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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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4951 |
1g2s ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H THR 1 HT1 THR 1 4.428 6.420 10.474 2 2H THR 1 HT2 THR 1 5.587 5.752 9.426 3 3H THR 1 HT3 THR 1 4.216 6.530 8.794 4 HA THR 1 HA THR 1 5.927 8.103 8.547 5 HB THR 1 HB THR 1 4.538 8.676 11.180 6 HG1 THR 1 HG1 THR 1 2.993 7.925 9.788 7 1HG2 THR 1 HG21 THR 1 6.254 10.298 10.208 8 2HG2 THR 1 HG22 THR 1 4.649 10.963 10.511 9 3HG2 THR 1 HG23 THR 1 5.129 10.533 8.870 10 H ARG 2 HN ARG 2 6.091 6.299 11.548 11 HA ARG 2 HA ARG 2 8.868 7.355 11.976 12 1HB ARG 2 HB2 ARG 2 6.595 7.611 13.589 13 2HB ARG 2 HB1 ARG 2 7.515 6.307 14.340 14 1HG ARG 2 HG2 ARG 2 8.449 8.202 15.345 15 2HG ARG 2 HG1 ARG 2 9.560 7.911 14.007 16 1HD ARG 2 HD2 ARG 2 9.143 10.159 13.630 17 2HD ARG 2 HD1 ARG 2 7.761 9.488 12.740 18 HE ARG 2 HE ARG 2 6.461 9.728 14.912 19 1HH1 ARG 2 HH21 ARG 2 9.138 10.598 16.283 20 2HH1 ARG 2 HH22 ARG 2 8.818 12.286 16.502 21 1HH2 ARG 2 HH11 ARG 2 6.113 12.325 14.332 22 2HH2 ARG 2 HH12 ARG 2 7.105 13.263 15.397 23 H GLY 3 HN GLY 3 8.353 5.068 10.376 24 1HA GLY 3 HA2 GLY 3 9.302 2.881 12.186 25 2HA GLY 3 HA1 GLY 3 8.219 2.571 10.828 26 H SER 4 HN SER 4 9.095 2.356 8.778 27 HA SER 4 HA SER 4 12.067 2.723 8.552 28 1HB SER 4 HB2 SER 4 11.762 0.412 8.544 29 2HB SER 4 HB1 SER 4 10.170 0.525 7.800 30 HG SER 4 HG SER 4 12.725 0.668 6.641 31 H ASP 5 HN ASP 5 11.718 4.847 7.578 32 HA ASP 5 HA ASP 5 10.002 5.312 5.323 33 1HB ASP 5 HB2 ASP 5 11.283 6.877 7.006 34 2HB ASP 5 HB1 ASP 5 12.585 6.773 5.820 35 H ILE 6 HN ILE 6 13.044 3.683 5.603 36 HA ILE 6 HA ILE 6 13.735 4.076 2.745 37 HB ILE 6 HB ILE 6 15.058 2.436 4.931 38 1HG1 ILE 6 HG12 ILE 6 15.770 5.236 4.015 39 2HG1 ILE 6 HG11 ILE 6 14.777 4.913 5.437 40 1HG2 ILE 6 HG21 ILE 6 15.527 2.405 2.228 41 2HG2 ILE 6 HG22 ILE 6 16.739 2.032 3.453 42 3HG2 ILE 6 HG23 ILE 6 16.649 3.653 2.767 43 1HD1 ILE 6 HD11 ILE 6 16.785 3.278 6.040 44 2HD1 ILE 6 HD12 ILE 6 16.866 4.997 6.429 45 3HD1 ILE 6 HD13 ILE 6 17.687 4.377 4.996 46 H SER 7 HN SER 7 11.260 2.661 3.282 47 HA SER 7 HA SER 7 11.902 -0.195 2.820 48 1HB SER 7 HB2 SER 7 10.067 0.998 4.361 49 2HB SER 7 HB1 SER 7 9.127 0.911 2.874 50 HG SER 7 HG SER 7 9.321 -1.279 2.885 51 H LYS 8 HN LYS 8 12.615 1.597 0.685 52 HA LYS 8 HA LYS 8 10.527 1.646 -1.339 53 1HB LYS 8 HB2 LYS 8 13.173 2.644 -0.880 54 2HB LYS 8 HB1 LYS 8 13.163 1.820 -2.439 55 1HG LYS 8 HG2 LYS 8 11.505 3.225 -3.320 56 2HG LYS 8 HG1 LYS 8 10.944 3.721 -1.722 57 1HD LYS 8 HD2 LYS 8 12.398 5.441 -1.662 58 2HD LYS 8 HD1 LYS 8 13.746 4.389 -2.098 59 1HE LYS 8 HE2 LYS 8 13.668 5.825 -3.952 60 2HE LYS 8 HE1 LYS 8 12.627 4.500 -4.509 61 1HZ LYS 8 HZ1 LYS 8 11.538 6.747 -2.927 62 2HZ LYS 8 HZ2 LYS 8 10.707 5.654 -3.929 63 3HZ LYS 8 HZ3 LYS 8 11.685 6.863 -4.613 64 H THR 9 HN THR 9 10.257 -0.878 -0.722 65 HA THR 9 HA THR 9 12.079 -2.539 -2.406 66 HB THR 9 HB THR 9 11.705 -3.168 -0.052 67 HG1 THR 9 HG1 THR 9 11.975 -4.962 -1.191 68 1HG2 THR 9 HG21 THR 9 9.592 -2.276 0.483 69 2HG2 THR 9 HG22 THR 9 9.310 -4.017 0.458 70 3HG2 THR 9 HG23 THR 9 8.823 -3.025 -0.916 71 H CYS 10 HN CYS 10 11.190 -3.899 -4.050 72 HA CYS 10 HA CYS 10 8.779 -2.878 -5.350 73 1HB CYS 10 HB2 CYS 10 10.571 -5.262 -5.927 74 2HB CYS 10 HB1 CYS 10 9.427 -4.536 -7.053 75 H CYS 11 HN CYS 11 7.315 -4.850 -6.272 76 HA CYS 11 HA CYS 11 6.636 -6.653 -3.974 77 1HB CYS 11 HB2 CYS 11 4.966 -4.728 -5.575 78 2HB CYS 11 HB1 CYS 11 4.210 -6.146 -4.849 79 H PHE 12 HN PHE 12 4.780 -8.241 -4.960 80 HA PHE 12 HA PHE 12 5.244 -8.976 -7.765 81 1HB PHE 12 HB2 PHE 12 6.828 -10.021 -5.606 82 2HB PHE 12 HB1 PHE 12 5.846 -11.327 -6.272 83 HD1 PHE 12 HD1 PHE 12 5.601 -10.813 -9.066 84 HD2 PHE 12 HD2 PHE 12 8.975 -10.081 -6.511 85 HE1 PHE 12 HE1 PHE 12 7.115 -10.951 -11.026 86 HE2 PHE 12 HE2 PHE 12 10.489 -10.219 -8.471 87 HZ PHE 12 HZ PHE 12 9.559 -10.654 -10.728 88 H GLN 13 HN GLN 13 4.260 -10.666 -4.758 89 HA GLN 13 HA GLN 13 1.939 -11.860 -6.059 90 1HB GLN 13 HB2 GLN 13 3.262 -11.819 -3.380 91 2HB GLN 13 HB1 GLN 13 1.578 -12.341 -3.446 92 1HG GLN 13 HG2 GLN 13 2.231 -13.947 -5.278 93 2HG GLN 13 HG1 GLN 13 3.915 -13.522 -4.969 94 1HE2 GLN 13 HE21 GLN 13 4.062 -15.927 -4.364 95 2HE2 GLN 13 HE22 GLN 13 3.646 -16.369 -2.779 96 H TYR 14 HN TYR 14 -0.247 -11.254 -5.752 97 HA TYR 14 HA TYR 14 -0.713 -8.700 -4.270 98 1HB TYR 14 HB2 TYR 14 -1.894 -9.613 -6.912 99 2HB TYR 14 HB1 TYR 14 -2.214 -8.071 -6.118 100 HD1 TYR 14 HD1 TYR 14 0.315 -7.117 -5.185 101 HD2 TYR 14 HD2 TYR 14 -0.558 -9.270 -8.798 102 HE1 TYR 14 HE1 TYR 14 2.333 -6.147 -6.251 103 HE2 TYR 14 HE2 TYR 14 1.460 -8.300 -9.864 104 HH TYR 14 HH TYR 14 3.827 -6.531 -8.045 105 H SER 15 HN SER 15 -2.132 -9.095 -2.622 106 HA SER 15 HA SER 15 -3.776 -11.507 -2.553 107 1HB SER 15 HB2 SER 15 -2.793 -9.438 -0.797 108 2HB SER 15 HB1 SER 15 -4.524 -9.648 -0.548 109 HG SER 15 HG SER 15 -4.160 -11.557 0.267 110 H HIS 16 HN HIS 16 -6.002 -11.630 -2.902 111 HA HIS 16 HA HIS 16 -7.332 -9.135 -3.905 112 1HB HIS 16 HB2 HIS 16 -6.813 -11.392 -5.267 113 2HB HIS 16 HB1 HIS 16 -8.340 -11.876 -4.528 114 HD1 HIS 16 HD1 HIS 16 -10.476 -10.768 -5.379 115 HD2 HIS 16 HD2 HIS 16 -7.029 -9.095 -7.020 116 HE1 HIS 16 HE1 HIS 16 -11.243 -9.221 -7.231 117 H LYS 17 HN LYS 17 -7.789 -8.810 -1.481 118 HA LYS 17 HA LYS 17 -10.487 -9.722 -0.881 119 1HB LYS 17 HB2 LYS 17 -8.092 -11.124 0.131 120 2HB LYS 17 HB1 LYS 17 -9.273 -10.714 1.375 121 1HG LYS 17 HG2 LYS 17 -10.682 -11.699 -0.917 122 2HG LYS 17 HG1 LYS 17 -9.398 -12.840 -0.517 123 1HD LYS 17 HD2 LYS 17 -10.198 -13.121 1.708 124 2HD LYS 17 HD1 LYS 17 -11.255 -11.715 1.585 125 1HE LYS 17 HE2 LYS 17 -12.030 -13.399 -0.540 126 2HE LYS 17 HE1 LYS 17 -11.823 -14.464 0.865 127 1HZ LYS 17 HZ1 LYS 17 -14.010 -13.513 0.949 128 2HZ LYS 17 HZ2 LYS 17 -13.391 -11.942 0.762 129 3HZ LYS 17 HZ3 LYS 17 -13.080 -12.818 2.185 130 HA PRO 18 HA PRO 18 -10.158 -5.992 1.458 131 1HB PRO 18 HB2 PRO 18 -12.375 -6.242 3.040 132 2HB PRO 18 HB1 PRO 18 -12.461 -5.839 1.313 133 1HG PRO 18 HG2 PRO 18 -12.930 -8.438 2.675 134 2HG PRO 18 HG1 PRO 18 -13.761 -7.724 1.285 135 1HD PRO 18 HD2 PRO 18 -11.866 -9.691 1.090 136 2HD PRO 18 HD1 PRO 18 -12.229 -8.530 -0.205 137 H LEU 19 HN LEU 19 -8.469 -6.003 2.925 138 HA LEU 19 HA LEU 19 -8.146 -7.963 5.023 139 1HB LEU 19 HB2 LEU 19 -6.622 -6.080 3.729 140 2HB LEU 19 HB1 LEU 19 -6.867 -5.312 5.298 141 HG LEU 19 HG LEU 19 -6.235 -8.161 5.527 142 1HD1 LEU 19 HD11 LEU 19 -4.769 -8.045 3.725 143 2HD1 LEU 19 HD12 LEU 19 -3.720 -7.502 5.036 144 3HD1 LEU 19 HD13 LEU 19 -4.462 -6.323 3.954 145 1HD2 LEU 19 HD21 LEU 19 -4.994 -7.411 7.360 146 2HD2 LEU 19 HD22 LEU 19 -6.215 -6.145 7.228 147 3HD2 LEU 19 HD23 LEU 19 -4.594 -5.876 6.587 148 HA PRO 20 HA PRO 20 -10.800 -6.199 8.080 149 1HB PRO 20 HB2 PRO 20 -9.521 -7.033 10.358 150 2HB PRO 20 HB1 PRO 20 -10.484 -8.118 9.335 151 1HG PRO 20 HG2 PRO 20 -7.527 -7.746 9.438 152 2HG PRO 20 HG1 PRO 20 -8.471 -9.238 9.289 153 1HD PRO 20 HD2 PRO 20 -7.266 -8.064 7.173 154 2HD PRO 20 HD1 PRO 20 -8.787 -8.972 7.025 155 H TRP 21 HN TRP 21 -10.652 -3.972 8.164 156 HA TRP 21 HA TRP 21 -8.425 -2.324 8.371 157 1HB TRP 21 HB2 TRP 21 -11.232 -2.062 9.478 158 2HB TRP 21 HB1 TRP 21 -10.095 -0.714 9.414 159 HD1 TRP 21 HD1 TRP 21 -12.393 -2.788 7.278 160 HE1 TRP 21 HE1 TRP 21 -12.372 -1.890 4.861 161 HE3 TRP 21 HE3 TRP 21 -8.491 0.492 7.588 162 HZ2 TRP 21 HZ2 TRP 21 -10.893 -0.029 3.270 163 HZ3 TRP 21 HZ3 TRP 21 -7.798 1.812 5.610 164 HH2 TRP 21 HH2 TRP 21 -8.994 1.557 3.452 165 H THR 22 HN THR 22 -9.934 -4.186 10.941 166 HA THR 22 HA THR 22 -8.954 -2.850 13.236 167 HB THR 22 HB THR 22 -8.945 -5.325 14.091 168 HG1 THR 22 HG1 THR 22 -9.251 -6.764 12.617 169 1HG2 THR 22 HG21 THR 22 -11.514 -4.394 12.812 170 2HG2 THR 22 HG22 THR 22 -10.817 -3.555 14.198 171 3HG2 THR 22 HG23 THR 22 -11.298 -5.246 14.342 172 H TRP 23 HN TRP 23 -7.342 -5.063 10.994 173 HA TRP 23 HA TRP 23 -4.818 -4.823 12.561 174 1HB TRP 23 HB2 TRP 23 -6.031 -6.788 10.650 175 2HB TRP 23 HB1 TRP 23 -4.276 -6.722 10.782 176 HD1 TRP 23 HD1 TRP 23 -5.688 -5.812 14.044 177 HE1 TRP 23 HE1 TRP 23 -5.640 -7.816 15.664 178 HE3 TRP 23 HE3 TRP 23 -4.714 -9.590 10.747 179 HZ2 TRP 23 HZ2 TRP 23 -5.242 -10.645 15.575 180 HZ3 TRP 23 HZ3 TRP 23 -4.507 -11.927 11.542 181 HH2 TRP 23 HH2 TRP 23 -4.770 -12.460 13.949 182 H VAL 24 HN VAL 24 -6.270 -3.141 10.153 183 HA VAL 24 HA VAL 24 -3.938 -3.016 8.336 184 HB VAL 24 HB VAL 24 -6.611 -1.585 8.304 185 1HG1 VAL 24 HG11 VAL 24 -4.330 -0.951 6.918 186 2HG1 VAL 24 HG12 VAL 24 -5.964 -0.629 6.338 187 3HG1 VAL 24 HG13 VAL 24 -5.110 -2.078 5.808 188 1HG2 VAL 24 HG21 VAL 24 -7.461 -3.331 7.012 189 2HG2 VAL 24 HG22 VAL 24 -6.423 -4.222 8.125 190 3HG2 VAL 24 HG23 VAL 24 -5.861 -3.860 6.494 191 H ARG 25 HN ARG 25 -2.687 -1.099 8.091 192 HA ARG 25 HA ARG 25 -3.128 0.992 10.200 193 1HB ARG 25 HB2 ARG 25 -1.235 -0.482 10.695 194 2HB ARG 25 HB1 ARG 25 -0.567 -0.197 9.087 195 1HG ARG 25 HG2 ARG 25 0.348 1.772 9.710 196 2HG ARG 25 HG1 ARG 25 -1.137 2.293 10.506 197 1HD ARG 25 HD2 ARG 25 -0.563 0.884 12.475 198 2HD ARG 25 HD1 ARG 25 0.961 0.434 11.683 199 HE ARG 25 HE ARG 25 1.767 2.643 12.054 200 1HH1 ARG 25 HH11 ARG 25 -0.679 2.154 14.143 201 2HH1 ARG 25 HH12 ARG 25 -1.237 3.791 14.227 202 1HH2 ARG 25 HH21 ARG 25 0.654 4.854 11.522 203 2HH2 ARG 25 HH22 ARG 25 -0.483 5.320 12.743 204 H SER 26 HN SER 26 -1.183 0.530 7.213 205 HA SER 26 HA SER 26 -2.418 2.955 6.036 206 1HB SER 26 HB2 SER 26 -0.420 4.219 6.037 207 2HB SER 26 HB1 SER 26 -0.435 3.479 7.635 208 HG SER 26 HG SER 26 0.897 1.813 6.745 209 H TYR 27 HN TYR 27 -0.256 3.277 4.123 210 HA TYR 27 HA TYR 27 0.060 0.666 2.787 211 1HB TYR 27 HB2 TYR 27 -1.446 1.076 1.042 212 2HB TYR 27 HB1 TYR 27 -2.284 1.840 2.386 213 HD1 TYR 27 HD1 TYR 27 -0.992 2.303 -0.893 214 HD2 TYR 27 HD2 TYR 27 -1.759 4.381 2.785 215 HE1 TYR 27 HE1 TYR 27 -0.923 4.463 -2.102 216 HE2 TYR 27 HE2 TYR 27 -1.693 6.544 1.576 217 HH TYR 27 HH TYR 27 -1.767 6.748 -1.829 218 H GLU 28 HN GLU 28 0.927 1.390 0.343 219 HA GLU 28 HA GLU 28 2.477 3.803 0.163 220 1HB GLU 28 HB2 GLU 28 4.706 2.808 0.613 221 2HB GLU 28 HB1 GLU 28 3.673 2.707 2.038 222 1HG GLU 28 HG2 GLU 28 3.030 0.372 1.269 223 2HG GLU 28 HG1 GLU 28 4.320 0.500 0.073 224 H PHE 29 HN PHE 29 3.160 4.017 -1.967 225 HA PHE 29 HA PHE 29 2.550 1.820 -3.830 226 1HB PHE 29 HB2 PHE 29 2.420 4.570 -3.870 227 2HB PHE 29 HB1 PHE 29 3.885 4.264 -4.804 228 HD1 PHE 29 HD1 PHE 29 3.649 2.196 -6.512 229 HD2 PHE 29 HD2 PHE 29 0.401 4.586 -5.032 230 HE1 PHE 29 HE1 PHE 29 2.273 1.536 -8.466 231 HE2 PHE 29 HE2 PHE 29 -0.975 3.925 -6.987 232 HZ PHE 29 HZ PHE 29 -0.039 2.400 -8.703 233 H THR 30 HN THR 30 4.128 0.779 -5.149 234 HA THR 30 HA THR 30 6.716 0.332 -3.987 235 HB THR 30 HB THR 30 7.002 -0.671 -6.423 236 HG1 THR 30 HG1 THR 30 5.226 0.544 -7.233 237 1HG2 THR 30 HG21 THR 30 6.494 -1.866 -4.233 238 2HG2 THR 30 HG22 THR 30 5.882 -2.653 -5.688 239 3HG2 THR 30 HG23 THR 30 4.788 -1.731 -4.657 240 H SER 31 HN SER 31 8.724 0.574 -5.594 241 HA SER 31 HA SER 31 9.058 3.452 -6.052 242 1HB SER 31 HB2 SER 31 10.724 1.810 -5.031 243 2HB SER 31 HB1 SER 31 10.947 1.162 -6.653 244 HG SER 31 HG SER 31 12.327 3.026 -5.767 245 H ASN 32 HN ASN 32 10.249 4.052 -8.197 246 HA ASN 32 HA ASN 32 8.554 3.163 -10.436 247 1HB ASN 32 HB2 ASN 32 10.506 5.326 -9.795 248 2HB ASN 32 HB1 ASN 32 10.299 4.920 -11.499 249 1HD2 ASN 32 HD21 ASN 32 9.076 6.922 -9.112 250 2HD2 ASN 32 HD22 ASN 32 7.525 7.185 -9.749 251 H SER 33 HN SER 33 11.816 2.645 -9.249 252 HA SER 33 HA SER 33 12.968 1.658 -11.709 253 1HB SER 33 HB2 SER 33 14.209 2.494 -9.716 254 2HB SER 33 HB1 SER 33 13.646 1.098 -8.802 255 HG SER 33 HG SER 33 15.534 0.409 -9.578 256 H CYS 34 HN CYS 34 10.933 0.242 -9.234 257 HA CYS 34 HA CYS 34 11.488 -2.514 -9.539 258 1HB CYS 34 HB2 CYS 34 8.903 -1.002 -9.047 259 2HB CYS 34 HB1 CYS 34 9.093 -2.737 -8.793 260 H SER 35 HN SER 35 10.651 -4.101 -10.977 261 HA SER 35 HA SER 35 9.953 -3.130 -13.657 262 1HB SER 35 HB2 SER 35 10.350 -5.849 -12.383 263 2HB SER 35 HB1 SER 35 10.001 -5.630 -14.096 264 HG SER 35 HG SER 35 12.321 -5.271 -12.720 265 H GLN 36 HN GLN 36 8.161 -3.889 -10.860 266 HA GLN 36 HA GLN 36 5.686 -4.172 -12.513 267 1HB GLN 36 HB2 GLN 36 6.884 -6.284 -11.330 268 2HB GLN 36 HB1 GLN 36 5.913 -5.711 -9.973 269 1HG GLN 36 HG2 GLN 36 3.903 -5.728 -11.457 270 2HG GLN 36 HG1 GLN 36 4.895 -6.427 -12.738 271 1HE2 GLN 36 HE21 GLN 36 2.641 -7.830 -11.609 272 2HE2 GLN 36 HE22 GLN 36 3.231 -9.195 -10.790 273 H ARG 37 HN ARG 37 5.162 -1.961 -11.966 274 HA ARG 37 HA ARG 37 5.234 -0.815 -9.366 275 1HB ARG 37 HB2 ARG 37 3.335 -0.363 -11.694 276 2HB ARG 37 HB1 ARG 37 3.599 0.766 -10.365 277 1HG ARG 37 HG2 ARG 37 5.548 1.514 -11.242 278 2HG ARG 37 HG1 ARG 37 6.091 -0.117 -11.637 279 1HD ARG 37 HD2 ARG 37 5.319 0.020 -13.785 280 2HD ARG 37 HD1 ARG 37 3.845 0.879 -13.296 281 HE ARG 37 HE ARG 37 6.490 2.276 -13.288 282 1HH1 ARG 37 HH21 ARG 37 5.181 2.309 -15.950 283 2HH1 ARG 37 HH22 ARG 37 4.207 3.739 -15.876 284 1HH2 ARG 37 HH11 ARG 37 4.368 3.990 -12.422 285 2HH2 ARG 37 HH12 ARG 37 3.747 4.691 -13.879 286 H ALA 38 HN ALA 38 3.976 -1.201 -7.578 287 HA ALA 38 HA ALA 38 1.215 -2.196 -7.881 288 1HB ALA 38 HB1 ALA 38 1.684 -4.207 -6.551 289 2HB ALA 38 HB2 ALA 38 3.375 -3.730 -6.401 290 3HB ALA 38 HB3 ALA 38 2.722 -4.180 -7.976 291 H VAL 39 HN VAL 39 -0.031 -1.835 -5.960 292 HA VAL 39 HA VAL 39 1.110 0.159 -4.114 293 HB VAL 39 HB VAL 39 -1.618 -1.150 -4.376 294 1HG1 VAL 39 HG11 VAL 39 -0.726 1.275 -2.784 295 2HG1 VAL 39 HG12 VAL 39 -1.233 -0.273 -2.108 296 3HG1 VAL 39 HG13 VAL 39 -2.395 0.735 -2.971 297 1HG2 VAL 39 HG21 VAL 39 -0.449 0.517 -6.159 298 2HG2 VAL 39 HG22 VAL 39 -1.131 1.705 -5.048 299 3HG2 VAL 39 HG23 VAL 39 -2.183 0.528 -5.834 300 H ILE 40 HN ILE 40 0.869 -0.159 -1.729 301 HA ILE 40 HA ILE 40 0.895 -3.033 -0.902 302 HB ILE 40 HB ILE 40 2.885 -0.815 -0.360 303 1HG1 ILE 40 HG12 ILE 40 3.562 -3.610 -1.196 304 2HG1 ILE 40 HG11 ILE 40 2.895 -2.511 -2.403 305 1HG2 ILE 40 HG21 ILE 40 2.444 -3.427 1.082 306 2HG2 ILE 40 HG22 ILE 40 2.648 -1.817 1.771 307 3HG2 ILE 40 HG23 ILE 40 4.025 -2.648 1.048 308 1HD1 ILE 40 HD11 ILE 40 4.719 -0.866 -1.312 309 2HD1 ILE 40 HD12 ILE 40 5.111 -1.954 -2.643 310 3HD1 ILE 40 HD13 ILE 40 5.512 -2.407 -0.987 311 H PHE 41 HN PHE 41 -0.181 -3.386 1.034 312 HA PHE 41 HA PHE 41 -1.258 -0.985 2.474 313 1HB PHE 41 HB2 PHE 41 -2.288 -3.801 2.000 314 2HB PHE 41 HB1 PHE 41 -3.032 -2.703 3.160 315 HD1 PHE 41 HD1 PHE 41 -2.890 -0.104 1.833 316 HD2 PHE 41 HD2 PHE 41 -3.751 -3.976 0.185 317 HE1 PHE 41 HE1 PHE 41 -4.180 0.961 0.001 318 HE2 PHE 41 HE2 PHE 41 -5.038 -2.912 -1.646 319 HZ PHE 41 HZ PHE 41 -5.255 -0.447 -1.736 320 H THR 42 HN THR 42 -0.413 -0.768 4.540 321 HA THR 42 HA THR 42 1.104 -3.052 5.656 322 HB THR 42 HB THR 42 1.049 -0.506 7.112 323 HG1 THR 42 HG1 THR 42 2.212 -0.518 4.545 324 1HG2 THR 42 HG21 THR 42 2.806 -2.674 6.520 325 2HG2 THR 42 HG22 THR 42 3.041 -1.361 7.673 326 3HG2 THR 42 HG23 THR 42 3.577 -1.175 6.005 327 H THR 43 HN THR 43 0.589 -4.024 7.612 328 HA THR 43 HA THR 43 -2.127 -3.442 8.686 329 HB THR 43 HB THR 43 -1.644 -5.741 9.764 330 HG1 THR 43 HG1 THR 43 0.157 -6.709 9.214 331 1HG2 THR 43 HG21 THR 43 -2.358 -4.980 7.070 332 2HG2 THR 43 HG22 THR 43 -2.982 -6.308 8.049 333 3HG2 THR 43 HG23 THR 43 -1.537 -6.540 7.064 334 H LYS 44 HN LYS 44 -2.109 -4.223 11.198 335 HA LYS 44 HA LYS 44 -0.505 -2.223 12.602 336 1HB LYS 44 HB2 LYS 44 -2.537 -4.329 13.362 337 2HB LYS 44 HB1 LYS 44 -1.770 -3.290 14.563 338 1HG LYS 44 HG2 LYS 44 -2.571 -1.527 12.553 339 2HG LYS 44 HG1 LYS 44 -3.911 -2.666 12.687 340 1HD LYS 44 HD2 LYS 44 -3.816 -2.320 15.199 341 2HD LYS 44 HD1 LYS 44 -2.690 -0.996 14.896 342 1HE LYS 44 HE2 LYS 44 -4.337 0.237 13.646 343 2HE LYS 44 HE1 LYS 44 -5.438 -1.155 13.616 344 1HZ LYS 44 HZ1 LYS 44 -4.440 0.080 16.123 345 2HZ LYS 44 HZ2 LYS 44 -5.676 -1.073 15.958 346 3HZ LYS 44 HZ3 LYS 44 -5.913 0.515 15.404 347 H ARG 45 HN ARG 45 -0.128 -5.569 11.811 348 HA ARG 45 HA ARG 45 1.567 -6.268 14.089 349 1HB ARG 45 HB2 ARG 45 0.088 -7.776 12.644 350 2HB ARG 45 HB1 ARG 45 1.327 -7.630 11.396 351 1HG ARG 45 HG2 ARG 45 2.739 -9.033 12.477 352 2HG ARG 45 HG1 ARG 45 2.415 -8.289 14.043 353 1HD ARG 45 HD2 ARG 45 0.030 -9.640 13.256 354 2HD ARG 45 HD1 ARG 45 1.383 -10.766 13.029 355 HE ARG 45 HE ARG 45 0.820 -9.323 15.592 356 1HH1 ARG 45 HH21 ARG 45 0.904 -12.358 14.296 357 2HH1 ARG 45 HH22 ARG 45 2.042 -13.027 15.418 358 1HH2 ARG 45 HH11 ARG 45 2.867 -9.962 16.815 359 2HH2 ARG 45 HH12 ARG 45 3.154 -11.670 16.844 360 H GLY 46 HN GLY 46 2.050 -4.520 11.175 361 1HA GLY 46 HA2 GLY 46 4.123 -3.381 10.693 362 2HA GLY 46 HA1 GLY 46 4.982 -4.610 11.620 363 H LYS 47 HN LYS 47 2.635 -5.958 9.545 364 HA LYS 47 HA LYS 47 4.789 -6.859 7.707 365 1HB LYS 47 HB2 LYS 47 3.135 -8.328 9.120 366 2HB LYS 47 HB1 LYS 47 1.983 -7.935 7.844 367 1HG LYS 47 HG2 LYS 47 3.720 -8.729 6.175 368 2HG LYS 47 HG1 LYS 47 4.647 -9.340 7.546 369 1HD LYS 47 HD2 LYS 47 2.894 -10.850 8.173 370 2HD LYS 47 HD1 LYS 47 1.758 -10.094 7.055 371 1HE LYS 47 HE2 LYS 47 2.407 -11.913 5.761 372 2HE LYS 47 HE1 LYS 47 3.674 -10.764 5.286 373 1HZ LYS 47 HZ1 LYS 47 4.471 -12.996 6.123 374 2HZ LYS 47 HZ2 LYS 47 3.928 -12.519 7.660 375 3HZ LYS 47 HZ3 LYS 47 5.149 -11.636 6.875 376 H LYS 48 HN LYS 48 4.912 -5.518 5.924 377 HA LYS 48 HA LYS 48 2.571 -4.075 4.914 378 1HB LYS 48 HB2 LYS 48 5.250 -4.426 3.553 379 2HB LYS 48 HB1 LYS 48 4.154 -3.051 3.455 380 1HG LYS 48 HG2 LYS 48 4.646 -3.132 6.144 381 2HG LYS 48 HG1 LYS 48 6.186 -3.698 5.501 382 1HD LYS 48 HD2 LYS 48 4.912 -1.314 4.219 383 2HD LYS 48 HD1 LYS 48 5.703 -1.100 5.781 384 1HE LYS 48 HE2 LYS 48 7.103 -2.545 3.526 385 2HE LYS 48 HE1 LYS 48 7.174 -0.778 3.675 386 1HZ LYS 48 HZ1 LYS 48 7.676 -2.536 5.997 387 2HZ LYS 48 HZ2 LYS 48 8.120 -0.910 5.783 388 3HZ LYS 48 HZ3 LYS 48 8.928 -2.134 4.926 389 H VAL 49 HN VAL 49 1.172 -4.859 3.379 390 HA VAL 49 HA VAL 49 1.936 -7.372 1.942 391 HB VAL 49 HB VAL 49 -0.749 -6.070 2.504 392 1HG1 VAL 49 HG11 VAL 49 0.099 -8.295 0.799 393 2HG1 VAL 49 HG12 VAL 49 -1.449 -7.451 0.854 394 3HG1 VAL 49 HG13 VAL 49 -1.123 -8.770 1.979 395 1HG2 VAL 49 HG21 VAL 49 1.009 -7.604 4.159 396 2HG2 VAL 49 HG22 VAL 49 -0.386 -8.611 3.769 397 3HG2 VAL 49 HG23 VAL 49 -0.619 -7.039 4.533 398 H CYS 50 HN CYS 50 2.039 -7.353 -0.298 399 HA CYS 50 HA CYS 50 1.832 -4.762 -1.679 400 1HB CYS 50 HB2 CYS 50 2.611 -7.585 -2.465 401 2HB CYS 50 HB1 CYS 50 2.658 -6.226 -3.585 402 H THR 51 HN THR 51 0.484 -4.491 -3.608 403 HA THR 51 HA THR 51 -1.659 -6.444 -4.139 404 HB THR 51 HB THR 51 -3.332 -4.485 -3.653 405 HG1 THR 51 HG1 THR 51 -2.299 -2.797 -2.976 406 1HG2 THR 51 HG21 THR 51 -3.849 -5.574 -1.712 407 2HG2 THR 51 HG22 THR 51 -2.199 -5.478 -1.098 408 3HG2 THR 51 HG23 THR 51 -2.628 -6.710 -2.285 409 H HIS 52 HN HIS 52 -3.206 -5.395 -5.862 410 HA HIS 52 HA HIS 52 -1.488 -4.003 -7.841 411 1HB HIS 52 HB2 HIS 52 -3.641 -5.979 -7.817 412 2HB HIS 52 HB1 HIS 52 -3.913 -4.715 -9.016 413 HD1 HIS 52 HD1 HIS 52 -3.175 -7.608 -9.886 414 HD2 HIS 52 HD2 HIS 52 -0.397 -4.540 -9.384 415 HE1 HIS 52 HE1 HIS 52 -1.154 -8.237 -11.277 416 HA PRO 53 HA PRO 53 -3.817 -0.287 -7.052 417 1HB PRO 53 HB2 PRO 53 -2.912 1.181 -9.175 418 2HB PRO 53 HB1 PRO 53 -1.938 0.890 -7.721 419 1HG PRO 53 HG2 PRO 53 -1.804 -0.425 -10.382 420 2HG PRO 53 HG1 PRO 53 -0.498 0.015 -9.271 421 1HD PRO 53 HD2 PRO 53 -1.476 -2.527 -9.552 422 2HD PRO 53 HD1 PRO 53 -0.689 -1.921 -8.079 423 H ARG 54 HN ARG 54 -3.905 -2.120 -10.022 424 HA ARG 54 HA ARG 54 -5.942 -0.675 -11.428 425 1HB ARG 54 HB2 ARG 54 -4.318 -2.570 -12.139 426 2HB ARG 54 HB1 ARG 54 -5.536 -3.666 -11.484 427 1HG ARG 54 HG2 ARG 54 -7.222 -2.376 -12.947 428 2HG ARG 54 HG1 ARG 54 -5.810 -1.723 -13.778 429 1HD ARG 54 HD2 ARG 54 -5.038 -4.161 -14.065 430 2HD ARG 54 HD1 ARG 54 -6.689 -4.613 -13.595 431 HE ARG 54 HE ARG 54 -6.929 -2.580 -15.540 432 1HH1 ARG 54 HH11 ARG 54 -7.673 -5.685 -15.409 433 2HH1 ARG 54 HH12 ARG 54 -7.108 -6.151 -16.979 434 1HH2 ARG 54 HH21 ARG 54 -5.341 -3.214 -17.507 435 2HH2 ARG 54 HH22 ARG 54 -5.788 -4.752 -18.166 436 H LYS 55 HN LYS 55 -6.178 -3.555 -9.298 437 HA LYS 55 HA LYS 55 -8.939 -3.992 -9.369 438 1HB LYS 55 HB2 LYS 55 -6.670 -4.478 -7.570 439 2HB LYS 55 HB1 LYS 55 -8.221 -4.424 -6.729 440 1HG LYS 55 HG2 LYS 55 -8.142 -6.663 -7.366 441 2HG LYS 55 HG1 LYS 55 -9.015 -5.956 -8.726 442 1HD LYS 55 HD2 LYS 55 -6.023 -6.036 -8.836 443 2HD LYS 55 HD1 LYS 55 -6.916 -7.527 -9.139 444 1HE LYS 55 HE2 LYS 55 -7.741 -4.996 -10.553 445 2HE LYS 55 HE1 LYS 55 -6.385 -5.957 -11.172 446 1HZ LYS 55 HZ1 LYS 55 -8.366 -6.823 -12.138 447 2HZ LYS 55 HZ2 LYS 55 -9.151 -6.892 -10.632 448 3HZ LYS 55 HZ3 LYS 55 -7.855 -7.938 -10.967 449 H LYS 56 HN LYS 56 -10.637 -2.682 -8.880 450 HA LYS 56 HA LYS 56 -10.436 -0.050 -7.854 451 1HB LYS 56 HB2 LYS 56 -12.616 -2.108 -8.139 452 2HB LYS 56 HB1 LYS 56 -12.968 -0.541 -7.408 453 1HG LYS 56 HG2 LYS 56 -11.410 -0.090 -9.764 454 2HG LYS 56 HG1 LYS 56 -12.740 -1.171 -10.183 455 1HD LYS 56 HD2 LYS 56 -14.359 0.382 -9.228 456 2HD LYS 56 HD1 LYS 56 -13.060 1.438 -8.672 457 1HE LYS 56 HE2 LYS 56 -12.403 1.298 -11.291 458 2HE LYS 56 HE1 LYS 56 -14.162 1.092 -11.414 459 1HZ LYS 56 HZ1 LYS 56 -13.459 3.454 -11.347 460 2HZ LYS 56 HZ2 LYS 56 -12.834 3.195 -9.789 461 3HZ LYS 56 HZ3 LYS 56 -14.500 3.030 -10.078 462 H TRP 57 HN TRP 57 -11.169 -3.108 -6.145 463 HA TRP 57 HA TRP 57 -11.858 -2.057 -3.628 464 1HB TRP 57 HB2 TRP 57 -11.739 -4.272 -3.013 465 2HB TRP 57 HB1 TRP 57 -11.574 -4.509 -4.747 466 HD1 TRP 57 HD1 TRP 57 -9.408 -5.619 -5.584 467 HE1 TRP 57 HE1 TRP 57 -7.207 -6.372 -4.471 468 HE3 TRP 57 HE3 TRP 57 -10.022 -3.573 -0.947 469 HZ2 TRP 57 HZ2 TRP 57 -5.883 -6.130 -1.945 470 HZ3 TRP 57 HZ3 TRP 57 -8.278 -3.851 0.792 471 HH2 TRP 57 HH2 TRP 57 -6.211 -5.127 0.300 472 H VAL 58 HN VAL 58 -8.632 -2.542 -5.040 473 HA VAL 58 HA VAL 58 -7.123 -1.897 -2.666 474 HB VAL 58 HB VAL 58 -6.484 -1.657 -5.622 475 1HG1 VAL 58 HG11 VAL 58 -4.280 -1.313 -5.073 476 2HG1 VAL 58 HG12 VAL 58 -4.404 -2.226 -3.569 477 3HG1 VAL 58 HG13 VAL 58 -5.012 -0.574 -3.651 478 1HG2 VAL 58 HG21 VAL 58 -6.099 -3.909 -3.626 479 2HG2 VAL 58 HG22 VAL 58 -5.425 -3.898 -5.254 480 3HG2 VAL 58 HG23 VAL 58 -7.173 -3.921 -5.024 481 H GLN 59 HN GLN 59 -8.307 0.040 -5.418 482 HA GLN 59 HA GLN 59 -7.058 2.511 -4.712 483 1HB GLN 59 HB2 GLN 59 -9.703 1.916 -6.090 484 2HB GLN 59 HB1 GLN 59 -8.821 3.441 -6.191 485 1HG GLN 59 HG2 GLN 59 -6.911 1.519 -6.849 486 2HG GLN 59 HG1 GLN 59 -8.378 0.953 -7.649 487 1HE2 GLN 59 HE21 GLN 59 -8.341 1.708 -9.773 488 2HE2 GLN 59 HE22 GLN 59 -7.905 3.282 -10.237 489 H LYS 60 HN LYS 60 -9.925 0.851 -3.566 490 HA LYS 60 HA LYS 60 -11.040 3.116 -2.130 491 1HB LYS 60 HB2 LYS 60 -11.524 0.222 -2.536 492 2HB LYS 60 HB1 LYS 60 -12.091 0.861 -0.993 493 1HG LYS 60 HG2 LYS 60 -13.350 2.619 -2.164 494 2HG LYS 60 HG1 LYS 60 -12.765 2.016 -3.715 495 1HD LYS 60 HD2 LYS 60 -13.780 -0.274 -2.664 496 2HD LYS 60 HD1 LYS 60 -14.858 0.914 -1.929 497 1HE LYS 60 HE2 LYS 60 -14.802 1.858 -4.478 498 2HE LYS 60 HE1 LYS 60 -14.600 0.120 -4.777 499 1HZ LYS 60 HZ1 LYS 60 -16.904 0.428 -4.594 500 2HZ LYS 60 HZ2 LYS 60 -16.755 1.479 -3.268 501 3HZ LYS 60 HZ3 LYS 60 -16.440 -0.180 -3.081 502 H TYR 61 HN TYR 61 -8.782 0.490 -1.407 503 HA TYR 61 HA TYR 61 -8.773 0.953 1.471 504 1HB TYR 61 HB2 TYR 61 -7.446 -0.742 -0.556 505 2HB TYR 61 HB1 TYR 61 -6.472 -0.402 0.876 506 HD1 TYR 61 HD1 TYR 61 -10.005 -1.331 -0.010 507 HD2 TYR 61 HD2 TYR 61 -6.719 -1.803 2.716 508 HE1 TYR 61 HE1 TYR 61 -11.316 -2.993 1.282 509 HE2 TYR 61 HE2 TYR 61 -8.030 -3.465 4.008 510 HH TYR 61 HH TYR 61 -11.368 -3.909 3.577 511 H ILE 62 HN ILE 62 -6.747 1.970 -1.264 512 HA ILE 62 HA ILE 62 -4.662 3.208 0.273 513 HB ILE 62 HB ILE 62 -5.770 3.828 -2.488 514 1HG1 ILE 62 HG12 ILE 62 -3.345 2.156 -1.851 515 2HG1 ILE 62 HG11 ILE 62 -4.954 1.435 -1.867 516 1HG2 ILE 62 HG21 ILE 62 -3.046 4.305 -2.494 517 2HG2 ILE 62 HG22 ILE 62 -3.542 4.909 -0.912 518 3HG2 ILE 62 HG23 ILE 62 -4.294 5.546 -2.373 519 1HD1 ILE 62 HD11 ILE 62 -3.274 2.056 -4.100 520 2HD1 ILE 62 HD12 ILE 62 -4.721 3.059 -4.197 521 3HD1 ILE 62 HD13 ILE 62 -4.868 1.304 -4.109 522 H SER 63 HN SER 63 -7.523 4.646 -1.346 523 HA SER 63 HA SER 63 -7.159 7.297 -0.358 524 1HB SER 63 HB2 SER 63 -9.347 5.620 -1.500 525 2HB SER 63 HB1 SER 63 -9.817 7.127 -0.719 526 HG SER 63 HG SER 63 -8.237 6.678 -2.990 527 H LEU 64 HN LEU 64 -8.736 4.449 1.048 528 HA LEU 64 HA LEU 64 -9.929 5.904 3.273 529 1HB LEU 64 HB2 LEU 64 -9.555 3.089 2.350 530 2HB LEU 64 HB1 LEU 64 -9.933 3.337 4.055 531 HG LEU 64 HG LEU 64 -11.535 4.452 1.733 532 1HD1 LEU 64 HD11 LEU 64 -12.118 2.204 1.723 533 2HD1 LEU 64 HD12 LEU 64 -13.252 2.821 2.924 534 3HD1 LEU 64 HD13 LEU 64 -11.779 2.002 3.442 535 1HD2 LEU 64 HD21 LEU 64 -13.162 4.705 3.822 536 2HD2 LEU 64 HD22 LEU 64 -11.965 5.947 3.457 537 3HD2 LEU 64 HD23 LEU 64 -11.639 4.752 4.712 538 H LEU 65 HN LEU 65 -7.190 3.582 3.068 539 HA LEU 65 HA LEU 65 -6.285 3.808 5.728 540 1HB LEU 65 HB2 LEU 65 -5.118 3.140 3.059 541 2HB LEU 65 HB1 LEU 65 -3.994 3.382 4.396 542 HG LEU 65 HG LEU 65 -6.335 1.451 4.376 543 1HD1 LEU 65 HD11 LEU 65 -3.408 1.214 3.840 544 2HD1 LEU 65 HD12 LEU 65 -4.754 0.317 3.137 545 3HD1 LEU 65 HD13 LEU 65 -4.172 -0.088 4.752 546 1HD2 LEU 65 HD21 LEU 65 -6.155 1.470 6.623 547 2HD2 LEU 65 HD22 LEU 65 -4.861 2.664 6.529 548 3HD2 LEU 65 HD23 LEU 65 -4.479 0.943 6.471 549 H LYS 66 HN LYS 66 -5.486 5.820 2.908 550 HA LYS 66 HA LYS 66 -4.991 8.171 4.516 551 1HB LYS 66 HB2 LYS 66 -3.024 6.479 4.884 552 2HB LYS 66 HB1 LYS 66 -2.507 6.998 3.280 553 1HG LYS 66 HG2 LYS 66 -1.925 9.090 3.995 554 2HG LYS 66 HG1 LYS 66 -3.245 9.169 5.162 555 1HD LYS 66 HD2 LYS 66 -1.179 9.060 6.408 556 2HD LYS 66 HD1 LYS 66 -1.985 7.499 6.575 557 1HE LYS 66 HE2 LYS 66 -0.165 6.475 5.706 558 2HE LYS 66 HE1 LYS 66 -0.341 7.425 4.217 559 1HZ LYS 66 HZ1 LYS 66 0.895 8.434 6.723 560 2HZ LYS 66 HZ2 LYS 66 0.798 9.256 5.239 561 3HZ LYS 66 HZ3 LYS 66 1.773 7.872 5.386 562 H THR 67 HN THR 67 -4.938 9.986 3.165 563 HA THR 67 HA THR 67 -5.280 9.480 0.270 564 HB THR 67 HB THR 67 -5.567 11.992 1.948 565 HG1 THR 67 HG1 THR 67 -7.854 11.380 1.631 566 1HG2 THR 67 HG21 THR 67 -6.842 12.859 0.086 567 2HG2 THR 67 HG22 THR 67 -6.732 11.318 -0.765 568 3HG2 THR 67 HG23 THR 67 -5.287 12.302 -0.532 569 HA PRO 68 HA PRO 68 -1.137 10.854 -0.519 570 1HB PRO 68 HB2 PRO 68 -1.366 11.311 -3.205 571 2HB PRO 68 HB1 PRO 68 -1.266 9.680 -2.510 572 1HG PRO 68 HG2 PRO 68 -3.641 11.180 -3.483 573 2HG PRO 68 HG1 PRO 68 -3.262 9.456 -3.612 574 1HD PRO 68 HD2 PRO 68 -5.012 10.507 -1.787 575 2HD PRO 68 HD1 PRO 68 -4.130 8.982 -1.557 576 H LYS 69 HN LYS 69 -1.617 12.891 0.743 577 HA LYS 69 HA LYS 69 -2.136 15.226 -1.047 578 1HB LYS 69 HB2 LYS 69 -3.072 16.300 0.920 579 2HB LYS 69 HB1 LYS 69 -3.786 14.695 0.782 580 1HG LYS 69 HG2 LYS 69 -1.789 13.974 2.332 581 2HG LYS 69 HG1 LYS 69 -1.732 15.689 2.739 582 1HD LYS 69 HD2 LYS 69 -4.341 15.382 3.038 583 2HD LYS 69 HD1 LYS 69 -3.899 13.689 3.268 584 1HE LYS 69 HE2 LYS 69 -2.357 14.302 5.079 585 2HE LYS 69 HE1 LYS 69 -2.722 16.021 4.825 586 1HZ LYS 69 HZ1 LYS 69 -4.788 13.963 5.384 587 2HZ LYS 69 HZ2 LYS 69 -5.001 15.648 5.335 588 3HZ LYS 69 HZ3 LYS 69 -4.095 14.939 6.586 589 H GLN 70 HN GLN 70 0.456 14.361 -1.125 590 HA GLN 70 HA GLN 70 1.903 16.218 0.739 591 1HB GLN 70 HB2 GLN 70 2.256 13.765 1.080 592 2HB GLN 70 HB1 GLN 70 2.859 13.654 -0.574 593 1HG GLN 70 HG2 GLN 70 4.807 14.818 -0.090 594 2HG GLN 70 HG1 GLN 70 4.076 15.683 1.263 595 1HE2 GLN 70 HE21 GLN 70 6.394 14.669 2.047 596 2HE2 GLN 70 HE22 GLN 70 6.234 13.206 2.894 597 H LEU 71 HN LEU 71 2.845 17.910 -0.323 598 HA LEU 71 HA LEU 71 3.180 17.770 -3.275 599 1HB LEU 71 HB2 LEU 71 3.065 19.906 -1.153 600 2HB LEU 71 HB1 LEU 71 3.706 20.286 -2.752 601 HG LEU 71 HG LEU 71 1.411 18.900 -3.371 602 1HD1 LEU 71 HD11 LEU 71 0.290 18.788 -1.369 603 2HD1 LEU 71 HD12 LEU 71 -0.198 20.417 -1.835 604 3HD1 LEU 71 HD13 LEU 71 1.132 20.186 -0.700 605 1HD2 LEU 71 HD21 LEU 71 0.516 21.092 -3.997 606 2HD2 LEU 71 HD22 LEU 71 2.245 21.044 -4.343 607 3HD2 LEU 71 HD23 LEU 71 1.655 21.892 -2.913
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