NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
12741 | 1tin | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1HH3 ACE 0 HA1 ACE 1 15.949 -7.806 -7.806 2 2HH3 ACE 0 HA3 ACE 1 16.134 -6.887 -6.887 3 3HH3 ACE 0 HA2 ACE 1 16.744 -8.539 -8.539 4 H SER 1 HN SER 1 15.005 -7.828 -7.828 5 HA SER 1 HA SER 1 13.114 -9.828 -9.828 6 1HB SER 1 HB2 SER 1 11.858 -7.740 -7.740 7 2HB SER 1 HB1 SER 1 13.147 -8.781 -8.781 8 HG SER 1 HG SER 1 14.631 -7.320 -7.320 9 H SER 2 HN SER 2 13.004 -6.902 -6.902 10 HA SER 2 HA SER 2 10.337 -7.728 -7.728 11 1HB SER 2 HB2 SER 2 9.516 -5.915 -5.915 12 2HB SER 2 HB1 SER 2 11.113 -5.118 -5.118 13 HG SER 2 HG SER 2 9.562 -4.125 -4.125 14 H CYS 3 HN CYS 3 10.222 -7.653 -7.653 15 HA CYS 3 HA CYS 3 12.417 -7.390 -7.390 16 1HB CYS 3 HB2 CYS 3 9.709 -6.388 -6.388 17 2HB CYS 3 HB1 CYS 3 10.861 -7.366 -7.366 18 HA PRO 4 HA PRO 4 13.380 -3.096 -3.096 19 1HB PRO 4 HB2 PRO 4 15.209 -3.527 -3.527 20 2HB PRO 4 HB1 PRO 4 15.614 -3.074 -3.074 21 1HG PRO 4 HG2 PRO 4 16.084 -5.591 -5.591 22 2HG PRO 4 HG1 PRO 4 15.952 -5.262 -5.262 23 1HD PRO 4 HD1 PRO 4 13.994 -6.599 -6.599 24 2HD PRO 4 HD2 PRO 4 14.124 -6.655 -6.655 25 H GLY 5 HN GLY 5 11.546 -2.053 -2.053 26 1HA GLY 5 HA2 GLY 5 11.704 -1.124 -1.124 27 2HA GLY 5 HA1 GLY 5 10.302 -2.155 -2.155 28 H LYS 6 HN LYS 6 8.595 -0.734 -0.734 29 HA LYS 6 HA LYS 6 8.965 1.850 1.850 30 1HB LYS 6 HB2 LYS 6 7.651 1.455 1.455 31 2HB LYS 6 HB1 LYS 6 6.407 0.710 0.710 32 1HG LYS 6 HG2 LYS 6 5.638 2.896 2.896 33 2HG LYS 6 HG1 LYS 6 6.733 2.962 2.962 34 1HD LYS 6 HD2 LYS 6 7.906 3.448 3.448 35 2HD LYS 6 HD1 LYS 6 6.927 4.736 4.736 36 1HE LYS 6 HE2 LYS 6 9.297 3.374 3.374 37 2HE LYS 6 HE1 LYS 6 9.271 5.026 5.026 38 1HZ LYS 6 HZ3 LYS 6 7.299 5.318 5.318 39 2HZ LYS 6 HZ2 LYS 6 7.886 3.925 3.925 40 3HZ LYS 6 HZ1 LYS 6 8.866 5.307 5.307 41 H SER 7 HN SER 7 8.535 2.022 2.022 42 HA SER 7 HA SER 7 7.567 -0.141 -0.141 43 1HB SER 7 HB2 SER 7 7.049 2.026 2.026 44 2HB SER 7 HB1 SER 7 8.726 1.514 1.514 45 HG SER 7 HG SER 7 7.192 3.566 3.566 46 H SER 8 HN SER 8 5.871 2.972 2.972 47 HA SER 8 HA SER 8 3.425 1.589 1.589 48 1HB SER 8 HB2 SER 8 2.144 2.400 2.400 49 2HB SER 8 HB1 SER 8 3.497 1.347 1.347 50 HG SER 8 HG SER 8 4.646 3.564 3.564 51 H TRP 9 HN TRP 9 2.067 2.967 2.967 52 HA TRP 9 HA TRP 9 3.099 5.634 5.634 53 1HB TRP 9 HB2 TRP 9 0.892 3.847 3.847 54 2HB TRP 9 HB1 TRP 9 0.716 5.575 5.575 55 HD1 TRP 9 HD1 TRP 9 2.203 6.644 6.644 56 HE1 TRP 9 HE1 TRP 9 3.894 5.601 5.601 57 HE3 TRP 9 HE3 TRP 9 2.633 2.198 2.198 58 HZ2 TRP 9 HZ2 TRP 9 5.309 3.042 3.042 59 HZ3 TRP 9 HZ3 TRP 9 4.128 0.451 0.451 60 HH2 TRP 9 HH2 TRP 9 5.480 0.879 0.879 61 HA PRO 10 HA PRO 10 0.716 7.883 7.883 62 1HB PRO 10 HB2 PRO 10 0.030 10.093 10.093 63 2HB PRO 10 HB1 PRO 10 1.536 9.926 9.926 64 1HG PRO 10 HG2 PRO 10 1.077 9.588 9.588 65 2HG PRO 10 HG1 PRO 10 2.583 9.936 9.936 66 1HD PRO 10 HD1 PRO 10 1.863 7.428 7.428 67 2HD PRO 10 HD2 PRO 10 3.153 7.705 7.705 68 H HIS 11 HN HIS 11 -1.345 9.799 9.799 69 HA HIS 11 HA HIS 11 -3.541 7.844 7.844 70 1HB HIS 11 HB2 HIS 11 -3.285 10.425 10.425 71 2HB HIS 11 HB1 HIS 11 -4.062 10.715 10.715 72 HD1 HIS 11 HD1 HIS 11 -5.826 11.288 11.288 73 HD2 HIS 11 HD2 HIS 11 -5.548 7.480 7.480 74 HE1 HIS 11 HE1 HIS 11 -7.869 10.175 10.175 75 H LEU 12 HN LEU 12 -3.336 6.692 6.692 76 HA LEU 12 HA LEU 12 -3.651 8.336 8.336 77 1HB LEU 12 HB2 LEU 12 -2.625 5.491 5.491 78 2HB LEU 12 HB1 LEU 12 -2.826 6.206 6.206 79 HG LEU 12 HG LEU 12 -1.375 8.154 8.154 80 1HD1 LEU 12 HD23 LEU 12 -1.050 6.035 6.035 81 2HD1 LEU 12 HD22 LEU 12 0.188 7.259 7.259 82 3HD1 LEU 12 HD21 LEU 12 -1.433 7.743 7.743 83 1HD2 LEU 12 HD11 LEU 12 -0.605 6.283 6.283 84 2HD2 LEU 12 HD13 LEU 12 0.675 6.951 6.951 85 3HD2 LEU 12 HD12 LEU 12 -0.071 5.410 5.410 86 H VAL 13 HN VAL 13 -4.848 5.408 5.408 87 HA VAL 13 HA VAL 13 -6.830 4.712 4.712 88 HB VAL 13 HB VAL 13 -6.647 4.431 4.431 89 1HG1 VAL 13 HG21 VAL 13 -8.741 3.374 3.374 90 2HG1 VAL 13 HG23 VAL 13 -8.551 2.755 2.755 91 3HG1 VAL 13 HG22 VAL 13 -9.042 4.429 4.429 92 1HG2 VAL 13 HG11 VAL 13 -5.223 3.167 3.167 93 2HG2 VAL 13 HG13 VAL 13 -5.851 2.288 2.288 94 3HG2 VAL 13 HG12 VAL 13 -6.689 2.200 2.200 95 H GLY 14 HN GLY 14 -8.562 5.855 5.855 96 1HA GLY 14 HA2 GLY 14 -10.648 6.991 6.991 97 2HA GLY 14 HA1 GLY 14 -9.930 7.608 7.608 98 H VAL 15 HN VAL 15 -7.773 7.726 7.726 99 HA VAL 15 HA VAL 15 -8.524 10.555 10.555 100 HB VAL 15 HB VAL 15 -5.678 9.470 9.470 101 1HG1 VAL 15 HG23 VAL 15 -6.943 11.994 11.994 102 2HG1 VAL 15 HG22 VAL 15 -5.849 12.243 12.243 103 3HG1 VAL 15 HG21 VAL 15 -5.250 11.521 11.521 104 1HG2 VAL 15 HG11 VAL 15 -7.216 9.489 9.489 105 2HG2 VAL 15 HG13 VAL 15 -5.630 10.251 10.251 106 3HG2 VAL 15 HG12 VAL 15 -7.071 11.243 11.243 107 H GLY 16 HN GLY 16 -8.840 7.904 7.904 108 1HA GLY 16 HA2 GLY 16 -9.066 7.629 7.629 109 2HA GLY 16 HA1 GLY 16 -7.870 8.916 8.916 110 H GLY 17 HN GLY 17 -8.193 5.814 5.814 111 1HA GLY 17 HA2 GLY 17 -5.935 4.548 4.548 112 2HA GLY 17 HA1 GLY 17 -6.730 4.022 4.022 113 H SER 18 HN SER 18 -6.337 6.165 6.165 114 HA SER 18 HA SER 18 -3.783 5.786 5.786 115 1HB SER 18 HB2 SER 18 -4.494 8.506 8.506 116 2HB SER 18 HB1 SER 18 -4.936 7.077 7.077 117 HG SER 18 HG SER 18 -6.328 8.349 8.349 118 H VAL 19 HN VAL 19 -4.829 8.537 8.537 119 HA VAL 19 HA VAL 19 -2.335 9.777 9.777 120 HB VAL 19 HB VAL 19 -4.694 9.482 9.482 121 1HG1 VAL 19 HG22 VAL 19 -2.157 10.031 10.031 122 2HG1 VAL 19 HG21 VAL 19 -2.657 11.649 11.649 123 3HG1 VAL 19 HG23 VAL 19 -3.589 10.769 10.769 124 1HG2 VAL 19 HG12 VAL 19 -3.884 11.246 11.246 125 2HG2 VAL 19 HG11 VAL 19 -5.467 11.057 11.057 126 3HG2 VAL 19 HG13 VAL 19 -4.277 12.146 12.146 127 H ALA 20 HN ALA 20 -3.753 7.390 7.390 128 HA ALA 20 HA ALA 20 -1.518 7.108 7.108 129 1HB ALA 20 HB2 ALA 20 -3.872 5.443 5.443 130 2HB ALA 20 HB1 ALA 20 -2.533 4.546 4.546 131 3HB ALA 20 HB3 ALA 20 -3.292 5.863 5.863 132 H LYS 21 HN LYS 21 -2.228 5.517 5.517 133 HA LYS 21 HA LYS 21 -0.085 3.682 3.682 134 1HB LYS 21 HB2 LYS 21 -1.868 3.636 3.636 135 2HB LYS 21 HB1 LYS 21 -1.385 5.231 5.231 136 1HG LYS 21 HG2 LYS 21 0.907 4.244 4.244 137 2HG LYS 21 HG1 LYS 21 0.205 2.655 2.655 138 1HD LYS 21 HD2 LYS 21 -1.557 3.135 3.135 139 2HD LYS 21 HD1 LYS 21 -0.699 4.629 4.629 140 1HE LYS 21 HE2 LYS 21 -0.045 2.723 2.723 141 2HE LYS 21 HE1 LYS 21 1.326 3.344 3.344 142 1HZ LYS 21 HZ1 LYS 21 0.907 1.574 1.574 143 2HZ LYS 21 HZ3 LYS 21 -0.295 0.944 0.944 144 3HZ LYS 21 HZ2 LYS 21 1.322 0.988 0.988 145 H ALA 22 HN ALA 22 -0.220 7.007 7.007 146 HA ALA 22 HA ALA 22 2.449 7.135 7.135 147 1HB ALA 22 HB1 ALA 22 0.594 9.268 9.268 148 2HB ALA 22 HB3 ALA 22 2.122 9.653 9.653 149 3HB ALA 22 HB2 ALA 22 0.826 8.881 8.881 150 H ILE 23 HN ILE 23 1.066 7.824 7.824 151 HA ILE 23 HA ILE 23 3.477 8.755 8.755 152 HB ILE 23 HB ILE 23 1.202 7.207 7.207 153 1HG1 ILE 23 HG12 ILE 23 1.386 9.963 9.963 154 2HG1 ILE 23 HG11 ILE 23 -0.003 8.876 8.876 155 1HG2 ILE 23 HG21 ILE 23 3.583 8.309 8.309 156 2HG2 ILE 23 HG23 ILE 23 2.396 9.580 9.580 157 3HG2 ILE 23 HG22 ILE 23 2.145 7.966 7.966 158 1HD1 ILE 23 HD3 ILE 23 0.607 9.316 9.316 159 2HD1 ILE 23 HD2 ILE 23 0.905 10.891 10.891 160 3HD1 ILE 23 HD1 ILE 23 -0.676 10.127 10.127 161 H ILE 24 HN ILE 24 2.282 5.550 5.550 162 HA ILE 24 HA ILE 24 4.053 4.147 4.147 163 HB ILE 24 HB ILE 24 2.501 3.388 3.388 164 1HG1 ILE 24 HG12 ILE 24 2.152 2.136 2.136 165 2HG1 ILE 24 HG11 ILE 24 1.601 3.804 3.804 166 1HG2 ILE 24 HG22 ILE 24 4.631 1.931 1.931 167 2HG2 ILE 24 HG21 ILE 24 3.179 0.997 0.997 168 3HG2 ILE 24 HG23 ILE 24 4.119 1.710 1.710 169 1HD1 ILE 24 HD1 ILE 24 0.730 2.524 2.524 170 2HD1 ILE 24 HD3 ILE 24 0.435 1.342 1.342 171 3HD1 ILE 24 HD2 ILE 24 -0.272 2.954 2.954 172 H GLU 25 HN GLU 25 4.186 4.845 4.845 173 HA GLU 25 HA GLU 25 6.830 3.731 3.731 174 1HB GLU 25 HB2 GLU 25 5.212 5.687 5.687 175 2HB GLU 25 HB1 GLU 25 6.735 4.959 4.959 176 1HG GLU 25 HG2 GLU 25 5.330 2.766 2.766 177 2HG GLU 25 HG1 GLU 25 4.055 3.755 3.755 178 H ARG 26 HN ARG 26 5.528 6.911 6.911 179 HA ARG 26 HA ARG 26 8.016 8.323 8.323 180 1HB ARG 26 HB2 ARG 26 5.370 9.030 9.030 181 2HB ARG 26 HB1 ARG 26 6.034 9.391 9.391 182 1HG ARG 26 HG2 ARG 26 7.081 10.420 10.420 183 2HG ARG 26 HG1 ARG 26 6.282 11.374 11.374 184 1HD ARG 26 HD2 ARG 26 8.264 10.190 10.190 185 2HD ARG 26 HD1 ARG 26 9.072 10.383 10.383 186 HE ARG 26 HE ARG 26 7.670 12.783 12.783 187 1HH1 ARG 26 HH11 ARG 26 10.547 10.962 10.962 188 2HH1 ARG 26 HH12 ARG 26 11.567 12.201 12.201 189 1HH2 ARG 26 HH21 ARG 26 8.881 14.366 14.366 190 2HH2 ARG 26 HH22 ARG 26 10.599 14.179 14.179 191 H GLN 27 HN GLN 27 6.378 6.803 6.803 192 HA GLN 27 HA GLN 27 8.432 7.695 7.695 193 1HB GLN 27 HB2 GLN 27 5.845 7.008 7.008 194 2HB GLN 27 HB1 GLN 27 6.555 5.415 5.415 195 1HG GLN 27 HG2 GLN 27 7.725 6.103 6.103 196 2HG GLN 27 HG1 GLN 27 7.783 7.785 7.785 197 1HE2 GLN 27 HE22 GLN 27 4.497 8.543 8.543 198 2HE2 GLN 27 HE21 GLN 27 5.613 8.991 8.991 199 H ASN 28 HN ASN 28 7.685 4.811 4.811 200 HA ASN 28 HA ASN 28 10.383 3.799 3.799 201 1HB ASN 28 HB2 ASN 28 8.485 2.825 2.825 202 2HB ASN 28 HB1 ASN 28 7.990 1.926 1.926 203 1HD2 ASN 28 HD22 ASN 28 10.359 -0.340 -0.340 204 2HD2 ASN 28 HD21 ASN 28 8.763 0.198 0.198 205 HA PRO 29 HA PRO 29 9.140 3.632 3.632 206 1HB PRO 29 HB2 PRO 29 12.051 4.133 4.133 207 2HB PRO 29 HB1 PRO 29 10.685 5.067 5.067 208 1HG PRO 29 HG2 PRO 29 12.335 5.913 5.913 209 2HG PRO 29 HG1 PRO 29 10.697 6.519 6.519 210 1HD PRO 29 HD1 PRO 29 11.644 4.656 4.656 211 2HD PRO 29 HD2 PRO 29 10.161 5.649 5.649 212 H ASN 30 HN ASN 30 11.138 1.915 1.915 213 HA ASN 30 HA ASN 30 12.227 0.082 0.082 214 1HB ASN 30 HB2 ASN 30 12.079 -0.168 -0.168 215 2HB ASN 30 HB1 ASN 30 13.160 -1.071 -1.071 216 1HD2 ASN 30 HD22 ASN 30 15.608 1.443 1.443 217 2HD2 ASN 30 HD21 ASN 30 15.246 -0.213 -0.213 218 H VAL 31 HN VAL 31 9.525 0.178 0.178 219 HA VAL 31 HA VAL 31 8.806 -2.598 -2.598 220 HB VAL 31 HB VAL 31 6.869 -2.073 -2.073 221 1HG1 VAL 31 HG22 VAL 31 9.407 -2.774 -2.774 222 2HG1 VAL 31 HG21 VAL 31 9.465 -1.161 -1.161 223 3HG1 VAL 31 HG23 VAL 31 8.307 -2.348 -2.348 224 1HG2 VAL 31 HG11 VAL 31 6.992 0.422 0.422 225 2HG2 VAL 31 HG13 VAL 31 6.852 0.047 0.047 226 3HG2 VAL 31 HG12 VAL 31 8.415 0.498 0.498 227 H LYS 32 HN LYS 32 6.850 -3.155 -3.155 228 HA LYS 32 HA LYS 32 6.011 -1.107 -1.107 229 1HB LYS 32 HB2 LYS 32 5.200 -4.042 -4.042 230 2HB LYS 32 HB1 LYS 32 4.850 -3.038 -3.038 231 1HG LYS 32 HG2 LYS 32 7.687 -3.031 -3.031 232 2HG LYS 32 HG1 LYS 32 7.095 -4.597 -4.597 233 1HD LYS 32 HD2 LYS 32 7.906 -3.289 -3.289 234 2HD LYS 32 HD1 LYS 32 6.150 -3.467 -3.467 235 1HE LYS 32 HE2 LYS 32 7.044 -1.124 -1.124 236 2HE LYS 32 HE1 LYS 32 7.429 -1.050 -1.050 237 1HZ LYS 32 HZ1 LYS 32 4.754 -1.896 -1.896 238 2HZ LYS 32 HZ3 LYS 32 5.149 -0.247 -0.247 239 3HZ LYS 32 HZ2 LYS 32 5.261 -1.054 -1.054 240 H ALA 33 HN ALA 33 3.971 -0.180 -0.180 241 HA ALA 33 HA ALA 33 2.262 -0.754 -0.754 242 1HB ALA 33 HB3 ALA 33 2.747 1.636 1.636 243 2HB ALA 33 HB2 ALA 33 1.201 1.524 1.524 244 3HB ALA 33 HB1 ALA 33 2.705 1.565 1.565 245 H VAL 34 HN VAL 34 0.113 -1.367 -1.367 246 HA VAL 34 HA VAL 34 -0.802 -1.652 -1.652 247 HB VAL 34 HB VAL 34 -1.210 -3.922 -3.922 248 1HG1 VAL 34 HG23 VAL 34 1.114 -3.156 -3.156 249 2HG1 VAL 34 HG22 VAL 34 0.295 -3.784 -3.784 250 3HG1 VAL 34 HG21 VAL 34 0.578 -4.836 -4.836 251 1HG2 VAL 34 HG12 VAL 34 -3.046 -3.395 -3.395 252 2HG2 VAL 34 HG11 VAL 34 -2.129 -4.815 -4.815 253 3HG2 VAL 34 HG13 VAL 34 -1.858 -3.263 -3.263 254 H ILE 35 HN ILE 35 -3.249 -1.985 -1.985 255 HA ILE 35 HA ILE 35 -4.669 -0.800 -0.800 256 HB ILE 35 HB ILE 35 -4.791 0.329 0.329 257 1HG1 ILE 35 HG12 ILE 35 -3.509 1.329 1.329 258 2HG1 ILE 35 HG11 ILE 35 -2.703 0.987 0.987 259 1HG2 ILE 35 HG21 ILE 35 -6.257 0.821 0.821 260 2HG2 ILE 35 HG23 ILE 35 -5.971 2.193 2.193 261 3HG2 ILE 35 HG22 ILE 35 -6.902 0.807 0.807 262 1HD1 ILE 35 HD3 ILE 35 -4.073 2.760 2.760 263 2HD1 ILE 35 HD2 ILE 35 -4.785 3.140 3.140 264 3HD1 ILE 35 HD1 ILE 35 -3.063 3.402 3.402 265 H LEU 36 HN LEU 36 -6.558 -1.895 -1.895 266 HA LEU 36 HA LEU 36 -8.107 -2.800 -2.800 267 1HB LEU 36 HB2 LEU 36 -7.993 -5.248 -5.248 268 2HB LEU 36 HB1 LEU 36 -6.528 -4.646 -4.646 269 HG LEU 36 HG LEU 36 -6.728 -4.054 -4.054 270 1HD1 LEU 36 HD22 LEU 36 -7.656 -6.440 -6.440 271 2HD1 LEU 36 HD21 LEU 36 -6.085 -6.865 -6.865 272 3HD1 LEU 36 HD23 LEU 36 -6.208 -6.344 -6.344 273 1HD2 LEU 36 HD11 LEU 36 -4.791 -3.883 -3.883 274 2HD2 LEU 36 HD13 LEU 36 -4.431 -4.130 -4.130 275 3HD2 LEU 36 HD12 LEU 36 -4.458 -5.506 -5.506 276 H GLU 37 HN GLU 37 -10.109 -4.036 -4.036 277 HA GLU 37 HA GLU 37 -11.114 -2.617 -2.617 278 1HB GLU 37 HB2 GLU 37 -13.283 -3.284 -3.284 279 2HB GLU 37 HB1 GLU 37 -12.344 -3.089 -3.089 280 1HG GLU 37 HG2 GLU 37 -11.723 -5.656 -5.656 281 2HG GLU 37 HG1 GLU 37 -13.350 -5.570 -5.570 282 H GLU 38 HN GLU 38 -12.212 -3.805 -3.805 283 HA GLU 38 HA GLU 38 -10.670 -5.707 -5.707 284 1HB GLU 38 HB2 GLU 38 -13.189 -4.525 -4.525 285 2HB GLU 38 HB1 GLU 38 -13.542 -6.258 -6.258 286 1HG GLU 38 HG2 GLU 38 -11.230 -5.143 -5.143 287 2HG GLU 38 HG1 GLU 38 -12.855 -5.227 -5.227 288 H GLY 39 HN GLY 39 -10.133 -7.778 -7.778 289 1HA GLY 39 HA2 GLY 39 -12.001 -9.712 -9.712 290 2HA GLY 39 HA1 GLY 39 -10.980 -9.137 -9.137 291 H THR 40 HN THR 40 -8.836 -9.818 -9.818 292 HA THR 40 HA THR 40 -8.044 -12.227 -12.227 293 HB THR 40 HB THR 40 -6.445 -9.753 -9.753 294 HG1 THR 40 HG1 THR 40 -7.704 -11.404 -11.404 295 1HG2 THR 40 HG22 THR 40 -5.442 -11.846 -11.846 296 2HG2 THR 40 HG21 THR 40 -4.989 -12.308 -12.308 297 3HG2 THR 40 HG23 THR 40 -4.463 -10.758 -10.758 298 HA PRO 41 HA PRO 41 -8.085 -10.981 -10.981 299 1HB PRO 41 HB2 PRO 41 -7.432 -13.850 -13.850 300 2HB PRO 41 HB1 PRO 41 -8.855 -12.950 -12.950 301 1HG PRO 41 HG2 PRO 41 -8.884 -14.832 -14.832 302 2HG PRO 41 HG1 PRO 41 -10.098 -13.562 -13.562 303 1HD PRO 41 HD1 PRO 41 -7.914 -13.726 -13.726 304 2HD PRO 41 HD2 PRO 41 -9.414 -12.758 -12.758 305 H VAL 42 HN VAL 42 -6.381 -10.705 -10.705 306 HA VAL 42 HA VAL 42 -3.756 -11.871 -11.871 307 HB VAL 42 HB VAL 42 -2.691 -9.727 -9.727 308 1HG1 VAL 42 HG21 VAL 42 -5.550 -9.613 -9.613 309 2HG1 VAL 42 HG23 VAL 42 -4.493 -8.214 -8.214 310 3HG1 VAL 42 HG22 VAL 42 -4.061 -9.749 -9.749 311 1HG2 VAL 42 HG13 VAL 42 -4.796 -9.128 -9.128 312 2HG2 VAL 42 HG12 VAL 42 -3.194 -8.410 -8.410 313 3HG2 VAL 42 HG11 VAL 42 -4.540 -7.808 -7.808 314 H THR 43 HN THR 43 -2.292 -12.065 -12.065 315 HA THR 43 HA THR 43 -3.156 -11.139 -11.139 316 HB THR 43 HB THR 43 -3.159 -13.633 -13.633 317 HG1 THR 43 HG1 THR 43 -2.174 -13.977 -13.977 318 1HG2 THR 43 HG22 THR 43 -5.286 -12.199 -12.199 319 2HG2 THR 43 HG21 THR 43 -5.192 -13.292 -13.292 320 3HG2 THR 43 HG23 THR 43 -5.457 -13.938 -13.938 321 H LYS 44 HN LYS 44 -1.537 -13.594 -13.594 322 HA LYS 44 HA LYS 44 0.868 -12.360 -12.360 323 1HB LYS 44 HB2 LYS 44 -0.225 -14.945 -14.945 324 2HB LYS 44 HB1 LYS 44 1.276 -15.214 -15.214 325 1HG LYS 44 HG2 LYS 44 2.539 -14.736 -14.736 326 2HG LYS 44 HG1 LYS 44 1.631 -13.251 -13.251 327 1HD LYS 44 HD2 LYS 44 -0.024 -15.557 -15.557 328 2HD LYS 44 HD1 LYS 44 1.486 -15.655 -15.655 329 1HE LYS 44 HE2 LYS 44 0.702 -14.075 -14.075 330 2HE LYS 44 HE1 LYS 44 0.610 -12.933 -12.933 331 1HZ LYS 44 HZ2 LYS 44 -1.514 -14.851 -14.851 332 2HZ LYS 44 HZ1 LYS 44 -1.479 -13.856 -13.856 333 3HZ LYS 44 HZ3 LYS 44 -1.567 -13.163 -13.163 334 H ASP 45 HN ASP 45 0.036 -14.256 -14.256 335 HA ASP 45 HA ASP 45 2.698 -13.885 -13.885 336 1HB ASP 45 HB2 ASP 45 0.826 -15.768 -15.768 337 2HB ASP 45 HB1 ASP 45 0.299 -14.656 -14.656 338 H PHE 46 HN PHE 46 3.326 -12.116 -12.116 339 HA PHE 46 HA PHE 46 1.473 -10.654 -10.654 340 1HB PHE 46 HB2 PHE 46 1.169 -9.857 -9.857 341 2HB PHE 46 HB1 PHE 46 2.757 -9.112 -9.112 342 HD1 PHE 46 HD1 PHE 46 -0.578 -9.287 -9.287 343 HD2 PHE 46 HD2 PHE 46 2.909 -6.960 -6.960 344 HE1 PHE 46 HE1 PHE 46 -1.599 -7.377 -7.377 345 HE2 PHE 46 HE2 PHE 46 1.884 -5.053 -5.053 346 HZ PHE 46 HZ1 PHE 46 -0.370 -5.259 -5.259 347 H ARG 47 HN ARG 47 2.651 -8.706 -8.706 348 HA ARG 47 HA ARG 47 5.422 -9.574 -9.574 349 1HB ARG 47 HB2 ARG 47 3.630 -7.476 -7.476 350 2HB ARG 47 HB1 ARG 47 5.216 -7.969 -7.969 351 1HG ARG 47 HG2 ARG 47 2.629 -9.440 -9.440 352 2HG ARG 47 HG1 ARG 47 3.970 -9.471 -9.471 353 1HD ARG 47 HD2 ARG 47 5.309 -10.697 -10.697 354 2HD ARG 47 HD1 ARG 47 3.747 -10.941 -10.941 355 HE ARG 47 HE ARG 47 3.818 -11.743 -11.743 356 1HH1 ARG 47 HH11 ARG 47 3.299 -12.459 -12.459 357 2HH1 ARG 47 HH12 ARG 47 3.426 -14.178 -14.178 358 1HH2 ARG 47 HH21 ARG 47 4.397 -13.965 -13.965 359 2HH2 ARG 47 HH22 ARG 47 4.065 -15.053 -15.053 360 H CYS 48 HN CYS 48 6.791 -8.733 -8.733 361 HA CYS 48 HA CYS 48 6.390 -6.349 -6.349 362 1HB CYS 48 HB2 CYS 48 9.017 -7.654 -7.654 363 2HB CYS 48 HB1 CYS 48 8.807 -6.576 -6.576 364 H ASN 49 HN ASN 49 8.094 -6.928 -6.928 365 HA ASN 49 HA ASN 49 8.738 -4.063 -4.063 366 1HB ASN 49 HB2 ASN 49 10.146 -4.716 -4.716 367 2HB ASN 49 HB1 ASN 49 10.208 -6.116 -6.116 368 1HD2 ASN 49 HD22 ASN 49 8.652 -6.536 -6.536 369 2HD2 ASN 49 HD21 ASN 49 9.381 -5.090 -5.090 370 H ARG 50 HN ARG 50 5.934 -4.867 -4.867 371 HA ARG 50 HA ARG 50 5.191 -3.544 -3.544 372 1HB ARG 50 HB2 ARG 50 4.264 -6.334 -6.334 373 2HB ARG 50 HB1 ARG 50 3.466 -5.394 -5.394 374 1HG ARG 50 HG2 ARG 50 5.895 -5.149 -5.149 375 2HG ARG 50 HG1 ARG 50 6.229 -6.581 -6.581 376 1HD ARG 50 HD2 ARG 50 3.698 -6.812 -6.812 377 2HD ARG 50 HD1 ARG 50 5.099 -6.637 -6.637 378 HE ARG 50 HE ARG 50 4.947 -8.725 -8.725 379 1HH1 ARG 50 HH11 ARG 50 7.434 -7.909 -7.909 380 2HH1 ARG 50 HH12 ARG 50 7.463 -9.190 -9.190 381 1HH2 ARG 50 HH21 ARG 50 4.195 -10.214 -10.214 382 2HH2 ARG 50 HH22 ARG 50 5.581 -10.530 -10.530 383 H VAL 51 HN VAL 51 3.625 -2.080 -2.080 384 HA VAL 51 HA VAL 51 1.992 -2.588 -2.588 385 HB VAL 51 HB VAL 51 3.189 -0.065 -0.065 386 1HG1 VAL 51 HG23 VAL 51 0.738 -0.380 -0.380 387 2HG1 VAL 51 HG22 VAL 51 1.704 1.095 1.095 388 3HG1 VAL 51 HG21 VAL 51 0.889 0.602 0.602 389 1HG2 VAL 51 HG12 VAL 51 3.821 -1.739 -1.739 390 2HG2 VAL 51 HG11 VAL 51 4.417 -0.095 -0.095 391 3HG2 VAL 51 HG13 VAL 51 2.993 -0.384 -0.384 392 H ARG 52 HN ARG 52 0.086 -3.381 -3.381 393 HA ARG 52 HA ARG 52 -1.016 -2.387 -2.387 394 1HB ARG 52 HB2 ARG 52 -2.563 -4.131 -4.131 395 2HB ARG 52 HB1 ARG 52 -2.473 -4.239 -4.239 396 1HG ARG 52 HG2 ARG 52 -0.030 -4.887 -4.887 397 2HG ARG 52 HG1 ARG 52 -0.349 -5.043 -5.043 398 1HD ARG 52 HD2 ARG 52 -2.311 -6.579 -6.579 399 2HD ARG 52 HD1 ARG 52 -1.573 -6.636 -6.636 400 HE ARG 52 HE ARG 52 0.178 -7.284 -7.284 401 1HH1 ARG 52 HH21 ARG 52 -0.410 -7.878 -7.878 402 2HH1 ARG 52 HH22 ARG 52 -0.349 -9.607 -9.607 403 1HH2 ARG 52 HH11 ARG 52 -0.340 -9.647 -9.647 404 2HH2 ARG 52 HH12 ARG 52 -0.307 -10.636 -10.636 405 H ILE 53 HN ILE 53 -3.310 -1.679 -1.679 406 HA ILE 53 HA ILE 53 -4.126 -0.164 -0.164 407 HB ILE 53 HB ILE 53 -4.297 0.831 0.831 408 1HG1 ILE 53 HG12 ILE 53 -2.265 1.335 1.335 409 2HG1 ILE 53 HG11 ILE 53 -1.959 0.760 0.760 410 1HG2 ILE 53 HG21 ILE 53 -5.672 1.618 1.618 411 2HG2 ILE 53 HG23 ILE 53 -4.278 2.698 2.698 412 3HG2 ILE 53 HG22 ILE 53 -5.352 2.679 2.679 413 1HD1 ILE 53 HD3 ILE 53 -3.396 3.148 3.148 414 2HD1 ILE 53 HD2 ILE 53 -2.234 3.490 3.490 415 3HD1 ILE 53 HD1 ILE 53 -1.672 2.913 2.913 416 H TRP 54 HN TRP 54 -6.026 -1.155 -1.155 417 HA TRP 54 HA TRP 54 -7.683 -2.389 -2.389 418 1HB TRP 54 HB2 TRP 54 -7.938 -2.109 -2.109 419 2HB TRP 54 HB1 TRP 54 -9.108 -2.993 -2.993 420 HD1 TRP 54 HD1 TRP 54 -5.512 -3.237 -3.237 421 HE1 TRP 54 HE1 TRP 54 -4.714 -5.571 -5.571 422 HE3 TRP 54 HE3 TRP 54 -9.300 -4.689 -4.689 423 HZ2 TRP 54 HZ2 TRP 54 -5.645 -7.903 -7.903 424 HZ3 TRP 54 HZ3 TRP 54 -9.400 -6.921 -6.921 425 HH2 TRP 54 HH2 TRP 54 -7.575 -8.527 -8.527 426 H VAL 55 HN VAL 55 -10.074 -1.939 -1.939 427 HA VAL 55 HA VAL 55 -10.761 0.830 0.830 428 HB VAL 55 HB VAL 55 -11.716 1.190 1.190 429 1HG1 VAL 55 HG22 VAL 55 -9.142 1.509 1.509 430 2HG1 VAL 55 HG21 VAL 55 -8.848 0.490 0.490 431 3HG1 VAL 55 HG23 VAL 55 -9.654 2.047 2.047 432 1HG2 VAL 55 HG12 VAL 55 -10.332 -1.481 -1.481 433 2HG2 VAL 55 HG11 VAL 55 -11.983 -1.042 -1.042 434 3HG2 VAL 55 HG13 VAL 55 -10.624 -0.401 -0.401 435 H ASN 56 HN ASN 56 -12.792 0.881 0.881 436 HA ASN 56 HA ASN 56 -14.452 -1.544 -1.544 437 1HB ASN 56 HB2 ASN 56 -15.664 -0.278 -0.278 438 2HB ASN 56 HB1 ASN 56 -14.254 -1.310 -1.310 439 1HD2 ASN 56 HD22 ASN 56 -13.951 2.564 2.564 440 2HD2 ASN 56 HD21 ASN 56 -15.434 1.788 1.788 441 H LYS 57 HN LYS 57 -16.330 -1.393 -1.393 442 HA LYS 57 HA LYS 57 -17.062 0.768 0.768 443 1HB LYS 57 HB2 LYS 57 -18.285 -1.722 -1.722 444 2HB LYS 57 HB1 LYS 57 -19.510 -0.462 -0.462 445 1HG LYS 57 HG2 LYS 57 -17.436 -0.857 -0.857 446 2HG LYS 57 HG1 LYS 57 -18.849 -1.917 -1.917 447 1HD LYS 57 HD2 LYS 57 -20.236 -0.277 -0.277 448 2HD LYS 57 HD1 LYS 57 -19.539 0.906 0.906 449 1HE LYS 57 HE2 LYS 57 -17.701 1.358 1.358 450 2HE LYS 57 HE1 LYS 57 -18.144 -0.004 -0.004 451 1HZ LYS 57 HZ3 LYS 57 -20.273 1.859 1.859 452 2HZ LYS 57 HZ2 LYS 57 -18.906 2.561 2.561 453 3HZ LYS 57 HZ1 LYS 57 -19.641 1.206 1.206 454 H ARG 58 HN ARG 58 -17.406 0.406 0.406 455 HA ARG 58 HA ARG 58 -19.621 1.959 1.959 456 1HB ARG 58 HB2 ARG 58 -16.913 2.269 2.269 457 2HB ARG 58 HB1 ARG 58 -18.513 2.347 2.347 458 1HG ARG 58 HG2 ARG 58 -17.640 -0.147 -0.147 459 2HG ARG 58 HG1 ARG 58 -17.158 0.126 0.126 460 1HD ARG 58 HD2 ARG 58 -19.552 0.465 0.465 461 2HD ARG 58 HD1 ARG 58 -20.010 0.096 0.096 462 HE ARG 58 HE ARG 58 -18.423 -1.922 -1.922 463 1HH1 ARG 58 HH11 ARG 58 -20.123 -2.021 -2.021 464 2HH1 ARG 58 HH12 ARG 58 -21.440 -3.012 -3.012 465 1HH2 ARG 58 HH21 ARG 58 -20.613 -2.639 -2.639 466 2HH2 ARG 58 HH22 ARG 58 -21.725 -3.371 -3.371 467 H GLY 59 HN GLY 59 -16.842 2.880 2.880 468 1HA GLY 59 HA2 GLY 59 -16.777 4.960 4.960 469 2HA GLY 59 HA1 GLY 59 -17.769 5.692 5.692 470 H LEU 60 HN LEU 60 -14.901 3.662 3.662 471 HA LEU 60 HA LEU 60 -13.238 5.999 5.999 472 1HB LEU 60 HB2 LEU 60 -14.607 4.401 4.401 473 2HB LEU 60 HB1 LEU 60 -12.939 4.896 4.896 474 HG LEU 60 HG LEU 60 -14.408 7.094 7.094 475 1HD1 LEU 60 HD22 LEU 60 -15.930 5.393 5.393 476 2HD1 LEU 60 HD21 LEU 60 -15.516 6.844 6.844 477 3HD1 LEU 60 HD23 LEU 60 -16.395 6.982 6.982 478 1HD2 LEU 60 HD11 LEU 60 -12.320 7.199 7.199 479 2HD2 LEU 60 HD13 LEU 60 -13.597 8.218 8.218 480 3HD2 LEU 60 HD12 LEU 60 -13.239 6.659 6.659 481 H VAL 61 HN VAL 61 -11.022 5.415 5.415 482 HA VAL 61 HA VAL 61 -10.349 2.816 2.816 483 HB VAL 61 HB VAL 61 -8.535 5.069 5.069 484 1HG1 VAL 61 HG22 VAL 61 -7.514 2.768 2.768 485 2HG1 VAL 61 HG21 VAL 61 -8.095 2.853 2.853 486 3HG1 VAL 61 HG23 VAL 61 -6.882 3.999 3.999 487 1HG2 VAL 61 HG11 VAL 61 -10.388 5.308 5.308 488 2HG2 VAL 61 HG13 VAL 61 -8.840 6.154 6.154 489 3HG2 VAL 61 HG12 VAL 61 -9.031 4.650 4.650 490 H VAL 62 HN VAL 62 -8.327 1.738 1.738 491 HA VAL 62 HA VAL 62 -8.342 1.918 1.918 492 HB VAL 62 HB VAL 62 -8.745 -0.825 -0.825 493 1HG1 VAL 62 HG23 VAL 62 -10.618 1.527 1.527 494 2HG1 VAL 62 HG22 VAL 62 -11.205 -0.131 -0.131 495 3HG1 VAL 62 HG21 VAL 62 -9.923 0.436 0.436 496 1HG2 VAL 62 HG13 VAL 62 -9.978 0.626 0.626 497 2HG2 VAL 62 HG12 VAL 62 -9.523 -1.072 -1.072 498 3HG2 VAL 62 HG11 VAL 62 -11.035 -0.504 -0.504 499 H SER 63 HN SER 63 -6.163 2.540 2.540 500 HA SER 63 HA SER 63 -4.535 0.209 0.209 501 1HB SER 63 HB2 SER 63 -2.806 1.961 1.961 502 2HB SER 63 HB1 SER 63 -4.376 2.537 2.537 503 HG SER 63 HG SER 63 -3.024 3.888 3.888 504 HA PRO 64 HA PRO 64 -3.618 -0.321 -0.321 505 1HB PRO 64 HB2 PRO 64 -1.609 -2.263 -2.263 506 2HB PRO 64 HB1 PRO 64 -3.012 -2.565 -2.565 507 1HG PRO 64 HG2 PRO 64 -2.857 -3.308 -3.308 508 2HG PRO 64 HG1 PRO 64 -4.370 -3.093 -3.093 509 1HD PRO 64 HD1 PRO 64 -3.163 -1.325 -1.325 510 2HD PRO 64 HD2 PRO 64 -4.853 -1.407 -1.407 511 HA PRO 65 HA PRO 65 -0.060 2.415 2.415 512 1HB PRO 65 HB2 PRO 65 -0.687 3.277 3.277 513 2HB PRO 65 HB1 PRO 65 -0.771 4.228 4.228 514 1HG PRO 65 HG2 PRO 65 -2.996 3.369 3.369 515 2HG PRO 65 HG1 PRO 65 -3.029 3.848 3.848 516 1HD PRO 65 HD1 PRO 65 -3.119 1.105 1.105 517 2HD PRO 65 HD2 PRO 65 -3.718 1.679 1.679 518 H ARG 66 HN ARG 66 -0.034 -0.407 -0.407 519 HA ARG 66 HA ARG 66 2.400 -0.072 -0.072 520 1HB ARG 66 HB2 ARG 66 1.271 -2.023 -2.023 521 2HB ARG 66 HB1 ARG 66 0.938 -0.320 -0.320 522 1HG ARG 66 HG2 ARG 66 -1.058 -0.431 -0.431 523 2HG ARG 66 HG1 ARG 66 -0.750 -2.154 -2.154 524 1HD ARG 66 HD2 ARG 66 -0.929 -2.529 -2.529 525 2HD ARG 66 HD1 ARG 66 -1.327 -0.811 -0.811 526 HE ARG 66 HE ARG 66 -3.394 -1.227 -1.227 527 1HH1 ARG 66 HH21 ARG 66 -2.236 -3.768 -3.768 528 2HH1 ARG 66 HH22 ARG 66 -3.174 -4.990 -4.990 529 1HH2 ARG 66 HH11 ARG 66 -4.292 -2.797 -2.797 530 2HH2 ARG 66 HH12 ARG 66 -4.369 -4.426 -4.426 531 H ILE 67 HN ILE 67 3.905 -1.606 -1.606 532 HA ILE 67 HA ILE 67 2.961 -3.800 -3.800 533 HB ILE 67 HB ILE 67 5.679 -2.438 -2.438 534 1HG1 ILE 67 HG12 ILE 67 4.136 -2.722 -2.722 535 2HG1 ILE 67 HG11 ILE 67 3.632 -1.496 -1.496 536 1HG2 ILE 67 HG21 ILE 67 5.761 -4.973 -4.973 537 2HG2 ILE 67 HG23 ILE 67 4.895 -4.658 -4.658 538 3HG2 ILE 67 HG22 ILE 67 6.509 -3.990 -3.990 539 1HD1 ILE 67 HD1 ILE 67 6.543 -1.726 -1.726 540 2HD1 ILE 67 HD3 ILE 67 5.474 -0.925 -0.925 541 3HD1 ILE 67 HD2 ILE 67 5.620 -0.307 -0.307 542 H GLY 68 HN GLY 68 4.430 -5.829 -5.829 543 1HA GLY 68 HA2 GLY 68 4.379 -6.644 -6.644 544 2HA GLY 68 HA1 GLY 68 4.745 -7.687 -7.687
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