NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1206 | 1ac0 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H CYS 509 1H CYS 509 -1.538 21.719 7.539 2 2H CYS 509 2H CYS 509 -0.976 22.417 6.100 3 3H CYS 509 3H CYS 509 -2.428 21.536 6.104 4 HA CYS 509 HA CYS 509 -1.276 19.761 5.489 5 1HB CYS 509 1HB CYS 509 1.223 21.261 6.332 6 2HB CYS 509 2HB CYS 509 1.170 19.812 5.330 7 H THR 510 H THR 510 0.925 18.449 6.669 8 HA THR 510 HA THR 510 0.277 18.341 9.567 9 HB THR 510 HB THR 510 0.515 15.739 8.110 10 HG1 THR 510 HG1 THR 510 -1.809 15.852 7.859 11 1HG2 THR 510 1HG2 THR 510 -0.922 16.788 10.553 12 2HG2 THR 510 2HG2 THR 510 -1.214 15.175 9.901 13 3HG2 THR 510 3HG2 THR 510 0.391 15.612 10.488 14 H THR 511 H THR 511 2.220 16.508 7.156 15 HA THR 511 HA THR 511 4.738 17.476 7.997 16 HB THR 511 HB THR 511 4.997 14.926 9.194 17 HG1 THR 511 HG1 THR 511 3.452 15.117 10.856 18 1HG2 THR 511 1HG2 THR 511 5.369 17.751 9.822 19 2HG2 THR 511 2HG2 THR 511 4.930 16.805 11.244 20 3HG2 THR 511 3HG2 THR 511 6.347 16.360 10.291 21 HA PRO 512 HA PRO 512 5.373 13.357 5.657 22 1HB PRO 512 1HB PRO 512 3.177 11.739 5.313 23 2HB PRO 512 2HB PRO 512 4.282 11.619 6.693 24 1HG PRO 512 1HG PRO 512 1.529 12.768 6.587 25 2HG PRO 512 2HG PRO 512 2.389 12.038 7.953 26 1HD PRO 512 1HD PRO 512 2.036 14.804 7.523 27 2HD PRO 512 2HD PRO 512 3.192 14.069 8.653 28 H THR 513 H THR 513 5.126 12.890 3.372 29 HA THR 513 HA THR 513 2.985 14.454 1.991 30 HB THR 513 HB THR 513 4.571 15.261 0.369 31 HG1 THR 513 HG1 THR 513 6.871 14.423 1.434 32 1HG2 THR 513 1HG2 THR 513 5.030 15.674 3.241 33 2HG2 THR 513 2HG2 THR 513 6.422 16.078 2.237 34 3HG2 THR 513 3HG2 THR 513 4.868 16.860 1.945 35 H ALA 514 H ALA 514 2.801 11.705 2.516 36 HA ALA 514 HA ALA 514 3.739 10.216 0.170 37 1HB ALA 514 1HB ALA 514 2.643 9.587 2.768 38 2HB ALA 514 2HB ALA 514 1.747 8.731 1.512 39 3HB ALA 514 3HB ALA 514 3.494 8.529 1.642 40 H VAL 515 H VAL 515 2.514 9.744 -1.648 41 HA VAL 515 HA VAL 515 -0.156 11.043 -1.775 42 HB VAL 515 HB VAL 515 1.536 10.000 -4.033 43 1HG1 VAL 515 1HG1 VAL 515 -1.035 10.135 -4.255 44 2HG1 VAL 515 2HG1 VAL 515 -0.832 11.880 -4.131 45 3HG1 VAL 515 3HG1 VAL 515 -0.082 11.000 -5.465 46 1HG2 VAL 515 1HG2 VAL 515 2.497 11.930 -2.720 47 2HG2 VAL 515 2HG2 VAL 515 2.140 12.312 -4.404 48 3HG2 VAL 515 3HG2 VAL 515 1.047 12.846 -3.125 49 H ALA 516 H ALA 516 -1.459 9.403 -0.814 50 HA ALA 516 HA ALA 516 -1.255 6.653 -1.773 51 1HB ALA 516 1HB ALA 516 -2.101 7.295 0.533 52 2HB ALA 516 2HB ALA 516 -3.553 7.915 -0.253 53 3HB ALA 516 3HB ALA 516 -3.159 6.198 -0.358 54 H VAL 517 H VAL 517 -1.865 6.288 -3.894 55 HA VAL 517 HA VAL 517 -4.284 7.798 -4.803 56 HB VAL 517 HB VAL 517 -2.724 6.487 -6.896 57 1HG1 VAL 517 1HG1 VAL 517 -4.523 8.116 -7.260 58 2HG1 VAL 517 2HG1 VAL 517 -3.577 9.345 -6.415 59 3HG1 VAL 517 3HG1 VAL 517 -2.993 8.682 -7.952 60 1HG2 VAL 517 1HG2 VAL 517 -0.894 7.177 -5.267 61 2HG2 VAL 517 2HG2 VAL 517 -0.790 7.842 -6.904 62 3HG2 VAL 517 3HG2 VAL 517 -1.386 8.846 -5.574 63 H THR 518 H THR 518 -6.006 6.542 -5.523 64 HA THR 518 HA THR 518 -5.680 3.606 -5.230 65 HB THR 518 HB THR 518 -8.350 4.039 -5.745 66 HG1 THR 518 HG1 THR 518 -8.784 5.871 -4.324 67 1HG2 THR 518 1HG2 THR 518 -6.708 3.871 -3.240 68 2HG2 THR 518 2HG2 THR 518 -8.450 4.121 -3.120 69 3HG2 THR 518 3HG2 THR 518 -7.819 2.684 -3.925 70 H PHE 519 H PHE 519 -5.415 2.433 -7.044 71 HA PHE 519 HA PHE 519 -6.325 3.637 -9.612 72 1HB PHE 519 1HB PHE 519 -4.377 1.379 -9.639 73 2HB PHE 519 2HB PHE 519 -4.523 2.736 -10.733 74 HD1 PHE 519 HD1 PHE 519 -3.712 2.134 -7.086 75 HD2 PHE 519 HD2 PHE 519 -2.877 4.322 -10.681 76 HE1 PHE 519 HE1 PHE 519 -1.885 3.340 -5.930 77 HE2 PHE 519 HE2 PHE 519 -1.056 5.535 -9.516 78 HZ PHE 519 HZ PHE 519 -0.567 5.036 -7.151 79 H ASP 520 H ASP 520 -7.426 2.285 -11.070 80 HA ASP 520 HA ASP 520 -8.197 -0.399 -10.059 81 1HB ASP 520 1HB ASP 520 -9.953 1.948 -10.646 82 2HB ASP 520 2HB ASP 520 -10.529 0.360 -11.133 83 H LEU 521 H LEU 521 -7.267 -1.616 -11.675 84 HA LEU 521 HA LEU 521 -7.729 -0.712 -14.485 85 1HB LEU 521 1HB LEU 521 -5.345 -0.855 -13.628 86 2HB LEU 521 2HB LEU 521 -5.580 -2.600 -13.526 87 HG LEU 521 HG LEU 521 -6.155 -1.071 -16.058 88 1HD1 LEU 521 1HD1 LEU 521 -3.600 -1.556 -14.797 89 2HD1 LEU 521 2HD1 LEU 521 -3.700 -2.456 -16.308 90 3HD1 LEU 521 3HD1 LEU 521 -3.940 -0.709 -16.303 91 1HD2 LEU 521 1HD2 LEU 521 -5.678 -3.962 -15.288 92 2HD2 LEU 521 2HD2 LEU 521 -7.121 -3.269 -16.030 93 3HD2 LEU 521 3HD2 LEU 521 -5.629 -3.416 -16.966 94 H THR 522 H THR 522 -9.102 -1.936 -15.640 95 HA THR 522 HA THR 522 -9.927 -4.526 -14.526 96 HB THR 522 HB THR 522 -10.888 -3.173 -17.058 97 HG1 THR 522 HG1 THR 522 -12.005 -3.120 -14.455 98 1HG2 THR 522 1HG2 THR 522 -11.303 -5.732 -16.326 99 2HG2 THR 522 2HG2 THR 522 -12.595 -4.960 -15.406 100 3HG2 THR 522 3HG2 THR 522 -12.527 -4.772 -17.158 101 H ALA 523 H ALA 523 -8.662 -6.213 -14.921 102 HA ALA 523 HA ALA 523 -7.935 -6.831 -17.729 103 1HB ALA 523 1HB ALA 523 -6.012 -5.684 -16.504 104 2HB ALA 523 2HB ALA 523 -5.935 -7.129 -15.504 105 3HB ALA 523 3HB ALA 523 -5.649 -7.243 -17.247 106 H THR 524 H THR 524 -6.238 -8.958 -16.216 107 HA THR 524 HA THR 524 -8.059 -10.677 -14.829 108 HB THR 524 HB THR 524 -9.382 -11.035 -16.673 109 HG1 THR 524 HG1 THR 524 -8.252 -12.839 -17.930 110 1HG2 THR 524 1HG2 THR 524 -7.275 -9.643 -17.839 111 2HG2 THR 524 2HG2 THR 524 -7.412 -11.128 -18.797 112 3HG2 THR 524 3HG2 THR 524 -8.809 -10.064 -18.612 113 H THR 525 H THR 525 -6.292 -11.436 -13.617 114 HA THR 525 HA THR 525 -3.837 -12.334 -14.992 115 HB THR 525 HB THR 525 -3.523 -11.370 -12.813 116 HG1 THR 525 HG1 THR 525 -2.459 -13.457 -13.340 117 1HG2 THR 525 1HG2 THR 525 -6.009 -12.719 -12.319 118 2HG2 THR 525 2HG2 THR 525 -4.837 -13.148 -11.070 119 3HG2 THR 525 3HG2 THR 525 -5.224 -11.458 -11.374 120 H THR 526 H THR 526 -3.012 -14.605 -14.256 121 HA THR 526 HA THR 526 -5.291 -16.493 -14.552 122 HB THR 526 HB THR 526 -3.954 -16.985 -16.383 123 HG1 THR 526 HG1 THR 526 -3.153 -18.910 -15.926 124 1HG2 THR 526 1HG2 THR 526 -1.617 -16.196 -14.636 125 2HG2 THR 526 2HG2 THR 526 -1.416 -16.912 -16.235 126 3HG2 THR 526 3HG2 THR 526 -2.227 -15.356 -16.061 127 H TYR 527 H TYR 527 -5.366 -15.906 -12.238 128 HA TYR 527 HA TYR 527 -5.081 -16.432 -9.984 129 1HB TYR 527 1HB TYR 527 -5.813 -18.570 -11.454 130 2HB TYR 527 2HB TYR 527 -4.316 -19.171 -10.760 131 HD1 TYR 527 HD1 TYR 527 -7.614 -17.774 -10.039 132 HD2 TYR 527 HD2 TYR 527 -4.160 -19.668 -8.356 133 HE1 TYR 527 HE1 TYR 527 -8.861 -18.118 -7.942 134 HE2 TYR 527 HE2 TYR 527 -5.398 -20.022 -6.230 135 HH TYR 527 HH TYR 527 -8.691 -18.747 -5.787 136 H GLY 528 H GLY 528 -2.684 -15.208 -10.810 137 1HA GLY 528 1HA GLY 528 -0.828 -15.920 -8.919 138 2HA GLY 528 2HA GLY 528 -0.465 -17.038 -10.223 139 H GLU 529 H GLU 529 -1.322 -13.517 -10.374 140 HA GLU 529 HA GLU 529 1.444 -12.864 -11.056 141 1HB GLU 529 1HB GLU 529 1.304 -12.493 -13.319 142 2HB GLU 529 2HB GLU 529 0.175 -13.837 -13.182 143 1HG GLU 529 1HG GLU 529 -1.610 -11.971 -12.807 144 2HG GLU 529 2HG GLU 529 -0.404 -10.909 -13.527 145 H ASN 530 H ASN 530 1.366 -10.357 -12.009 146 HA ASN 530 HA ASN 530 -0.796 -8.915 -10.526 147 1HB ASN 530 1HB ASN 530 1.509 -9.329 -9.238 148 2HB ASN 530 2HB ASN 530 1.972 -7.897 -10.160 149 1HD2 ASN 530 1HD2 ASN 530 -0.754 -5.948 -8.597 150 2HD2 ASN 530 2HD2 ASN 530 -0.214 -6.281 -10.169 151 H ILE 531 H ILE 531 -1.439 -7.068 -11.461 152 HA ILE 531 HA ILE 531 -0.163 -6.294 -14.021 153 HB ILE 531 HB ILE 531 -2.708 -6.699 -13.637 154 1HG1 ILE 531 1HG1 ILE 531 -2.438 -4.024 -14.849 155 2HG1 ILE 531 2HG1 ILE 531 -1.425 -5.295 -15.537 156 1HG2 ILE 531 1HG2 ILE 531 -2.856 -5.338 -11.594 157 2HG2 ILE 531 2HG2 ILE 531 -2.461 -3.902 -12.533 158 3HG2 ILE 531 3HG2 ILE 531 -3.960 -4.766 -12.845 159 1HD1 ILE 531 1HD1 ILE 531 -4.335 -5.831 -14.959 160 2HD1 ILE 531 2HD1 ILE 531 -3.859 -4.948 -16.436 161 3HD1 ILE 531 3HD1 ILE 531 -3.247 -6.586 -16.148 162 H TYR 532 H TYR 532 0.591 -4.832 -13.541 163 HA TYR 532 HA TYR 532 1.425 -3.674 -11.695 164 1HB TYR 532 2HB TYR 532 3.367 -4.401 -13.444 165 2HB TYR 532 1HB TYR 532 3.661 -2.674 -13.319 166 HD1 TYR 532 HD1 TYR 532 3.538 -5.848 -11.560 167 HD2 TYR 532 HD2 TYR 532 4.337 -1.660 -11.144 168 HE1 TYR 532 HE1 TYR 532 4.588 -6.295 -9.376 169 HE2 TYR 532 HE2 TYR 532 5.397 -2.088 -8.937 170 HH TYR 532 HH TYR 532 5.418 -5.348 -7.510 171 H LEU 533 H LEU 533 2.256 -1.272 -11.292 172 HA LEU 533 HA LEU 533 1.404 0.549 -13.421 173 1HB LEU 533 1HB LEU 533 -0.047 0.214 -11.106 174 2HB LEU 533 2HB LEU 533 0.978 1.597 -10.726 175 HG LEU 533 HG LEU 533 -0.159 1.742 -13.416 176 1HD1 LEU 533 1HD1 LEU 533 -1.934 1.397 -11.014 177 2HD1 LEU 533 2HD1 LEU 533 -2.428 2.478 -12.319 178 3HD1 LEU 533 3HD1 LEU 533 -2.142 0.768 -12.649 179 1HD2 LEU 533 1HD2 LEU 533 1.006 3.514 -11.894 180 2HD2 LEU 533 2HD2 LEU 533 -0.388 4.014 -12.854 181 3HD2 LEU 533 3HD2 LEU 533 -0.580 3.665 -11.135 182 H VAL 534 H VAL 534 3.774 0.372 -13.733 183 HA VAL 534 HA VAL 534 5.556 1.534 -11.741 184 HB VAL 534 HB VAL 534 6.039 -0.288 -13.514 185 1HG1 VAL 534 1HG1 VAL 534 5.283 1.078 -15.455 186 2HG1 VAL 534 2HG1 VAL 534 6.677 2.132 -15.173 187 3HG1 VAL 534 3HG1 VAL 534 6.928 0.441 -15.590 188 1HG2 VAL 534 1HG2 VAL 534 7.780 1.701 -12.434 189 2HG2 VAL 534 2HG2 VAL 534 8.106 0.010 -12.786 190 3HG2 VAL 534 3HG2 VAL 534 8.304 1.225 -14.062 191 H GLY 535 H GLY 535 5.569 3.673 -11.373 192 1HA GLY 535 1HA GLY 535 4.974 5.579 -13.605 193 2HA GLY 535 2HA GLY 535 4.792 5.964 -11.898 194 H SER 536 H SER 536 6.408 7.546 -13.716 195 HA SER 536 HA SER 536 9.212 6.723 -13.480 196 1HB SER 536 1HB SER 536 8.560 8.097 -15.364 197 2HB SER 536 2HB SER 536 8.015 9.385 -14.299 198 HG SER 536 HG SER 536 10.006 10.035 -14.524 199 H ILE 537 H ILE 537 8.441 6.707 -10.857 200 HA ILE 537 HA ILE 537 10.101 8.847 -9.892 201 HB ILE 537 HB ILE 537 8.016 9.813 -9.364 202 1HG1 ILE 537 1HG1 ILE 537 7.879 9.546 -6.848 203 2HG1 ILE 537 2HG1 ILE 537 9.112 8.294 -6.986 204 1HG2 ILE 537 1HG2 ILE 537 6.842 7.573 -9.777 205 2HG2 ILE 537 2HG2 ILE 537 7.121 7.268 -8.062 206 3HG2 ILE 537 3HG2 ILE 537 6.151 8.653 -8.567 207 1HD1 ILE 537 1HD1 ILE 537 10.283 10.260 -8.437 208 2HD1 ILE 537 2HD1 ILE 537 9.356 11.235 -7.297 209 3HD1 ILE 537 3HD1 ILE 537 10.534 10.065 -6.703 210 H SER 538 H SER 538 10.970 8.323 -7.688 211 HA SER 538 HA SER 538 12.076 5.708 -7.815 212 1HB SER 538 1HB SER 538 11.914 7.734 -5.584 213 2HB SER 538 2HB SER 538 12.646 6.156 -5.311 214 HG SER 538 HG SER 538 13.766 8.259 -6.383 215 H GLN 539 H GLN 539 9.361 6.847 -5.818 216 HA GLN 539 HA GLN 539 8.928 4.235 -4.624 217 1HB GLN 539 1HB GLN 539 8.026 6.692 -3.947 218 2HB GLN 539 2HB GLN 539 6.659 6.160 -4.925 219 1HG GLN 539 1HG GLN 539 7.830 4.703 -2.537 220 2HG GLN 539 2HG GLN 539 6.275 5.534 -2.595 221 1HE2 GLN 539 1HE2 GLN 539 4.837 2.999 -4.806 222 2HE2 GLN 539 2HE2 GLN 539 4.896 4.689 -4.661 223 H LEU 540 H LEU 540 8.435 5.766 -7.560 224 HA LEU 540 HA LEU 540 6.820 3.525 -8.579 225 1HB LEU 540 1HB LEU 540 6.014 6.229 -8.404 226 2HB LEU 540 2HB LEU 540 6.319 5.886 -10.104 227 HG LEU 540 HG LEU 540 4.904 3.737 -9.644 228 1HD1 LEU 540 1HD1 LEU 540 4.747 5.188 -7.128 229 2HD1 LEU 540 2HD1 LEU 540 3.145 4.943 -7.821 230 3HD1 LEU 540 3HD1 LEU 540 4.191 3.557 -7.508 231 1HD2 LEU 540 1HD2 LEU 540 4.314 6.437 -10.436 232 2HD2 LEU 540 2HD2 LEU 540 3.539 4.946 -10.977 233 3HD2 LEU 540 3HD2 LEU 540 2.925 5.792 -9.553 234 H GLY 541 H GLY 541 9.387 3.172 -8.788 235 1HA GLY 541 1HA GLY 541 11.151 4.383 -10.411 236 2HA GLY 541 2HA GLY 541 10.890 2.652 -10.598 237 H ASP 542 H ASP 542 8.275 2.810 -11.609 238 HA ASP 542 HA ASP 542 7.074 3.047 -13.654 239 1HB ASP 542 1HB ASP 542 7.869 5.525 -13.315 240 2HB ASP 542 2HB ASP 542 8.949 5.132 -14.623 241 H TRP 543 H TRP 543 10.422 2.764 -13.572 242 HA TRP 543 HA TRP 543 10.415 1.542 -16.260 243 1HB TRP 543 1HB TRP 543 12.676 3.162 -15.114 244 2HB TRP 543 2HB TRP 543 12.316 2.796 -16.807 245 HD1 TRP 543 HD1 TRP 543 12.059 5.676 -14.651 246 HE1 TRP 543 HE1 TRP 543 10.214 7.279 -15.349 247 HE3 TRP 543 HE3 TRP 543 9.314 2.595 -17.645 248 HZ2 TRP 543 HZ2 TRP 543 7.839 7.282 -16.921 249 HZ3 TRP 543 HZ3 TRP 543 7.261 3.437 -18.742 250 HH2 TRP 543 HH2 TRP 543 6.515 5.777 -18.378 251 H GLU 544 H GLU 544 10.087 0.585 -13.615 252 HA GLU 544 HA GLU 544 11.685 -1.769 -13.624 253 1HB GLU 544 1HB GLU 544 13.207 0.048 -12.494 254 2HB GLU 544 2HB GLU 544 12.069 -0.070 -11.159 255 1HG GLU 544 1HG GLU 544 12.503 -2.448 -10.932 256 2HG GLU 544 2HG GLU 544 13.528 -2.431 -12.366 257 H THR 545 H THR 545 9.440 -2.368 -13.769 258 HA THR 545 HA THR 545 7.364 -1.528 -12.188 259 HB THR 545 HB THR 545 6.211 -3.480 -12.781 260 HG1 THR 545 HG1 THR 545 8.680 -4.770 -12.338 261 1HG2 THR 545 1HG2 THR 545 7.565 -2.474 -14.751 262 2HG2 THR 545 2HG2 THR 545 8.543 -3.935 -14.623 263 3HG2 THR 545 3HG2 THR 545 6.821 -4.054 -14.980 264 H SER 546 H SER 546 10.226 -3.072 -11.082 265 HA SER 546 HA SER 546 9.370 -4.599 -8.875 266 1HB SER 546 1HB SER 546 11.786 -4.010 -9.816 267 2HB SER 546 2HB SER 546 11.734 -2.793 -8.543 268 HG SER 546 HG SER 546 12.534 -4.624 -7.615 269 H ASP 547 H ASP 547 9.750 -1.090 -9.159 270 HA ASP 547 HA ASP 547 8.446 -0.833 -6.485 271 1HB ASP 547 1HB ASP 547 10.572 0.822 -7.840 272 2HB ASP 547 2HB ASP 547 9.552 1.519 -6.581 273 H GLY 548 H GLY 548 7.008 -1.169 -8.957 274 1HA GLY 548 1HA GLY 548 6.058 1.525 -9.688 275 2HA GLY 548 2HA GLY 548 5.559 -0.003 -10.434 276 H ILE 549 H ILE 549 3.531 -0.455 -10.030 277 HA ILE 549 HA ILE 549 2.551 -0.426 -7.285 278 HB ILE 549 HB ILE 549 0.675 0.924 -9.169 279 1HG1 ILE 549 1HG1 ILE 549 2.657 2.646 -7.727 280 2HG1 ILE 549 2HG1 ILE 549 3.101 1.982 -9.295 281 1HG2 ILE 549 1HG2 ILE 549 1.377 1.138 -6.241 282 2HG2 ILE 549 2HG2 ILE 549 0.283 2.275 -7.034 283 3HG2 ILE 549 3HG2 ILE 549 -0.126 0.555 -6.956 284 1HD1 ILE 549 1HD1 ILE 549 0.456 2.922 -9.579 285 2HD1 ILE 549 2HD1 ILE 549 1.323 4.180 -8.702 286 3HD1 ILE 549 3HD1 ILE 549 1.914 3.631 -10.270 287 H ALA 550 H ALA 550 2.205 -2.577 -7.358 288 HA ALA 550 HA ALA 550 0.925 -3.853 -9.634 289 1HB ALA 550 1HB ALA 550 2.530 -4.695 -7.521 290 2HB ALA 550 2HB ALA 550 0.959 -5.423 -7.181 291 3HB ALA 550 3HB ALA 550 1.761 -5.732 -8.722 292 H LEU 551 H LEU 551 -1.159 -4.251 -9.914 293 HA LEU 551 HA LEU 551 -3.122 -3.614 -7.742 294 1HB LEU 551 1HB LEU 551 -3.568 -3.931 -10.738 295 2HB LEU 551 2HB LEU 551 -4.740 -3.341 -9.572 296 HG LEU 551 HG LEU 551 -2.985 -1.500 -9.059 297 1HD1 LEU 551 1HD1 LEU 551 -1.999 -2.557 -11.714 298 2HD1 LEU 551 2HD1 LEU 551 -1.582 -0.968 -11.082 299 3HD1 LEU 551 3HD1 LEU 551 -1.080 -2.418 -10.220 300 1HD2 LEU 551 1HD2 LEU 551 -5.183 -1.301 -10.366 301 2HD2 LEU 551 2HD2 LEU 551 -3.959 -0.082 -10.720 302 3HD2 LEU 551 3HD2 LEU 551 -4.204 -1.433 -11.826 303 H SER 552 H SER 552 -4.515 -5.338 -7.074 304 HA SER 552 HA SER 552 -4.300 -7.840 -8.672 305 1HB SER 552 1HB SER 552 -2.593 -7.576 -6.650 306 2HB SER 552 2HB SER 552 -3.991 -8.119 -5.728 307 HG SER 552 HG SER 552 -3.030 -9.961 -6.349 308 H ALA 553 H ALA 553 -5.622 -9.659 -7.347 309 HA ALA 553 HA ALA 553 -8.355 -8.592 -7.093 310 1HB ALA 553 1HB ALA 553 -7.163 -11.241 -7.650 311 2HB ALA 553 2HB ALA 553 -8.494 -11.325 -6.509 312 3HB ALA 553 3HB ALA 553 -8.760 -10.636 -8.116 313 H ASP 554 H ASP 554 -7.128 -7.476 -5.035 314 HA ASP 554 HA ASP 554 -6.704 -9.043 -2.697 315 1HB ASP 554 1HB ASP 554 -6.523 -7.032 -1.541 316 2HB ASP 554 2HB ASP 554 -6.204 -6.508 -3.193 317 H LYS 555 H LYS 555 -9.622 -7.054 -3.457 318 HA LYS 555 HA LYS 555 -11.209 -8.423 -1.446 319 1HB LYS 555 1HB LYS 555 -12.318 -7.050 -3.911 320 2HB LYS 555 2HB LYS 555 -13.059 -7.190 -2.316 321 1HG LYS 555 1HG LYS 555 -11.520 -5.626 -1.359 322 2HG LYS 555 2HG LYS 555 -10.486 -5.669 -2.786 323 1HD LYS 555 1HD LYS 555 -12.630 -4.849 -4.045 324 2HD LYS 555 2HD LYS 555 -13.164 -4.354 -2.438 325 1HE LYS 555 1HE LYS 555 -10.554 -3.450 -2.509 326 2HE LYS 555 2HE LYS 555 -11.102 -3.174 -4.163 327 1HZ LYS 555 1HZ LYS 555 -12.668 -2.350 -1.786 328 2HZ LYS 555 2HZ LYS 555 -11.548 -1.330 -2.547 329 3HZ LYS 555 3HZ LYS 555 -12.906 -1.886 -3.403 330 H TYR 556 H TYR 556 -10.624 -8.574 -4.885 331 HA TYR 556 HA TYR 556 -12.323 -10.636 -5.708 332 1HB TYR 556 1HB TYR 556 -9.566 -9.735 -6.455 333 2HB TYR 556 2HB TYR 556 -10.238 -11.180 -7.213 334 HD1 TYR 556 HD1 TYR 556 -12.906 -9.312 -6.301 335 HD2 TYR 556 HD2 TYR 556 -9.733 -9.217 -9.300 336 HE1 TYR 556 HE1 TYR 556 -14.313 -7.924 -7.768 337 HE2 TYR 556 HE2 TYR 556 -11.202 -7.893 -10.724 338 HH TYR 556 HH TYR 556 -14.356 -6.676 -9.630 339 H THR 557 H THR 557 -11.838 -12.959 -5.915 340 HA THR 557 HA THR 557 -10.211 -13.863 -3.593 341 HB THR 557 HB THR 557 -12.726 -14.845 -4.809 342 HG1 THR 557 HG1 THR 557 -13.137 -14.117 -2.881 343 1HG2 THR 557 1HG2 THR 557 -11.104 -16.705 -5.139 344 2HG2 THR 557 2HG2 THR 557 -10.779 -16.690 -3.402 345 3HG2 THR 557 3HG2 THR 557 -12.387 -17.113 -3.995 346 H SER 558 H SER 558 -10.309 -14.001 -6.954 347 HA SER 558 HA SER 558 -8.836 -16.476 -7.266 348 1HB SER 558 1HB SER 558 -10.264 -15.552 -9.076 349 2HB SER 558 2HB SER 558 -9.201 -14.153 -9.186 350 HG SER 558 HG SER 558 -8.542 -15.623 -10.713 351 H SER 559 H SER 559 -7.245 -14.326 -9.200 352 HA SER 559 HA SER 559 -5.065 -14.053 -7.160 353 1HB SER 559 1HB SER 559 -5.042 -14.765 -10.034 354 2HB SER 559 2HB SER 559 -3.770 -13.669 -9.511 355 HG SER 559 HG SER 559 -3.057 -15.163 -8.089 356 H ASP 560 H ASP 560 -6.326 -12.430 -10.091 357 HA ASP 560 HA ASP 560 -6.688 -9.892 -8.871 358 1HB ASP 560 1HB ASP 560 -4.596 -8.859 -10.113 359 2HB ASP 560 2HB ASP 560 -4.464 -9.503 -8.481 360 HA PRO 561 HA PRO 561 -7.644 -10.468 -13.411 361 1HB PRO 561 1HB PRO 561 -10.377 -10.881 -13.219 362 2HB PRO 561 2HB PRO 561 -9.146 -12.142 -13.399 363 1HG PRO 561 1HG PRO 561 -10.695 -11.401 -10.994 364 2HG PRO 561 2HG PRO 561 -9.855 -12.907 -11.357 365 1HD PRO 561 1HD PRO 561 -8.955 -10.854 -9.611 366 2HD PRO 561 2HD PRO 561 -8.039 -12.259 -10.167 367 H LEU 562 H LEU 562 -9.531 -8.509 -10.992 368 HA LEU 562 HA LEU 562 -9.708 -6.495 -13.214 369 1HB LEU 562 1HB LEU 562 -11.560 -5.517 -12.298 370 2HB LEU 562 2HB LEU 562 -11.802 -7.138 -11.678 371 HG LEU 562 HG LEU 562 -12.052 -6.011 -9.705 372 1HD1 LEU 562 1HD1 LEU 562 -9.493 -7.086 -9.902 373 2HD1 LEU 562 2HD1 LEU 562 -9.188 -5.459 -9.279 374 3HD1 LEU 562 3HD1 LEU 562 -10.268 -6.552 -8.413 375 1HD2 LEU 562 1HD2 LEU 562 -10.998 -3.860 -11.280 376 2HD2 LEU 562 2HD2 LEU 562 -11.959 -3.767 -9.804 377 3HD2 LEU 562 3HD2 LEU 562 -10.198 -3.841 -9.707 378 H TRP 563 H TRP 563 -7.656 -7.441 -11.086 379 HA TRP 563 HA TRP 563 -6.211 -6.386 -9.487 380 1HB TRP 563 1HB TRP 563 -5.431 -4.767 -11.850 381 2HB TRP 563 2HB TRP 563 -4.439 -5.765 -10.793 382 HD1 TRP 563 HD1 TRP 563 -7.446 -6.647 -13.092 383 HE1 TRP 563 HE1 TRP 563 -6.769 -8.632 -14.591 384 HE3 TRP 563 HE3 TRP 563 -2.715 -7.318 -11.441 385 HZ2 TRP 563 HZ2 TRP 563 -4.436 -10.253 -15.026 386 HZ3 TRP 563 HZ3 TRP 563 -1.283 -9.088 -12.414 387 HH2 TRP 563 HH2 TRP 563 -2.139 -10.535 -14.190 388 H TYR 564 H TYR 564 -7.354 -4.996 -8.044 389 HA TYR 564 HA TYR 564 -7.824 -2.176 -8.926 390 1HB TYR 564 1HB TYR 564 -9.002 -1.885 -6.869 391 2HB TYR 564 2HB TYR 564 -9.374 -3.567 -7.287 392 HD1 TYR 564 HD1 TYR 564 -6.478 -4.440 -6.965 393 HD2 TYR 564 HD2 TYR 564 -9.125 -2.323 -4.373 394 HE1 TYR 564 HE1 TYR 564 -5.200 -5.241 -5.116 395 HE2 TYR 564 HE2 TYR 564 -7.812 -3.126 -2.411 396 HH TYR 564 HH TYR 564 -4.740 -4.491 -2.710 397 H VAL 565 H VAL 565 -7.055 -0.903 -6.435 398 HA VAL 565 HA VAL 565 -4.630 -1.796 -5.356 399 HB VAL 565 HB VAL 565 -3.508 -1.750 -7.405 400 1HG1 VAL 565 1HG1 VAL 565 -4.845 0.923 -7.885 401 2HG1 VAL 565 2HG1 VAL 565 -3.668 0.173 -8.960 402 3HG1 VAL 565 3HG1 VAL 565 -5.234 -0.596 -8.693 403 1HG2 VAL 565 1HG2 VAL 565 -3.045 0.895 -5.995 404 2HG2 VAL 565 2HG2 VAL 565 -2.173 -0.615 -5.736 405 3HG2 VAL 565 3HG2 VAL 565 -1.988 0.261 -7.256 406 H THR 566 H THR 566 -3.550 -0.312 -4.051 407 HA THR 566 HA THR 566 -4.416 2.484 -3.886 408 HB THR 566 HB THR 566 -5.045 0.557 -1.622 409 HG1 THR 566 HG1 THR 566 -7.006 0.611 -2.356 410 1HG2 THR 566 1HG2 THR 566 -4.192 3.027 -1.201 411 2HG2 THR 566 2HG2 THR 566 -5.835 3.449 -1.684 412 3HG2 THR 566 3HG2 THR 566 -5.569 2.394 -0.296 413 H VAL 567 H VAL 567 -2.125 2.758 -4.215 414 HA VAL 567 HA VAL 567 -0.460 1.941 -1.861 415 HB VAL 567 HB VAL 567 0.723 2.675 -4.525 416 1HG1 VAL 567 1HG1 VAL 567 1.610 1.593 -2.002 417 2HG1 VAL 567 2HG1 VAL 567 1.923 0.422 -3.283 418 3HG1 VAL 567 3HG1 VAL 567 2.580 2.054 -3.402 419 1HG2 VAL 567 1HG2 VAL 567 -0.732 0.142 -3.782 420 2HG2 VAL 567 2HG2 VAL 567 -0.818 1.064 -5.283 421 3HG2 VAL 567 3HG2 VAL 567 0.613 0.098 -4.922 422 H THR 568 H THR 568 1.726 3.634 -2.280 423 HA THR 568 HA THR 568 0.504 6.349 -2.275 424 HB THR 568 HB THR 568 2.038 6.892 -0.334 425 HG1 THR 568 HG1 THR 568 2.954 5.215 0.737 426 1HG2 THR 568 1HG2 THR 568 -0.418 6.404 -0.121 427 2HG2 THR 568 2HG2 THR 568 -0.003 4.723 0.212 428 3HG2 THR 568 3HG2 THR 568 0.515 5.995 1.318 429 H LEU 569 H LEU 569 2.095 8.084 -2.539 430 HA LEU 569 HA LEU 569 4.703 7.292 -3.713 431 1HB LEU 569 1HB LEU 569 3.141 7.470 -5.623 432 2HB LEU 569 2HB LEU 569 2.673 9.087 -5.095 433 HG LEU 569 HG LEU 569 5.291 9.513 -5.202 434 1HD1 LEU 569 1HD1 LEU 569 5.398 6.939 -5.937 435 2HD1 LEU 569 2HD1 LEU 569 5.119 7.637 -7.534 436 3HD1 LEU 569 3HD1 LEU 569 6.524 8.127 -6.589 437 1HD2 LEU 569 1HD2 LEU 569 3.138 9.599 -7.254 438 2HD2 LEU 569 2HD2 LEU 569 4.103 10.915 -6.585 439 3HD2 LEU 569 3HD2 LEU 569 4.784 9.861 -7.832 440 HA PRO 570 HA PRO 570 4.999 10.774 -0.792 441 1HB PRO 570 1HB PRO 570 7.387 9.912 0.259 442 2HB PRO 570 2HB PRO 570 5.803 9.351 0.820 443 1HG PRO 570 1HG PRO 570 7.806 7.929 -0.876 444 2HG PRO 570 2HG PRO 570 6.585 7.259 0.218 445 1HD PRO 570 1HD PRO 570 6.381 7.384 -2.601 446 2HD PRO 570 2HD PRO 570 5.045 7.062 -1.472 447 H ALA 571 H ALA 571 5.447 12.427 -2.294 448 HA ALA 571 HA ALA 571 8.265 13.091 -2.607 449 1HB ALA 571 1HB ALA 571 6.673 12.039 -4.916 450 2HB ALA 571 2HB ALA 571 7.867 13.305 -5.203 451 3HB ALA 571 3HB ALA 571 8.366 11.763 -4.508 452 H GLY 572 H GLY 572 5.278 13.864 -4.437 453 1HA GLY 572 1HA GLY 572 3.996 15.889 -4.247 454 2HA GLY 572 2HA GLY 572 5.272 16.573 -3.236 455 H GLU 573 H GLU 573 5.206 15.152 -6.515 456 HA GLU 573 HA GLU 573 5.937 17.684 -7.757 457 1HB GLU 573 1HB GLU 573 8.057 16.457 -6.650 458 2HB GLU 573 2HB GLU 573 8.012 15.588 -8.184 459 1HG GLU 573 1HG GLU 573 7.945 17.802 -9.368 460 2HG GLU 573 2HG GLU 573 8.171 18.592 -7.807 461 H SER 574 H SER 574 7.370 16.070 -9.899 462 HA SER 574 HA SER 574 4.901 14.944 -11.166 463 1HB SER 574 1HB SER 574 6.213 15.276 -13.307 464 2HB SER 574 2HB SER 574 5.802 16.765 -12.461 465 HG SER 574 HG SER 574 7.959 16.861 -12.975 466 H PHE 575 H PHE 575 4.783 12.873 -11.347 467 HA PHE 575 HA PHE 575 7.275 11.212 -11.552 468 1HB PHE 575 1HB PHE 575 4.737 10.226 -10.261 469 2HB PHE 575 2HB PHE 575 6.393 9.671 -10.033 470 HD1 PHE 575 HD1 PHE 575 8.033 11.138 -8.798 471 HD2 PHE 575 HD2 PHE 575 3.833 11.988 -8.933 472 HE1 PHE 575 HE1 PHE 575 8.290 12.679 -6.880 473 HE2 PHE 575 HE2 PHE 575 4.089 13.537 -7.012 474 HZ PHE 575 HZ PHE 575 6.316 13.878 -5.986 475 H GLU 576 H GLU 576 7.080 9.664 -13.276 476 HA GLU 576 HA GLU 576 4.791 10.117 -15.056 477 1HB GLU 576 1HB GLU 576 6.964 8.024 -15.244 478 2HB GLU 576 2HB GLU 576 5.742 8.319 -16.470 479 1HG GLU 576 1HG GLU 576 7.316 10.672 -15.536 480 2HG GLU 576 2HG GLU 576 8.140 9.507 -16.574 481 H TYR 577 H TYR 577 3.536 8.107 -15.848 482 HA TYR 577 HA TYR 577 3.159 6.200 -13.633 483 1HB TYR 577 1HB TYR 577 1.216 8.274 -14.504 484 2HB TYR 577 2HB TYR 577 0.567 6.677 -14.123 485 HD1 TYR 577 HD1 TYR 577 2.786 9.407 -12.730 486 HD2 TYR 577 HD2 TYR 577 0.298 5.979 -11.901 487 HE1 TYR 577 HE1 TYR 577 2.983 9.831 -10.301 488 HE2 TYR 577 HE2 TYR 577 0.507 6.426 -9.473 489 HH TYR 577 HH TYR 577 1.224 7.859 -7.925 490 H LYS 578 H LYS 578 4.353 5.230 -15.646 491 HA LYS 578 HA LYS 578 2.595 4.410 -17.838 492 1HB LYS 578 1HB LYS 578 5.208 4.728 -17.834 493 2HB LYS 578 2HB LYS 578 5.218 3.081 -17.205 494 1HG LYS 578 1HG LYS 578 4.664 2.203 -19.213 495 2HG LYS 578 2HG LYS 578 3.400 3.404 -19.476 496 1HD LYS 578 1HD LYS 578 6.135 4.487 -19.636 497 2HD LYS 578 2HD LYS 578 5.757 3.298 -20.884 498 1HE LYS 578 1HE LYS 578 4.060 4.597 -21.795 499 2HE LYS 578 2HE LYS 578 3.758 5.445 -20.279 500 1HZ LYS 578 1HZ LYS 578 6.411 5.851 -21.286 501 2HZ LYS 578 2HZ LYS 578 5.213 6.397 -22.360 502 3HZ LYS 578 3HZ LYS 578 5.265 6.990 -20.768 503 H PHE 579 H PHE 579 1.796 2.243 -18.125 504 HA PHE 579 HA PHE 579 1.815 0.692 -15.551 505 1HB PHE 579 1HB PHE 579 -0.416 1.621 -16.307 506 2HB PHE 579 2HB PHE 579 -0.291 0.575 -17.728 507 HD1 PHE 579 HD1 PHE 579 0.373 -1.909 -17.241 508 HD2 PHE 579 HD2 PHE 579 -1.381 0.749 -14.362 509 HE1 PHE 579 HE1 PHE 579 -0.303 -3.845 -15.873 510 HE2 PHE 579 HE2 PHE 579 -2.053 -1.200 -12.984 511 HZ PHE 579 HZ PHE 579 -1.484 -3.484 -13.755 512 H ILE 580 H ILE 580 2.137 -1.364 -15.552 513 HA ILE 580 HA ILE 580 2.797 -2.736 -18.056 514 HB ILE 580 HB ILE 580 4.963 -3.391 -17.217 515 1HG1 ILE 580 1HG1 ILE 580 3.529 -3.030 -14.769 516 2HG1 ILE 580 2HG1 ILE 580 5.066 -3.890 -15.024 517 1HG2 ILE 580 1HG2 ILE 580 4.342 -0.506 -16.541 518 2HG2 ILE 580 2HG2 ILE 580 5.973 -1.167 -16.391 519 3HG2 ILE 580 3HG2 ILE 580 5.173 -1.121 -17.966 520 1HD1 ILE 580 1HD1 ILE 580 6.230 -1.672 -14.838 521 2HD1 ILE 580 2HD1 ILE 580 4.679 -0.934 -14.461 522 3HD1 ILE 580 3HD1 ILE 580 5.377 -2.120 -13.351 523 H ARG 581 H ARG 581 1.492 -4.519 -18.054 524 HA ARG 581 HA ARG 581 0.386 -5.444 -15.529 525 1HB ARG 581 1HB ARG 581 -1.090 -5.637 -17.367 526 2HB ARG 581 2HB ARG 581 0.142 -6.385 -18.383 527 1HG ARG 581 1HG ARG 581 0.152 -8.353 -16.836 528 2HG ARG 581 2HG ARG 581 -1.184 -7.617 -15.950 529 1HD ARG 581 1HD ARG 581 -2.695 -8.244 -17.510 530 2HD ARG 581 2HD ARG 581 -1.665 -7.699 -18.835 531 HE ARG 581 HE ARG 581 -0.808 -10.210 -17.577 532 1HH1 ARG 581 1HH1 ARG 581 -3.659 -9.883 -19.039 533 2HH1 ARG 581 2HH1 ARG 581 -3.271 -10.698 -20.516 534 1HH2 ARG 581 1HH2 ARG 581 0.143 -10.730 -19.911 535 2HH2 ARG 581 2HH2 ARG 581 -1.117 -11.178 -21.010 536 H ILE 582 H ILE 582 1.656 -6.627 -14.150 537 HA ILE 582 HA ILE 582 3.861 -8.228 -15.265 538 HB ILE 582 HB ILE 582 3.253 -7.158 -12.694 539 1HG1 ILE 582 1HG1 ILE 582 5.433 -7.161 -13.816 540 2HG1 ILE 582 2HG1 ILE 582 5.573 -7.961 -12.247 541 1HG2 ILE 582 1HG2 ILE 582 2.977 -10.114 -12.829 542 2HG2 ILE 582 2HG2 ILE 582 4.102 -9.522 -11.610 543 3HG2 ILE 582 3HG2 ILE 582 2.425 -8.988 -11.591 544 1HD1 ILE 582 1HD1 ILE 582 4.816 -10.037 -13.872 545 2HD1 ILE 582 2HD1 ILE 582 5.850 -9.086 -14.955 546 3HD1 ILE 582 3HD1 ILE 582 6.488 -9.679 -13.418 547 H GLU 583 H GLU 583 3.904 -10.500 -15.471 548 HA GLU 583 HA GLU 583 1.242 -11.819 -15.134 549 1HB GLU 583 1HB GLU 583 2.281 -11.314 -17.517 550 2HB GLU 583 2HB GLU 583 3.192 -12.787 -17.183 551 1HG GLU 583 1HG GLU 583 1.271 -14.116 -17.093 552 2HG GLU 583 2HG GLU 583 0.222 -12.746 -16.728 553 H SER 584 H SER 584 1.474 -14.289 -15.205 554 HA SER 584 HA SER 584 3.403 -15.047 -13.105 555 1HB SER 584 1HB SER 584 0.849 -15.603 -13.186 556 2HB SER 584 2HB SER 584 1.337 -16.884 -14.291 557 HG SER 584 HG SER 584 1.818 -17.937 -12.542 558 H ASP 585 H ASP 585 2.903 -15.659 -16.550 559 HA ASP 585 HA ASP 585 4.805 -17.908 -16.442 560 1HB ASP 585 1HB ASP 585 4.086 -17.547 -19.054 561 2HB ASP 585 2HB ASP 585 3.287 -18.650 -17.946 562 H ASP 586 H ASP 586 4.391 -15.401 -18.922 563 HA ASP 586 HA ASP 586 7.200 -15.362 -19.534 564 1HB ASP 586 1HB ASP 586 5.623 -14.645 -21.219 565 2HB ASP 586 2HB ASP 586 4.986 -13.387 -20.160 566 H SER 587 H SER 587 5.667 -12.313 -18.766 567 HA SER 587 HA SER 587 6.892 -11.947 -16.195 568 1HB SER 587 1HB SER 587 8.586 -10.284 -16.816 569 2HB SER 587 2HB SER 587 8.959 -11.847 -17.542 570 HG SER 587 HG SER 587 8.065 -11.096 -19.479 571 H VAL 588 H VAL 588 7.340 -8.987 -17.414 572 HA VAL 588 HA VAL 588 4.610 -8.194 -16.664 573 HB VAL 588 HB VAL 588 6.401 -6.148 -17.800 574 1HG1 VAL 588 1HG1 VAL 588 4.161 -6.226 -16.192 575 2HG1 VAL 588 2HG1 VAL 588 5.456 -5.850 -15.057 576 3HG1 VAL 588 3HG1 VAL 588 5.192 -4.816 -16.463 577 1HG2 VAL 588 1HG2 VAL 588 7.566 -8.020 -16.029 578 2HG2 VAL 588 2HG2 VAL 588 8.218 -6.475 -16.583 579 3HG2 VAL 588 3HG2 VAL 588 7.264 -6.550 -15.101 580 H GLU 589 H GLU 589 4.027 -6.133 -18.105 581 HA GLU 589 HA GLU 589 4.380 -6.526 -20.972 582 1HB GLU 589 1HB GLU 589 2.484 -7.962 -20.838 583 2HB GLU 589 2HB GLU 589 1.721 -6.964 -19.591 584 1HG GLU 589 1HG GLU 589 0.823 -5.574 -21.115 585 2HG GLU 589 2HG GLU 589 2.368 -5.422 -21.960 586 H TRP 590 H TRP 590 5.423 -4.514 -20.217 587 HA TRP 590 HA TRP 590 4.202 -2.400 -18.942 588 1HB TRP 590 1HB TRP 590 6.291 -2.432 -21.084 589 2HB TRP 590 2HB TRP 590 5.793 -0.946 -20.262 590 HD1 TRP 590 HD1 TRP 590 6.321 -4.515 -18.915 591 HE1 TRP 590 HE1 TRP 590 7.897 -4.385 -16.879 592 HE3 TRP 590 HE3 TRP 590 7.272 0.492 -18.851 593 HZ2 TRP 590 HZ2 TRP 590 9.396 -2.421 -15.446 594 HZ3 TRP 590 HZ3 TRP 590 8.742 1.445 -17.103 595 HH2 TRP 590 HH2 TRP 590 9.793 0.013 -15.422 596 H GLU 591 H GLU 591 1.977 -2.277 -19.592 597 HA GLU 591 HA GLU 591 1.183 -1.650 -22.279 598 1HB GLU 591 1HB GLU 591 -0.416 -2.363 -20.471 599 2HB GLU 591 2HB GLU 591 -0.147 -0.813 -19.676 600 1HG GLU 591 1HG GLU 591 -1.681 0.148 -21.008 601 2HG GLU 591 2HG GLU 591 -0.743 -0.312 -22.429 602 H SER 592 H SER 592 2.779 -0.158 -22.919 603 HA SER 592 HA SER 592 3.048 2.344 -21.400 604 1HB SER 592 1HB SER 592 5.039 1.091 -22.244 605 2HB SER 592 2HB SER 592 4.481 1.383 -23.894 606 HG SER 592 HG SER 592 5.523 3.201 -23.707 607 H ASP 593 H ASP 593 0.643 1.485 -23.096 608 HA ASP 593 HA ASP 593 0.631 3.607 -25.154 609 1HB ASP 593 1HB ASP 593 -0.914 1.167 -24.630 610 2HB ASP 593 2HB ASP 593 -1.927 2.543 -25.071 611 HA PRO 594 HA PRO 594 -2.738 5.303 -22.276 612 1HB PRO 594 1HB PRO 594 -3.642 3.742 -20.204 613 2HB PRO 594 2HB PRO 594 -4.342 3.695 -21.832 614 1HG PRO 594 1HG PRO 594 -2.540 1.719 -20.504 615 2HG PRO 594 2HG PRO 594 -3.752 1.459 -21.769 616 1HD PRO 594 1HD PRO 594 -0.965 1.607 -22.174 617 2HD PRO 594 2HD PRO 594 -2.212 1.720 -23.434 618 H ASN 595 H ASN 595 -0.501 6.253 -21.713 619 HA ASN 595 HA ASN 595 0.408 5.542 -18.970 620 1HB ASN 595 1HB ASN 595 2.453 6.672 -19.502 621 2HB ASN 595 2HB ASN 595 2.036 5.701 -20.915 622 1HD2 ASN 595 1HD2 ASN 595 2.858 9.184 -22.056 623 2HD2 ASN 595 2HD2 ASN 595 3.706 7.993 -21.193 624 H ARG 596 H ARG 596 1.113 7.480 -17.600 625 HA ARG 596 HA ARG 596 -0.473 9.932 -18.091 626 1HB ARG 596 1HB ARG 596 -1.298 7.862 -16.278 627 2HB ARG 596 2HB ARG 596 -0.851 9.292 -15.346 628 1HG ARG 596 1HG ARG 596 -2.277 10.646 -16.960 629 2HG ARG 596 2HG ARG 596 -2.876 9.111 -17.587 630 1HD ARG 596 1HD ARG 596 -3.313 8.596 -15.030 631 2HD ARG 596 2HD ARG 596 -3.308 10.355 -14.894 632 HE ARG 596 HE ARG 596 -5.240 8.775 -16.525 633 1HH1 ARG 596 1HH1 ARG 596 -4.672 11.543 -17.577 634 2HH1 ARG 596 2HH1 ARG 596 -5.893 12.479 -16.783 635 1HH2 ARG 596 2HH2 ARG 596 -6.594 10.045 -14.414 636 2HH2 ARG 596 1HH2 ARG 596 -6.981 11.632 -14.992 637 H GLU 597 H GLU 597 -0.098 11.158 -15.643 638 HA GLU 597 HA GLU 597 2.685 10.899 -14.761 639 1HB GLU 597 1HB GLU 597 3.135 13.356 -15.399 640 2HB GLU 597 2HB GLU 597 3.204 12.171 -16.705 641 1HG GLU 597 1HG GLU 597 1.082 12.798 -17.542 642 2HG GLU 597 2HG GLU 597 0.648 13.636 -16.052 643 H TYR 598 H TYR 598 1.601 10.679 -12.715 644 HA TYR 598 HA TYR 598 -0.266 12.582 -11.710 645 1HB TYR 598 1HB TYR 598 0.438 10.141 -10.944 646 2HB TYR 598 2HB TYR 598 1.535 11.040 -9.894 647 HD1 TYR 598 HD1 TYR 598 0.461 13.078 -8.632 648 HD2 TYR 598 HD2 TYR 598 -1.731 9.769 -10.257 649 HE1 TYR 598 HE1 TYR 598 -1.403 13.587 -7.094 650 HE2 TYR 598 HE2 TYR 598 -3.627 10.284 -8.731 651 HH TYR 598 HH TYR 598 -3.349 12.188 -6.057 652 H THR 599 H THR 599 0.471 14.710 -11.765 653 HA THR 599 HA THR 599 3.151 15.345 -10.716 654 HB THR 599 HB THR 599 1.592 17.703 -11.039 655 HG1 THR 599 HG1 THR 599 0.254 17.189 -12.547 656 1HG2 THR 599 1HG2 THR 599 4.025 17.364 -11.497 657 2HG2 THR 599 2HG2 THR 599 3.589 16.443 -12.937 658 3HG2 THR 599 3HG2 THR 599 3.178 18.155 -12.826 659 H VAL 600 H VAL 600 2.360 14.241 -8.617 660 HA VAL 600 HA VAL 600 0.343 15.411 -7.011 661 HB VAL 600 HB VAL 600 2.754 14.426 -5.581 662 1HG1 VAL 600 1HG1 VAL 600 -0.140 14.550 -5.336 663 2HG1 VAL 600 2HG1 VAL 600 0.523 12.976 -4.907 664 3HG1 VAL 600 3HG1 VAL 600 1.091 14.423 -4.074 665 1HG2 VAL 600 1HG2 VAL 600 2.327 12.980 -7.780 666 2HG2 VAL 600 2HG2 VAL 600 2.653 12.209 -6.229 667 3HG2 VAL 600 3HG2 VAL 600 0.996 12.343 -6.805 668 HA PRO 601 HA PRO 601 2.358 19.258 -6.123 669 1HB PRO 601 1HB PRO 601 0.337 20.229 -4.532 670 2HB PRO 601 2HB PRO 601 0.273 20.228 -6.302 671 1HG PRO 601 1HG PRO 601 -1.159 18.463 -4.372 672 2HG PRO 601 2HG PRO 601 -1.620 18.934 -6.017 673 1HD PRO 601 1HD PRO 601 -0.481 16.454 -5.259 674 2HD PRO 601 2HD PRO 601 -0.643 17.066 -6.919 675 H GLN 602 H GLN 602 3.096 20.402 -4.114 676 HA GLN 602 HA GLN 602 3.750 18.445 -2.001 677 1HB GLN 602 1HB GLN 602 5.435 20.076 -3.039 678 2HB GLN 602 2HB GLN 602 4.613 21.341 -2.124 679 1HG GLN 602 1HG GLN 602 4.944 19.551 -0.146 680 2HG GLN 602 2HG GLN 602 6.323 19.105 -1.150 681 1HE2 GLN 602 1HE2 GLN 602 7.514 22.666 -0.914 682 2HE2 GLN 602 2HE2 GLN 602 6.980 21.691 -2.196 683 H ALA 603 H ALA 603 1.455 20.905 -2.588 684 HA ALA 603 HA ALA 603 1.062 21.969 0.019 685 1HB ALA 603 1HB ALA 603 -0.085 22.459 -2.360 686 2HB ALA 603 2HB ALA 603 -1.335 21.425 -1.668 687 3HB ALA 603 3HB ALA 603 -0.858 22.907 -0.839 688 H CYS 604 H CYS 604 -1.413 21.394 0.945 689 HA CYS 604 HA CYS 604 -1.431 18.432 1.347 690 1HB CYS 604 1HB CYS 604 -2.234 19.087 3.744 691 2HB CYS 604 2HB CYS 604 -0.510 19.175 3.378 692 H GLY 605 H GLY 605 -3.649 18.000 2.710 693 1HA GLY 605 1HA GLY 605 -6.012 18.482 2.873 694 2HA GLY 605 2HA GLY 605 -5.831 19.665 1.578 695 H THR 606 H THR 606 -4.114 17.484 0.176 696 HA THR 606 HA THR 606 -6.112 15.449 -0.499 697 HB THR 606 HB THR 606 -5.573 16.404 -3.040 698 HG1 THR 606 HG1 THR 606 -6.461 18.657 -1.680 699 1HG2 THR 606 1HG2 THR 606 -7.766 15.795 -1.495 700 2HG2 THR 606 2HG2 THR 606 -8.005 17.513 -1.817 701 3HG2 THR 606 3HG2 THR 606 -7.835 16.380 -3.158 702 H SER 607 H SER 607 -3.892 14.629 0.496 703 HA SER 607 HA SER 607 -1.776 14.387 -1.555 704 1HB SER 607 1HB SER 607 -1.700 12.938 1.069 705 2HB SER 607 2HB SER 607 -0.379 13.663 0.157 706 HG SER 607 HG SER 607 -0.803 15.549 1.036 707 H THR 608 H THR 608 -4.472 13.107 -1.853 708 HA THR 608 HA THR 608 -3.515 10.463 -2.701 709 HB THR 608 HB THR 608 -4.793 9.123 -1.245 710 HG1 THR 608 HG1 THR 608 -6.525 9.973 -0.052 711 1HG2 THR 608 1HG2 THR 608 -3.986 11.537 0.395 712 2HG2 THR 608 2HG2 THR 608 -4.449 9.979 1.077 713 3HG2 THR 608 3HG2 THR 608 -3.005 10.106 0.074 714 H ALA 609 H ALA 609 -4.515 10.112 -4.608 715 HA ALA 609 HA ALA 609 -7.325 11.122 -4.893 716 1HB ALA 609 1HB ALA 609 -5.422 12.587 -5.975 717 2HB ALA 609 2HB ALA 609 -5.463 11.345 -7.228 718 3HB ALA 609 3HB ALA 609 -6.914 12.277 -6.861 719 H THR 610 H THR 610 -7.203 10.349 -7.794 720 HA THR 610 HA THR 610 -7.258 7.376 -7.409 721 HB THR 610 HB THR 610 -9.058 7.392 -9.171 722 HG1 THR 610 HG1 THR 610 -9.856 9.280 -9.848 723 1HG2 THR 610 1HG2 THR 610 -9.215 8.030 -6.419 724 2HG2 THR 610 2HG2 THR 610 -10.376 9.073 -7.240 725 3HG2 THR 610 3HG2 THR 610 -10.476 7.323 -7.430 726 H VAL 611 H VAL 611 -7.156 6.230 -9.533 727 HA VAL 611 HA VAL 611 -5.571 7.502 -11.649 728 HB VAL 611 HB VAL 611 -4.299 5.149 -10.347 729 1HG1 VAL 611 1HG1 VAL 611 -3.564 7.297 -12.146 730 2HG1 VAL 611 2HG1 VAL 611 -2.464 7.248 -10.754 731 3HG1 VAL 611 3HG1 VAL 611 -2.668 5.820 -11.785 732 1HG2 VAL 611 1HG2 VAL 611 -4.921 6.675 -8.464 733 2HG2 VAL 611 2HG2 VAL 611 -3.182 6.400 -8.646 734 3HG2 VAL 611 3HG2 VAL 611 -3.909 7.905 -9.235 735 H THR 612 H THR 612 -7.641 6.652 -12.644 736 HA THR 612 HA THR 612 -8.040 3.758 -12.637 737 HB THR 612 HB THR 612 -9.739 4.643 -14.538 738 HG1 THR 612 HG1 THR 612 -10.498 6.663 -13.400 739 1HG2 THR 612 1HG2 THR 612 -9.959 4.555 -11.545 740 2HG2 THR 612 2HG2 THR 612 -11.352 4.854 -12.588 741 3HG2 THR 612 3HG2 THR 612 -10.450 3.343 -12.731 742 H ASP 613 H ASP 613 -7.903 2.350 -14.266 743 HA ASP 613 HA ASP 613 -7.262 3.126 -16.945 744 1HB ASP 613 1HB ASP 613 -5.106 2.103 -15.130 745 2HB ASP 613 2HB ASP 613 -5.097 1.584 -16.816 746 H THR 614 H THR 614 -6.767 0.903 -18.224 747 HA THR 614 HA THR 614 -7.806 -1.474 -16.906 748 HB THR 614 HB THR 614 -9.985 -1.014 -17.258 749 HG1 THR 614 HG1 THR 614 -10.681 -1.737 -19.211 750 1HG2 THR 614 1HG2 THR 614 -9.050 1.021 -19.294 751 2HG2 THR 614 2HG2 THR 614 -10.743 0.756 -18.878 752 3HG2 THR 614 3HG2 THR 614 -9.615 1.336 -17.653 753 H TRP 615 H TRP 615 -7.508 -3.338 -18.129 754 HA TRP 615 HA TRP 615 -5.486 -3.044 -20.194 755 1HB TRP 615 1HB TRP 615 -6.400 -5.142 -18.408 756 2HB TRP 615 2HB TRP 615 -6.150 -5.747 -20.054 757 HD1 TRP 615 HD1 TRP 615 -3.814 -6.880 -19.543 758 HE1 TRP 615 HE1 TRP 615 -1.460 -5.876 -19.174 759 HE3 TRP 615 HE3 TRP 615 -5.112 -2.114 -18.580 760 HZ2 TRP 615 HZ2 TRP 615 -0.312 -3.319 -18.504 761 HZ3 TRP 615 HZ3 TRP 615 -3.428 -0.406 -18.063 762 HH2 TRP 615 HH2 TRP 615 -1.046 -0.987 -18.018 763 H ARG 616 H ARG 616 -5.587 -3.702 -22.311 764 HA ARG 616 HA ARG 616 -8.158 -4.652 -23.417 765 1HB ARG 616 1HB ARG 616 -7.757 -1.928 -23.281 766 2HB ARG 616 2HB ARG 616 -7.154 -2.312 -24.893 767 1HG ARG 616 1HG ARG 616 -9.266 -3.499 -25.395 768 2HG ARG 616 2HG ARG 616 -9.873 -3.081 -23.792 769 1HD ARG 616 1HD ARG 616 -10.682 -1.194 -24.736 770 2HD ARG 616 2HD ARG 616 -9.008 -0.644 -24.817 771 HE ARG 616 HE ARG 616 -9.213 -2.102 -27.111 772 1HH1 ARG 616 1HH1 ARG 616 -10.502 0.768 -25.829 773 2HH1 ARG 616 2HH1 ARG 616 -11.447 1.154 -27.227 774 1HH2 ARG 616 1HH2 ARG 616 -10.748 -1.830 -28.850 775 2HH2 ARG 616 2HH2 ARG 616 -11.587 -0.318 -28.938 776 H1 GLC 1 H1 GLC 1 11.596 -0.692 -21.595 777 H2 GLC 1 H2 GLC 1 11.965 0.274 -19.514 778 H3 GLC 1 H3 GLC 1 11.016 -1.222 -17.590 779 H4 GLC 1 H4 GLC 1 9.889 -3.274 -18.868 780 H5 GLC 1 H5 GLC 1 12.788 -3.606 -19.755 781 1H6 GLC 1 1H6 GLC 1 10.264 -5.038 -19.807 782 2H6 GLC 1 2H6 GLC 1 11.918 -5.621 -20.141 783 HO2 GLC 1 HO2 GLC 1 13.460 -0.185 -18.204 784 HO3 GLC 1 HO3 GLC 1 9.409 -1.505 -19.860 785 HO6 GLC 1 H6 GLC 1 10.944 -5.772 -22.108 786 H1 GLC 2 H1 GLC 2 12.295 -2.010 -16.869 787 H2 GLC 2 H2 GLC 2 12.878 -4.774 -15.643 788 H3 GLC 2 H3 GLC 2 13.641 -2.026 -14.559 789 H4 GLC 2 H4 GLC 2 15.959 -3.521 -15.280 790 H5 GLC 2 H5 GLC 2 15.709 -3.476 -17.783 791 1H6 GLC 2 1H6 GLC 2 13.702 -5.439 -17.502 792 2H6 GLC 2 2H6 GLC 2 14.535 -5.408 -15.930 793 HO2 GLC 2 HO2 GLC 2 11.483 -4.207 -14.113 794 HO3 GLC 2 HO3 GLC 2 14.920 -4.445 -13.905 795 HO6 GLC 2 H6 GLC 2 15.728 -5.759 -18.501 796 H1 GLC 3 H1 GLC 3 16.419 -1.823 -14.186 797 H2 GLC 3 H2 GLC 3 14.709 0.022 -14.117 798 H3 GLC 3 H3 GLC 3 16.217 1.751 -13.021 799 H4 GLC 3 H4 GLC 3 18.519 -0.028 -13.020 800 H5 GLC 3 H5 GLC 3 17.821 1.148 -15.776 801 1H6 GLC 3 1H6 GLC 3 20.091 -0.705 -15.088 802 2H6 GLC 3 2H6 GLC 3 20.342 1.022 -14.877 803 HO2 GLC 3 HO2 GLC 3 15.125 0.933 -16.184 804 HO3 GLC 3 HO3 GLC 3 17.044 -0.753 -12.096 805 HO6 GLC 3 H6 GLC 3 20.340 1.262 -17.029 806 H1 GLC 4 H1 GLC 4 19.579 2.522 -14.989 807 H2 GLC 4 H2 GLC 4 20.272 4.010 -13.059 808 H3 GLC 4 H3 GLC 4 19.815 6.215 -14.258 809 H4 GLC 4 H4 GLC 4 19.082 5.721 -16.712 810 H5 GLC 4 H5 GLC 4 16.958 4.135 -16.647 811 1H6 GLC 4 1H6 GLC 4 18.598 2.112 -16.970 812 2H6 GLC 4 2H6 GLC 4 18.430 3.413 -18.153 813 HO2 GLC 4 HO2 GLC 4 18.699 5.543 -12.352 814 HO3 GLC 4 HO3 GLC 4 21.117 3.950 -15.162 815 HO6 GLC 4 H6 GLC 4 20.515 3.651 -17.877 816 H1 GLC 5 H1 GLC 5 16.851 5.264 -13.850 817 H2 GLC 5 H2 GLC 5 16.070 7.964 -14.694 818 H3 GLC 5 H3 GLC 5 13.778 6.011 -14.403 819 H4 GLC 5 H4 GLC 5 14.621 7.699 -16.803 820 H5 GLC 5 H5 GLC 5 14.361 4.956 -17.036 821 1H6 GLC 5 1H6 GLC 5 17.153 5.417 -17.702 822 2H6 GLC 5 2H6 GLC 5 15.962 6.363 -18.568 823 HO2 GLC 5 HO2 GLC 5 14.746 7.597 -12.634 824 HO3 GLC 5 HO3 GLC 5 12.644 7.813 -14.029 825 HO6 GLC 5 H6 GLC 5 17.731 7.503 -17.383 826 H1 GLC 6 H1 GLC 6 12.577 7.545 -18.572 827 H2 GLC 6 H2 GLC 6 10.770 5.990 -18.571 828 H3 GLC 6 H3 GLC 6 12.509 6.074 -20.237 829 H4 GLC 6 H4 GLC 6 13.507 5.259 -21.616 830 H5 GLC 6 H5 GLC 6 13.968 4.203 -18.803 831 1H6 GLC 6 1H6 GLC 6 15.787 3.910 -20.638 832 2H6 GLC 6 2H6 GLC 6 16.251 4.452 -19.042 833 HO2 GLC 6 HO2 GLC 6 11.173 3.696 -18.468 834 HO3 GLC 6 HO3 GLC 6 11.115 5.980 -21.937 835 HO6 GLC 6 H6 GLC 6 15.884 6.027 -21.412 836 H1 GLC 7 H1 GLC 7 14.745 3.697 -22.154 837 H2 GLC 7 H2 GLC 7 14.374 1.876 -23.738 838 H3 GLC 7 H3 GLC 7 12.146 0.925 -21.910 839 H4 GLC 7 H4 GLC 7 14.906 -0.258 -22.481 840 H5 GLC 7 H5 GLC 7 13.703 0.981 -19.960 841 1H6 GLC 7 1H6 GLC 7 15.283 -0.933 -19.536 842 2H6 GLC 7 2H6 GLC 7 15.864 0.642 -18.944 843 HO2 GLC 7 HO2 GLC 7 12.514 2.649 -24.545 844 HO3 GLC 7 HO3 GLC 7 12.164 -0.838 -23.429 845 HO6 GLC 7 H6 GLC 7 16.774 -0.925 -21.110 846 H1 GLC 1 H1 GLC 1 -14.094 -9.242 -10.470 847 H2 GLC 1 H2 GLC 1 -12.439 -10.080 -9.053 848 H3 GLC 1 H3 GLC 1 -11.416 -12.502 -9.981 849 H4 GLC 1 H4 GLC 1 -13.428 -13.705 -8.655 850 H5 GLC 1 H5 GLC 1 -15.479 -12.391 -8.230 851 1H6 GLC 1 1H6 GLC 1 -14.298 -10.312 -7.188 852 2H6 GLC 1 2H6 GLC 1 -12.787 -11.311 -7.249 853 HO2 GLC 1 HO2 GLC 1 -10.916 -9.889 -10.808 854 HO3 GLC 1 HO3 GLC 1 -10.893 -12.729 -8.262 855 HO6 GLC 1 H6 GLC 1 -15.299 -12.280 -6.138 856 H1 GLC 2 H1 GLC 2 -16.227 -13.128 -10.535 857 H2 GLC 2 H2 GLC 2 -15.299 -14.013 -8.246 858 H3 GLC 2 H3 GLC 2 -16.875 -15.939 -8.140 859 H4 GLC 2 H4 GLC 2 -18.527 -15.592 -10.224 860 H5 GLC 2 H5 GLC 2 -16.790 -16.338 -12.138 861 1H6 GLC 2 1H6 GLC 2 -17.783 -14.869 -13.462 862 2H6 GLC 2 2H6 GLC 2 -17.366 -13.480 -12.451 863 HO2 GLC 2 HO2 GLC 2 -13.941 -15.589 -8.411 864 HO3 GLC 2 HO3 GLC 2 -18.141 -14.317 -7.687 865 HO6 GLC 2 H6 GLC 2 -19.171 -13.956 -11.148 866 H1 GLC 3 H1 GLC 3 -16.791 -17.821 -11.939 867 H2 GLC 3 H2 GLC 3 -16.889 -20.024 -11.310 868 H3 GLC 3 H3 GLC 3 -14.583 -19.415 -9.452 869 H4 GLC 3 H4 GLC 3 -14.616 -19.836 -12.481 870 H5 GLC 3 H5 GLC 3 -13.252 -17.443 -11.435 871 1H6 GLC 3 1H6 GLC 3 -13.923 -17.892 -13.809 872 2H6 GLC 3 2H6 GLC 3 -15.618 -17.732 -13.306 873 HO2 GLC 3 HO2 GLC 3 -16.997 -18.878 -8.715 874 HO3 GLC 3 HO3 GLC 3 -15.584 -21.610 -9.667 875 HO6 GLC 3 H6 GLC 3 -13.775 -15.709 -12.592 876 H1 GLC 4 H1 GLC 4 -12.967 -19.815 -9.423 877 H2 GLC 4 H2 GLC 4 -10.711 -18.640 -9.162 878 H3 GLC 4 H3 GLC 4 -10.721 -17.990 -12.068 879 H4 GLC 4 H4 GLC 4 -9.060 -20.129 -12.207 880 H5 GLC 4 H5 GLC 4 -9.988 -20.336 -10.130 881 1H6 GLC 4 1H6 GLC 4 -8.184 -21.015 -10.292 882 2H6 GLC 4 2H6 GLC 4 -9.232 -20.925 -8.861 883 HO2 GLC 4 HO2 GLC 4 -11.335 -16.678 -9.925 884 HO3 GLC 4 HO3 GLC 4 -8.460 -18.161 -11.712 885 HO6 GLC 4 H6 GLC 4 -8.669 -23.258 -10.410 886 H1 GLC 5 H1 GLC 5 -11.809 -18.479 -13.076 887 H2 GLC 5 H2 GLC 5 -13.107 -19.944 -14.551 888 H3 GLC 5 H3 GLC 5 -11.742 -18.712 -16.844 889 H4 GLC 5 H4 GLC 5 -12.410 -16.918 -14.474 890 H5 GLC 5 H5 GLC 5 -9.765 -17.424 -15.855 891 1H6 GLC 5 1H6 GLC 5 -9.410 -16.494 -13.123 892 2H6 GLC 5 2H6 GLC 5 -8.702 -15.931 -14.624 893 HO2 GLC 5 HO2 GLC 5 -12.316 -21.437 -15.614 894 HO3 GLC 5 HO3 GLC 5 -14.202 -18.661 -15.498 895 HO6 GLC 5 H6 GLC 5 -10.795 -14.832 -15.015 896 H1 GLC 6 H1 GLC 6 -13.278 -17.003 -17.425 897 H2 GLC 6 H2 GLC 6 -14.204 -16.386 -15.182 898 H3 GLC 6 H3 GLC 6 -14.759 -13.806 -14.968 899 H4 GLC 6 H4 GLC 6 -12.092 -13.395 -16.233 900 H5 GLC 6 H5 GLC 6 -14.567 -13.794 -18.041 901 1H6 GLC 6 1H6 GLC 6 -11.736 -13.080 -18.852 902 2H6 GLC 6 2H6 GLC 6 -12.994 -11.851 -18.594 903 HO2 GLC 6 HO2 GLC 6 -16.118 -15.374 -15.976 904 HO3 GLC 6 HO3 GLC 6 -13.117 -13.784 -13.589 905 HO6 GLC 6 H6 GLC 6 -14.144 -13.645 -20.098 906 H1 GLC 7 H1 GLC 7 -12.998 -12.231 -14.336 907 H2 GLC 7 H2 GLC 7 -13.780 -9.434 -15.377 908 H3 GLC 7 H3 GLC 7 -12.403 -10.018 -12.742 909 H4 GLC 7 H4 GLC 7 -15.053 -9.153 -12.206 910 H5 GLC 7 H5 GLC 7 -16.418 -11.057 -13.106 911 1H6 GLC 7 1H6 GLC 7 -16.930 -9.254 -14.382 912 2H6 GLC 7 2H6 GLC 7 -15.278 -8.897 -14.836 913 HO2 GLC 7 HO2 GLC 7 -11.442 -10.847 -15.213 914 HO3 GLC 7 HO3 GLC 7 -13.430 -7.827 -14.077 915 HO6 GLC 7 H6 GLC 7 -16.993 -10.959 -15.860 No H/Q in entry = 915
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