NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
8598 | 1mit | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H GLY 1 1H GLY 1 -1.590 -16.002 -8.026 2 2H GLY 1 2H GLY 1 -2.128 -17.046 -6.800 3 3H GLY 1 3H GLY 1 -2.337 -17.472 -8.430 4 1HA GLY 1 1HA GLY 1 -4.402 -16.726 -8.056 5 2HA GLY 1 2HA GLY 1 -3.856 -15.644 -6.762 6 H SER 1 H SER 1 -5.595 -14.691 -8.745 7 HA SER 1 HA SER 1 -3.817 -13.150 -10.558 8 1HB SER 1 1HB SER 1 -5.921 -12.740 -11.864 9 2HB SER 1 2HB SER 1 -5.847 -14.479 -11.466 10 HG SER 1 HG SER 1 -7.283 -14.191 -9.901 11 H SER 2 H SER 2 -6.538 -11.433 -10.576 12 HA SER 2 HA SER 2 -5.513 -9.603 -8.472 13 1HB SER 2 1HB SER 2 -7.063 -7.937 -9.818 14 2HB SER 2 2HB SER 2 -5.643 -8.562 -10.701 15 HG SER 2 HG SER 2 -7.913 -10.153 -10.637 16 H CYS 3 H CYS 3 -6.667 -9.478 -6.621 17 HA CYS 3 HA CYS 3 -9.278 -10.765 -6.468 18 1HB CYS 3 1HB CYS 3 -7.616 -9.204 -4.444 19 2HB CYS 3 2HB CYS 3 -9.090 -10.063 -4.037 20 HA PRO 4 HA PRO 4 -12.043 -7.423 -6.656 21 1HB PRO 4 1HB PRO 4 -12.755 -7.451 -3.767 22 2HB PRO 4 2HB PRO 4 -13.769 -7.859 -5.159 23 1HG PRO 4 1HG PRO 4 -12.743 -9.730 -3.371 24 2HG PRO 4 2HG PRO 4 -13.270 -10.104 -5.019 25 1HD PRO 4 1HD PRO 4 -10.503 -9.910 -3.952 26 2HD PRO 4 2HD PRO 4 -11.090 -10.728 -5.427 27 H GLY 5 H GLY 5 -12.141 -5.151 -6.327 28 1HA GLY 5 1HA GLY 5 -11.581 -3.094 -5.271 29 2HA GLY 5 2HA GLY 5 -10.527 -3.986 -4.161 30 H LYS 6 H LYS 6 -9.431 -1.741 -5.227 31 HA LYS 6 HA LYS 6 -8.242 -1.806 -7.733 32 1HB LYS 6 1HB LYS 6 -8.090 -0.073 -5.741 33 2HB LYS 6 2HB LYS 6 -6.634 -0.973 -5.300 34 1HG LYS 6 1HG LYS 6 -5.486 -0.330 -7.202 35 2HG LYS 6 2HG LYS 6 -6.961 -0.180 -8.165 36 1HD LYS 6 1HD LYS 6 -7.482 1.754 -6.396 37 2HD LYS 6 2HD LYS 6 -5.717 1.792 -6.294 38 1HE LYS 6 1HE LYS 6 -6.997 1.687 -9.011 39 2HE LYS 6 2HE LYS 6 -6.939 3.234 -8.148 40 1HZ LYS 6 1HZ LYS 6 -4.449 2.186 -7.851 41 2HZ LYS 6 2HZ LYS 6 -4.861 1.805 -9.454 42 3HZ LYS 6 3HZ LYS 6 -4.908 3.419 -8.926 43 H SER 7 H SER 7 -6.852 -3.193 -8.693 44 HA SER 7 HA SER 7 -5.543 -5.224 -6.997 45 1HB SER 7 1HB SER 7 -5.245 -5.263 -9.997 46 2HB SER 7 2HB SER 7 -5.721 -6.588 -8.901 47 HG SER 7 HG SER 7 -7.702 -5.541 -8.616 48 H SER 8 H SER 8 -4.814 -2.307 -8.612 49 HA SER 8 HA SER 8 -2.015 -2.571 -7.848 50 1HB SER 8 1HB SER 8 -1.173 -2.202 -10.211 51 2HB SER 8 2HB SER 8 -2.143 -3.697 -10.123 52 HG SER 8 HG SER 8 -3.333 -2.719 -11.552 53 H TRP 9 H TRP 9 -1.109 -0.558 -7.489 54 HA TRP 9 HA TRP 9 -2.919 1.740 -7.965 55 1HB TRP 9 1HB TRP 9 -0.642 1.108 -6.079 56 2HB TRP 9 2HB TRP 9 -1.012 2.801 -6.402 57 HD1 TRP 9 HD1 TRP 9 -2.929 3.844 -4.962 58 HE1 TRP 9 HE1 TRP 9 -4.675 2.803 -3.459 59 HE3 TRP 9 HE3 TRP 9 -2.099 -0.921 -6.012 60 HZ2 TRP 9 HZ2 TRP 9 -5.585 0.089 -2.690 61 HZ3 TRP 9 HZ3 TRP 9 -3.372 -2.748 -4.970 62 HH2 TRP 9 HH2 TRP 9 -5.128 -2.242 -3.326 63 HA PRO 10 HA PRO 10 -0.377 3.540 -11.004 64 1HB PRO 10 1HB PRO 10 -0.312 6.223 -10.084 65 2HB PRO 10 2HB PRO 10 -1.606 5.510 -11.060 66 1HG PRO 10 1HG PRO 10 -1.589 6.146 -8.160 67 2HG PRO 10 2HG PRO 10 -2.967 5.933 -9.250 68 1HD PRO 10 1HD PRO 10 -2.073 4.041 -7.344 69 2HD PRO 10 2HD PRO 10 -3.187 3.705 -8.699 70 H HIS 11 H HIS 11 0.718 6.071 -8.934 71 HA HIS 11 HA HIS 11 3.178 4.606 -8.215 72 1HB HIS 11 1HB HIS 11 3.203 5.929 -10.553 73 2HB HIS 11 2HB HIS 11 3.478 7.321 -9.506 74 HD1 HIS 11 HD1 HIS 11 4.900 3.960 -8.867 75 HD2 HIS 11 HD2 HIS 11 6.200 7.643 -10.001 76 HE1 HIS 11 HE1 HIS 11 7.337 3.835 -8.810 77 H LEU 12 H LEU 12 2.246 4.946 -6.069 78 HA LEU 12 HA LEU 12 2.079 7.747 -5.168 79 1HB LEU 12 1HB LEU 12 1.757 5.766 -3.050 80 2HB LEU 12 2HB LEU 12 0.533 6.843 -3.732 81 HG LEU 12 HG LEU 12 1.433 4.355 -5.203 82 1HD1 LEU 12 1HD1 LEU 12 -0.451 4.733 -2.877 83 2HD1 LEU 12 2HD1 LEU 12 -0.964 3.641 -4.164 84 3HD1 LEU 12 3HD1 LEU 12 0.533 3.327 -3.285 85 1HD2 LEU 12 1HD2 LEU 12 -0.354 6.553 -5.679 86 2HD2 LEU 12 2HD2 LEU 12 -0.044 5.160 -6.716 87 3HD2 LEU 12 3HD2 LEU 12 -1.320 5.088 -5.500 88 H VAL 13 H VAL 13 4.572 5.778 -5.683 89 HA VAL 13 HA VAL 13 5.931 5.752 -3.160 90 HB VAL 13 HB VAL 13 6.834 5.549 -6.071 91 1HG1 VAL 13 1HG1 VAL 13 8.421 5.624 -3.479 92 2HG1 VAL 13 2HG1 VAL 13 9.014 4.683 -4.848 93 3HG1 VAL 13 3HG1 VAL 13 8.790 6.425 -5.006 94 1HG2 VAL 13 1HG2 VAL 13 5.596 3.742 -4.460 95 2HG2 VAL 13 2HG2 VAL 13 6.747 3.278 -5.712 96 3HG2 VAL 13 3HG2 VAL 13 7.277 3.420 -4.036 97 H GLY 14 H GLY 14 6.957 7.385 -2.130 98 1HA GLY 14 1HA GLY 14 8.290 9.348 -1.959 99 2HA GLY 14 2HA GLY 14 8.022 9.644 -3.686 100 H VAL 15 H VAL 15 5.088 8.839 -2.458 101 HA VAL 15 HA VAL 15 4.332 11.688 -2.270 102 HB VAL 15 HB VAL 15 2.352 9.396 -2.202 103 1HG1 VAL 15 1HG1 VAL 15 2.531 12.268 -3.089 104 2HG1 VAL 15 2HG1 VAL 15 1.442 11.218 -3.995 105 3HG1 VAL 15 3HG1 VAL 15 1.208 11.446 -2.262 106 1HG2 VAL 15 1HG2 VAL 15 4.396 9.434 -4.071 107 2HG2 VAL 15 2HG2 VAL 15 2.817 8.687 -4.315 108 3HG2 VAL 15 3HG2 VAL 15 3.114 10.327 -4.890 109 H GLY 16 H GLY 16 5.556 9.782 -0.162 110 1HA GLY 16 1HA GLY 16 5.493 9.859 2.186 111 2HA GLY 16 2HA GLY 16 4.084 10.927 2.066 112 H GLY 17 H GLY 17 4.852 8.150 3.430 113 1HA GLY 17 1HA GLY 17 3.160 6.142 2.487 114 2HA GLY 17 2HA GLY 17 3.567 6.361 4.198 115 H SER 18 H SER 18 2.372 9.044 4.311 116 HA SER 18 HA SER 18 -0.257 8.319 5.097 117 1HB SER 18 1HB SER 18 -0.450 11.045 4.769 118 2HB SER 18 2HB SER 18 0.513 10.344 6.099 119 HG SER 18 HG SER 18 1.612 11.840 4.592 120 H VAL 19 H VAL 19 0.614 10.516 2.399 121 HA VAL 19 HA VAL 19 -1.876 10.562 1.161 122 HB VAL 19 HB VAL 19 0.819 10.425 -0.291 123 1HG1 VAL 19 1HG1 VAL 19 -1.268 10.455 -1.701 124 2HG1 VAL 19 2HG1 VAL 19 -1.804 11.903 -0.848 125 3HG1 VAL 19 3HG1 VAL 19 -0.367 11.962 -1.869 126 1HG2 VAL 19 1HG2 VAL 19 0.198 12.106 1.806 127 2HG2 VAL 19 2HG2 VAL 19 1.340 12.494 0.520 128 3HG2 VAL 19 3HG2 VAL 19 -0.329 13.053 0.416 129 H ALA 20 H ALA 20 0.779 8.241 0.602 130 HA ALA 20 HA ALA 20 -0.501 6.695 -1.373 131 1HB ALA 20 1HB ALA 20 1.581 6.172 0.757 132 2HB ALA 20 2HB ALA 20 0.966 4.801 -0.166 133 3HB ALA 20 3HB ALA 20 1.765 6.136 -0.997 134 H LYS 21 H LYS 21 -0.621 6.423 2.175 135 HA LYS 21 HA LYS 21 -2.232 4.096 2.284 136 1HB LYS 21 1HB LYS 21 -1.213 4.875 4.324 137 2HB LYS 21 2HB LYS 21 -1.876 6.501 4.122 138 1HG LYS 21 1HG LYS 21 -4.013 5.866 4.795 139 2HG LYS 21 2HG LYS 21 -3.770 4.180 4.321 140 1HD LYS 21 1HD LYS 21 -1.974 4.097 6.169 141 2HD LYS 21 2HD LYS 21 -2.681 5.608 6.753 142 1HE LYS 21 1HE LYS 21 -3.626 3.381 7.727 143 2HE LYS 21 2HE LYS 21 -4.794 4.590 7.167 144 1HZ LYS 21 1HZ LYS 21 -4.637 3.364 4.966 145 2HZ LYS 21 2HZ LYS 21 -3.940 2.099 5.859 146 3HZ LYS 21 3HZ LYS 21 -5.509 2.634 6.227 147 H ALA 22 H ALA 22 -3.160 7.546 2.294 148 HA ALA 22 HA ALA 22 -5.940 7.185 2.468 149 1HB ALA 22 1HB ALA 22 -4.089 9.297 1.876 150 2HB ALA 22 2HB ALA 22 -5.327 9.337 0.621 151 3HB ALA 22 3HB ALA 22 -5.788 9.466 2.318 152 H ILE 23 H ILE 23 -3.776 6.923 -0.313 153 HA ILE 23 HA ILE 23 -5.821 6.819 -2.300 154 HB ILE 23 HB ILE 23 -3.094 5.439 -2.333 155 1HG1 ILE 23 1HG1 ILE 23 -3.898 8.321 -2.429 156 2HG1 ILE 23 2HG1 ILE 23 -2.439 7.584 -1.758 157 1HG2 ILE 23 1HG2 ILE 23 -5.187 5.639 -4.222 158 2HG2 ILE 23 2HG2 ILE 23 -4.049 6.894 -4.713 159 3HG2 ILE 23 3HG2 ILE 23 -3.515 5.218 -4.594 160 1HD1 ILE 23 1HD1 ILE 23 -1.919 6.939 -4.235 161 2HD1 ILE 23 2HD1 ILE 23 -3.078 8.207 -4.633 162 3HD1 ILE 23 3HD1 ILE 23 -1.625 8.599 -3.714 163 H ILE 24 H ILE 24 -4.126 4.289 -0.450 164 HA ILE 24 HA ILE 24 -5.350 2.079 -1.742 165 HB ILE 24 HB ILE 24 -4.403 2.380 1.158 166 1HG1 ILE 24 1HG1 ILE 24 -2.857 1.078 -1.076 167 2HG1 ILE 24 2HG1 ILE 24 -2.844 2.840 -0.936 168 1HG2 ILE 24 1HG2 ILE 24 -4.975 -0.007 -0.662 169 2HG2 ILE 24 2HG2 ILE 24 -4.021 -0.150 0.815 170 3HG2 ILE 24 3HG2 ILE 24 -5.715 0.334 0.902 171 1HD1 ILE 24 1HD1 ILE 24 -2.310 2.450 1.561 172 2HD1 ILE 24 2HD1 ILE 24 -1.917 0.798 1.085 173 3HD1 ILE 24 3HD1 ILE 24 -1.014 2.151 0.403 174 H GLU 25 H GLU 25 -6.398 4.084 0.983 175 HA GLU 25 HA GLU 25 -8.693 2.429 1.572 176 1HB GLU 25 1HB GLU 25 -7.971 5.315 2.263 177 2HB GLU 25 2HB GLU 25 -9.375 4.475 2.933 178 1HG GLU 25 1HG GLU 25 -7.208 2.696 3.231 179 2HG GLU 25 2HG GLU 25 -6.603 4.275 3.732 180 H ARG 26 H ARG 26 -8.236 5.510 -0.171 181 HA ARG 26 HA ARG 26 -11.031 5.668 -0.905 182 1HB ARG 26 1HB ARG 26 -8.495 7.163 -1.444 183 2HB ARG 26 2HB ARG 26 -9.745 7.324 -2.683 184 1HG ARG 26 1HG ARG 26 -11.320 8.209 -1.151 185 2HG ARG 26 2HG ARG 26 -10.397 7.649 0.249 186 1HD ARG 26 1HD ARG 26 -8.607 9.275 -1.204 187 2HD ARG 26 2HD ARG 26 -10.145 10.161 -1.181 188 HE ARG 26 HE ARG 26 -9.258 9.045 1.394 189 1HH1 ARG 26 1HH1 ARG 26 -9.856 11.641 -0.750 190 2HH1 ARG 26 2HH1 ARG 26 -9.464 12.881 0.394 191 1HH2 ARG 26 1HH2 ARG 26 -8.575 10.582 2.886 192 2HH2 ARG 26 2HH2 ARG 26 -8.720 12.266 2.507 193 H GLN 27 H GLN 27 -8.280 4.013 -2.137 194 HA GLN 27 HA GLN 27 -9.453 3.721 -4.819 195 1HB GLN 27 1HB GLN 27 -6.890 2.762 -3.478 196 2HB GLN 27 2HB GLN 27 -7.338 2.228 -5.104 197 1HG GLN 27 1HG GLN 27 -7.109 5.130 -4.251 198 2HG GLN 27 2HG GLN 27 -5.864 4.249 -5.136 199 1HE2 GLN 27 1HE2 GLN 27 -7.412 5.164 -8.168 200 2HE2 GLN 27 2HE2 GLN 27 -5.978 5.035 -7.269 201 H ASN 28 H ASN 28 -9.002 1.891 -1.856 202 HA ASN 28 HA ASN 28 -10.965 -0.062 -2.838 203 1HB ASN 28 1HB ASN 28 -8.453 -0.719 -3.378 204 2HB ASN 28 2HB ASN 28 -8.373 -1.110 -1.659 205 1HD2 ASN 28 1HD2 ASN 28 -9.470 -4.209 -3.417 206 2HD2 ASN 28 2HD2 ASN 28 -8.071 -3.247 -3.417 207 HA PRO 29 HA PRO 29 -11.611 1.145 1.501 208 1HB PRO 29 1HB PRO 29 -14.338 0.111 0.921 209 2HB PRO 29 2HB PRO 29 -13.860 1.732 1.447 210 1HG PRO 29 1HG PRO 29 -14.732 1.113 -1.126 211 2HG PRO 29 2HG PRO 29 -13.762 2.535 -0.711 212 1HD PRO 29 1HD PRO 29 -12.915 0.049 -2.101 213 2HD PRO 29 2HD PRO 29 -12.139 1.657 -2.090 214 H ASN 30 H ASN 30 -11.707 -1.770 -0.228 215 HA ASN 30 HA ASN 30 -12.433 -3.359 2.159 216 1HB ASN 30 1HB ASN 30 -11.810 -4.146 -0.728 217 2HB ASN 30 2HB ASN 30 -12.327 -5.279 0.521 218 1HD2 ASN 30 1HD2 ASN 30 -15.691 -3.895 0.644 219 2HD2 ASN 30 2HD2 ASN 30 -14.496 -4.514 1.677 220 H VAL 31 H VAL 31 -9.729 -1.918 1.017 221 HA VAL 31 HA VAL 31 -8.009 -4.094 2.111 222 HB VAL 31 HB VAL 31 -6.321 -3.538 0.446 223 1HG1 VAL 31 1HG1 VAL 31 -9.192 -3.664 -0.459 224 2HG1 VAL 31 2HG1 VAL 31 -7.983 -3.283 -1.685 225 3HG1 VAL 31 3HG1 VAL 31 -7.879 -4.796 -0.784 226 1HG2 VAL 31 1HG2 VAL 31 -7.855 -0.994 0.413 227 2HG2 VAL 31 2HG2 VAL 31 -6.125 -1.265 0.203 228 3HG2 VAL 31 3HG2 VAL 31 -7.228 -1.518 -1.150 229 H LYS 32 H LYS 32 -6.562 -3.469 3.689 230 HA LYS 32 HA LYS 32 -6.853 -0.721 4.681 231 1HB LYS 32 1HB LYS 32 -6.712 -3.051 6.003 232 2HB LYS 32 2HB LYS 32 -4.974 -2.745 5.905 233 1HG LYS 32 1HG LYS 32 -6.160 -1.788 7.971 234 2HG LYS 32 2HG LYS 32 -5.182 -0.645 7.041 235 1HD LYS 32 1HD LYS 32 -7.152 0.184 5.879 236 2HD LYS 32 2HD LYS 32 -8.165 -1.043 6.651 237 1HE LYS 32 1HE LYS 32 -6.627 0.461 8.624 238 2HE LYS 32 2HE LYS 32 -7.669 1.518 7.658 239 1HZ LYS 32 1HZ LYS 32 -9.295 -0.526 8.158 240 2HZ LYS 32 2HZ LYS 32 -8.360 -0.515 9.576 241 3HZ LYS 32 3HZ LYS 32 -9.204 0.881 9.105 242 H ALA 33 H ALA 33 -5.108 0.747 4.890 243 HA ALA 33 HA ALA 33 -2.898 0.197 3.004 244 1HB ALA 33 1HB ALA 33 -4.462 2.383 3.261 245 2HB ALA 33 2HB ALA 33 -3.220 2.834 4.429 246 3HB ALA 33 3HB ALA 33 -2.782 2.531 2.748 247 H VAL 34 H VAL 34 -1.227 -0.837 4.002 248 HA VAL 34 HA VAL 34 -0.574 -0.089 6.788 249 HB VAL 34 HB VAL 34 0.840 -2.219 5.128 250 1HG1 VAL 34 1HG1 VAL 34 0.079 -1.817 8.064 251 2HG1 VAL 34 2HG1 VAL 34 0.808 -3.302 7.453 252 3HG1 VAL 34 3HG1 VAL 34 1.708 -1.787 7.388 253 1HG2 VAL 34 1HG2 VAL 34 -1.940 -2.240 6.311 254 2HG2 VAL 34 2HG2 VAL 34 -1.410 -2.824 4.734 255 3HG2 VAL 34 3HG2 VAL 34 -1.008 -3.733 6.191 256 H ILE 35 H ILE 35 1.642 0.472 7.361 257 HA ILE 35 HA ILE 35 3.331 1.309 5.072 258 HB ILE 35 HB ILE 35 2.977 3.159 7.456 259 1HG1 ILE 35 1HG1 ILE 35 1.151 2.939 5.029 260 2HG1 ILE 35 2HG1 ILE 35 0.686 2.695 6.717 261 1HG2 ILE 35 1HG2 ILE 35 4.004 3.194 4.646 262 2HG2 ILE 35 2HG2 ILE 35 3.129 4.644 5.139 263 3HG2 ILE 35 3HG2 ILE 35 4.554 4.125 6.040 264 1HD1 ILE 35 1HD1 ILE 35 2.059 5.229 6.387 265 2HD1 ILE 35 2HD1 ILE 35 0.664 5.130 5.312 266 3HD1 ILE 35 3HD1 ILE 35 0.455 4.914 7.049 267 H LEU 36 H LEU 36 4.989 -0.121 5.522 268 HA LEU 36 HA LEU 36 6.233 0.174 8.216 269 1HB LEU 36 1HB LEU 36 6.554 -2.372 6.619 270 2HB LEU 36 2HB LEU 36 6.481 -2.168 8.373 271 HG LEU 36 HG LEU 36 4.137 -1.855 6.460 272 1HD1 LEU 36 1HD1 LEU 36 5.365 -4.132 7.730 273 2HD1 LEU 36 2HD1 LEU 36 3.840 -3.824 8.561 274 3HD1 LEU 36 3HD1 LEU 36 3.855 -4.103 6.819 275 1HD2 LEU 36 1HD2 LEU 36 4.236 -0.402 8.585 276 2HD2 LEU 36 2HD2 LEU 36 2.819 -1.437 8.411 277 3HD2 LEU 36 3HD2 LEU 36 4.131 -1.912 9.490 278 H GLU 37 H GLU 37 8.553 0.092 8.239 279 HA GLU 37 HA GLU 37 9.777 1.209 5.893 280 1HB GLU 37 1HB GLU 37 10.797 0.098 8.540 281 2HB GLU 37 2HB GLU 37 11.930 0.664 7.307 282 1HG GLU 37 1HG GLU 37 10.149 2.721 7.318 283 2HG GLU 37 2HG GLU 37 10.066 2.217 9.007 284 H GLU 38 H GLU 38 10.827 0.158 4.227 285 HA GLU 38 HA GLU 38 10.366 -2.473 3.569 286 1HB GLU 38 1HB GLU 38 11.544 -0.642 2.194 287 2HB GLU 38 2HB GLU 38 13.034 -1.081 3.038 288 1HG GLU 38 1HG GLU 38 13.223 -3.089 1.951 289 2HG GLU 38 2HG GLU 38 11.478 -3.335 1.891 290 H GLY 39 H GLY 39 10.544 -3.956 5.279 291 1HA GLY 39 1HA GLY 39 12.527 -5.613 5.732 292 2HA GLY 39 2HA GLY 39 13.219 -4.201 6.547 293 H THR 40 H THR 40 10.251 -3.536 7.221 294 HA THR 40 HA THR 40 10.261 -4.317 9.893 295 HB THR 40 HB THR 40 7.679 -4.043 8.241 296 HG1 THR 40 HG1 THR 40 8.821 -2.359 7.570 297 1HG2 THR 40 1HG2 THR 40 8.506 -3.855 11.082 298 2HG2 THR 40 2HG2 THR 40 7.786 -2.348 10.517 299 3HG2 THR 40 3HG2 THR 40 6.869 -3.852 10.425 300 HA PRO 41 HA PRO 41 9.863 -8.708 9.318 301 1HB PRO 41 1HB PRO 41 9.461 -8.698 12.269 302 2HB PRO 41 2HB PRO 41 10.751 -9.468 11.332 303 1HG PRO 41 1HG PRO 41 11.098 -7.184 12.885 304 2HG PRO 41 2HG PRO 41 12.155 -7.650 11.543 305 1HD PRO 41 1HD PRO 41 10.127 -5.483 11.641 306 2HD PRO 41 2HD PRO 41 11.504 -5.695 10.524 307 H VAL 42 H VAL 42 7.793 -8.744 8.345 308 HA VAL 42 HA VAL 42 5.507 -8.695 10.257 309 HB VAL 42 HB VAL 42 4.253 -8.329 7.900 310 1HG1 VAL 42 1HG1 VAL 42 5.256 -6.677 9.985 311 2HG1 VAL 42 2HG1 VAL 42 5.726 -5.864 8.493 312 3HG1 VAL 42 3HG1 VAL 42 4.028 -6.225 8.803 313 1HG2 VAL 42 1HG2 VAL 42 7.163 -7.628 7.428 314 2HG2 VAL 42 2HG2 VAL 42 6.107 -8.621 6.423 315 3HG2 VAL 42 3HG2 VAL 42 5.866 -6.875 6.501 316 H THR 43 H THR 43 3.578 -9.933 8.746 317 HA THR 43 HA THR 43 4.306 -12.688 9.013 318 HB THR 43 HB THR 43 1.934 -11.746 7.315 319 HG1 THR 43 HG1 THR 43 2.253 -10.346 9.118 320 1HG2 THR 43 1HG2 THR 43 2.652 -13.954 9.266 321 2HG2 THR 43 2HG2 THR 43 0.984 -13.379 9.277 322 3HG2 THR 43 3HG2 THR 43 1.670 -14.067 7.806 323 H LYS 44 H LYS 44 3.686 -14.178 6.960 324 HA LYS 44 HA LYS 44 5.448 -13.177 4.785 325 1HB LYS 44 1HB LYS 44 5.847 -15.395 6.160 326 2HB LYS 44 2HB LYS 44 4.570 -16.060 5.136 327 1HG LYS 44 1HG LYS 44 6.580 -14.516 3.644 328 2HG LYS 44 2HG LYS 44 7.234 -15.957 4.431 329 1HD LYS 44 1HD LYS 44 5.245 -17.235 3.471 330 2HD LYS 44 2HD LYS 44 4.923 -15.807 2.479 331 1HE LYS 44 1HE LYS 44 6.483 -16.543 1.008 332 2HE LYS 44 2HE LYS 44 7.711 -16.326 2.267 333 1HZ LYS 44 1HZ LYS 44 6.071 -18.719 2.406 334 2HZ LYS 44 2HZ LYS 44 7.212 -18.638 1.151 335 3HZ LYS 44 3HZ LYS 44 7.716 -18.495 2.766 336 H ASP 45 H ASP 45 2.321 -14.710 5.429 337 HA ASP 45 HA ASP 45 1.618 -14.875 2.624 338 1HB ASP 45 1HB ASP 45 0.508 -15.629 5.210 339 2HB ASP 45 2HB ASP 45 -0.741 -14.859 4.232 340 H PHE 46 H PHE 46 0.531 -13.378 1.394 341 HA PHE 46 HA PHE 46 0.015 -10.763 2.707 342 1HB PHE 46 1HB PHE 46 0.850 -11.687 -0.020 343 2HB PHE 46 2HB PHE 46 -0.172 -10.250 0.027 344 HD1 PHE 46 HD1 PHE 46 1.044 -9.695 2.994 345 HD2 PHE 46 HD2 PHE 46 2.670 -10.142 -0.917 346 HE1 PHE 46 HE1 PHE 46 2.981 -8.330 3.640 347 HE2 PHE 46 HE2 PHE 46 4.605 -8.779 -0.265 348 HZ PHE 46 HZ PHE 46 4.763 -7.873 2.013 349 H ARG 47 H ARG 47 -1.997 -9.680 2.326 350 HA ARG 47 HA ARG 47 -4.129 -11.509 1.322 351 1HB ARG 47 1HB ARG 47 -4.533 -9.220 3.294 352 2HB ARG 47 2HB ARG 47 -5.580 -10.621 3.034 353 1HG ARG 47 1HG ARG 47 -3.145 -11.788 3.650 354 2HG ARG 47 2HG ARG 47 -3.190 -10.382 4.721 355 1HD ARG 47 1HD ARG 47 -5.776 -11.310 4.926 356 2HD ARG 47 2HD ARG 47 -4.852 -12.818 4.783 357 HE ARG 47 HE ARG 47 -4.924 -11.932 7.171 358 1HH1 ARG 47 1HH1 ARG 47 -2.181 -12.691 6.049 359 2HH1 ARG 47 2HH1 ARG 47 -1.212 -11.375 6.619 360 1HH2 ARG 47 1HH2 ARG 47 -3.999 -9.386 7.371 361 2HH2 ARG 47 2HH2 ARG 47 -2.268 -9.452 7.387 362 H CYS 48 H CYS 48 -5.477 -10.726 -0.257 363 HA CYS 48 HA CYS 48 -4.712 -8.398 -1.710 364 1HB CYS 48 1HB CYS 48 -7.328 -9.965 -1.683 365 2HB CYS 48 2HB CYS 48 -6.895 -8.801 -2.920 366 H ASN 49 H ASN 49 -6.297 -8.631 1.218 367 HA ASN 49 HA ASN 49 -7.838 -6.138 0.727 368 1HB ASN 49 1HB ASN 49 -9.195 -6.784 2.600 369 2HB ASN 49 2HB ASN 49 -8.840 -8.316 1.801 370 1HD2 ASN 49 1HD2 ASN 49 -6.063 -8.702 4.405 371 2HD2 ASN 49 2HD2 ASN 49 -5.988 -8.325 2.751 372 H ARG 50 H ARG 50 -4.884 -6.388 1.124 373 HA ARG 50 HA ARG 50 -4.714 -4.329 3.212 374 1HB ARG 50 1HB ARG 50 -3.380 -7.062 3.349 375 2HB ARG 50 2HB ARG 50 -2.719 -5.681 4.231 376 1HG ARG 50 1HG ARG 50 -5.270 -5.422 4.987 377 2HG ARG 50 2HG ARG 50 -5.274 -7.162 4.674 378 1HD ARG 50 1HD ARG 50 -4.553 -6.992 6.952 379 2HD ARG 50 2HD ARG 50 -3.043 -7.189 6.039 380 HE ARG 50 HE ARG 50 -2.554 -4.885 6.432 381 1HH1 ARG 50 1HH1 ARG 50 -5.407 -6.102 7.866 382 2HH1 ARG 50 2HH1 ARG 50 -5.775 -4.652 8.738 383 1HH2 ARG 50 1HH2 ARG 50 -3.044 -2.913 7.394 384 2HH2 ARG 50 2HH2 ARG 50 -4.402 -2.798 8.463 385 H VAL 51 H VAL 51 -3.862 -2.832 1.732 386 HA VAL 51 HA VAL 51 -1.710 -3.667 -0.051 387 HB VAL 51 HB VAL 51 -3.261 -1.121 0.493 388 1HG1 VAL 51 1HG1 VAL 51 -0.446 -1.352 -0.642 389 2HG1 VAL 51 2HG1 VAL 51 -1.528 -0.082 -1.213 390 3HG1 VAL 51 3HG1 VAL 51 -1.067 -0.148 0.488 391 1HG2 VAL 51 1HG2 VAL 51 -2.816 -3.092 -1.633 392 2HG2 VAL 51 2HG2 VAL 51 -4.176 -1.998 -1.384 393 3HG2 VAL 51 3HG2 VAL 51 -2.728 -1.429 -2.214 394 H ARG 52 H ARG 52 0.120 -4.191 1.020 395 HA ARG 52 HA ARG 52 0.938 -2.784 3.425 396 1HB ARG 52 1HB ARG 52 1.320 -5.298 2.536 397 2HB ARG 52 2HB ARG 52 2.798 -4.585 1.880 398 1HG ARG 52 1HG ARG 52 3.346 -5.370 4.094 399 2HG ARG 52 2HG ARG 52 3.207 -3.608 4.207 400 1HD ARG 52 1HD ARG 52 1.197 -3.704 5.367 401 2HD ARG 52 2HD ARG 52 0.719 -5.228 4.600 402 HE ARG 52 HE ARG 52 1.890 -5.083 7.120 403 1HH1 ARG 52 1HH1 ARG 52 4.472 -5.730 6.226 404 2HH1 ARG 52 2HH1 ARG 52 4.455 -7.436 5.923 405 1HH2 ARG 52 1HH2 ARG 52 0.956 -7.584 5.798 406 2HH2 ARG 52 2HH2 ARG 52 2.414 -8.513 5.679 407 H ILE 53 H ILE 53 1.504 -0.677 2.992 408 HA ILE 53 HA ILE 53 3.275 -0.087 0.721 409 HB ILE 53 HB ILE 53 2.574 1.950 2.847 410 1HG1 ILE 53 1HG1 ILE 53 0.511 1.324 0.765 411 2HG1 ILE 53 2HG1 ILE 53 0.588 0.267 2.181 412 1HG2 ILE 53 1HG2 ILE 53 3.485 1.858 0.118 413 2HG2 ILE 53 2HG2 ILE 53 1.881 2.591 0.103 414 3HG2 ILE 53 3HG2 ILE 53 3.165 3.298 1.084 415 1HD1 ILE 53 1HD1 ILE 53 0.858 3.011 3.018 416 2HD1 ILE 53 2HD1 ILE 53 -0.591 2.840 2.028 417 3HD1 ILE 53 3HD1 ILE 53 -0.383 1.841 3.466 418 H TRP 54 H TRP 54 5.469 0.530 0.976 419 HA TRP 54 HA TRP 54 6.470 0.412 3.779 420 1HB TRP 54 1HB TRP 54 7.605 -0.911 1.274 421 2HB TRP 54 2HB TRP 54 8.493 -0.814 2.796 422 HD1 TRP 54 HD1 TRP 54 5.021 -2.142 1.553 423 HE1 TRP 54 HE1 TRP 54 4.515 -4.127 3.035 424 HE3 TRP 54 HE3 TRP 54 8.997 -1.945 4.501 425 HZ2 TRP 54 HZ2 TRP 54 5.729 -5.529 5.321 426 HZ3 TRP 54 HZ3 TRP 54 9.369 -3.557 6.320 427 HH2 TRP 54 HH2 TRP 54 7.736 -5.347 6.731 428 H VAL 55 H VAL 55 8.656 1.406 4.017 429 HA VAL 55 HA VAL 55 8.988 3.626 2.054 430 HB VAL 55 HB VAL 55 9.618 5.059 3.941 431 1HG1 VAL 55 1HG1 VAL 55 7.145 3.569 3.840 432 2HG1 VAL 55 2HG1 VAL 55 7.574 3.782 5.537 433 3HG1 VAL 55 3HG1 VAL 55 7.393 5.190 4.491 434 1HG2 VAL 55 1HG2 VAL 55 10.960 3.232 5.066 435 2HG2 VAL 55 2HG2 VAL 55 9.959 4.167 6.177 436 3HG2 VAL 55 3HG2 VAL 55 9.443 2.561 5.664 437 H ASN 56 H ASN 56 10.958 3.694 1.070 438 HA ASN 56 HA ASN 56 12.962 1.733 1.903 439 1HB ASN 56 1HB ASN 56 14.125 2.465 -0.180 440 2HB ASN 56 2HB ASN 56 12.419 2.164 -0.510 441 1HD2 ASN 56 1HD2 ASN 56 13.554 5.572 -1.830 442 2HD2 ASN 56 2HD2 ASN 56 14.272 4.039 -1.957 443 H LYS 57 H LYS 57 14.879 2.192 2.914 444 HA LYS 57 HA LYS 57 15.215 4.341 4.588 445 1HB LYS 57 1HB LYS 57 17.338 3.439 4.939 446 2HB LYS 57 2HB LYS 57 16.723 2.150 3.897 447 1HG LYS 57 1HG LYS 57 17.713 3.135 1.940 448 2HG LYS 57 2HG LYS 57 18.101 4.623 2.813 449 1HD LYS 57 1HD LYS 57 19.908 3.688 3.890 450 2HD LYS 57 2HD LYS 57 19.167 2.084 3.955 451 1HE LYS 57 1HE LYS 57 20.601 1.587 2.238 452 2HE LYS 57 2HE LYS 57 19.444 2.479 1.235 453 1HZ LYS 57 1HZ LYS 57 21.558 3.917 2.668 454 2HZ LYS 57 2HZ LYS 57 21.914 3.116 1.214 455 3HZ LYS 57 3HZ LYS 57 20.736 4.338 1.242 456 H ARG 58 H ARG 58 15.638 4.316 1.139 457 HA ARG 58 HA ARG 58 17.356 6.522 0.809 458 1HB ARG 58 1HB ARG 58 14.893 5.916 -0.898 459 2HB ARG 58 2HB ARG 58 16.405 6.656 -1.439 460 1HG ARG 58 1HG ARG 58 16.825 4.082 -0.098 461 2HG ARG 58 2HG ARG 58 15.831 3.943 -1.554 462 1HD ARG 58 1HD ARG 58 18.417 3.848 -1.869 463 2HD ARG 58 2HD ARG 58 17.516 4.954 -2.925 464 HE ARG 58 HE ARG 58 18.490 6.143 -0.428 465 1HH1 ARG 58 1HH1 ARG 58 19.284 5.142 -3.597 466 2HH1 ARG 58 2HH1 ARG 58 20.292 6.507 -3.946 467 1HH2 ARG 58 1HH2 ARG 58 19.627 8.038 -0.862 468 2HH2 ARG 58 2HH2 ARG 58 20.492 8.190 -2.356 469 H GLY 59 H GLY 59 14.443 6.447 2.418 470 1HA GLY 59 1HA GLY 59 13.417 8.283 3.503 471 2HA GLY 59 2HA GLY 59 14.331 9.376 2.448 472 H LEU 60 H LEU 60 12.367 6.632 1.377 473 HA LEU 60 HA LEU 60 10.370 8.568 0.328 474 1HB LEU 60 1HB LEU 60 11.835 6.393 -1.244 475 2HB LEU 60 2HB LEU 60 10.453 7.296 -1.878 476 HG LEU 60 HG LEU 60 12.105 9.299 -0.884 477 1HD1 LEU 60 1HD1 LEU 60 13.834 7.359 -0.721 478 2HD1 LEU 60 2HD1 LEU 60 13.791 7.323 -2.484 479 3HD1 LEU 60 3HD1 LEU 60 14.346 8.772 -1.645 480 1HD2 LEU 60 1HD2 LEU 60 10.794 8.940 -3.123 481 2HD2 LEU 60 2HD2 LEU 60 12.242 9.947 -3.149 482 3HD2 LEU 60 3HD2 LEU 60 12.317 8.280 -3.719 483 H VAL 61 H VAL 61 8.440 7.283 -0.642 484 HA VAL 61 HA VAL 61 7.874 5.055 1.244 485 HB VAL 61 HB VAL 61 6.015 6.925 -0.322 486 1HG1 VAL 61 1HG1 VAL 61 5.619 4.351 1.050 487 2HG1 VAL 61 2HG1 VAL 61 4.650 5.625 1.791 488 3HG1 VAL 61 3HG1 VAL 61 4.468 5.264 0.074 489 1HG2 VAL 61 1HG2 VAL 61 7.430 7.193 2.147 490 2HG2 VAL 61 2HG2 VAL 61 6.219 8.284 1.474 491 3HG2 VAL 61 3HG2 VAL 61 5.725 6.970 2.541 492 H VAL 62 H VAL 62 8.366 3.173 0.194 493 HA VAL 62 HA VAL 62 7.862 2.922 -2.679 494 HB VAL 62 HB VAL 62 8.644 0.430 -1.962 495 1HG1 VAL 62 1HG1 VAL 62 9.904 2.257 -3.270 496 2HG1 VAL 62 2HG1 VAL 62 10.530 2.822 -1.721 497 3HG1 VAL 62 3HG1 VAL 62 10.939 1.208 -2.302 498 1HG2 VAL 62 1HG2 VAL 62 8.344 1.122 0.485 499 2HG2 VAL 62 2HG2 VAL 62 9.910 0.420 0.080 500 3HG2 VAL 62 3HG2 VAL 62 9.749 2.166 0.267 501 H SER 63 H SER 63 5.528 3.125 -2.637 502 HA SER 63 HA SER 63 4.042 1.025 -1.207 503 1HB SER 63 1HB SER 63 2.610 2.851 -3.118 504 2HB SER 63 2HB SER 63 2.262 2.538 -1.396 505 HG SER 63 HG SER 63 3.280 4.645 -2.078 506 HA PRO 64 HA PRO 64 4.629 -1.481 -4.863 507 1HB PRO 64 1HB PRO 64 2.878 -3.371 -3.372 508 2HB PRO 64 2HB PRO 64 4.548 -3.604 -3.913 509 1HG PRO 64 1HG PRO 64 3.807 -3.195 -1.259 510 2HG PRO 64 2HG PRO 64 5.427 -2.886 -1.905 511 1HD PRO 64 1HD PRO 64 3.326 -0.928 -1.140 512 2HD PRO 64 2HD PRO 64 5.084 -0.682 -1.331 513 HA PRO 65 HA PRO 65 0.630 0.050 -6.278 514 1HB PRO 65 1HB PRO 65 1.793 -0.469 -8.953 515 2HB PRO 65 2HB PRO 65 1.287 1.075 -8.251 516 1HG PRO 65 1HG PRO 65 3.943 0.325 -8.660 517 2HG PRO 65 2HG PRO 65 3.414 1.576 -7.523 518 1HD PRO 65 1HD PRO 65 4.357 -1.187 -6.947 519 2HD PRO 65 2HD PRO 65 4.311 0.240 -5.873 520 H ARG 66 H ARG 66 1.477 -2.900 -5.785 521 HA ARG 66 HA ARG 66 -0.690 -4.009 -7.438 522 1HB ARG 66 1HB ARG 66 1.335 -5.993 -7.541 523 2HB ARG 66 2HB ARG 66 0.832 -4.957 -8.882 524 1HG ARG 66 1HG ARG 66 3.041 -4.307 -8.797 525 2HG ARG 66 2HG ARG 66 2.419 -3.215 -7.554 526 1HD ARG 66 1HD ARG 66 4.088 -4.228 -6.298 527 2HD ARG 66 2HD ARG 66 2.816 -5.442 -6.046 528 HE ARG 66 HE ARG 66 3.872 -6.553 -8.142 529 1HH1 ARG 66 1HH1 ARG 66 5.233 -5.700 -5.231 530 2HH1 ARG 66 2HH1 ARG 66 6.881 -5.964 -5.696 531 1HH2 ARG 66 1HH2 ARG 66 6.065 -6.429 -9.072 532 2HH2 ARG 66 2HH2 ARG 66 7.364 -6.387 -7.927 533 H ILE 67 H ILE 67 -1.959 -5.160 -6.089 534 HA ILE 67 HA ILE 67 -0.969 -5.881 -3.444 535 HB ILE 67 HB ILE 67 -3.465 -5.263 -4.581 536 1HG1 ILE 67 1HG1 ILE 67 -3.123 -6.727 -1.946 537 2HG1 ILE 67 2HG1 ILE 67 -2.563 -5.065 -2.170 538 1HG2 ILE 67 1HG2 ILE 67 -3.355 -7.801 -5.254 539 2HG2 ILE 67 2HG2 ILE 67 -3.574 -8.121 -3.534 540 3HG2 ILE 67 3HG2 ILE 67 -4.816 -7.249 -4.434 541 1HD1 ILE 67 1HD1 ILE 67 -5.392 -6.023 -2.705 542 2HD1 ILE 67 2HD1 ILE 67 -4.882 -5.154 -1.257 543 3HD1 ILE 67 3HD1 ILE 67 -4.812 -4.362 -2.832 544 H GLY 68 H GLY 68 -1.093 -8.099 -2.596 545 1HA GLY 68 1HA GLY 68 -0.487 -10.072 -4.739 546 2HA GLY 68 2HA GLY 68 0.132 -10.161 -3.081 No H/Q in entry = 546
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