data_PRDCC_000152
# 
_chem_comp.id                                    PRD_000152 
_chem_comp.name                                  "GRAMICIDIN D" 
_chem_comp.formula                               "C99 H140 N20 O17" 
_chem_comp.formula_weight                        1882.295 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.type                                  peptide-like 
_chem_comp.pdbx_type                             ? 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    ? 
_chem_comp.pdbx_initial_date                     ? 
_chem_comp.pdbx_modified_date                    ? 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   ? 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   ? 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_pcm                              ? 
_chem_comp.pdbx_processing_site                  ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_residue_numbering 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_polymer_type 
_chem_comp_atom.pdbx_ref_id 
_chem_comp_atom.pdbx_component_id 
_chem_comp_atom.pdbx_ordinal 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
PRD_000152 C1   C1   C 0 1 N N N 20.541 18.582 21.212 -21.216 3.795   1.825  FVA 1  C    polymer 1 1 1   ? ? ? 
PRD_000152 N1   N1   N 0 1 N N N 22.642 19.360 20.286 -23.557 3.345   2.279  FVA 1  N    polymer 1 1 2   ? ? ? 
PRD_000152 O1   O1   O 0 1 N N N 20.042 18.275 20.095 -21.090 3.851   3.030  FVA 1  O    polymer 1 1 3   ? ? ? 
PRD_000152 C2   C2   C 0 1 N N S 21.665 19.609 21.321 -22.583 3.612   1.218  FVA 1  CA   polymer 1 1 4   ? ? ? 
PRD_000152 C3   C3   C 0 1 N N N 21.035 20.968 21.124 -22.983 4.885   0.468  FVA 1  CB   polymer 1 1 5   ? ? ? 
PRD_000152 C4   C4   C 0 1 N N N 19.774 21.193 21.969 -24.374 4.702   -0.141 FVA 1  CG1  polymer 1 1 6   ? ? ? 
PRD_000152 C5   C5   C 0 1 N N N 22.034 22.081 21.520 -23.003 6.065   1.441  FVA 1  CG2  polymer 1 1 7   ? ? ? 
PRD_000152 O2   O2   O 0 1 N N N 24.199 18.413 21.658 -24.903 2.284   0.870  FVA 1  O1   polymer 1 1 8   ? ? ? 
PRD_000152 C6   C6   C 0 1 N N N 23.794 18.761 20.539 -24.690 2.670   2.000  FVA 1  CN   polymer 1 1 9   ? ? ? 
PRD_000152 N2   N2   N 0 1 N N N 20.266 17.909 22.306 -20.134 3.902   1.029  GLY 2  N    polymer 1 1 10  ? ? ? 
PRD_000152 C7   C7   C 0 1 N N N 19.262 16.893 22.342 -18.795 3.970   1.619  GLY 2  CA   polymer 1 1 11  ? ? ? 
PRD_000152 C8   C8   C 0 1 N N N 19.567 15.857 23.384 -17.768 4.086   0.522  GLY 2  C    polymer 1 1 12  ? ? ? 
PRD_000152 O3   O3   O 0 1 N N N 20.175 16.139 24.428 -18.120 4.110   -0.639 GLY 2  O    polymer 1 1 13  ? ? ? 
PRD_000152 N3   N3   N 0 1 N N N 19.147 14.625 23.145 -16.458 4.163   0.830  ALA 3  N    polymer 1 1 14  ? ? ? 
PRD_000152 C9   C9   C 0 1 N N S 19.273 13.553 24.120 -15.460 4.276   -0.237 ALA 3  CA   polymer 1 1 15  ? ? ? 
PRD_000152 C10  C10  C 0 1 N N N 20.594 12.836 23.970 -14.138 3.744   0.254  ALA 3  C    polymer 1 1 16  ? ? ? 
PRD_000152 O4   O4   O 0 1 N N N 21.082 12.655 22.862 -14.040 3.314   1.384  ALA 3  O    polymer 1 1 17  ? ? ? 
PRD_000152 C11  C11  C 0 1 N N N 18.109 12.577 23.978 -15.303 5.745   -0.635 ALA 3  CB   polymer 1 1 18  ? ? ? 
PRD_000152 N4   N4   N 0 1 N N N 21.111 12.366 25.099 -13.066 3.747   -0.562 DLE 4  N    polymer 1 1 19  ? ? ? 
PRD_000152 C12  C12  C 0 1 N N R 22.279 11.525 25.142 -11.781 3.230   -0.085 DLE 4  CA   polymer 1 1 20  ? ? ? 
PRD_000152 C13  C13  C 0 1 N N N 21.931 10.060 25.330 -11.032 4.336   0.662  DLE 4  CB   polymer 1 1 21  ? ? ? 
PRD_000152 C14  C14  C 0 1 N N N 21.007 9.394  24.321 -11.809 4.716   1.924  DLE 4  CG   polymer 1 1 22  ? ? ? 
PRD_000152 C15  C15  C 0 1 N N N 21.677 9.313  22.964 -11.836 3.525   2.884  DLE 4  CD1  polymer 1 1 23  ? ? ? 
PRD_000152 C16  C16  C 0 1 N N N 20.706 7.948  24.733 -11.127 5.905   2.604  DLE 4  CD2  polymer 1 1 24  ? ? ? 
PRD_000152 C17  C17  C 0 1 N N N 23.154 12.006 26.291 -10.957 2.770   -1.260 DLE 4  C    polymer 1 1 25  ? ? ? 
PRD_000152 O5   O5   O 0 1 N N N 22.659 12.392 27.348 -11.399 2.865   -2.385 DLE 4  O    polymer 1 1 26  ? ? ? 
PRD_000152 N5   N5   N 0 1 N N N 24.462 11.918 26.131 -9.728  2.254   -1.060 ALA 5  N    polymer 1 1 27  ? ? ? 
PRD_000152 C18  C18  C 0 1 N N S 25.420 12.294 27.165 -8.927  1.807   -2.202 ALA 5  CA   polymer 1 1 28  ? ? ? 
PRD_000152 C19  C19  C 0 1 N N N 25.874 13.736 26.955 -7.942  0.762   -1.747 ALA 5  C    polymer 1 1 29  ? ? ? 
PRD_000152 O6   O6   O 0 1 N N N 26.088 14.171 25.833 -7.911  0.423   -0.582 ALA 5  O    polymer 1 1 30  ? ? ? 
PRD_000152 C20  C20  C 0 1 N N N 26.610 11.400 27.106 -8.170  2.999   -2.792 ALA 5  CB   polymer 1 1 31  ? ? ? 
PRD_000152 N6   N6   N 0 1 N N N 26.187 14.408 28.056 -7.094  0.203   -2.633 DVA 6  N    polymer 1 1 32  ? ? ? 
PRD_000152 C21  C21  C 0 1 N N R 26.797 15.719 28.008 -6.136  -0.813  -2.190 DVA 6  CA   polymer 1 1 33  ? ? ? 
PRD_000152 C22  C22  C 0 1 N N N 28.357 15.537 28.110 -4.881  -0.128  -1.644 DVA 6  CB   polymer 1 1 34  ? ? ? 
PRD_000152 C23  C23  C 0 1 N N N 28.890 14.769 26.890 -4.317  0.821   -2.703 DVA 6  CG1  polymer 1 1 35  ? ? ? 
PRD_000152 C24  C24  C 0 1 N N N 29.210 16.755 28.273 -5.240  0.665   -0.386 DVA 6  CG2  polymer 1 1 36  ? ? ? 
PRD_000152 C25  C25  C 0 1 N N N 26.347 16.550 29.201 -5.761  -1.693  -3.355 DVA 6  C    polymer 1 1 37  ? ? ? 
PRD_000152 O7   O7   O 0 1 N N N 26.046 16.087 30.312 -6.247  -1.490  -4.448 DVA 6  O    polymer 1 1 38  ? ? ? 
PRD_000152 N7   N7   N 0 1 N N N 26.058 17.807 28.974 -4.887  -2.704  -3.183 VAL 7  N    polymer 1 1 39  ? ? ? 
PRD_000152 C26  C26  C 0 1 N N S 25.658 18.714 30.039 -4.523  -3.559  -4.315 VAL 7  CA   polymer 1 1 40  ? ? ? 
PRD_000152 C27  C27  C 0 1 N N N 24.218 19.167 29.834 -4.073  -4.903  -3.806 VAL 7  C    polymer 1 1 41  ? ? ? 
PRD_000152 O8   O8   O 0 1 N N N 23.797 19.458 28.709 -4.125  -5.875  -4.530 VAL 7  O    polymer 1 1 42  ? ? ? 
PRD_000152 C28  C28  C 0 1 N N N 26.509 19.953 30.276 -3.386  -2.905  -5.103 VAL 7  CB   polymer 1 1 43  ? ? ? 
PRD_000152 C29  C29  C 0 1 N N N 27.866 19.431 30.848 -2.144  -2.801  -4.215 VAL 7  CG1  polymer 1 1 44  ? ? ? 
PRD_000152 C30  C30  C 0 1 N N N 26.627 20.743 29.015 -3.064  -3.754  -6.334 VAL 7  CG2  polymer 1 1 45  ? ? ? 
PRD_000152 N8   N8   N 0 1 N N N 23.484 19.257 30.918 -3.612  -5.026  -2.545 DVA 8  N    polymer 1 1 46  ? ? ? 
PRD_000152 C31  C31  C 0 1 N N R 22.101 19.689 30.864 -3.066  -6.306  -2.086 DVA 8  CA   polymer 1 1 47  ? ? ? 
PRD_000152 C32  C32  C 0 1 N N N 22.006 21.218 31.028 -4.190  -7.155  -1.490 DVA 8  CB   polymer 1 1 48  ? ? ? 
PRD_000152 C33  C33  C 0 1 N N N 20.555 21.711 30.785 -4.886  -6.371  -0.376 DVA 8  CG1  polymer 1 1 49  ? ? ? 
PRD_000152 C34  C34  C 0 1 N N N 22.540 21.702 32.390 -5.204  -7.498  -2.583 DVA 8  CG2  polymer 1 1 50  ? ? ? 
PRD_000152 C35  C35  C 0 1 N N N 21.294 18.968 31.915 -2.014  -6.056  -1.036 DVA 8  C    polymer 1 1 51  ? ? ? 
PRD_000152 O9   O9   O 0 1 N N N 21.779 18.672 33.009 -1.754  -4.921  -0.696 DVA 8  O    polymer 1 1 52  ? ? ? 
PRD_000152 N9   N9   N 0 1 N N N 20.043 18.668 31.573 -1.362  -7.093  -0.475 TRP 9  N    polymer 1 1 53  ? ? ? 
PRD_000152 C36  C36  C 0 1 N N S 19.105 18.066 32.480 -0.269  -6.847  0.469  TRP 9  CA   polymer 1 1 54  ? ? ? 
PRD_000152 C37  C37  C 0 1 N N N 19.223 16.553 32.483 1.027   -6.714  -0.288 TRP 9  C    polymer 1 1 55  ? ? ? 
PRD_000152 O10  O10  O 0 1 N N N 19.315 15.939 31.413 1.037   -6.815  -1.496 TRP 9  O    polymer 1 1 56  ? ? ? 
PRD_000152 C38  C38  C 0 1 N N N 17.698 18.302 31.969 -0.169  -8.017  1.450  TRP 9  CB   polymer 1 1 57  ? ? ? 
PRD_000152 C39  C39  C 0 1 Y N N 17.381 19.736 31.708 -1.433  -8.097  2.267  TRP 9  CG   polymer 1 1 58  ? ? ? 
PRD_000152 C40  C40  C 0 1 Y N N 17.385 20.336 30.500 -1.657  -7.509  3.452  TRP 9  CD1  polymer 1 1 59  ? ? ? 
PRD_000152 C41  C41  C 0 1 Y N N 16.969 20.687 32.646 -2.654  -8.827  1.914  TRP 9  CD2  polymer 1 1 60  ? ? ? 
PRD_000152 N10  N10  N 0 1 Y N N 17.005 21.638 30.598 -2.918  -7.807  3.890  TRP 9  NE1  polymer 1 1 61  ? ? ? 
PRD_000152 C42  C42  C 0 1 Y N N 16.727 21.889 31.902 -3.555  -8.611  2.972  TRP 9  CE2  polymer 1 1 62  ? ? ? 
PRD_000152 C43  C43  C 0 1 Y N N 16.752 20.668 34.034 -3.033  -9.614  0.825  TRP 9  CE3  polymer 1 1 63  ? ? ? 
PRD_000152 C44  C44  C 0 1 Y N N 16.306 23.039 32.535 -4.819  -9.189  2.919  TRP 9  CZ2  polymer 1 1 64  ? ? ? 
PRD_000152 C45  C45  C 0 1 Y N N 16.317 21.845 34.590 -4.280  -10.172 0.793  TRP 9  CZ3  polymer 1 1 65  ? ? ? 
PRD_000152 C46  C46  C 0 1 Y N N 16.103 22.991 33.865 -5.173  -9.962  1.835  TRP 9  CH2  polymer 1 1 66  ? ? ? 
PRD_000152 N11  N11  N 0 1 N N N 19.161 15.952 33.645 2.176   -6.483  0.379  DLE 10 N    polymer 1 1 67  ? ? ? 
PRD_000152 C47  C47  C 0 1 N N R 19.055 14.520 33.727 3.417   -6.245  -0.362 DLE 10 CA   polymer 1 1 68  ? ? ? 
PRD_000152 C48  C48  C 0 1 N N N 17.599 14.234 34.534 4.015   -7.584  -0.799 DLE 10 CB   polymer 1 1 69  ? ? ? 
PRD_000152 C49  C49  C 0 1 N N N 16.464 14.576 33.593 5.251   -7.333  -1.665 DLE 10 CG   polymer 1 1 70  ? ? ? 
PRD_000152 C50  C50  C 0 1 N N N 16.341 13.585 32.446 5.888   -8.671  -2.047 DLE 10 CD1  polymer 1 1 71  ? ? ? 
PRD_000152 C51  C51  C 0 1 N N N 15.102 14.630 34.276 4.842   -6.582  -2.934 DLE 10 CD2  polymer 1 1 72  ? ? ? 
PRD_000152 C52  C52  C 0 1 N N N 19.895 13.952 34.844 4.399   -5.522  0.522  DLE 10 C    polymer 1 1 73  ? ? ? 
PRD_000152 O11  O11  O 0 1 N N N 19.946 14.484 35.950 4.165   -5.386  1.705  DLE 10 O    polymer 1 1 74  ? ? ? 
PRD_000152 N12  N12  N 0 1 N N N 20.498 12.832 34.558 5.538   -5.025  -0.000 TRP 11 N    polymer 1 1 75  ? ? ? 
PRD_000152 C53  C53  C 0 1 N N S 21.094 12.032 35.602 6.437   -4.222  0.833  TRP 11 CA   polymer 1 1 76  ? ? ? 
PRD_000152 C54  C54  C 0 1 N N N 22.601 12.088 35.532 7.130   -3.193  -0.023 TRP 11 C    polymer 1 1 77  ? ? ? 
PRD_000152 O12  O12  O 0 1 N N N 23.174 12.012 34.439 6.896   -3.137  -1.212 TRP 11 O    polymer 1 1 78  ? ? ? 
PRD_000152 C55  C55  C 0 1 N N N 20.690 10.588 35.288 7.481   -5.133  1.481  TRP 11 CB   polymer 1 1 79  ? ? ? 
PRD_000152 C56  C56  C 0 1 Y N N 19.252 10.269 35.140 6.807   -6.038  2.480  TRP 11 CG   polymer 1 1 80  ? ? ? 
PRD_000152 C57  C57  C 0 1 Y N N 18.524 10.178 33.986 6.418   -5.708  3.721  TRP 11 CD1  polymer 1 1 81  ? ? ? 
PRD_000152 C58  C58  C 0 1 Y N N 18.371 9.973  36.236 6.448   -7.444  2.278  TRP 11 CD2  polymer 1 1 82  ? ? ? 
PRD_000152 N13  N13  N 0 1 Y N N 17.252 9.820  34.321 5.843   -6.788  4.333  TRP 11 NE1  polymer 1 1 83  ? ? ? 
PRD_000152 C59  C59  C 0 1 Y N N 17.132 9.708  35.665 5.846   -7.867  3.477  TRP 11 CE2  polymer 1 1 84  ? ? ? 
PRD_000152 C60  C60  C 0 1 Y N N 18.543 9.924  37.615 6.586   -8.338  1.215  TRP 11 CE3  polymer 1 1 85  ? ? ? 
PRD_000152 C61  C61  C 0 1 Y N N 16.033 9.388  36.460 5.394   -9.178  3.587  TRP 11 CZ2  polymer 1 1 86  ? ? ? 
PRD_000152 C62  C62  C 0 1 Y N N 17.448 9.586  38.402 6.136   -9.621  1.344  TRP 11 CZ3  polymer 1 1 87  ? ? ? 
PRD_000152 C63  C63  C 0 1 Y N N 16.240 9.320  37.784 5.540   -10.043 2.525  TRP 11 CH2  polymer 1 1 88  ? ? ? 
PRD_000152 N14  N14  N 0 1 N N N 23.179 12.148 36.720 8.010   -2.336  0.532  DLE 12 N    polymer 1 1 89  ? ? ? 
PRD_000152 C64  C64  C 0 1 N N R 24.625 12.084 36.893 8.765   -1.411  -0.315 DLE 12 CA   polymer 1 1 90  ? ? ? 
PRD_000152 C65  C65  C 0 1 N N N 25.039 10.717 37.621 9.959   -2.142  -0.932 DLE 12 CB   polymer 1 1 91  ? ? ? 
PRD_000152 C66  C66  C 0 1 N N N 24.658 9.548  36.780 10.644  -1.230  -1.952 DLE 12 CG   polymer 1 1 92  ? ? ? 
PRD_000152 C67  C67  C 0 1 N N N 25.656 9.433  35.596 11.880  -1.934  -2.516 DLE 12 CD1  polymer 1 1 93  ? ? ? 
PRD_000152 C68  C68  C 0 1 N N N 24.682 8.288  37.613 9.671   -0.918  -3.091 DLE 12 CD2  polymer 1 1 94  ? ? ? 
PRD_000152 C69  C69  C 0 1 N N N 25.029 13.153 37.899 9.259   -0.256  0.518  DLE 12 C    polymer 1 1 95  ? ? ? 
PRD_000152 O13  O13  O 0 1 N N N 24.343 13.330 38.907 9.156   -0.292  1.726  DLE 12 O    polymer 1 1 96  ? ? ? 
PRD_000152 N15  N15  N 0 1 N N N 26.129 13.816 37.755 9.815   0.817   -0.079 TRP 13 N    polymer 1 1 97  ? ? ? 
PRD_000152 C70  C70  C 0 1 N N S 26.695 14.646 38.825 10.221  1.973   0.723  TRP 13 CA   polymer 1 1 98  ? ? ? 
PRD_000152 C71  C71  C 0 1 N N N 26.535 16.115 38.482 10.068  3.230   -0.094 TRP 13 C    polymer 1 1 99  ? ? ? 
PRD_000152 O14  O14  O 0 1 N N N 26.729 16.638 37.357 9.660   3.167   -1.234 TRP 13 O    polymer 1 1 100 ? ? ? 
PRD_000152 C72  C72  C 0 1 N N N 28.177 14.319 38.976 11.683  1.813   1.145  TRP 13 CB   polymer 1 1 101 ? ? ? 
PRD_000152 C73  C73  C 0 1 Y N N 28.429 12.954 39.517 11.812  0.634   2.074  TRP 13 CG   polymer 1 1 102 ? ? ? 
PRD_000152 C74  C74  C 0 1 Y N N 28.565 11.746 38.879 11.508  0.611   3.382  TRP 13 CD1  polymer 1 1 103 ? ? ? 
PRD_000152 C75  C75  C 0 1 Y N N 28.625 12.553 40.871 12.286  -0.706  1.721  TRP 13 CD2  polymer 1 1 104 ? ? ? 
PRD_000152 N16  N16  N 0 1 Y N N 28.795 10.665 39.675 11.754  -0.633  3.896  TRP 13 NE1  polymer 1 1 105 ? ? ? 
PRD_000152 C76  C76  C 0 1 Y N N 28.836 11.173 40.908 12.231  -1.462  2.906  TRP 13 CE2  polymer 1 1 106 ? ? ? 
PRD_000152 C77  C77  C 0 1 Y N N 28.618 13.287 42.067 12.735  -1.296  0.538  TRP 13 CE3  polymer 1 1 107 ? ? ? 
PRD_000152 C78  C78  C 0 1 Y N N 29.063 10.490 42.083 12.627  -2.796  2.882  TRP 13 CZ2  polymer 1 1 108 ? ? ? 
PRD_000152 C79  C79  C 0 1 Y N N 28.843 12.561 43.235 13.119  -2.607  0.538  TRP 13 CZ3  polymer 1 1 109 ? ? ? 
PRD_000152 C80  C80  C 0 1 Y N N 29.070 11.159 43.272 13.066  -3.358  1.704  TRP 13 CH2  polymer 1 1 110 ? ? ? 
PRD_000152 N17  N17  N 0 1 N N N 26.165 16.795 39.534 10.385  4.425   0.443  DLE 14 N    polymer 1 1 111 ? ? ? 
PRD_000152 C81  C81  C 0 1 N N R 25.928 18.229 39.453 10.237  5.647   -0.352 DLE 14 CA   polymer 1 1 112 ? ? ? 
PRD_000152 C82  C82  C 0 1 N N N 27.175 19.063 39.388 11.493  5.860   -1.199 DLE 14 CB   polymer 1 1 113 ? ? ? 
PRD_000152 C83  C83  C 0 1 N N N 28.053 19.060 40.666 11.617  4.727   -2.220 DLE 14 CG   polymer 1 1 114 ? ? ? 
PRD_000152 C84  C84  C 0 1 N N N 28.657 17.694 40.896 10.447  4.796   -3.204 DLE 14 CD1  polymer 1 1 115 ? ? ? 
PRD_000152 C85  C85  C 0 1 N N N 29.175 20.076 40.516 12.935  4.870   -2.983 DLE 14 CD2  polymer 1 1 116 ? ? ? 
PRD_000152 C86  C86  C 0 1 N N N 24.987 18.630 40.569 10.047  6.825   0.569  DLE 14 C    polymer 1 1 117 ? ? ? 
PRD_000152 O15  O15  O 0 1 N N N 25.183 18.273 41.732 10.037  6.660   1.771  DLE 14 O    polymer 1 1 118 ? ? ? 
PRD_000152 N18  N18  N 0 1 N N N 23.982 19.446 40.223 9.889   8.062   0.058  TRP 15 N    polymer 1 1 119 ? ? ? 
PRD_000152 C87  C87  C 0 1 N N S 23.104 20.097 41.165 9.705   9.207   0.953  TRP 15 CA   polymer 1 1 120 ? ? ? 
PRD_000152 C88  C88  C 0 1 N N N 21.683 19.621 41.025 8.248   9.329   1.319  TRP 15 C    polymer 1 1 121 ? ? ? 
PRD_000152 O16  O16  O 0 1 N N N 21.252 19.076 40.024 7.443   8.537   0.876  TRP 15 O    polymer 1 1 122 ? ? ? 
PRD_000152 C89  C89  C 0 1 N N N 23.111 21.619 40.912 10.162  10.485  0.247  TRP 15 CB   polymer 1 1 123 ? ? ? 
PRD_000152 C90  C90  C 0 1 Y N N 24.521 22.151 41.292 11.645  10.414  -0.009 TRP 15 CG   polymer 1 1 124 ? ? ? 
PRD_000152 C91  C91  C 0 1 Y N N 25.214 22.101 42.444 12.615  10.921  0.768  TRP 15 CD1  polymer 1 1 125 ? ? ? 
PRD_000152 C92  C92  C 0 1 Y N N 25.420 22.834 40.388 12.303  9.774   -1.151 TRP 15 CD2  polymer 1 1 126 ? ? ? 
PRD_000152 N19  N19  N 0 1 Y N N 26.434 22.711 42.339 13.839  10.662  0.215  TRP 15 NE1  polymer 1 1 127 ? ? ? 
PRD_000152 C93  C93  C 0 1 Y N N 26.586 23.164 41.094 13.684  9.962   -0.960 TRP 15 CE2  polymer 1 1 128 ? ? ? 
PRD_000152 C94  C94  C 0 1 Y N N 25.383 23.246 39.044 11.842  9.084   -2.274 TRP 15 CE3  polymer 1 1 129 ? ? ? 
PRD_000152 C95  C95  C 0 1 Y N N 27.715 23.857 40.575 14.577  9.455   -1.899 TRP 15 CZ2  polymer 1 1 130 ? ? ? 
PRD_000152 C96  C96  C 0 1 Y N N 26.463 23.929 38.485 12.737  8.595   -3.184 TRP 15 CZ3  polymer 1 1 131 ? ? ? 
PRD_000152 C97  C97  C 0 1 Y N N 27.595 24.198 39.293 14.101  8.777   -3.000 TRP 15 CH2  polymer 1 1 132 ? ? ? 
PRD_000152 C98  C98  C 0 1 N N N 19.414 19.749 41.992 6.424   10.436  2.495  ETA 16 CA   polymer 1 1 133 ? ? ? 
PRD_000152 N20  N20  N 0 1 N N N 20.806 20.059 41.943 7.840   10.318  2.139  ETA 16 N    polymer 1 1 134 ? ? ? 
PRD_000152 C99  C99  C 0 1 N N N 18.771 19.092 43.249 6.231   11.632  3.430  ETA 16 C    polymer 1 1 135 ? ? ? 
PRD_000152 O17  O17  O 0 1 N N N 19.674 18.348 44.040 6.548   12.838  2.732  ETA 16 O    polymer 1 1 136 ? ? ? 
PRD_000152 H1   H1   H 0 1 N N N 22.441 19.649 19.350 -23.387 3.654   3.183  FVA 1  H    polymer 1 1 137 ? ? ? 
PRD_000152 H2   H2   H 0 1 N N N 22.126 19.550 22.318 -22.563 2.773   0.523  FVA 1  HA   polymer 1 1 138 ? ? ? 
PRD_000152 H3   H3   H 0 1 N N N 20.775 21.092 20.062 -22.261 5.080   -0.326 FVA 1  HB   polymer 1 1 139 ? ? ? 
PRD_000152 H4   H4   H 0 0 N N N 20.026 21.101 23.036 -25.095 4.507   0.652  FVA 1  HG11 polymer 1 1 140 ? ? ? 
PRD_000152 H5   H5   H 0 0 N N N 19.017 20.440 21.705 -24.659 5.609   -0.676 FVA 1  HG12 polymer 1 1 141 ? ? ? 
PRD_000152 H6   H6   H 0 0 N N N 19.375 22.199 21.772 -24.360 3.861   -0.835 FVA 1  HG13 polymer 1 1 142 ? ? ? 
PRD_000152 H7   H7   H 0 0 N N N 22.934 22.006 20.892 -23.782 5.909   2.186  FVA 1  HG21 polymer 1 1 143 ? ? ? 
PRD_000152 H8   H8   H 0 0 N N N 21.565 23.065 21.373 -22.035 6.143   1.938  FVA 1  HG22 polymer 1 1 144 ? ? ? 
PRD_000152 H9   H9   H 0 0 N N N 22.314 21.963 22.577 -23.204 6.985   0.892  FVA 1  HG23 polymer 1 1 145 ? ? ? 
PRD_000152 H10  H10  H 0 1 N N N 24.438 18.557 19.697 -25.408 2.473   2.782  FVA 1  HN   polymer 1 1 146 ? ? ? 
PRD_000152 H11  H11  H 0 1 N N N 20.776 18.114 23.141 -20.242 3.935   0.066  GLY 2  H    polymer 1 1 147 ? ? ? 
PRD_000152 H12  H12  H 0 1 N N N 18.292 17.357 22.572 -18.729 4.841   2.272  GLY 2  HA2  polymer 1 1 148 ? ? ? 
PRD_000152 H13  H13  H 0 1 N N N 19.211 16.406 21.357 -18.607 3.066   2.198  GLY 2  HA3  polymer 1 1 149 ? ? ? 
PRD_000152 H14  H14  H 0 1 N N N 18.727 14.423 22.260 -16.176 4.144   1.758  ALA 3  H    polymer 1 1 150 ? ? ? 
PRD_000152 H15  H15  H 0 1 N N N 19.231 13.985 25.131 -15.786 3.698   -1.101 ALA 3  HA   polymer 1 1 151 ? ? ? 
PRD_000152 H16  H16  H 0 1 N N N 18.213 11.771 24.719 -14.560 5.828   -1.429 ALA 3  HB1  polymer 1 1 152 ? ? ? 
PRD_000152 H17  H17  H 0 1 N N N 17.161 13.110 24.147 -16.259 6.129   -0.990 ALA 3  HB2  polymer 1 1 153 ? ? ? 
PRD_000152 H18  H18  H 0 1 N N N 18.113 12.147 22.966 -14.977 6.323   0.230  ALA 3  HB3  polymer 1 1 154 ? ? ? 
PRD_000152 H19  H19  H 0 1 N N N 20.667 12.608 25.962 -13.145 4.091   -1.465 DLE 4  H    polymer 1 1 155 ? ? ? 
PRD_000152 H20  H20  H 0 1 N N N 22.845 11.632 24.205 -11.954 2.390   0.588  DLE 4  HA   polymer 1 1 156 ? ? ? 
PRD_000152 H21  H21  H 0 1 N N N 22.877 9.499  25.323 -10.040 3.979   0.940  DLE 4  HB2  polymer 1 1 157 ? ? ? 
PRD_000152 H22  H22  H 0 1 N N N 21.455 9.964  26.317 -10.936 5.209   0.017  DLE 4  HB3  polymer 1 1 158 ? ? ? 
PRD_000152 H23  H23  H 0 1 N N N 20.068 9.961  24.243 -12.830 4.988   1.654  DLE 4  HG   polymer 1 1 159 ? ? ? 
PRD_000152 H24  H24  H 0 0 N N N 20.997 8.830  22.247 -12.389 3.796   3.783  DLE 4  HD11 polymer 1 1 160 ? ? ? 
PRD_000152 H25  H25  H 0 0 N N N 21.919 10.327 22.613 -12.321 2.678   2.400  DLE 4  HD12 polymer 1 1 161 ? ? ? 
PRD_000152 H26  H26  H 0 0 N N N 22.602 8.723  23.047 -10.815 3.253   3.154  DLE 4  HD13 polymer 1 1 162 ? ? ? 
PRD_000152 H27  H27  H 0 0 N N N 20.038 7.486  23.991 -11.108 6.753   1.920  DLE 4  HD21 polymer 1 1 163 ? ? ? 
PRD_000152 H28  H28  H 0 0 N N N 21.646 7.378  24.785 -11.681 6.175   3.503  DLE 4  HD22 polymer 1 1 164 ? ? ? 
PRD_000152 H29  H29  H 0 0 N N N 20.219 7.942  25.719 -10.107 5.632   2.874  DLE 4  HD23 polymer 1 1 165 ? ? ? 
PRD_000152 H30  H30  H 0 1 N N N 24.813 11.577 25.259 -9.374  2.178   -0.160 ALA 5  H    polymer 1 1 166 ? ? ? 
PRD_000152 H31  H31  H 0 1 N N N 24.950 12.210 28.156 -9.583  1.381   -2.962 ALA 5  HA   polymer 1 1 167 ? ? ? 
PRD_000152 H32  H32  H 0 1 N N N 27.327 11.690 27.888 -7.514  3.424   -2.032 ALA 5  HB1  polymer 1 1 168 ? ? ? 
PRD_000152 H33  H33  H 0 1 N N N 26.294 10.359 27.266 -7.574  2.666   -3.642 ALA 5  HB2  polymer 1 1 169 ? ? ? 
PRD_000152 H34  H34  H 0 1 N N N 27.088 11.491 26.119 -8.882  3.755   -3.122 ALA 5  HB3  polymer 1 1 170 ? ? ? 
PRD_000152 H35  H35  H 0 1 N N N 25.995 13.995 28.946 -7.118  0.473   -3.564 DVA 6  H    polymer 1 1 171 ? ? ? 
PRD_000152 H36  H36  H 0 1 N N N 26.550 16.239 27.070 -6.588  -1.421  -1.406 DVA 6  HA   polymer 1 1 172 ? ? ? 
PRD_000152 H37  H37  H 0 1 N N N 28.535 14.898 28.987 -4.134  -0.882  -1.397 DVA 6  HB   polymer 1 1 173 ? ? ? 
PRD_000152 H38  H38  H 0 0 N N N 29.980 14.651 26.978 -5.065  1.575   -2.950 DVA 6  HG11 polymer 1 1 174 ? ? ? 
PRD_000152 H39  H39  H 0 0 N N N 28.416 13.777 26.846 -3.424  1.309   -2.314 DVA 6  HG12 polymer 1 1 175 ? ? ? 
PRD_000152 H40  H40  H 0 0 N N N 28.655 15.329 25.973 -4.062  0.256   -3.599 DVA 6  HG13 polymer 1 1 176 ? ? ? 
PRD_000152 H41  H41  H 0 0 N N N 30.268 16.458 28.328 -5.988  1.419   -0.633 DVA 6  HG21 polymer 1 1 177 ? ? ? 
PRD_000152 H42  H42  H 0 0 N N N 29.062 17.424 27.413 -5.642  -0.011  0.368  DVA 6  HG22 polymer 1 1 178 ? ? ? 
PRD_000152 H43  H43  H 0 0 N N N 28.928 17.279 29.198 -4.346  1.154   0.003  DVA 6  HG23 polymer 1 1 179 ? ? ? 
PRD_000152 H44  H44  H 0 1 N N N 26.114 18.155 28.038 -4.499  -2.865  -2.309 VAL 7  H    polymer 1 1 180 ? ? ? 
PRD_000152 H45  H45  H 0 1 N N N 25.673 18.141 30.978 -5.388  -3.688  -4.966 VAL 7  HA   polymer 1 1 181 ? ? ? 
PRD_000152 H46  H46  H 0 1 N N N 26.026 20.572 31.046 -3.691  -1.907  -5.420 VAL 7  HB   polymer 1 1 182 ? ? ? 
PRD_000152 H47  H47  H 0 0 N N N 28.534 20.283 31.043 -1.786  -3.802  -3.974 VAL 7  HG11 polymer 1 1 183 ? ? ? 
PRD_000152 H48  H48  H 0 0 N N N 27.683 18.886 31.786 -1.364  -2.254  -4.744 VAL 7  HG12 polymer 1 1 184 ? ? ? 
PRD_000152 H49  H49  H 0 0 N N N 28.336 18.756 30.118 -2.398  -2.274  -3.296 VAL 7  HG13 polymer 1 1 185 ? ? ? 
PRD_000152 H50  H50  H 0 0 N N N 27.244 21.636 29.197 -2.837  -4.773  -6.023 VAL 7  HG21 polymer 1 1 186 ? ? ? 
PRD_000152 H51  H51  H 0 0 N N N 27.099 20.124 28.238 -3.923  -3.762  -7.005 VAL 7  HG22 polymer 1 1 187 ? ? ? 
PRD_000152 H52  H52  H 0 0 N N N 25.625 21.051 28.681 -2.203  -3.332  -6.852 VAL 7  HG23 polymer 1 1 188 ? ? ? 
PRD_000152 H53  H53  H 0 1 N N N 23.888 19.022 31.802 -3.641  -4.267  -1.942 DVA 8  H    polymer 1 1 189 ? ? ? 
PRD_000152 H54  H54  H 0 1 N N N 21.686 19.432 29.878 -2.619  -6.833  -2.929 DVA 8  HA   polymer 1 1 190 ? ? ? 
PRD_000152 H55  H55  H 0 1 N N N 22.638 21.671 30.249 -3.772  -8.075  -1.081 DVA 8  HB   polymer 1 1 191 ? ? ? 
PRD_000152 H56  H56  H 0 0 N N N 20.513 22.803 30.908 -5.378  -5.496  -0.800 DVA 8  HG11 polymer 1 1 192 ? ? ? 
PRD_000152 H57  H57  H 0 0 N N N 20.243 21.444 29.764 -5.628  -7.007  0.106  DVA 8  HG12 polymer 1 1 193 ? ? ? 
PRD_000152 H58  H58  H 0 0 N N N 19.880 21.234 31.511 -4.147  -6.052  0.360  DVA 8  HG13 polymer 1 1 194 ? ? ? 
PRD_000152 H59  H59  H 0 0 N N N 22.448 22.796 32.452 -5.705  -6.588  -2.912 DVA 8  HG21 polymer 1 1 195 ? ? ? 
PRD_000152 H60  H60  H 0 0 N N N 21.956 21.239 33.199 -4.688  -7.955  -3.428 DVA 8  HG22 polymer 1 1 196 ? ? ? 
PRD_000152 H61  H61  H 0 0 N N N 23.597 21.416 32.492 -5.942  -8.196  -2.188 DVA 8  HG23 polymer 1 1 197 ? ? ? 
PRD_000152 H62  H62  H 0 1 N N N 19.742 18.871 30.641 -1.617  -8.003  -0.695 TRP 9  H    polymer 1 1 198 ? ? ? 
PRD_000152 H63  H63  H 0 1 N N N 19.215 18.462 33.500 -0.464  -5.927  1.020  TRP 9  HA   polymer 1 1 199 ? ? ? 
PRD_000152 H64  H64  H 0 1 N N N 17.573 17.743 31.030 -0.035  -8.946  0.896  TRP 9  HB2  polymer 1 1 200 ? ? ? 
PRD_000152 H65  H65  H 0 1 N N N 16.989 17.922 32.719 0.682   -7.863  2.113  TRP 9  HB3  polymer 1 1 201 ? ? ? 
PRD_000152 H66  H66  H 0 1 N N N 17.655 19.846 29.576 -0.946  -6.892  3.982  TRP 9  HD1  polymer 1 1 202 ? ? ? 
PRD_000152 H67  H67  H 0 1 N N N 16.942 22.293 29.845 -3.307  -7.495  4.723  TRP 9  HE1  polymer 1 1 203 ? ? ? 
PRD_000152 H68  H68  H 0 1 N N N 16.917 19.781 34.627 -2.344  -9.781  0.010  TRP 9  HE3  polymer 1 1 204 ? ? ? 
PRD_000152 H69  H69  H 0 1 N N N 16.144 23.951 31.980 -5.521  -9.032  3.725  TRP 9  HZ2  polymer 1 1 205 ? ? ? 
PRD_000152 H70  H70  H 0 1 N N N 16.133 21.871 35.654 -4.573  -10.781 -0.049 TRP 9  HZ3  polymer 1 1 206 ? ? ? 
PRD_000152 H71  H71  H 0 1 N N N 15.762 23.879 34.376 -6.155  -10.409 1.795  TRP 9  HH2  polymer 1 1 207 ? ? ? 
PRD_000152 H72  H72  H 0 1 N N N 19.188 16.495 34.484 2.181   -6.475  1.348  DLE 10 H    polymer 1 1 208 ? ? ? 
PRD_000152 H73  H73  H 0 1 N N N 19.116 13.972 32.775 3.205   -5.638  -1.242 DLE 10 HA   polymer 1 1 209 ? ? ? 
PRD_000152 H74  H74  H 0 1 N N N 17.536 13.175 34.825 4.299   -8.160  0.081  DLE 10 HB2  polymer 1 1 210 ? ? ? 
PRD_000152 H75  H75  H 0 1 N N N 17.541 14.865 35.433 3.276   -8.141  -1.375 DLE 10 HB3  polymer 1 1 211 ? ? ? 
PRD_000152 H76  H76  H 0 1 N N N 16.666 15.568 33.163 5.971   -6.735  -1.105 DLE 10 HG   polymer 1 1 212 ? ? ? 
PRD_000152 H77  H77  H 0 0 N N N 15.504 13.879 31.795 5.168   -9.269  -2.606 DLE 10 HD11 polymer 1 1 213 ? ? ? 
PRD_000152 H78  H78  H 0 0 N N N 17.274 13.580 31.864 6.768   -8.491  -2.663 DLE 10 HD12 polymer 1 1 214 ? ? ? 
PRD_000152 H79  H79  H 0 0 N N N 16.155 12.579 32.849 6.179   -9.205  -1.143 DLE 10 HD13 polymer 1 1 215 ? ? ? 
PRD_000152 H80  H80  H 0 0 N N N 14.329 14.883 33.535 4.173   -7.207  -3.525 DLE 10 HD21 polymer 1 1 216 ? ? ? 
PRD_000152 H81  H81  H 0 0 N N N 14.876 13.650 34.721 4.330   -5.659  -2.661 DLE 10 HD22 polymer 1 1 217 ? ? ? 
PRD_000152 H82  H82  H 0 0 N N N 15.118 15.396 35.065 5.731   -6.345  -3.519 DLE 10 HD23 polymer 1 1 218 ? ? ? 
PRD_000152 H83  H83  H 0 1 N N N 20.548 12.524 33.608 5.763   -5.199  -0.928 TRP 11 H    polymer 1 1 219 ? ? ? 
PRD_000152 H84  H84  H 0 1 N N N 20.736 12.326 36.600 5.861   -3.720  1.610  TRP 11 HA   polymer 1 1 220 ? ? ? 
PRD_000152 H85  H85  H 0 1 N N N 21.182 10.312 34.344 7.965   -5.736  0.713  TRP 11 HB2  polymer 1 1 221 ? ? ? 
PRD_000152 H86  H86  H 0 1 N N N 21.079 9.958  36.102 8.229   -4.524  1.989  TRP 11 HB3  polymer 1 1 222 ? ? ? 
PRD_000152 H87  H87  H 0 1 N N N 18.892 10.358 32.987 6.540   -4.733  4.171  TRP 11 HD1  polymer 1 1 223 ? ? ? 
PRD_000152 H88  H88  H 0 1 N N N 16.512 9.662  33.667 5.485   -6.793  5.234  TRP 11 HE1  polymer 1 1 224 ? ? ? 
PRD_000152 H89  H89  H 0 1 N N N 19.501 10.143 38.063 7.048   -8.016  0.293  TRP 11 HE3  polymer 1 1 225 ? ? ? 
PRD_000152 H90  H90  H 0 1 N N N 15.060 9.203  36.030 4.930   -9.517  4.502  TRP 11 HZ2  polymer 1 1 226 ? ? ? 
PRD_000152 H91  H91  H 0 1 N N N 17.539 9.532  39.477 6.243   -10.312 0.521  TRP 11 HZ3  polymer 1 1 227 ? ? ? 
PRD_000152 H92  H92  H 0 1 N N N 15.406 9.038  38.410 5.188   -11.061 2.612  TRP 11 HH2  polymer 1 1 228 ? ? ? 
PRD_000152 H93  H93  H 0 1 N N N 22.602 12.241 37.531 8.143   -2.333  1.493  DLE 12 H    polymer 1 1 229 ? ? ? 
PRD_000152 H94  H94  H 0 1 N N N 25.170 12.195 35.944 8.119   -1.036  -1.109 DLE 12 HA   polymer 1 1 230 ? ? ? 
PRD_000152 H95  H95  H 0 1 N N N 26.127 10.708 37.784 10.668  -2.406  -0.147 DLE 12 HB2  polymer 1 1 231 ? ? ? 
PRD_000152 H96  H96  H 0 1 N N N 24.522 10.651 38.590 9.613   -3.048  -1.429 DLE 12 HB3  polymer 1 1 232 ? ? ? 
PRD_000152 H97  H97  H 0 1 N N N 23.646 9.698  36.376 10.944  -0.302  -1.466 DLE 12 HG   polymer 1 1 233 ? ? ? 
PRD_000152 H98  H98  H 0 0 N N N 25.383 8.572  34.968 11.579  -2.862  -3.002 DLE 12 HD11 polymer 1 1 234 ? ? ? 
PRD_000152 H99  H99  H 0 0 N N N 25.618 10.353 34.994 12.368  -1.285  -3.243 DLE 12 HD12 polymer 1 1 235 ? ? ? 
PRD_000152 H100 H100 H 0 0 N N N 26.674 9.293  35.987 12.573  -2.157  -1.705 DLE 12 HD13 polymer 1 1 236 ? ? ? 
PRD_000152 H101 H101 H 0 0 N N N 24.400 7.429  36.987 9.300   -1.850  -3.517 DLE 12 HD21 polymer 1 1 237 ? ? ? 
PRD_000152 H102 H102 H 0 0 N N N 25.695 8.133  38.014 8.834   -0.336  -2.704 DLE 12 HD22 polymer 1 1 238 ? ? ? 
PRD_000152 H103 H103 H 0 0 N N N 23.969 8.385  38.445 10.186  -0.345  -3.862 DLE 12 HD23 polymer 1 1 239 ? ? ? 
PRD_000152 H104 H104 H 0 1 N N N 26.613 13.761 36.882 9.946   0.823   -1.040 TRP 13 H    polymer 1 1 240 ? ? ? 
PRD_000152 H105 H105 H 0 1 N N N 26.180 14.437 39.774 9.592   2.038   1.611  TRP 13 HA   polymer 1 1 241 ? ? ? 
PRD_000152 H106 H106 H 0 1 N N N 28.654 14.396 37.988 12.300  1.648   0.262  TRP 13 HB2  polymer 1 1 242 ? ? ? 
PRD_000152 H107 H107 H 0 1 N N N 28.628 15.054 39.659 12.015  2.717   1.656  TRP 13 HB3  polymer 1 1 243 ? ? ? 
PRD_000152 H108 H108 H 0 1 N N N 28.494 11.658 37.805 11.126  1.450   3.944  TRP 13 HD1  polymer 1 1 244 ? ? ? 
PRD_000152 H109 H109 H 0 1 N N N 28.907 9.710  39.399 11.612  -0.892  4.820  TRP 13 HE1  polymer 1 1 245 ? ? ? 
PRD_000152 H110 H110 H 0 1 N N N 28.448 14.353 42.081 12.778  -0.719  -0.373 TRP 13 HE3  polymer 1 1 246 ? ? ? 
PRD_000152 H111 H111 H 0 1 N N N 29.236 9.424  42.063 12.591  -3.388  3.785  TRP 13 HZ2  polymer 1 1 247 ? ? ? 
PRD_000152 H112 H112 H 0 1 N N N 28.845 13.098 44.172 13.466  -3.064  -0.378 TRP 13 HZ3  polymer 1 1 248 ? ? ? 
PRD_000152 H113 H113 H 0 1 N N N 29.241 10.643 44.205 13.373  -4.394  1.688  TRP 13 HH2  polymer 1 1 249 ? ? ? 
PRD_000152 H114 H114 H 0 1 N N N 26.043 16.324 40.408 10.711  4.476   1.355  DLE 14 H    polymer 1 1 250 ? ? ? 
PRD_000152 H115 H115 H 0 1 N N N 25.385 18.410 38.514 9.369   5.553   -1.005 DLE 14 HA   polymer 1 1 251 ? ? ? 
PRD_000152 H116 H116 H 0 1 N N N 27.789 18.689 38.555 11.420  6.813   -1.723 DLE 14 HB2  polymer 1 1 252 ? ? ? 
PRD_000152 H117 H117 H 0 1 N N N 26.876 20.102 39.185 12.370  5.865   -0.554 DLE 14 HB3  polymer 1 1 253 ? ? ? 
PRD_000152 H118 H118 H 0 1 N N N 27.428 19.334 41.529 11.599  3.768   -1.702 DLE 14 HG   polymer 1 1 254 ? ? ? 
PRD_000152 H119 H119 H 0 0 N N N 29.275 17.714 41.806 10.536  3.988   -3.931 DLE 14 HD11 polymer 1 1 255 ? ? ? 
PRD_000152 H120 H120 H 0 0 N N N 27.853 16.953 41.015 9.508   4.694   -2.660 DLE 14 HD12 polymer 1 1 256 ? ? ? 
PRD_000152 H121 H121 H 0 0 N N N 29.283 17.420 40.034 10.465  5.755   -3.722 DLE 14 HD13 polymer 1 1 257 ? ? ? 
PRD_000152 H122 H122 H 0 0 N N N 29.797 20.073 41.423 13.768  4.821   -2.282 DLE 14 HD21 polymer 1 1 258 ? ? ? 
PRD_000152 H123 H123 H 0 0 N N N 29.794 19.812 39.646 13.024  4.063   -3.710 DLE 14 HD22 polymer 1 1 259 ? ? ? 
PRD_000152 H124 H124 H 0 0 N N N 28.745 21.078 40.370 12.952  5.829   -3.501 DLE 14 HD23 polymer 1 1 260 ? ? ? 
PRD_000152 H125 H125 H 0 1 N N N 23.831 19.615 39.249 9.897   8.194   -0.903 TRP 15 H    polymer 1 1 261 ? ? ? 
PRD_000152 H126 H126 H 0 1 N N N 23.448 19.909 42.193 10.295  9.060   1.857  TRP 15 HA   polymer 1 1 262 ? ? ? 
PRD_000152 H127 H127 H 0 1 N N N 22.906 21.824 39.851 9.634   10.585  -0.701 TRP 15 HB2  polymer 1 1 263 ? ? ? 
PRD_000152 H128 H128 H 0 1 N N N 22.346 22.106 41.534 9.943   11.347  0.878  TRP 15 HB3  polymer 1 1 264 ? ? ? 
PRD_000152 H129 H129 H 0 1 N N N 24.850 21.634 43.347 12.453  11.454  1.693  TRP 15 HD1  polymer 1 1 265 ? ? ? 
PRD_000152 H130 H130 H 0 1 N N N 27.103 22.802 43.076 14.691  10.930  0.595  TRP 15 HE1  polymer 1 1 266 ? ? ? 
PRD_000152 H131 H131 H 0 1 N N N 24.513 23.032 38.441 10.783  8.937   -2.424 TRP 15 HE3  polymer 1 1 267 ? ? ? 
PRD_000152 H132 H132 H 0 1 N N N 28.589 24.086 41.166 15.639  9.593   -1.765 TRP 15 HZ2  polymer 1 1 268 ? ? ? 
PRD_000152 H133 H133 H 0 1 N N N 26.437 24.247 37.453 12.380  8.061   -4.052 TRP 15 HZ3  polymer 1 1 269 ? ? ? 
PRD_000152 H134 H134 H 0 1 N N N 28.423 24.719 38.835 14.796  8.384   -3.727 TRP 15 HH2  polymer 1 1 270 ? ? ? 
PRD_000152 H135 H135 H 0 1 N N N 18.879 20.696 41.829 5.833   10.583  1.591  ETA 16 HA1  polymer 1 1 271 ? ? ? 
PRD_000152 H136 H136 H 0 1 N N N 19.218 19.068 41.151 6.098   9.526   2.998  ETA 16 HA2  polymer 1 1 272 ? ? ? 
PRD_000152 H137 H137 H 0 1 N N N 21.162 20.659 42.660 8.483   10.951  2.493  ETA 16 H    polymer 1 1 273 ? ? ? 
PRD_000152 H138 H138 H 0 1 N N N 18.342 19.889 43.873 5.194   11.668  3.765  ETA 16 HB1  polymer 1 1 274 ? ? ? 
PRD_000152 H139 H139 H 0 1 N N N 17.970 18.417 42.914 6.889   11.528  4.293  ETA 16 HB2  polymer 1 1 275 ? ? ? 
PRD_000152 H140 H140 H 0 1 N N N 19.214 17.979 44.785 6.448   13.639  3.265  ETA 16 HO   polymer 1 1 276 ? ? ? 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
PRD_000152 O1  C1   DOUB N N 1   
PRD_000152 C1  C2   SING N N 2   
PRD_000152 H1  N1   SING N N 3   
PRD_000152 N1  C6   SING N N 4   
PRD_000152 N1  C2   SING N N 5   
PRD_000152 C3  C2   SING N N 6   
PRD_000152 C2  H2   SING N N 7   
PRD_000152 H3  C3   SING N N 8   
PRD_000152 C3  C5   SING N N 9   
PRD_000152 C3  C4   SING N N 10  
PRD_000152 H6  C4   SING N N 11  
PRD_000152 H5  C4   SING N N 12  
PRD_000152 C4  H4   SING N N 13  
PRD_000152 H8  C5   SING N N 14  
PRD_000152 H9  C5   SING N N 15  
PRD_000152 C5  H7   SING N N 16  
PRD_000152 C6  O2   DOUB N N 17  
PRD_000152 H10 C6   SING N N 18  
PRD_000152 N2  C7   SING N N 19  
PRD_000152 N2  H11  SING N N 20  
PRD_000152 C7  C8   SING N N 21  
PRD_000152 C7  H12  SING N N 22  
PRD_000152 C7  H13  SING N N 23  
PRD_000152 C8  O3   DOUB N N 24  
PRD_000152 N3  C9   SING N N 25  
PRD_000152 N3  H14  SING N N 26  
PRD_000152 C9  C10  SING N N 27  
PRD_000152 C9  C11  SING N N 28  
PRD_000152 C9  H15  SING N N 29  
PRD_000152 C10 O4   DOUB N N 30  
PRD_000152 C11 H16  SING N N 31  
PRD_000152 C11 H17  SING N N 32  
PRD_000152 C11 H18  SING N N 33  
PRD_000152 N4  C12  SING N N 34  
PRD_000152 N4  H19  SING N N 35  
PRD_000152 C12 C13  SING N N 36  
PRD_000152 C12 C17  SING N N 37  
PRD_000152 C12 H20  SING N N 38  
PRD_000152 C13 C14  SING N N 39  
PRD_000152 C13 H21  SING N N 40  
PRD_000152 C13 H22  SING N N 41  
PRD_000152 C14 C15  SING N N 42  
PRD_000152 C14 C16  SING N N 43  
PRD_000152 C14 H23  SING N N 44  
PRD_000152 C15 H24  SING N N 45  
PRD_000152 C15 H25  SING N N 46  
PRD_000152 C15 H26  SING N N 47  
PRD_000152 C16 H27  SING N N 48  
PRD_000152 C16 H28  SING N N 49  
PRD_000152 C16 H29  SING N N 50  
PRD_000152 C17 O5   DOUB N N 51  
PRD_000152 N5  C18  SING N N 52  
PRD_000152 N5  H30  SING N N 53  
PRD_000152 C18 C19  SING N N 54  
PRD_000152 C18 C20  SING N N 55  
PRD_000152 C18 H31  SING N N 56  
PRD_000152 C19 O6   DOUB N N 57  
PRD_000152 C20 H32  SING N N 58  
PRD_000152 C20 H33  SING N N 59  
PRD_000152 C20 H34  SING N N 60  
PRD_000152 N6  C21  SING N N 61  
PRD_000152 N6  H35  SING N N 62  
PRD_000152 C21 C22  SING N N 63  
PRD_000152 C21 C25  SING N N 64  
PRD_000152 C21 H36  SING N N 65  
PRD_000152 C22 C23  SING N N 66  
PRD_000152 C22 C24  SING N N 67  
PRD_000152 C22 H37  SING N N 68  
PRD_000152 C23 H38  SING N N 69  
PRD_000152 C23 H39  SING N N 70  
PRD_000152 C23 H40  SING N N 71  
PRD_000152 C24 H41  SING N N 72  
PRD_000152 C24 H42  SING N N 73  
PRD_000152 C24 H43  SING N N 74  
PRD_000152 C25 O7   DOUB N N 75  
PRD_000152 N7  C26  SING N N 76  
PRD_000152 N7  H44  SING N N 77  
PRD_000152 C26 C27  SING N N 78  
PRD_000152 C26 C28  SING N N 79  
PRD_000152 C26 H45  SING N N 80  
PRD_000152 C27 O8   DOUB N N 81  
PRD_000152 C28 C29  SING N N 82  
PRD_000152 C28 C30  SING N N 83  
PRD_000152 C28 H46  SING N N 84  
PRD_000152 C29 H47  SING N N 85  
PRD_000152 C29 H48  SING N N 86  
PRD_000152 C29 H49  SING N N 87  
PRD_000152 C30 H50  SING N N 88  
PRD_000152 C30 H51  SING N N 89  
PRD_000152 C30 H52  SING N N 90  
PRD_000152 N8  C31  SING N N 91  
PRD_000152 N8  H53  SING N N 92  
PRD_000152 C31 C32  SING N N 93  
PRD_000152 C31 C35  SING N N 94  
PRD_000152 C31 H54  SING N N 95  
PRD_000152 C32 C33  SING N N 96  
PRD_000152 C32 C34  SING N N 97  
PRD_000152 C32 H55  SING N N 98  
PRD_000152 C33 H56  SING N N 99  
PRD_000152 C33 H57  SING N N 100 
PRD_000152 C33 H58  SING N N 101 
PRD_000152 C34 H59  SING N N 102 
PRD_000152 C34 H60  SING N N 103 
PRD_000152 C34 H61  SING N N 104 
PRD_000152 C35 O9   DOUB N N 105 
PRD_000152 N9  C36  SING N N 106 
PRD_000152 N9  H62  SING N N 107 
PRD_000152 C36 C37  SING N N 108 
PRD_000152 C36 C38  SING N N 109 
PRD_000152 C36 H63  SING N N 110 
PRD_000152 C37 O10  DOUB N N 111 
PRD_000152 C38 C39  SING N N 112 
PRD_000152 C38 H64  SING N N 113 
PRD_000152 C38 H65  SING N N 114 
PRD_000152 C39 C40  DOUB Y N 115 
PRD_000152 C39 C41  SING Y N 116 
PRD_000152 C40 N10  SING Y N 117 
PRD_000152 C40 H66  SING N N 118 
PRD_000152 C41 C42  DOUB Y N 119 
PRD_000152 C41 C43  SING Y N 120 
PRD_000152 N10 C42  SING Y N 121 
PRD_000152 N10 H67  SING N N 122 
PRD_000152 C42 C44  SING Y N 123 
PRD_000152 C43 C45  DOUB Y N 124 
PRD_000152 C43 H68  SING N N 125 
PRD_000152 C44 C46  DOUB Y N 126 
PRD_000152 C44 H69  SING N N 127 
PRD_000152 C45 C46  SING Y N 128 
PRD_000152 C45 H70  SING N N 129 
PRD_000152 C46 H71  SING N N 130 
PRD_000152 N11 C47  SING N N 131 
PRD_000152 N11 H72  SING N N 132 
PRD_000152 C47 C48  SING N N 133 
PRD_000152 C47 C52  SING N N 134 
PRD_000152 C47 H73  SING N N 135 
PRD_000152 C48 C49  SING N N 136 
PRD_000152 C48 H74  SING N N 137 
PRD_000152 C48 H75  SING N N 138 
PRD_000152 C49 C50  SING N N 139 
PRD_000152 C49 C51  SING N N 140 
PRD_000152 C49 H76  SING N N 141 
PRD_000152 C50 H77  SING N N 142 
PRD_000152 C50 H78  SING N N 143 
PRD_000152 C50 H79  SING N N 144 
PRD_000152 C51 H80  SING N N 145 
PRD_000152 C51 H81  SING N N 146 
PRD_000152 C51 H82  SING N N 147 
PRD_000152 C52 O11  DOUB N N 148 
PRD_000152 N12 C53  SING N N 149 
PRD_000152 N12 H83  SING N N 150 
PRD_000152 C53 C54  SING N N 151 
PRD_000152 C53 C55  SING N N 152 
PRD_000152 C53 H84  SING N N 153 
PRD_000152 C54 O12  DOUB N N 154 
PRD_000152 C55 C56  SING N N 155 
PRD_000152 C55 H85  SING N N 156 
PRD_000152 C55 H86  SING N N 157 
PRD_000152 C56 C57  DOUB Y N 158 
PRD_000152 C56 C58  SING Y N 159 
PRD_000152 C57 N13  SING Y N 160 
PRD_000152 C57 H87  SING N N 161 
PRD_000152 C58 C59  DOUB Y N 162 
PRD_000152 C58 C60  SING Y N 163 
PRD_000152 N13 C59  SING Y N 164 
PRD_000152 N13 H88  SING N N 165 
PRD_000152 C59 C61  SING Y N 166 
PRD_000152 C60 C62  DOUB Y N 167 
PRD_000152 C60 H89  SING N N 168 
PRD_000152 C61 C63  DOUB Y N 169 
PRD_000152 C61 H90  SING N N 170 
PRD_000152 C62 C63  SING Y N 171 
PRD_000152 C62 H91  SING N N 172 
PRD_000152 C63 H92  SING N N 173 
PRD_000152 N14 C64  SING N N 174 
PRD_000152 N14 H93  SING N N 175 
PRD_000152 C64 C65  SING N N 176 
PRD_000152 C64 C69  SING N N 177 
PRD_000152 C64 H94  SING N N 178 
PRD_000152 C65 C66  SING N N 179 
PRD_000152 C65 H95  SING N N 180 
PRD_000152 C65 H96  SING N N 181 
PRD_000152 C66 C67  SING N N 182 
PRD_000152 C66 C68  SING N N 183 
PRD_000152 C66 H97  SING N N 184 
PRD_000152 C67 H98  SING N N 185 
PRD_000152 C67 H99  SING N N 186 
PRD_000152 C67 H100 SING N N 187 
PRD_000152 C68 H101 SING N N 188 
PRD_000152 C68 H102 SING N N 189 
PRD_000152 C68 H103 SING N N 190 
PRD_000152 C69 O13  DOUB N N 191 
PRD_000152 N15 C70  SING N N 192 
PRD_000152 N15 H104 SING N N 193 
PRD_000152 C70 C71  SING N N 194 
PRD_000152 C70 C72  SING N N 195 
PRD_000152 C70 H105 SING N N 196 
PRD_000152 C71 O14  DOUB N N 197 
PRD_000152 C72 C73  SING N N 198 
PRD_000152 C72 H106 SING N N 199 
PRD_000152 C72 H107 SING N N 200 
PRD_000152 C73 C74  DOUB Y N 201 
PRD_000152 C73 C75  SING Y N 202 
PRD_000152 C74 N16  SING Y N 203 
PRD_000152 C74 H108 SING N N 204 
PRD_000152 C75 C76  DOUB Y N 205 
PRD_000152 C75 C77  SING Y N 206 
PRD_000152 N16 C76  SING Y N 207 
PRD_000152 N16 H109 SING N N 208 
PRD_000152 C76 C78  SING Y N 209 
PRD_000152 C77 C79  DOUB Y N 210 
PRD_000152 C77 H110 SING N N 211 
PRD_000152 C78 C80  DOUB Y N 212 
PRD_000152 C78 H111 SING N N 213 
PRD_000152 C79 C80  SING Y N 214 
PRD_000152 C79 H112 SING N N 215 
PRD_000152 C80 H113 SING N N 216 
PRD_000152 N17 C81  SING N N 217 
PRD_000152 N17 H114 SING N N 218 
PRD_000152 C81 C82  SING N N 219 
PRD_000152 C81 C86  SING N N 220 
PRD_000152 C81 H115 SING N N 221 
PRD_000152 C82 C83  SING N N 222 
PRD_000152 C82 H116 SING N N 223 
PRD_000152 C82 H117 SING N N 224 
PRD_000152 C83 C84  SING N N 225 
PRD_000152 C83 C85  SING N N 226 
PRD_000152 C83 H118 SING N N 227 
PRD_000152 C84 H119 SING N N 228 
PRD_000152 C84 H120 SING N N 229 
PRD_000152 C84 H121 SING N N 230 
PRD_000152 C85 H122 SING N N 231 
PRD_000152 C85 H123 SING N N 232 
PRD_000152 C85 H124 SING N N 233 
PRD_000152 C86 O15  DOUB N N 234 
PRD_000152 N18 C87  SING N N 235 
PRD_000152 N18 H125 SING N N 236 
PRD_000152 C87 C88  SING N N 237 
PRD_000152 C87 C89  SING N N 238 
PRD_000152 C87 H126 SING N N 239 
PRD_000152 C88 O16  DOUB N N 240 
PRD_000152 C89 C90  SING N N 241 
PRD_000152 C89 H127 SING N N 242 
PRD_000152 C89 H128 SING N N 243 
PRD_000152 C90 C91  DOUB Y N 244 
PRD_000152 C90 C92  SING Y N 245 
PRD_000152 C91 N19  SING Y N 246 
PRD_000152 C91 H129 SING N N 247 
PRD_000152 C92 C93  DOUB Y N 248 
PRD_000152 C92 C94  SING Y N 249 
PRD_000152 N19 C93  SING Y N 250 
PRD_000152 N19 H130 SING N N 251 
PRD_000152 C93 C95  SING Y N 252 
PRD_000152 C94 C96  DOUB Y N 253 
PRD_000152 C94 H131 SING N N 254 
PRD_000152 C95 C97  DOUB Y N 255 
PRD_000152 C95 H132 SING N N 256 
PRD_000152 C96 C97  SING Y N 257 
PRD_000152 C96 H133 SING N N 258 
PRD_000152 C97 H134 SING N N 259 
PRD_000152 C98 N20  SING N N 260 
PRD_000152 C98 C99  SING N N 261 
PRD_000152 C98 H135 SING N N 262 
PRD_000152 C98 H136 SING N N 263 
PRD_000152 N20 H137 SING N N 264 
PRD_000152 C99 O17  SING N N 265 
PRD_000152 C99 H138 SING N N 266 
PRD_000152 C99 H139 SING N N 267 
PRD_000152 O17 H140 SING N N 268 
PRD_000152 C1  N2   SING N N 269 
PRD_000152 C10 N4   SING N N 270 
PRD_000152 C17 N5   SING N N 271 
PRD_000152 C19 N6   SING N N 272 
PRD_000152 C25 N7   SING N N 273 
PRD_000152 C27 N8   SING N N 274 
PRD_000152 C35 N9   SING N N 275 
PRD_000152 C37 N11  SING N N 276 
PRD_000152 C52 N12  SING N N 277 
PRD_000152 C54 N14  SING N N 278 
PRD_000152 C69 N15  SING N N 279 
PRD_000152 C71 N17  SING N N 280 
PRD_000152 C86 N18  SING N N 281 
PRD_000152 C88 N20  SING N N 282 
PRD_000152 C8  N3   SING N N 283 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
PRD_000152 InChI            InChI                1.03  "InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83+,84+,85-/m0/s1" 
PRD_000152 InChIKey         InChI                1.03  ZWCXYZRRTRDGQE-LUPIJMBPSA-N                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                         
PRD_000152 SMILES_CANONICAL CACTVS               3.370 "CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc7c[nH]c8ccccc78)C(=O)NCCO"                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    
PRD_000152 SMILES           CACTVS               3.370 "CC(C)C[CH](NC(=O)[CH](C)NC(=O)CNC(=O)[CH](NC=O)C(C)C)C(=O)N[CH](C)C(=O)N[CH](C(C)C)C(=O)N[CH](C(C)C)C(=O)N[CH](C(C)C)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(=O)N[CH](CC(C)C)C(=O)N[CH](Cc5c[nH]c6ccccc56)C(=O)N[CH](CC(C)C)C(=O)N[CH](Cc7c[nH]c8ccccc78)C(=O)NCCO"                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
PRD_000152 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc5c[nH]c6c5cccc6)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc7c[nH]c8c7cccc8)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O"                                                                                                                                                                                                                                                                                                                                                                                                                                                                                     
PRD_000152 SMILES           "OpenEye OEToolkits" 1.7.6 "CC(C)CC(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(CC(C)C)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)NC(CC(C)C)C(=O)NC(Cc5c[nH]c6c5cccc6)C(=O)NC(CC(C)C)C(=O)NC(Cc7c[nH]c8c7cccc8)C(=O)NCCO)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC=O"                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    
# 
_pdbx_chem_comp_identifier.comp_id           PRD_000152 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   1.7.6 
_pdbx_chem_comp_identifier.identifier        "(2R)-2-[[(2S)-2-[2-[[(2S)-2-formamido-3-methyl-butanoyl]amino]ethanoylamino]propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-4-methyl-pentanamide" 
# 
