.396 -2.091 556 3HD1 ILE 76 HD13 ILE 76 -6.540 0.429 -1.468 557 H LEU 77 HN LEU 77 -11.685 3.985 -2.015 558 HA LEU 77 HA LEU 77 -13.292 5.369 -0.249 559 1HB LEU 77 HB2 LEU 77 -13.769 3.297 -2.348 560 2HB LEU 77 HB1 LEU 77 -15.086 3.481 -1.204 561 HG LEU 77 HG LEU 77 -15.165 4.941 -3.334 562 1HD1 LEU 77 HD12 LEU 77 -16.559 5.307 -1.290 563 2HD1 LEU 77 HD11 LEU 77 -15.311 6.366 -0.653 564 3HD1 LEU 77 HD13 LEU 77 -16.167 6.806 -2.123 565 1HD2 LEU 77 HD21 LEU 77 -12.608 5.608 -2.716 566 2HD2 LEU 77 HD23 LEU 77 -13.668 6.641 -3.662 567 3HD2 LEU 77 HD22 LEU 77 -13.458 6.941 -1.943 568 H GLU 78 HN GLU 78 -14.716 4.853 1.435 569 HA GLU 78 HA GLU 78 -13.761 3.065 3.400 570 1HB GLU 78 HB2 GLU 78 -15.819 4.935 3.227 571 2HB GLU 78 HB1 GLU 78 -16.715 3.427 3.378 572 1HG GLU 78 HG2 GLU 78 -16.290 4.231 5.620 573 2HG GLU 78 HG1 GLU 78 -15.223 2.854 5.354 574 H CYS 79 HN CYS 79 -15.779 1.458 4.270 575 HA CYS 79 HA CYS 79 -16.565 -0.274 2.025 576 1HB CYS 79 HB2 CYS 79 -14.861 -1.409 4.250 577 2HB CYS 79 HB1 CYS 79 -15.210 -2.118 2.698 578 1H2 ACA 80 HA1 ACA 80 6.022 -3.440 4.263 579 2H2 ACA 80 HA2 ACA 80 5.385 -1.802 4.173 580 1H3 ACA 80 HB1 ACA 80 3.634 -3.233 5.050 581 2H3 ACA 80 HB2 ACA 80 4.210 -2.210 6.361 582 1H4 ACA 80 HG1 ACA 80 5.892 -4.471 6.390 583 2H4 ACA 80 HG2 ACA 80 4.269 -5.102 6.149 584 1H5 ACA 80 HD1 ACA 80 5.111 -3.181 8.348 585 2H5 ACA 80 HD2 ACA 80 4.768 -4.893 8.560 586 1H6 ACA 80 HE1 ACA 80 2.526 -3.869 7.205 587 2H6 ACA 80 HE2 ACA 80 2.913 -2.656 8.417 588 1HN6 ACA 80 HZ1 ACA 80 2.321 -4.000 10.072 589 2HN6 ACA 80 HZ2 ACA 80 3.037 -5.371 9.373 590 3HN6 ACA 80 HZ3 ACA 80 1.490 -4.878 8.880 No H/Q in entry = 590
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