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wip, schema generation scripts

Alexander Rose 7 年之前
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8356184565

+ 4448 - 0
data/mmcif-usage-counts.txt

@@ -0,0 +1,4448 @@
+field_name usage_count
+_atom_sites_alt.Structure_ID        181
+_atom_sites_alt.details     0
+_atom_sites_alt.id      181
+_atom_sites_alt_ens.Structure_ID        0
+_atom_sites_alt_ens.details     0
+_atom_sites_alt_ens.id      0
+_atom_sites_alt_gen.Structure_ID        0
+_atom_sites_alt_gen.alt_id      0
+_atom_sites_alt_gen.ens_id      0
+_atom_sites_footnote.Structure_ID       2482
+_atom_sites_footnote.id     2482
+_atom_sites_footnote.text       2452
+_atom_type.Structure_ID     103315
+_atom_type.analytical_mass_percent      0
+_atom_type.description      0
+_atom_type.number_in_cell       0
+_atom_type.oxidation_number     1
+_atom_type.radius_bond      0
+_atom_type.radius_contact       0
+_atom_type.scat_Cromer_Mann_a1      29
+_atom_type.scat_Cromer_Mann_a2      29
+_atom_type.scat_Cromer_Mann_a3      28
+_atom_type.scat_Cromer_Mann_a4      28
+_atom_type.scat_Cromer_Mann_b1      29
+_atom_type.scat_Cromer_Mann_b2      29
+_atom_type.scat_Cromer_Mann_b3      28
+_atom_type.scat_Cromer_Mann_b4      28
+_atom_type.scat_Cromer_Mann_c       25
+_atom_type.scat_dispersion_imag     7
+_atom_type.scat_dispersion_real     7
+_atom_type.scat_length_neutron      0
+_atom_type.scat_source      1
+_atom_type.scat_versus_stol_list        0
+_atom_type.symbol       103315
+_atom_type.scat_dispersion_source       0
+_audit.Structure_ID     73
+_audit.creation_date        73
+_audit.creation_method      5
+_audit.revision_id      73
+_audit.update_record        67
+_audit_author.Structure_ID      103314
+_audit_author.address       0
+_audit_author.name      103314
+_audit_author.pdbx_ordinal      103314
+_audit_conform.Structure_ID     100977
+_audit_conform.dict_location        100977
+_audit_conform.dict_name        100977
+_audit_conform.dict_version     100977
+_audit_contact_author.Structure_ID      0
+_audit_contact_author.address       0
+_audit_contact_author.email     0
+_audit_contact_author.fax       0
+_audit_contact_author.name      0
+_audit_contact_author.phone     0
+_cell1.Structure_ID     96250
+_cell1.angle_alpha      96058
+_cell1.angle_alpha_esd      1
+_cell1.angle_beta       96058
+_cell1.angle_beta_esd       29
+_cell1.angle_gamma      96058
+_cell1.angle_gamma_esd      1
+_cell1.entry_id     96250
+_cell1.details      0
+_cell1.formula_units_Z      0
+_cell1.length_a     96047
+_cell1.length_a_esd     71
+_cell1.length_b     96047
+_cell1.length_b_esd     71
+_cell1.length_c     96047
+_cell1.length_c_esd     71
+_cell1.volume       1
+_cell1.volume_esd       0
+_cell1.Z_PDB        96182
+_cell1.reciprocal_angle_alpha       0
+_cell1.reciprocal_angle_beta        0
+_cell1.reciprocal_angle_gamma       0
+_cell1.reciprocal_angle_alpha_esd       0
+_cell1.reciprocal_angle_beta_esd        0
+_cell1.reciprocal_angle_gamma_esd       0
+_cell1.reciprocal_length_a      0
+_cell1.reciprocal_length_b      0
+_cell1.reciprocal_length_c      0
+_cell1.reciprocal_length_a_esd      0
+_cell1.reciprocal_length_b_esd      0
+_cell1.reciprocal_length_c_esd      0
+_cell1.pdbx_unique_axis     9
+_cell_measurement.Structure_ID      117
+_cell_measurement.entry_id      117
+_cell_measurement.pressure      0
+_cell_measurement.pressure_esd      0
+_cell_measurement.radiation     0
+_cell_measurement.reflns_used       117
+_cell_measurement.temp      0
+_cell_measurement.temp_esd      0
+_cell_measurement.theta_max     0
+_cell_measurement.theta_min     0
+_cell_measurement.wavelength        0
+_cell_measurement_refln.Structure_ID        0
+_cell_measurement_refln.index_h     0
+_cell_measurement_refln.index_k     0
+_cell_measurement_refln.index_l     0
+_cell_measurement_refln.theta       0
+_chem_comp.Structure_ID     103315
+_chem_comp.formula      103315
+_chem_comp.formula_weight       103315
+_chem_comp.id       103315
+_chem_comp.model_details        0
+_chem_comp.model_erf        0
+_chem_comp.model_source     0
+_chem_comp.mon_nstd_class       0
+_chem_comp.mon_nstd_details     0
+_chem_comp.mon_nstd_flag        103232
+_chem_comp.mon_nstd_parent      0
+_chem_comp.mon_nstd_parent_comp_id      0
+_chem_comp.name     103315
+_chem_comp.number_atoms_all     0
+_chem_comp.number_atoms_nh      0
+_chem_comp.one_letter_code      0
+_chem_comp.three_letter_code        0
+_chem_comp.type     103315
+_chem_comp.pdbx_synonyms        31170
+_chem_comp.pdbx_modification_details        0
+_chem_comp.pdbx_component_no        0
+_chem_comp.pdbx_type        0
+_chem_comp.pdbx_ambiguous_flag      0
+_chem_comp.pdbx_replaced_by     0
+_chem_comp.pdbx_replaces        0
+_chem_comp.pdbx_formal_charge       0
+_chem_comp.pdbx_subcomponent_list       0
+_chem_comp.pdbx_model_coordinates_details       0
+_chem_comp.pdbx_model_coordinates_db_code       0
+_chem_comp.pdbx_ideal_coordinates_details       0
+_chem_comp.pdbx_ideal_coordinates_missing_flag      0
+_chem_comp.pdbx_model_coordinates_missing_flag      0
+_chem_comp.pdbx_initial_date        103315
+_chem_comp.pdbx_modified_date       103315
+_chem_comp.pdbx_release_status      0
+_chem_comp.pdbx_processing_site     0
+_chem_comp_angle.Structure_ID       0
+_chem_comp_angle.comp_id        0
+_chem_comp_angle.atom_id_1      0
+_chem_comp_angle.atom_id_2      0
+_chem_comp_angle.atom_id_3      0
+_chem_comp_angle.value_angle        0
+_chem_comp_angle.value_angle_esd        0
+_chem_comp_angle.value_dist     0
+_chem_comp_angle.value_dist_esd     0
+_chem_comp_atom.Structure_ID        0
+_chem_comp_atom.comp_id     0
+_chem_comp_atom.alt_atom_id     0
+_chem_comp_atom.atom_id     0
+_chem_comp_atom.charge      0
+_chem_comp_atom.model_Cartn_x       0
+_chem_comp_atom.model_Cartn_x_esd       0
+_chem_comp_atom.model_Cartn_y       0
+_chem_comp_atom.model_Cartn_y_esd       0
+_chem_comp_atom.model_Cartn_z       0
+_chem_comp_atom.model_Cartn_z_esd       0
+_chem_comp_atom.partial_charge      0
+_chem_comp_atom.substruct_code      0
+_chem_comp_atom.type_symbol     0
+_chem_comp_atom.pdbx_align      0
+_chem_comp_atom.pdbx_ordinal        0
+_chem_comp_atom.pdbx_component_atom_id      0
+_chem_comp_atom.pdbx_component_comp_id      0
+_chem_comp_atom.pdbx_alt_atom_id        0
+_chem_comp_atom.pdbx_alt_comp_id        0
+_chem_comp_atom.pdbx_model_Cartn_x_ideal        0
+_chem_comp_atom.pdbx_model_Cartn_y_ideal        0
+_chem_comp_atom.pdbx_model_Cartn_z_ideal        0
+_chem_comp_atom.pdbx_stereo_config      0
+_chem_comp_atom.pdbx_aromatic_flag      0
+_chem_comp_atom.pdbx_leaving_atom_flag      0
+_chem_comp_bond.Structure_ID        0
+_chem_comp_bond.comp_id     0
+_chem_comp_bond.atom_id_1       0
+_chem_comp_bond.atom_id_2       0
+_chem_comp_bond.value_order     0
+_chem_comp_bond.value_dist      0
+_chem_comp_bond.value_dist_esd      0
+_chem_comp_bond.pdbx_ordinal        0
+_chem_comp_bond.pdbx_stereo_config      0
+_chem_comp_bond.pdbx_aromatic_flag      0
+_chem_comp_chir.Structure_ID        0
+_chem_comp_chir.comp_id     0
+_chem_comp_chir.atom_id     0
+_chem_comp_chir.atom_config     0
+_chem_comp_chir.id      0
+_chem_comp_chir.number_atoms_all        0
+_chem_comp_chir.number_atoms_nh     0
+_chem_comp_chir.volume_flag     0
+_chem_comp_chir.volume_three        0
+_chem_comp_chir.volume_three_esd        0
+_chem_comp_chir_atom.Structure_ID       0
+_chem_comp_chir_atom.comp_id        0
+_chem_comp_chir_atom.atom_id        0
+_chem_comp_chir_atom.chir_id        0
+_chem_comp_chir_atom.dev        0
+_chem_comp_link.Structure_ID        0
+_chem_comp_link.type_comp_1     0
+_chem_comp_link.type_comp_2     0
+_chem_comp_link.link_id     0
+_chem_comp_link.details     0
+_chem_comp_plane.Structure_ID       0
+_chem_comp_plane.comp_id        0
+_chem_comp_plane.id     0
+_chem_comp_plane.number_atoms_all       0
+_chem_comp_plane.number_atoms_nh        0
+_chem_comp_plane_atom.Structure_ID      0
+_chem_comp_plane_atom.comp_id       0
+_chem_comp_plane_atom.atom_id       0
+_chem_comp_plane_atom.plane_id      0
+_chem_comp_plane_atom.dist_esd      0
+_chem_comp_tor.Structure_ID     0
+_chem_comp_tor.comp_id      0
+_chem_comp_tor.atom_id_1        0
+_chem_comp_tor.atom_id_2        0
+_chem_comp_tor.atom_id_3        0
+_chem_comp_tor.atom_id_4        0
+_chem_comp_tor.id       0
+_chem_comp_tor_value.Structure_ID       0
+_chem_comp_tor_value.comp_id        0
+_chem_comp_tor_value.tor_id     0
+_chem_comp_tor_value.angle      0
+_chem_comp_tor_value.angle_esd      0
+_chem_comp_tor_value.dist       0
+_chem_comp_tor_value.dist_esd       0
+_chem_link.Structure_ID     2
+_chem_link.id       2
+_chem_link.details      0
+_chem_link_angle.Structure_ID       0
+_chem_link_angle.link_id        0
+_chem_link_angle.atom_1_comp_id     0
+_chem_link_angle.atom_2_comp_id     0
+_chem_link_angle.atom_3_comp_id     0
+_chem_link_angle.atom_id_1      0
+_chem_link_angle.atom_id_2      0
+_chem_link_angle.atom_id_3      0
+_chem_link_angle.value_angle        0
+_chem_link_angle.value_angle_esd        0
+_chem_link_angle.value_dist     0
+_chem_link_angle.value_dist_esd     0
+_chem_link_bond.Structure_ID        0
+_chem_link_bond.link_id     0
+_chem_link_bond.atom_1_comp_id      0
+_chem_link_bond.atom_2_comp_id      0
+_chem_link_bond.atom_id_1       0
+_chem_link_bond.atom_id_2       0
+_chem_link_bond.value_dist      0
+_chem_link_bond.value_dist_esd      0
+_chem_link_bond.value_order     0
+_chem_link_chir.Structure_ID        0
+_chem_link_chir.link_id     0
+_chem_link_chir.atom_comp_id        0
+_chem_link_chir.atom_id     0
+_chem_link_chir.atom_config     0
+_chem_link_chir.id      0
+_chem_link_chir.number_atoms_all        0
+_chem_link_chir.number_atoms_nh     0
+_chem_link_chir.volume_flag     0
+_chem_link_chir.volume_three        0
+_chem_link_chir.volume_three_esd        0
+_chem_link_chir_atom.Structure_ID       0
+_chem_link_chir_atom.chir_id        0
+_chem_link_chir_atom.atom_comp_id       0
+_chem_link_chir_atom.atom_id        0
+_chem_link_chir_atom.dev        0
+_chem_link_plane.Structure_ID       0
+_chem_link_plane.link_id        0
+_chem_link_plane.id     0
+_chem_link_plane.number_atoms_all       0
+_chem_link_plane.number_atoms_nh        0
+_chem_link_plane_atom.Structure_ID      0
+_chem_link_plane_atom.plane_id      0
+_chem_link_plane_atom.atom_comp_id      0
+_chem_link_plane_atom.atom_id       0
+_chem_link_tor.Structure_ID     0
+_chem_link_tor.link_id      0
+_chem_link_tor.atom_1_comp_id       0
+_chem_link_tor.atom_2_comp_id       0
+_chem_link_tor.atom_3_comp_id       0
+_chem_link_tor.atom_4_comp_id       0
+_chem_link_tor.atom_id_1        0
+_chem_link_tor.atom_id_2        0
+_chem_link_tor.atom_id_3        0
+_chem_link_tor.atom_id_4        0
+_chem_link_tor.id       0
+_chem_link_tor_value.Structure_ID       0
+_chem_link_tor_value.tor_id     0
+_chem_link_tor_value.angle      0
+_chem_link_tor_value.angle_esd      0
+_chem_link_tor_value.dist       0
+_chem_link_tor_value.dist_esd       0
+_chemical.Structure_ID      0
+_chemical.entry_id      0
+_chemical.compound_source       0
+_chemical.melting_point     0
+_chemical.name_common       0
+_chemical.name_mineral      0
+_chemical.name_structure_type       0
+_chemical.name_systematic       0
+_chemical.absolute_configuration        0
+_chemical.melting_point_gt      0
+_chemical.melting_point_lt      0
+_chemical.optical_rotation      0
+_chemical.properties_biological     0
+_chemical.properties_physical       0
+_chemical.temperature_decomposition     0
+_chemical.temperature_decomposition_esd     0
+_chemical.temperature_decomposition_gt      0
+_chemical.temperature_decomposition_lt      0
+_chemical.temperature_sublimation       0
+_chemical.temperature_sublimation_esd       0
+_chemical.temperature_sublimation_gt        0
+_chemical.temperature_sublimation_lt        0
+_chemical_conn_atom.Structure_ID        0
+_chemical_conn_atom.type_symbol     0
+_chemical_conn_atom.charge      0
+_chemical_conn_atom.display_x       0
+_chemical_conn_atom.display_y       0
+_chemical_conn_atom.NCA     0
+_chemical_conn_atom.NH      0
+_chemical_conn_atom.number      0
+_chemical_conn_bond.Structure_ID        0
+_chemical_conn_bond.atom_1      0
+_chemical_conn_bond.atom_2      0
+_chemical_conn_bond.type        0
+_chemical_formula.Structure_ID      0
+_chemical_formula.analytical        0
+_chemical_formula.entry_id      0
+_chemical_formula.iupac     0
+_chemical_formula.moiety        0
+_chemical_formula.structural        0
+_chemical_formula.sum       0
+_chemical_formula.weight        0
+_chemical_formula.weight_meas       0
+_citation.Structure_ID      103158
+_citation.abstract      0
+_citation.abstract_id_CAS       0
+_citation.book_id_ISBN      0
+_citation.book_publisher        594
+_citation.book_publisher_city       0
+_citation.book_title        0
+_citation.coordinate_linkage        0
+_citation.country       84758
+_citation.database_id_Medline       0
+_citation.details       0
+_citation.id        103158
+_citation.journal_abbrev        103147
+_citation.journal_id_ASTM       74681
+_citation.journal_id_CSD        93241
+_citation.journal_id_ISSN       85155
+_citation.journal_full      0
+_citation.journal_issue     0
+_citation.journal_volume        83759
+_citation.language      0
+_citation.page_first        83744
+_citation.page_last     71920
+_citation.title     103137
+_citation.year      85519
+_citation.database_id_CSD       0
+_citation.pdbx_database_id_DOI      81483
+_citation.pdbx_database_id_PubMed       83015
+_citation.unpublished_flag      0
+_citation_author.Structure_ID       103155
+_citation_author.citation_id        103155
+_citation_author.name       103155
+_citation_author.ordinal        103155
+_citation_editor.Structure_ID       435
+_citation_editor.citation_id        435
+_citation_editor.name       435
+_citation_editor.ordinal        0
+_computing.Structure_ID     91655
+_computing.entry_id     91655
+_computing.cell_refinement      15
+_computing.data_collection      35943
+_computing.data_reduction       0
+_computing.molecular_graphics       0
+_computing.publication_material     0
+_computing.structure_refinement     91576
+_computing.structure_solution       81222
+_computing.pdbx_structure_refinement_method     247
+_computing.pdbx_data_reduction_ii       82578
+_computing.pdbx_data_reduction_ds       82605
+_database1.Structure_ID     36
+_database1.entry_id     36
+_database1.journal_ASTM     0
+_database1.journal_CSD      0
+_database1.CSD_history      0
+_database1.code_CAS     0
+_database1.code_CSD     35
+_database1.code_ICSD        0
+_database1.code_MDF     0
+_database1.code_NBS     0
+_database1.code_PDB     0
+_database1.code_PDF     0
+_database1.code_depnum_ccdc_fiz     0
+_database1.code_depnum_ccdc_journal     0
+_database1.code_depnum_ccdc_archive     0
+_database_2.Structure_ID        103315
+_database_2.database_id     103315
+_database_2.database_code       103315
+_database_PDB_caveat.Structure_ID       1392
+_database_PDB_caveat.id     1392
+_database_PDB_caveat.text       1388
+_database_PDB_matrix.Structure_ID       80605
+_database_PDB_matrix.entry_id       80605
+_database_PDB_matrix.origx_1_1      80601
+_database_PDB_matrix.origx_1_2      101
+_database_PDB_matrix.origx_1_3      86
+_database_PDB_matrix.origx_2_1      85
+_database_PDB_matrix.origx_2_2      80595
+_database_PDB_matrix.origx_2_3      34
+_database_PDB_matrix.origx_3_1      18
+_database_PDB_matrix.origx_3_2      11
+_database_PDB_matrix.origx_3_3      80597
+_database_PDB_matrix.origx_vector_1     13
+_database_PDB_matrix.origx_vector_2     11
+_database_PDB_matrix.origx_vector_3     13
+_database_PDB_matrix.scale_1_1      0
+_database_PDB_matrix.scale_1_2      0
+_database_PDB_matrix.scale_1_3      0
+_database_PDB_matrix.scale_2_1      0
+_database_PDB_matrix.scale_2_2      0
+_database_PDB_matrix.scale_2_3      0
+_database_PDB_matrix.scale_3_1      0
+_database_PDB_matrix.scale_3_2      0
+_database_PDB_matrix.scale_3_3      0
+_database_PDB_matrix.scale_vector_1     0
+_database_PDB_matrix.scale_vector_2     0
+_database_PDB_matrix.scale_vector_3     0
+_database_PDB_remark.Structure_ID       1608
+_database_PDB_remark.id     1591
+_database_PDB_remark.text       1607
+_database_PDB_rev.Structure_ID      103315
+_database_PDB_rev.author_name       0
+_database_PDB_rev.date      103315
+_database_PDB_rev.date_original     103315
+_database_PDB_rev.mod_type      85872
+_database_PDB_rev.num       103315
+_database_PDB_rev.replaced_by       0
+_database_PDB_rev.replaces      103314
+_database_PDB_rev.status        43
+_database_PDB_rev_record.Structure_ID       85836
+_database_PDB_rev_record.rev_num        85836
+_database_PDB_rev_record.details        352
+_database_PDB_rev_record.type       85836
+_database_PDB_tvect.Structure_ID        13
+_database_PDB_tvect.details     0
+_database_PDB_tvect.id      13
+_database_PDB_tvect.vector_1        1
+_database_PDB_tvect.vector_2        1
+_database_PDB_tvect.vector_2        1
+_diffrn.Structure_ID        94954
+_diffrn.ambient_environment     0
+_diffrn.ambient_temp        82873
+_diffrn.ambient_temp_details        113
+_diffrn.ambient_temp_esd        0
+_diffrn.crystal_id      94954
+_diffrn.crystal_support     1
+_diffrn.crystal_treatment       0
+_diffrn.details     3
+_diffrn.id      94954
+_diffrn.ambient_pressure        0
+_diffrn.ambient_pressure_esd        0
+_diffrn.ambient_pressure_gt     0
+_diffrn.ambient_pressure_lt     0
+_diffrn.ambient_temp_gt     0
+_diffrn.ambient_temp_lt     0
+_diffrn_attenuator.Structure_ID     0
+_diffrn_attenuator.code     0
+_diffrn_attenuator.scale        0
+_diffrn_attenuator.material     0
+_diffrn_detector.Structure_ID       86325
+_diffrn_detector.diffrn_id      86325
+_diffrn_detector.details        26687
+_diffrn_detector.detector       83790
+_diffrn_detector.type       82549
+_diffrn_detector.area_resol_mean        0
+_diffrn_detector.dtime      0
+_diffrn_detector.pdbx_frames_total      0
+_diffrn_detector.pdbx_collection_time_total     0
+_diffrn_detector.pdbx_collection_date       86325
+_diffrn_measurement.Structure_ID        103
+_diffrn_measurement.diffrn_id       103
+_diffrn_measurement.details     103
+_diffrn_measurement.device      0
+_diffrn_measurement.device_details      0
+_diffrn_measurement.device_type     0
+_diffrn_measurement.method      50
+_diffrn_measurement.specimen_support        0
+_diffrn_orient_matrix.Structure_ID      0
+_diffrn_orient_matrix.diffrn_id     0
+_diffrn_orient_matrix.type      0
+_diffrn_orient_matrix.UB_1_1        0
+_diffrn_orient_matrix.UB_1_2        0
+_diffrn_orient_matrix.UB_1_3        0
+_diffrn_orient_matrix.UB_2_1        0
+_diffrn_orient_matrix.UB_2_2        0
+_diffrn_orient_matrix.UB_2_3        0
+_diffrn_orient_matrix.UB_3_1        0
+_diffrn_orient_matrix.UB_3_2        0
+_diffrn_orient_matrix.UB_3_3        0
+_diffrn_orient_refln.Structure_ID       0
+_diffrn_orient_refln.diffrn_id      0
+_diffrn_orient_refln.angle_chi      0
+_diffrn_orient_refln.angle_kappa        0
+_diffrn_orient_refln.angle_omega        0
+_diffrn_orient_refln.angle_phi      0
+_diffrn_orient_refln.angle_psi      0
+_diffrn_orient_refln.angle_theta        0
+_diffrn_orient_refln.index_h        0
+_diffrn_orient_refln.index_k        0
+_diffrn_orient_refln.index_l        0
+_diffrn_radiation.Structure_ID      93944
+_diffrn_radiation.diffrn_id     93944
+_diffrn_radiation.collimation       0
+_diffrn_radiation.filter_edge       0
+_diffrn_radiation.inhomogeneity     0
+_diffrn_radiation.monochromator     46448
+_diffrn_radiation.polarisn_norm     0
+_diffrn_radiation.polarisn_ratio        0
+_diffrn_radiation.probe     0
+_diffrn_radiation.type      1
+_diffrn_radiation.xray_symbol       0
+_diffrn_radiation.wavelength_id     93944
+_diffrn_radiation.pdbx_monochromatic_or_laue_m_l        89163
+_diffrn_radiation.pdbx_wavelength_list      2
+_diffrn_radiation.pdbx_wavelength       0
+_diffrn_radiation.pdbx_diffrn_protocol      86462
+_diffrn_radiation.pdbx_analyzer     0
+_diffrn_radiation.pdbx_scattering_type      91056
+_diffrn_radiation_wavelength.Structure_ID       93945
+_diffrn_radiation_wavelength.id     93945
+_diffrn_radiation_wavelength.wavelength     84138
+_diffrn_radiation_wavelength.wt     93945
+_diffrn_refln.Structure_ID      0
+_diffrn_refln.diffrn_id     0
+_diffrn_refln.wavelength_id     0
+_diffrn_refln.angle_chi     0
+_diffrn_refln.angle_kappa       0
+_diffrn_refln.angle_omega       0
+_diffrn_refln.angle_phi     0
+_diffrn_refln.angle_psi     0
+_diffrn_refln.angle_theta       0
+_diffrn_refln.attenuator_code       0
+_diffrn_refln.counts_bg_1       0
+_diffrn_refln.counts_bg_2       0
+_diffrn_refln.counts_net        0
+_diffrn_refln.counts_peak       0
+_diffrn_refln.counts_total      0
+_diffrn_refln.detect_slit_horiz     0
+_diffrn_refln.detect_slit_vert      0
+_diffrn_refln.elapsed_time      0
+_diffrn_refln.id        0
+_diffrn_refln.index_h       0
+_diffrn_refln.index_k       0
+_diffrn_refln.index_l       0
+_diffrn_refln.intensity_net     0
+_diffrn_refln.intensity_sigma       0
+_diffrn_refln.scale_group_code      0
+_diffrn_refln.scan_mode     0
+_diffrn_refln.scan_mode_backgd      0
+_diffrn_refln.scan_rate     0
+_diffrn_refln.scan_time_backgd      0
+_diffrn_refln.scan_width        0
+_diffrn_refln.sint_over_lambda      0
+_diffrn_refln.standard_code     0
+_diffrn_refln.wavelength        0
+_diffrn_refln.class_code        0
+_diffrn_refln.intensity_u       0
+_diffrn_reflns.Structure_ID     1587
+_diffrn_reflns.diffrn_id        1587
+_diffrn_reflns.av_R_equivalents     117
+_diffrn_reflns.av_sigmaI_over_netI      15
+_diffrn_reflns.limit_h_max      2
+_diffrn_reflns.limit_h_min      0
+_diffrn_reflns.limit_k_max      2
+_diffrn_reflns.limit_k_min      2
+_diffrn_reflns.limit_l_max      2
+_diffrn_reflns.limit_l_min      0
+_diffrn_reflns.number       222
+_diffrn_reflns.reduction_process        0
+_diffrn_reflns.theta_max        0
+_diffrn_reflns.theta_min        0
+_diffrn_reflns.transf_matrix_1_1        0
+_diffrn_reflns.transf_matrix_1_2        0
+_diffrn_reflns.transf_matrix_1_3        0
+_diffrn_reflns.transf_matrix_2_1        0
+_diffrn_reflns.transf_matrix_2_2        0
+_diffrn_reflns.transf_matrix_2_3        0
+_diffrn_reflns.transf_matrix_3_1        0
+_diffrn_reflns.transf_matrix_3_2        0
+_diffrn_reflns.transf_matrix_3_3        0
+_diffrn_reflns.av_unetI_netI        0
+_diffrn_reflns.pdbx_d_res_low       718
+_diffrn_reflns.pdbx_d_res_high      838
+_diffrn_reflns.pdbx_percent_possible_obs        99
+_diffrn_reflns.pdbx_Rmerge_I_obs        1302
+_diffrn_reflns.pdbx_Rsym_value      225
+_diffrn_reflns.pdbx_chi_squared     1072
+_diffrn_reflns.pdbx_redundancy      1199
+_diffrn_reflns.pdbx_rejects     0
+_diffrn_reflns.pdbx_observed_criterion      0
+_diffrn_reflns.pdbx_number_obs      2
+_diffrn_scale_group.Structure_ID        0
+_diffrn_scale_group.code        0
+_diffrn_scale_group.I_net       0
+_diffrn_source.Structure_ID     86930
+_diffrn_source.diffrn_id        86930
+_diffrn_source.current      0
+_diffrn_source.details      0
+_diffrn_source.power        0
+_diffrn_source.size     0
+_diffrn_source.source       85214
+_diffrn_source.target       0
+_diffrn_source.type     84611
+_diffrn_source.voltage      0
+_diffrn_source.take_off_angle       0
+_diffrn_source.pdbx_wavelength_list     57966
+_diffrn_source.pdbx_wavelength      27976
+_diffrn_source.pdbx_synchrotron_beamline        67033
+_diffrn_source.pdbx_synchrotron_site        67278
+_diffrn_standard_refln.Structure_ID     0
+_diffrn_standard_refln.diffrn_id        0
+_diffrn_standard_refln.code     0
+_diffrn_standard_refln.index_h      0
+_diffrn_standard_refln.index_k      0
+_diffrn_standard_refln.index_l      0
+_diffrn_standards.Structure_ID      0
+_diffrn_standards.diffrn_id     0
+_diffrn_standards.decay__       0
+_diffrn_standards.interval_count        0
+_diffrn_standards.interval_time     0
+_diffrn_standards.number        0
+_diffrn_standards.scale_sigma       0
+_diffrn_standards.scale_u       0
+_entity.Structure_ID        103315
+_entity.details     7104
+_entity.formula_weight      103315
+_entity.id      103315
+_entity.src_method      103315
+_entity.type        103315
+_entity.pdbx_description        103203
+_entity.pdbx_number_of_molecules        103315
+_entity.pdbx_parent_entity_id       0
+_entity.pdbx_mutation       22769
+_entity.pdbx_fragment       38917
+_entity.pdbx_ec     48858
+_entity.pdbx_modification       0
+_entity.pdbx_formula_weight_exptl       0
+_entity.pdbx_formula_weight_exptl_method        0
+_entity.pdbx_target_id      0
+_entity_keywords.Structure_ID       78605
+_entity_keywords.entity_id      78605
+_entity_keywords.text       215
+_entity_keywords.pdbx_mutation      0
+_entity_keywords.pdbx_fragment      0
+_entity_keywords.pdbx_ec        0
+_entity_link.Structure_ID       2
+_entity_link.link_id        2
+_entity_link.entity_id_1        2
+_entity_link.entity_id_2        2
+_entity_link.details        0
+_entity_link.entity_seq_num_1       2
+_entity_link.entity_seq_num_2       2
+_entity_name_com.Structure_ID       58548
+_entity_name_com.entity_id      58548
+_entity_name_com.name       58541
+_entity_name_sys.Structure_ID       1806
+_entity_name_sys.entity_id      1806
+_entity_name_sys.name       1806
+_entity_name_sys.system     0
+_entity_poly.Structure_ID       103286
+_entity_poly.entity_id      103286
+_entity_poly.nstd_chirality     0
+_entity_poly.nstd_linkage       103286
+_entity_poly.nstd_monomer       103286
+_entity_poly.number_of_monomers     7993
+_entity_poly.type       103286
+_entity_poly.type_details       0
+_entity_poly.pdbx_strand_id     102025
+_entity_poly.pdbx_seq_one_letter_code       103286
+_entity_poly.pdbx_seq_one_letter_code_can       103286
+_entity_poly.pdbx_target_identifier     11183
+_entity_poly_seq.Structure_ID       103286
+_entity_poly_seq.mon_id     103286
+_entity_poly_seq.entity_id      103286
+_entity_poly_seq.hetero     100791
+_entity_poly_seq.num        103286
+_entity_src_gen.Structure_ID        86703
+_entity_src_gen.entity_id       86703
+_entity_src_gen.gene_src_common_name        41302
+_entity_src_gen.gene_src_details        1113
+_entity_src_gen.gene_src_genus      35517
+_entity_src_gen.gene_src_species        4894
+_entity_src_gen.gene_src_strain     23590
+_entity_src_gen.gene_src_tissue     844
+_entity_src_gen.gene_src_tissue_fraction        11
+_entity_src_gen.host_org_genus      31125
+_entity_src_gen.host_org_species        9207
+_entity_src_gen.pdbx_gene_src_fragment      30
+_entity_src_gen.pdbx_gene_src_gene      54165
+_entity_src_gen.pdbx_gene_src_scientific_name       86674
+_entity_src_gen.pdbx_gene_src_variant       342
+_entity_src_gen.pdbx_gene_src_cell_line     892
+_entity_src_gen.pdbx_gene_src_atcc      1814
+_entity_src_gen.pdbx_gene_src_organ     1482
+_entity_src_gen.pdbx_gene_src_organelle     193
+_entity_src_gen.pdbx_gene_src_plasmid       0
+_entity_src_gen.pdbx_gene_src_plasmid_name      0
+_entity_src_gen.pdbx_gene_src_cell      490
+_entity_src_gen.pdbx_gene_src_cellular_location     1011
+_entity_src_gen.pdbx_host_org_gene      1506
+_entity_src_gen.pdbx_host_org_organ     134
+_entity_src_gen.pdbx_host_org_organelle     12
+_entity_src_gen.pdbx_host_org_cellular_location     662
+_entity_src_gen.pdbx_host_org_strain        54252
+_entity_src_gen.pdbx_host_org_tissue_fraction       11
+_entity_src_gen.pdbx_description        3665
+_entity_src_gen.host_org_common_name        4225
+_entity_src_gen.host_org_details        0
+_entity_src_gen.host_org_strain     0
+_entity_src_gen.plasmid_details     209
+_entity_src_gen.plasmid_name        54973
+_entity_src_gen.pdbx_host_org_variant       2101
+_entity_src_gen.pdbx_host_org_cell_line     2794
+_entity_src_gen.pdbx_host_org_atcc      30
+_entity_src_gen.pdbx_host_org_culture_collection        13
+_entity_src_gen.pdbx_host_org_cell      370
+_entity_src_gen.pdbx_host_org_scientific_name       81886
+_entity_src_gen.pdbx_host_org_tissue        55
+_entity_src_gen.pdbx_host_org_vector        7176
+_entity_src_gen.pdbx_host_org_vector_type       55470
+_entity_src_gen.expression_system_id        0
+_entity_src_gen.gene_src_dev_stage      0
+_entity_src_gen.start_construct_id      0
+_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id      85106
+_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id      79546
+_entity_src_nat.Structure_ID        12833
+_entity_src_nat.entity_id       12833
+_entity_src_nat.common_name     7629
+_entity_src_nat.details     1704
+_entity_src_nat.genus       6095
+_entity_src_nat.species     422
+_entity_src_nat.strain      2789
+_entity_src_nat.tissue      1384
+_entity_src_nat.tissue_fraction     27
+_entity_src_nat.pdbx_organism_scientific        12824
+_entity_src_nat.pdbx_secretion      325
+_entity_src_nat.pdbx_fragment       3
+_entity_src_nat.pdbx_variant        151
+_entity_src_nat.pdbx_cell_line      183
+_entity_src_nat.pdbx_atcc       262
+_entity_src_nat.pdbx_cellular_location      421
+_entity_src_nat.pdbx_organ      1232
+_entity_src_nat.pdbx_organelle      128
+_entity_src_nat.pdbx_cell       277
+_entity_src_nat.pdbx_plasmid_name       50
+_entity_src_nat.pdbx_plasmid_details        0
+_entity_src_nat.pdbx_ncbi_taxonomy_id       11405
+_entry.Structure_ID     103315
+_entry.id       103315
+_entry.pdbx_DOI     0
+_entry.pdbx_pc      0
+_entry_link.Structure_ID        0
+_entry_link.entry_id        0
+_entry_link.id      0
+_entry_link.details     0
+_exptl.Structure_ID     103315
+_exptl.entry_id     103315
+_exptl.absorpt_coefficient_mu       0
+_exptl.absorpt_correction_T_max     0
+_exptl.absorpt_correction_T_min     0
+_exptl.absorpt_correction_type      0
+_exptl.absorpt_process_details      0
+_exptl.crystals_number      82750
+_exptl.details      555
+_exptl.method       103315
+_exptl.method_details       1
+_exptl_crystal.Structure_ID     95614
+_exptl_crystal.colour       0
+_exptl_crystal.density_diffrn       0
+_exptl_crystal.density_Matthews     88282
+_exptl_crystal.density_method       0
+_exptl_crystal.density_percent_sol      88346
+_exptl_crystal.description      10320
+_exptl_crystal.F_000        0
+_exptl_crystal.id       95614
+_exptl_crystal.preparation      3
+_exptl_crystal.size_max     0
+_exptl_crystal.size_mid     0
+_exptl_crystal.size_min     0
+_exptl_crystal.size_rad     0
+_exptl_crystal.colour_lustre        0
+_exptl_crystal.colour_modifier      0
+_exptl_crystal.colour_primary       0
+_exptl_crystal.density_meas     28
+_exptl_crystal.density_meas_esd     0
+_exptl_crystal.density_meas_gt      0
+_exptl_crystal.density_meas_lt      0
+_exptl_crystal.density_meas_temp        0
+_exptl_crystal.density_meas_temp_esd        0
+_exptl_crystal.density_meas_temp_gt     0
+_exptl_crystal.density_meas_temp_lt     0
+_exptl_crystal.pdbx_crystal_image_url       0
+_exptl_crystal.pdbx_crystal_image_format        0
+_exptl_crystal.pdbx_mosaicity       1002
+_exptl_crystal.pdbx_mosaicity_esd       1
+_exptl_crystal_face.Structure_ID        0
+_exptl_crystal_face.crystal_id      0
+_exptl_crystal_face.diffr_chi       0
+_exptl_crystal_face.diffr_kappa     0
+_exptl_crystal_face.diffr_phi       0
+_exptl_crystal_face.diffr_psi       0
+_exptl_crystal_face.index_h     0
+_exptl_crystal_face.index_k     0
+_exptl_crystal_face.index_l     0
+_exptl_crystal_face.perp_dist       0
+_exptl_crystal_grow.Structure_ID        84152
+_exptl_crystal_grow.crystal_id      84152
+_exptl_crystal_grow.apparatus       0
+_exptl_crystal_grow.atmosphere      0
+_exptl_crystal_grow.details     0
+_exptl_crystal_grow.method      63837
+_exptl_crystal_grow.method_ref      0
+_exptl_crystal_grow.pH      77955
+_exptl_crystal_grow.pressure        0
+_exptl_crystal_grow.pressure_esd        0
+_exptl_crystal_grow.seeding     0
+_exptl_crystal_grow.seeding_ref     0
+_exptl_crystal_grow.temp        64657
+_exptl_crystal_grow.temp_details        190
+_exptl_crystal_grow.temp_esd        0
+_exptl_crystal_grow.time        0
+_exptl_crystal_grow.pdbx_details        82995
+_exptl_crystal_grow.pdbx_pH_range       594
+_exptl_crystal_grow_comp.Structure_ID       2884
+_exptl_crystal_grow_comp.crystal_id     2884
+_exptl_crystal_grow_comp.conc       58
+_exptl_crystal_grow_comp.details        43
+_exptl_crystal_grow_comp.id     2884
+_exptl_crystal_grow_comp.name       2884
+_exptl_crystal_grow_comp.sol_id     2880
+_exptl_crystal_grow_comp.volume     44
+_geom.Structure_ID      0
+_geom.entry_id      0
+_geom.details       0
+_geom_angle.Structure_ID        0
+_geom_angle.atom_site_auth_asym_id_1        0
+_geom_angle.atom_site_auth_asym_id_2        0
+_geom_angle.atom_site_auth_asym_id_3        0
+_geom_angle.atom_site_auth_atom_id_1        0
+_geom_angle.atom_site_auth_atom_id_2        0
+_geom_angle.atom_site_auth_atom_id_3        0
+_geom_angle.atom_site_auth_comp_id_1        0
+_geom_angle.atom_site_auth_comp_id_2        0
+_geom_angle.atom_site_auth_comp_id_3        0
+_geom_angle.atom_site_auth_seq_id_1     0
+_geom_angle.atom_site_auth_seq_id_2     0
+_geom_angle.atom_site_auth_seq_id_3     0
+_geom_angle.atom_site_id_1      0
+_geom_angle.atom_site_id_2      0
+_geom_angle.atom_site_id_3      0
+_geom_angle.atom_site_label_alt_id_1        0
+_geom_angle.atom_site_label_alt_id_2        0
+_geom_angle.atom_site_label_alt_id_3        0
+_geom_angle.atom_site_label_comp_id_1       0
+_geom_angle.atom_site_label_comp_id_2       0
+_geom_angle.atom_site_label_comp_id_3       0
+_geom_angle.atom_site_label_atom_id_1       0
+_geom_angle.atom_site_label_atom_id_2       0
+_geom_angle.atom_site_label_atom_id_3       0
+_geom_angle.atom_site_label_seq_id_1        0
+_geom_angle.atom_site_label_seq_id_2        0
+_geom_angle.atom_site_label_seq_id_3        0
+_geom_angle.atom_site_label_asym_id_1       0
+_geom_angle.atom_site_label_asym_id_2       0
+_geom_angle.atom_site_label_asym_id_3       0
+_geom_angle.publ_flag       0
+_geom_angle.site_symmetry_1     0
+_geom_angle.site_symmetry_2     0
+_geom_angle.site_symmetry_3     0
+_geom_angle.value       0
+_geom_angle.value_esd       0
+_geom_angle.pdbx_atom_site_PDB_ins_code_1       0
+_geom_angle.pdbx_atom_site_PDB_ins_code_2       0
+_geom_angle.pdbx_atom_site_PDB_ins_code_3       0
+_geom_angle.pdbx_PDB_model_num      0
+_geom_bond.Structure_ID     0
+_geom_bond.atom_site_auth_asym_id_1     0
+_geom_bond.atom_site_auth_asym_id_2     0
+_geom_bond.atom_site_auth_atom_id_1     0
+_geom_bond.atom_site_auth_atom_id_2     0
+_geom_bond.atom_site_auth_comp_id_1     0
+_geom_bond.atom_site_auth_comp_id_2     0
+_geom_bond.atom_site_auth_seq_id_1      0
+_geom_bond.atom_site_auth_seq_id_2      0
+_geom_bond.atom_site_id_1       0
+_geom_bond.atom_site_id_2       0
+_geom_bond.atom_site_label_alt_id_1     0
+_geom_bond.atom_site_label_alt_id_2     0
+_geom_bond.atom_site_label_comp_id_1        0
+_geom_bond.atom_site_label_comp_id_2        0
+_geom_bond.atom_site_label_atom_id_1        0
+_geom_bond.atom_site_label_atom_id_2        0
+_geom_bond.atom_site_label_seq_id_1     0
+_geom_bond.atom_site_label_seq_id_2     0
+_geom_bond.atom_site_label_asym_id_1        0
+_geom_bond.atom_site_label_asym_id_2        0
+_geom_bond.dist     0
+_geom_bond.dist_esd     0
+_geom_bond.publ_flag        0
+_geom_bond.site_symmetry_1      0
+_geom_bond.site_symmetry_2      0
+_geom_bond.valence      0
+_geom_bond.pdbx_atom_site_PDB_ins_code_1        0
+_geom_bond.pdbx_atom_site_PDB_ins_code_2        0
+_geom_bond.pdbx_PDB_model_num       0
+_geom_contact.Structure_ID      0
+_geom_contact.atom_site_auth_asym_id_1      0
+_geom_contact.atom_site_auth_asym_id_2      0
+_geom_contact.atom_site_auth_atom_id_1      0
+_geom_contact.atom_site_auth_atom_id_2      0
+_geom_contact.atom_site_auth_comp_id_1      0
+_geom_contact.atom_site_auth_comp_id_2      0
+_geom_contact.atom_site_auth_seq_id_1       0
+_geom_contact.atom_site_auth_seq_id_2       0
+_geom_contact.atom_site_id_1        0
+_geom_contact.atom_site_id_2        0
+_geom_contact.atom_site_label_alt_id_1      0
+_geom_contact.atom_site_label_alt_id_2      0
+_geom_contact.atom_site_label_comp_id_1     0
+_geom_contact.atom_site_label_comp_id_2     0
+_geom_contact.atom_site_label_atom_id_1     0
+_geom_contact.atom_site_label_atom_id_2     0
+_geom_contact.atom_site_label_seq_id_1      0
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+_refine.diff_density_min_esd        0
+_refine.diff_density_rms        0
+_refine.diff_density_rms_esd        0
+_refine.pdbx_refine_id      89733
+_refine.ls_abs_structure_details        0
+_refine.ls_abs_structure_Flack      0
+_refine.ls_abs_structure_Flack_esd      0
+_refine.ls_abs_structure_Rogers     0
+_refine.ls_abs_structure_Rogers_esd     0
+_refine.ls_d_res_high       89691
+_refine.ls_d_res_low        87915
+_refine.ls_extinction_coef      0
+_refine.ls_extinction_coef_esd      0
+_refine.ls_extinction_expression        0
+_refine.ls_extinction_method        0
+_refine.ls_goodness_of_fit_all      0
+_refine.ls_goodness_of_fit_all_esd      0
+_refine.ls_goodness_of_fit_obs      0
+_refine.ls_goodness_of_fit_obs_esd      0
+_refine.ls_hydrogen_treatment       0
+_refine.ls_matrix_type      6
+_refine.ls_number_constraints       0
+_refine.ls_number_parameters        1883
+_refine.ls_number_reflns_all        40336
+_refine.ls_number_reflns_obs        86705
+_refine.ls_number_reflns_R_free     80635
+_refine.ls_number_reflns_R_work     774
+_refine.ls_number_restraints        1880
+_refine.ls_percent_reflns_obs       79242
+_refine.ls_percent_reflns_R_free        73543
+_refine.ls_R_factor_all     22300
+_refine.ls_R_factor_obs     78325
+_refine.ls_R_factor_R_free      83373
+_refine.ls_R_factor_R_free_error        13277
+_refine.ls_R_factor_R_free_error_details        5
+_refine.ls_R_factor_R_work      86055
+_refine.ls_R_Fsqd_factor_obs        0
+_refine.ls_R_I_factor_obs       0
+_refine.ls_redundancy_reflns_all        0
+_refine.ls_redundancy_reflns_obs        5
+_refine.ls_restrained_S_all     0
+_refine.ls_restrained_S_obs     0
+_refine.ls_shift_over_esd_max       0
+_refine.ls_shift_over_esd_mean      0
+_refine.ls_structure_factor_coef        0
+_refine.ls_weighting_details        0
+_refine.ls_weighting_scheme     0
+_refine.ls_wR_factor_all        0
+_refine.ls_wR_factor_obs        0
+_refine.ls_wR_factor_R_free     3358
+_refine.ls_wR_factor_R_work     3360
+_refine.occupancy_max       14101
+_refine.occupancy_min       12948
+_refine.overall_SU_B        36097
+_refine.overall_SU_ML       47989
+_refine.overall_SU_R_Cruickshank_DPI        4355
+_refine.overall_SU_R_free       2968
+_refine.overall_FOM_free_R_set      1
+_refine.overall_FOM_work_R_set      6422
+_refine.solvent_model_details       62442
+_refine.solvent_model_param_bsol        23548
+_refine.solvent_model_param_ksol        21943
+_refine.ls_R_factor_gt      0
+_refine.ls_goodness_of_fit_gt       0
+_refine.ls_goodness_of_fit_ref      0
+_refine.ls_shift_over_su_max        0
+_refine.ls_shift_over_su_max_lt     0
+_refine.ls_shift_over_su_mean       0
+_refine.ls_shift_over_su_mean_lt        0
+_refine.pdbx_ls_sigma_I     2804
+_refine.pdbx_ls_sigma_F     21155
+_refine.pdbx_ls_sigma_Fsqd      0
+_refine.pdbx_data_cutoff_high_absF      12643
+_refine.pdbx_data_cutoff_high_rms_absF      832
+_refine.pdbx_data_cutoff_low_absF       1647
+_refine.pdbx_isotropic_thermal_model        21234
+_refine.pdbx_ls_cross_valid_method      65225
+_refine.pdbx_method_to_determine_struct     80649
+_refine.pdbx_starting_model     51149
+_refine.pdbx_stereochemistry_target_values      70670
+_refine.pdbx_R_Free_selection_details       74096
+_refine.pdbx_stereochem_target_val_spec_case        59
+_refine.pdbx_overall_ESU_R      30075
+_refine.pdbx_overall_ESU_R_Free     37216
+_refine.pdbx_solvent_vdw_probe_radii        48968
+_refine.pdbx_solvent_ion_probe_radii        36645
+_refine.pdbx_solvent_shrinkage_radii        48867
+_refine.pdbx_real_space_R       0
+_refine.pdbx_density_correlation        0
+_refine.pdbx_pd_number_of_powder_patterns       0
+_refine.pdbx_pd_number_of_points        0
+_refine.pdbx_pd_meas_number_of_points       0
+_refine.pdbx_pd_proc_ls_prof_R_factor       0
+_refine.pdbx_pd_proc_ls_prof_wR_factor      0
+_refine.pdbx_pd_Marquardt_correlation_coeff     0
+_refine.pdbx_pd_Fsqrd_R_factor      0
+_refine.pdbx_pd_ls_matrix_band_width        0
+_refine.pdbx_overall_phase_error        10542
+_refine.pdbx_overall_SU_R_free_Cruickshank_DPI      517
+_refine.pdbx_overall_SU_R_free_Blow_DPI     629
+_refine.pdbx_overall_SU_R_Blow_DPI      526
+_refine.pdbx_TLS_residual_ADP_flag      7422
+_refine.pdbx_diffrn_id      89354
+_refine_analyze.Structure_ID        23306
+_refine_analyze.entry_id        23306
+_refine_analyze.pdbx_refine_id      23306
+_refine_analyze.Luzzati_coordinate_error_free       16267
+_refine_analyze.Luzzati_coordinate_error_obs        20342
+_refine_analyze.Luzzati_d_res_low_free      6
+_refine_analyze.Luzzati_d_res_low_obs       16153
+_refine_analyze.Luzzati_sigma_a_free        15382
+_refine_analyze.Luzzati_sigma_a_free_details        0
+_refine_analyze.Luzzati_sigma_a_obs     16165
+_refine_analyze.Luzzati_sigma_a_obs_details     0
+_refine_analyze.number_disordered_residues      1343
+_refine_analyze.occupancy_sum_hydrogen      983
+_refine_analyze.occupancy_sum_non_hydrogen      1734
+_refine_analyze.RG_d_res_high       0
+_refine_analyze.RG_d_res_low        0
+_refine_analyze.RG_free     0
+_refine_analyze.RG_work     0
+_refine_analyze.RG_free_work_ratio      0
+_refine_analyze.pdbx_Luzzati_d_res_high_obs     0
+_refine_B_iso.Structure_ID      413
+_refine_B_iso.pdbx_refine_id        413
+_refine_B_iso.class     413
+_refine_B_iso.details       275
+_refine_B_iso.treatment     405
+_refine_B_iso.value     0
+_refine_funct_minimized.Structure_ID        2
+_refine_funct_minimized.pdbx_refine_id      2
+_refine_funct_minimized.number_terms        0
+_refine_funct_minimized.residual        0
+_refine_funct_minimized.type        2
+_refine_funct_minimized.weight      0
+_refine_hist.Structure_ID       90181
+_refine_hist.pdbx_refine_id     90181
+_refine_hist.cycle_id       90181
+_refine_hist.details        0
+_refine_hist.d_res_high     89658
+_refine_hist.d_res_low      87882
+_refine_hist.number_atoms_solvent       82530
+_refine_hist.number_atoms_total     90167
+_refine_hist.number_reflns_all      0
+_refine_hist.number_reflns_obs      0
+_refine_hist.number_reflns_R_free       0
+_refine_hist.number_reflns_R_work       0
+_refine_hist.R_factor_all       0
+_refine_hist.R_factor_obs       0
+_refine_hist.R_factor_R_free        0
+_refine_hist.R_factor_R_work        0
+_refine_hist.pdbx_number_atoms_protein      88528
+_refine_hist.pdbx_number_atoms_nucleic_acid     6090
+_refine_hist.pdbx_number_atoms_ligand       71959
+_refine_hist.pdbx_number_atoms_lipid        0
+_refine_hist.pdbx_number_atoms_carb     0
+_refine_hist.pdbx_pseudo_atom_details       0
+_refine_ls_restr.Structure_ID       85657
+_refine_ls_restr.pdbx_refine_id     85657
+_refine_ls_restr.criterion      0
+_refine_ls_restr.dev_ideal      85632
+_refine_ls_restr.dev_ideal_target       48997
+_refine_ls_restr.number     51275
+_refine_ls_restr.rejects        0
+_refine_ls_restr.type       85657
+_refine_ls_restr.weight     2669
+_refine_ls_restr.pdbx_restraint_function        1791
+_refine_ls_restr_ncs.Structure_ID       7800
+_refine_ls_restr_ncs.pdbx_refine_id     7800
+_refine_ls_restr_ncs.dom_id     7800
+_refine_ls_restr_ncs.ncs_model_details      1772
+_refine_ls_restr_ncs.rms_dev_B_iso      144
+_refine_ls_restr_ncs.rms_dev_position       5989
+_refine_ls_restr_ncs.weight_B_iso       189
+_refine_ls_restr_ncs.weight_position        4977
+_refine_ls_restr_ncs.pdbx_ordinal       7800
+_refine_ls_restr_ncs.pdbx_type      5903
+_refine_ls_restr_ncs.pdbx_asym_id       0
+_refine_ls_restr_ncs.pdbx_auth_asym_id      5912
+_refine_ls_restr_ncs.pdbx_number        5868
+_refine_ls_restr_ncs.pdbx_rms       99
+_refine_ls_restr_ncs.pdbx_weight        90
+_refine_ls_restr_ncs.pdbx_ens_id        7800
+_refine_ls_restr_type.Structure_ID      0
+_refine_ls_restr_type.type      0
+_refine_ls_restr_type.distance_cutoff_high      0
+_refine_ls_restr_type.distance_cutoff_low       0
+_refine_ls_shell.Structure_ID       70601
+_refine_ls_shell.pdbx_refine_id     70601
+_refine_ls_shell.d_res_high     70601
+_refine_ls_shell.d_res_low      70348
+_refine_ls_shell.number_reflns_all      14021
+_refine_ls_shell.number_reflns_obs      12367
+_refine_ls_shell.number_reflns_R_free       68625
+_refine_ls_shell.number_reflns_R_work       66300
+_refine_ls_shell.percent_reflns_obs     62018
+_refine_ls_shell.percent_reflns_R_free      16516
+_refine_ls_shell.R_factor_all       2167
+_refine_ls_shell.R_factor_obs       0
+_refine_ls_shell.R_factor_R_free        69149
+_refine_ls_shell.R_factor_R_free_error      14295
+_refine_ls_shell.R_factor_R_work        69988
+_refine_ls_shell.redundancy_reflns_all      0
+_refine_ls_shell.redundancy_reflns_obs      3
+_refine_ls_shell.wR_factor_all      0
+_refine_ls_shell.wR_factor_obs      0
+_refine_ls_shell.wR_factor_R_free       0
+_refine_ls_shell.wR_factor_R_work       12
+_refine_ls_shell.pdbx_total_number_of_bins_used     58298
+_refine_ls_shell.pdbx_phase_error       0
+_refine_occupancy.Structure_ID      283
+_refine_occupancy.pdbx_refine_id        283
+_refine_occupancy.class     283
+_refine_occupancy.details       0
+_refine_occupancy.treatment     275
+_refine_occupancy.value     0
+_refln.Structure_ID     17
+_refln.wavelength_id        17
+_refln.crystal_id       17
+_refln.A_calc       0
+_refln.A_calc_au        0
+_refln.A_meas       0
+_refln.A_meas_au        0
+_refln.B_calc       0
+_refln.B_calc_au        0
+_refln.B_meas       0
+_refln.B_meas_au        0
+_refln.F_calc       5
+_refln.F_calc_au        0
+_refln.F_meas       0
+_refln.F_meas_au        17
+_refln.F_meas_sigma     0
+_refln.F_meas_sigma_au      17
+_refln.F_squared_calc       0
+_refln.F_squared_meas       0
+_refln.F_squared_sigma      0
+_refln.fom      5
+_refln.index_h      17
+_refln.index_k      17
+_refln.index_l      17
+_refln.intensity_calc       0
+_refln.intensity_meas       4
+_refln.intensity_sigma      4
+_refln.status       17
+_refln.phase_calc       5
+_refln.phase_meas       0
+_refln.refinement_status        0
+_refln.scale_group_code     17
+_refln.sint_over_lambda     0
+_refln.symmetry_epsilon     0
+_refln.symmetry_multiplicity        0
+_refln.wavelength       0
+_refln.class_code       0
+_refln.d_spacing        0
+_refln.include_status       0
+_refln.mean_path_length_tbar        0
+_refln.pdbx_F_calc_part_solvent     0
+_refln.pdbx_phase_calc_part_solvent     0
+_refln.pdbx_F_calc_with_solvent     0
+_refln.pdbx_phase_calc_with_solvent     0
+_refln.pdbx_anom_difference     3
+_refln.pdbx_anom_difference_sigma       3
+_refln.pdbx_I_plus      1
+_refln.pdbx_I_minus     1
+_refln.pdbx_F_plus      1
+_refln.pdbx_F_minus     1
+_refln.pdbx_I_plus_sigma        1
+_refln.pdbx_I_minus_sigma       1
+_refln.pdbx_F_minus_sigma       1
+_refln.pdbx_F_plus_sigma        1
+_refln.pdbx_HL_A_iso        0
+_refln.pdbx_HL_B_iso        0
+_refln.pdbx_HL_C_iso        0
+_refln.pdbx_HL_D_iso        0
+_refln.pdbx_fiber_layer     0
+_refln.pdbx_fiber_coordinate        0
+_refln.pdbx_fiber_F_meas_au     0
+_refln.pdbx_FWT     0
+_refln.pdbx_PHWT        0
+_refln.pdbx_DELFWT      0
+_refln.pdbx_DELPHWT     0
+_refln.pdbx_diffrn_id       0
+_refln_sys_abs.Structure_ID     9
+_refln_sys_abs.I        9
+_refln_sys_abs.I_over_sigmaI        9
+_refln_sys_abs.index_h      6
+_refln_sys_abs.index_k      7
+_refln_sys_abs.index_l      7
+_refln_sys_abs.sigmaI       9
+_reflns.Structure_ID        86109
+_reflns.entry_id        86109
+_reflns.B_iso_Wilson_estimate       38327
+_reflns.data_reduction_details      0
+_reflns.data_reduction_method       0
+_reflns.d_resolution_high       84985
+_reflns.d_resolution_low        84025
+_reflns.details     5
+_reflns.limit_h_max     307
+_reflns.limit_h_min     107
+_reflns.limit_k_max     308
+_reflns.limit_k_min     95
+_reflns.limit_l_max     307
+_reflns.limit_l_min     21
+_reflns.number_all      40706
+_reflns.number_obs      85065
+_reflns.observed_criterion      0
+_reflns.observed_criterion_F_max        268
+_reflns.observed_criterion_F_min        270
+_reflns.observed_criterion_I_max        0
+_reflns.observed_criterion_I_min        0
+_reflns.observed_criterion_sigma_F      12975
+_reflns.observed_criterion_sigma_I      36977
+_reflns.percent_possible_obs        81667
+_reflns.R_free_details      6
+_reflns.Rmerge_F_all        0
+_reflns.Rmerge_F_obs        31
+_reflns.Friedel_coverage        0
+_reflns.number_gt       0
+_reflns.threshold_expression        0
+_reflns.pdbx_redundancy     67725
+_reflns.pdbx_Rmerge_I_obs       60590
+_reflns.pdbx_Rmerge_I_all       0
+_reflns.pdbx_Rsym_value     25763
+_reflns.pdbx_netI_over_av_sigmaI        88
+_reflns.pdbx_netI_over_sigmaI       65375
+_reflns.pdbx_res_netI_over_av_sigmaI_2      0
+_reflns.pdbx_res_netI_over_sigmaI_2     0
+_reflns.pdbx_chi_squared        6654
+_reflns.pdbx_scaling_rejects        469
+_reflns.pdbx_d_res_high_opt     0
+_reflns.pdbx_d_res_low_opt      0
+_reflns.pdbx_d_res_opt_method       0
+_reflns.phase_calculation_details       0
+_reflns.pdbx_Rrim_I_all     60
+_reflns.pdbx_Rpim_I_all     40
+_reflns.pdbx_d_opt      0
+_reflns.pdbx_number_measured_all        110
+_reflns.pdbx_diffrn_id      86109
+_reflns.pdbx_ordinal        86109
+_reflns_scale.Structure_ID      28
+_reflns_scale.group_code        28
+_reflns_scale.meas_F        0
+_reflns_scale.meas_F_squared        0
+_reflns_scale.meas_intensity        0
+_reflns_shell.Structure_ID      75848
+_reflns_shell.d_res_high        75774
+_reflns_shell.d_res_low     74757
+_reflns_shell.meanI_over_sigI_all       14
+_reflns_shell.meanI_over_sigI_obs       54704
+_reflns_shell.number_measured_all       2680
+_reflns_shell.number_measured_obs       2381
+_reflns_shell.number_possible       163
+_reflns_shell.number_unique_all     30873
+_reflns_shell.number_unique_obs     2165
+_reflns_shell.percent_possible_all      73725
+_reflns_shell.percent_possible_obs      747
+_reflns_shell.Rmerge_F_all      0
+_reflns_shell.Rmerge_F_obs      162
+_reflns_shell.Rmerge_I_all      184
+_reflns_shell.Rmerge_I_obs      55564
+_reflns_shell.meanI_over_sigI_gt        0
+_reflns_shell.meanI_over_uI_all     0
+_reflns_shell.meanI_over_uI_gt      0
+_reflns_shell.number_measured_gt        0
+_reflns_shell.number_unique_gt      0
+_reflns_shell.percent_possible_gt       0
+_reflns_shell.Rmerge_F_gt       0
+_reflns_shell.Rmerge_I_gt       0
+_reflns_shell.pdbx_redundancy       55098
+_reflns_shell.pdbx_Rsym_value       22739
+_reflns_shell.pdbx_chi_squared      6600
+_reflns_shell.pdbx_netI_over_sigmaI_all     0
+_reflns_shell.pdbx_netI_over_sigmaI_obs     208
+_reflns_shell.pdbx_Rrim_I_all       335
+_reflns_shell.pdbx_Rpim_I_all       208
+_reflns_shell.pdbx_rejects      16
+_reflns_shell.pdbx_ordinal      75848
+_reflns_shell.pdbx_diffrn_id        75820
+_software.Structure_ID      90282
+_software.citation_id       0
+_software.classification        90282
+_software.compiler_name     0
+_software.compiler_version      0
+_software.contact_author        18288
+_software.contact_author_email      18286
+_software.date      18220
+_software.description       34
+_software.dependencies      0
+_software.hardware      0
+_software.language      18273
+_software.location      18063
+_software.mods      0
+_software.name      90282
+_software.os        0
+_software.os_version        0
+_software.type      18277
+_software.version       76708
+_software.pdbx_ordinal      90282
+_struct.Structure_ID        103315
+_struct.entry_id        103315
+_struct.title       103299
+_struct.pdbx_descriptor     103299
+_struct.pdbx_model_details      2967
+_struct.pdbx_formula_weight     0
+_struct.pdbx_formula_weight_method      0
+_struct.pdbx_model_type_details     736
+_struct.pdbx_CASP_flag      4069
+_struct_asym.Structure_ID       103315
+_struct_asym.entity_id      103315
+_struct_asym.details        0
+_struct_asym.id     103315
+_struct_asym.pdbx_modified      103315
+_struct_asym.pdbx_blank_PDB_chainid_flag        103315
+_struct_biol.Structure_ID       103250
+_struct_biol.details        12358
+_struct_biol.id     103250
+_struct_biol.pdbx_parent_biol_id        4
+_struct_biol.pdbx_formula_weight        0
+_struct_biol.pdbx_formula_weight_method     0
+_struct_biol.pdbx_aggregation_state     0
+_struct_biol.pdbx_assembly_method       0
+_struct_biol_gen.Structure_ID       2556
+_struct_biol_gen.asym_id        2556
+_struct_biol_gen.biol_id        2556
+_struct_biol_gen.details        0
+_struct_biol_gen.symmetry       2556
+_struct_biol_gen.pdbx_full_symmetry_operation       2556
+_struct_biol_gen.pdbx_PDB_order     2556
+_struct_biol_keywords.Structure_ID      3
+_struct_biol_keywords.biol_id       3
+_struct_biol_keywords.text      3
+_struct_biol_view.Structure_ID      0
+_struct_biol_view.biol_id       0
+_struct_biol_view.details       0
+_struct_biol_view.id        0
+_struct_biol_view.rot_matrix_1_1        0
+_struct_biol_view.rot_matrix_1_2        0
+_struct_biol_view.rot_matrix_1_3        0
+_struct_biol_view.rot_matrix_2_1        0
+_struct_biol_view.rot_matrix_2_2        0
+_struct_biol_view.rot_matrix_2_3        0
+_struct_biol_view.rot_matrix_3_1        0
+_struct_biol_view.rot_matrix_3_2        0
+_struct_biol_view.rot_matrix_3_3        0
+_struct_conf.Structure_ID       97406
+_struct_conf.beg_auth_asym_id       97103
+_struct_conf.end_auth_asym_id       97103
+_struct_conf.beg_auth_comp_id       97406
+_struct_conf.end_auth_comp_id       97406
+_struct_conf.beg_auth_seq_id        97406
+_struct_conf.end_auth_seq_id        97406
+_struct_conf.beg_label_comp_id      97406
+_struct_conf.end_label_comp_id      97406
+_struct_conf.beg_label_seq_id       97406
+_struct_conf.end_label_seq_id       97406
+_struct_conf.beg_label_asym_id      97406
+_struct_conf.end_label_asym_id      97406
+_struct_conf.conf_type_id       97406
+_struct_conf.details        1807
+_struct_conf.id     97406
+_struct_conf.pdbx_beg_PDB_ins_code      1044
+_struct_conf.pdbx_end_PDB_ins_code      967
+_struct_conf.pdbx_PDB_helix_class       97279
+_struct_conf.pdbx_PDB_helix_length      97279
+_struct_conf.pdbx_PDB_helix_id      97388
+_struct_conf_type.Structure_ID      97439
+_struct_conf_type.criteria      0
+_struct_conf_type.id        97439
+_struct_conf_type.reference     0
+_struct_conn.Structure_ID       67114
+_struct_conn.ptnr1_auth_asym_id     67038
+_struct_conn.ptnr2_auth_asym_id     66963
+_struct_conn.ptnr1_auth_atom_id     0
+_struct_conn.ptnr2_auth_atom_id     0
+_struct_conn.ptnr1_auth_comp_id     67114
+_struct_conn.ptnr2_auth_comp_id     67027
+_struct_conn.ptnr1_auth_seq_id      67114
+_struct_conn.ptnr2_auth_seq_id      67027
+_struct_conn.ptnr1_label_alt_id     0
+_struct_conn.ptnr2_label_alt_id     0
+_struct_conn.ptnr1_label_comp_id        67114
+_struct_conn.ptnr2_label_comp_id        67027
+_struct_conn.ptnr1_label_atom_id        67027
+_struct_conn.ptnr2_label_atom_id        67027
+_struct_conn.ptnr1_label_seq_id     56504
+_struct_conn.ptnr2_label_seq_id     53289
+_struct_conn.ptnr1_label_asym_id        67114
+_struct_conn.ptnr2_label_asym_id        67027
+_struct_conn.conn_type_id       67114
+_struct_conn.details        7212
+_struct_conn.id     67114
+_struct_conn.ptnr1_role     0
+_struct_conn.ptnr1_symmetry     67114
+_struct_conn.ptnr2_role     0
+_struct_conn.ptnr2_symmetry     67114
+_struct_conn.pdbx_ptnr1_PDB_ins_code        673
+_struct_conn.pdbx_ptnr1_auth_alt_id     0
+_struct_conn.pdbx_ptnr1_label_alt_id        3783
+_struct_conn.pdbx_ptnr1_standard_comp_id        202
+_struct_conn.pdbx_ptnr2_PDB_ins_code        695
+_struct_conn.pdbx_ptnr2_auth_alt_id     0
+_struct_conn.pdbx_ptnr2_label_alt_id        3668
+_struct_conn.pdbx_ptnr3_auth_alt_id     0
+_struct_conn.pdbx_ptnr3_auth_asym_id        0
+_struct_conn.pdbx_ptnr3_auth_atom_id        0
+_struct_conn.pdbx_ptnr3_auth_comp_id        0
+_struct_conn.pdbx_ptnr3_PDB_ins_code        0
+_struct_conn.pdbx_ptnr3_auth_seq_id     0
+_struct_conn.pdbx_ptnr3_label_alt_id        0
+_struct_conn.pdbx_ptnr3_label_asym_id       7
+_struct_conn.pdbx_ptnr3_label_atom_id       15
+_struct_conn.pdbx_ptnr3_label_comp_id       0
+_struct_conn.pdbx_ptnr3_label_seq_id        7
+_struct_conn.pdbx_PDB_id        216
+_struct_conn.pdbx_dist_value        63817
+_struct_conn.pdbx_value_order       174
+_struct_conn_type.Structure_ID      67376
+_struct_conn_type.criteria      7047
+_struct_conn_type.id        67376
+_struct_conn_type.reference     0
+_struct_keywords.Structure_ID       103315
+_struct_keywords.entry_id       103315
+_struct_keywords.text       103315
+_struct_keywords.pdbx_keywords      103169
+_struct_mon_details.Structure_ID        0
+_struct_mon_details.entry_id        0
+_struct_mon_details.prot_cis        0
+_struct_mon_details.RSCC        0
+_struct_mon_details.RSR     0
+_struct_mon_nucl.Structure_ID       0
+_struct_mon_nucl.auth_asym_id       0
+_struct_mon_nucl.auth_comp_id       0
+_struct_mon_nucl.auth_seq_id        0
+_struct_mon_nucl.label_alt_id       0
+_struct_mon_nucl.label_comp_id      0
+_struct_mon_nucl.label_seq_id       0
+_struct_mon_nucl.label_asym_id      0
+_struct_mon_nucl.alpha      0
+_struct_mon_nucl.beta       0
+_struct_mon_nucl.chi1       0
+_struct_mon_nucl.chi2       0
+_struct_mon_nucl.delta      0
+_struct_mon_nucl.details        0
+_struct_mon_nucl.epsilon        0
+_struct_mon_nucl.gamma      0
+_struct_mon_nucl.mean_B_all     0
+_struct_mon_nucl.mean_B_base        0
+_struct_mon_nucl.mean_B_phos        0
+_struct_mon_nucl.mean_B_sugar       0
+_struct_mon_nucl.nu0        0
+_struct_mon_nucl.nu1        0
+_struct_mon_nucl.nu2        0
+_struct_mon_nucl.nu3        0
+_struct_mon_nucl.nu4        0
+_struct_mon_nucl.P      0
+_struct_mon_nucl.RSCC_all       0
+_struct_mon_nucl.RSCC_base      0
+_struct_mon_nucl.RSCC_phos      0
+_struct_mon_nucl.RSCC_sugar     0
+_struct_mon_nucl.RSR_all        0
+_struct_mon_nucl.RSR_base       0
+_struct_mon_nucl.RSR_phos       0
+_struct_mon_nucl.RSR_sugar      0
+_struct_mon_nucl.tau0       0
+_struct_mon_nucl.tau1       0
+_struct_mon_nucl.tau2       0
+_struct_mon_nucl.tau3       0
+_struct_mon_nucl.tau4       0
+_struct_mon_nucl.taum       0
+_struct_mon_nucl.zeta       0
+_struct_mon_prot.Structure_ID       0
+_struct_mon_prot.auth_asym_id       0
+_struct_mon_prot.auth_comp_id       0
+_struct_mon_prot.auth_seq_id        0
+_struct_mon_prot.label_alt_id       0
+_struct_mon_prot.label_comp_id      0
+_struct_mon_prot.label_seq_id       0
+_struct_mon_prot.label_asym_id      0
+_struct_mon_prot.chi1       0
+_struct_mon_prot.chi2       0
+_struct_mon_prot.chi3       0
+_struct_mon_prot.chi4       0
+_struct_mon_prot.chi5       0
+_struct_mon_prot.details        0
+_struct_mon_prot.RSCC_all       0
+_struct_mon_prot.RSCC_main      0
+_struct_mon_prot.RSCC_side      0
+_struct_mon_prot.RSR_all        0
+_struct_mon_prot.RSR_main       0
+_struct_mon_prot.RSR_side       0
+_struct_mon_prot.mean_B_all     0
+_struct_mon_prot.mean_B_main        0
+_struct_mon_prot.mean_B_side        0
+_struct_mon_prot.omega      0
+_struct_mon_prot.phi        0
+_struct_mon_prot.psi        0
+_struct_mon_prot_cis.Structure_ID       46083
+_struct_mon_prot_cis.auth_asym_id       45958
+_struct_mon_prot_cis.auth_comp_id       46083
+_struct_mon_prot_cis.auth_seq_id        46083
+_struct_mon_prot_cis.label_alt_id       0
+_struct_mon_prot_cis.label_comp_id      46083
+_struct_mon_prot_cis.label_seq_id       46083
+_struct_mon_prot_cis.label_asym_id      46083
+_struct_mon_prot_cis.pdbx_auth_asym_id_2        45958
+_struct_mon_prot_cis.pdbx_auth_comp_id_2        46083
+_struct_mon_prot_cis.pdbx_auth_seq_id_2     46083
+_struct_mon_prot_cis.pdbx_label_asym_id_2       46083
+_struct_mon_prot_cis.pdbx_label_comp_id_2       46083
+_struct_mon_prot_cis.pdbx_label_seq_id_2        46083
+_struct_mon_prot_cis.pdbx_PDB_ins_code      390
+_struct_mon_prot_cis.pdbx_PDB_ins_code_2        214
+_struct_mon_prot_cis.pdbx_PDB_model_num     46079
+_struct_mon_prot_cis.pdbx_omega_angle       46083
+_struct_mon_prot_cis.pdbx_id        46083
+_struct_ncs_dom.Structure_ID        8050
+_struct_ncs_dom.details     5278
+_struct_ncs_dom.id      8050
+_struct_ncs_dom.pdbx_ens_id     8050
+_struct_ncs_dom_lim.Structure_ID        5719
+_struct_ncs_dom_lim.dom_id      5719
+_struct_ncs_dom_lim.beg_label_alt_id        3
+_struct_ncs_dom_lim.beg_label_asym_id       1732
+_struct_ncs_dom_lim.beg_label_comp_id       1558
+_struct_ncs_dom_lim.beg_label_seq_id        1734
+_struct_ncs_dom_lim.beg_auth_asym_id        5030
+_struct_ncs_dom_lim.beg_auth_comp_id        0
+_struct_ncs_dom_lim.beg_auth_seq_id     5034
+_struct_ncs_dom_lim.end_label_alt_id        3
+_struct_ncs_dom_lim.end_label_asym_id       1732
+_struct_ncs_dom_lim.end_label_comp_id       1558
+_struct_ncs_dom_lim.end_label_seq_id        1727
+_struct_ncs_dom_lim.end_auth_asym_id        5029
+_struct_ncs_dom_lim.end_auth_comp_id        0
+_struct_ncs_dom_lim.end_auth_seq_id     5034
+_struct_ncs_dom_lim.selection_details       1050
+_struct_ncs_dom_lim.pdbx_component_id       5339
+_struct_ncs_dom_lim.pdbx_refine_code        4211
+_struct_ncs_dom_lim.pdbx_ens_id     5719
+_struct_ncs_ens.Structure_ID        8097
+_struct_ncs_ens.details     22
+_struct_ncs_ens.id      8097
+_struct_ncs_ens.point_group     0
+_struct_ncs_ens_gen.Structure_ID        0
+_struct_ncs_ens_gen.dom_id_1        0
+_struct_ncs_ens_gen.dom_id_2        0
+_struct_ncs_ens_gen.ens_id      0
+_struct_ncs_ens_gen.oper_id     0
+_struct_ncs_oper.Structure_ID       5179
+_struct_ncs_oper.code       5179
+_struct_ncs_oper.details        0
+_struct_ncs_oper.id     5179
+_struct_ncs_oper.matrix_1_1     5162
+_struct_ncs_oper.matrix_1_2     5050
+_struct_ncs_oper.matrix_1_3     5029
+_struct_ncs_oper.matrix_2_1     5044
+_struct_ncs_oper.matrix_2_2     5159
+_struct_ncs_oper.matrix_2_3     5023
+_struct_ncs_oper.matrix_3_1     5033
+_struct_ncs_oper.matrix_3_2     5025
+_struct_ncs_oper.matrix_3_3     5151
+_struct_ncs_oper.vector_1       4915
+_struct_ncs_oper.vector_2       4907
+_struct_ncs_oper.vector_3       4912
+_struct_ref.Structure_ID        102510
+_struct_ref.entity_id       102509
+_struct_ref.biol_id     611
+_struct_ref.db_code     102508
+_struct_ref.db_name     102510
+_struct_ref.details     0
+_struct_ref.id      102510
+_struct_ref.seq_align       0
+_struct_ref.seq_dif     0
+_struct_ref.pdbx_db_accession       102043
+_struct_ref.pdbx_seq_one_letter_code        76500
+_struct_ref.pdbx_align_begin        80000
+_struct_ref_seq.Structure_ID        102506
+_struct_ref_seq.seq_align_beg       102505
+_struct_ref_seq.seq_align_end       102505
+_struct_ref_seq.ref_id      102506
+_struct_ref_seq.align_id        102506
+_struct_ref_seq.db_align_beg        102038
+_struct_ref_seq.db_align_end        102505
+_struct_ref_seq.details     0
+_struct_ref_seq.pdbx_strand_id      102458
+_struct_ref_seq.pdbx_db_accession       102503
+_struct_ref_seq.pdbx_db_align_beg_ins_code      12
+_struct_ref_seq.pdbx_db_align_end_ins_code      10
+_struct_ref_seq.pdbx_PDB_id_code        102506
+_struct_ref_seq.pdbx_auth_seq_align_beg     102505
+_struct_ref_seq.pdbx_auth_seq_align_end     102505
+_struct_ref_seq.pdbx_seq_align_beg_ins_code     461
+_struct_ref_seq.pdbx_seq_align_end_ins_code     224
+_struct_ref_seq_dif.Structure_ID        61202
+_struct_ref_seq_dif.db_mon_id       34721
+_struct_ref_seq_dif.mon_id      60967
+_struct_ref_seq_dif.seq_num     60970
+_struct_ref_seq_dif.align_id        61202
+_struct_ref_seq_dif.details     61194
+_struct_ref_seq_dif.pdbx_pdb_id_code        61202
+_struct_ref_seq_dif.pdbx_pdb_strand_id      61178
+_struct_ref_seq_dif.pdbx_pdb_ins_code       427
+_struct_ref_seq_dif.pdbx_auth_seq_num       60970
+_struct_ref_seq_dif.pdbx_seq_db_name        61172
+_struct_ref_seq_dif.pdbx_seq_db_accession_code      61186
+_struct_ref_seq_dif.pdbx_seq_db_seq_num     34713
+_struct_ref_seq_dif.pdbx_ordinal        61202
+_struct_sheet.Structure_ID      89252
+_struct_sheet.details       0
+_struct_sheet.id        89252
+_struct_sheet.number_strands        89252
+_struct_sheet.type      0
+_struct_sheet_hbond.Structure_ID        0
+_struct_sheet_hbond.range_1_beg_auth_atom_id        0
+_struct_sheet_hbond.range_1_end_auth_atom_id        0
+_struct_sheet_hbond.range_2_beg_auth_atom_id        0
+_struct_sheet_hbond.range_2_end_auth_atom_id        0
+_struct_sheet_hbond.range_1_beg_auth_seq_id     0
+_struct_sheet_hbond.range_1_end_auth_seq_id     0
+_struct_sheet_hbond.range_2_beg_auth_seq_id     0
+_struct_sheet_hbond.range_2_end_auth_seq_id     0
+_struct_sheet_hbond.range_1_beg_label_atom_id       0
+_struct_sheet_hbond.range_1_end_label_atom_id       0
+_struct_sheet_hbond.range_2_beg_label_atom_id       0
+_struct_sheet_hbond.range_2_end_label_atom_id       0
+_struct_sheet_hbond.range_1_beg_label_seq_id        0
+_struct_sheet_hbond.range_1_end_label_seq_id        0
+_struct_sheet_hbond.range_2_beg_label_seq_id        0
+_struct_sheet_hbond.range_2_end_label_seq_id        0
+_struct_sheet_hbond.sheet_id        0
+_struct_sheet_hbond.range_id_1      0
+_struct_sheet_hbond.range_id_2      0
+_struct_sheet_hbond.pdbx_range_1_beg_auth_comp_id       0
+_struct_sheet_hbond.pdbx_range_1_beg_auth_asym_id       0
+_struct_sheet_hbond.pdbx_range_1_end_auth_comp_id       0
+_struct_sheet_hbond.pdbx_range_1_end_auth_asym_id       0
+_struct_sheet_hbond.pdbx_range_1_beg_label_comp_id      0
+_struct_sheet_hbond.pdbx_range_1_beg_label_asym_id      0
+_struct_sheet_hbond.pdbx_range_1_beg_PDB_ins_code       0
+_struct_sheet_hbond.pdbx_range_1_end_label_comp_id      0
+_struct_sheet_hbond.pdbx_range_1_end_label_asym_id      0
+_struct_sheet_hbond.pdbx_range_1_end_PDB_ins_code       0
+_struct_sheet_hbond.pdbx_range_2_beg_label_comp_id      0
+_struct_sheet_hbond.pdbx_range_2_beg_label_asym_id      0
+_struct_sheet_hbond.pdbx_range_2_beg_PDB_ins_code       0
+_struct_sheet_hbond.pdbx_range_2_end_label_comp_id      0
+_struct_sheet_hbond.pdbx_range_2_end_label_asym_id      0
+_struct_sheet_hbond.pdbx_range_2_end_label_ins_code     0
+_struct_sheet_order.Structure_ID        89026
+_struct_sheet_order.sheet_id        89026
+_struct_sheet_order.offset      0
+_struct_sheet_order.range_id_1      89026
+_struct_sheet_order.range_id_2      89026
+_struct_sheet_order.sense       89026
+_struct_sheet_range.Structure_ID        89252
+_struct_sheet_range.beg_auth_asym_id        88982
+_struct_sheet_range.end_auth_asym_id        88982
+_struct_sheet_range.beg_auth_comp_id        89252
+_struct_sheet_range.end_auth_comp_id        89252
+_struct_sheet_range.beg_auth_seq_id     89252
+_struct_sheet_range.end_auth_seq_id     89252
+_struct_sheet_range.beg_label_comp_id       89252
+_struct_sheet_range.end_label_comp_id       89252
+_struct_sheet_range.beg_label_seq_id        89252
+_struct_sheet_range.end_label_seq_id        89252
+_struct_sheet_range.beg_label_asym_id       89252
+_struct_sheet_range.end_label_asym_id       89252
+_struct_sheet_range.sheet_id        89252
+_struct_sheet_range.id      89252
+_struct_sheet_range.symmetry        0
+_struct_sheet_range.pdbx_beg_PDB_ins_code       826
+_struct_sheet_range.pdbx_end_PDB_ins_code       758
+_struct_sheet_topology.Structure_ID     0
+_struct_sheet_topology.sheet_id     0
+_struct_sheet_topology.range_id_1       0
+_struct_sheet_topology.range_id_2       0
+_struct_sheet_topology.offset       0
+_struct_sheet_topology.sense        0
+_struct_site.Structure_ID       74849
+_struct_site.details        74608
+_struct_site.id     74849
+_struct_site.pdbx_num_residues      92
+_struct_site.pdbx_evidence_code     74523
+_struct_site_gen.Structure_ID       74807
+_struct_site_gen.auth_asym_id       74753
+_struct_site_gen.auth_atom_id       0
+_struct_site_gen.auth_comp_id       74807
+_struct_site_gen.auth_seq_id        74807
+_struct_site_gen.label_alt_id       0
+_struct_site_gen.label_comp_id      74807
+_struct_site_gen.label_atom_id      0
+_struct_site_gen.label_seq_id       74573
+_struct_site_gen.label_asym_id      74807
+_struct_site_gen.site_id        74807
+_struct_site_gen.details        0
+_struct_site_gen.id     74807
+_struct_site_gen.symmetry       74807
+_struct_site_gen.pdbx_auth_ins_code     1165
+_struct_site_gen.pdbx_num_res       74807
+_struct_site_keywords.Structure_ID      428
+_struct_site_keywords.site_id       428
+_struct_site_keywords.text      428
+_struct_site_view.Structure_ID      0
+_struct_site_view.site_id       0
+_struct_site_view.details       0
+_struct_site_view.id        0
+_struct_site_view.rot_matrix_1_1        0
+_struct_site_view.rot_matrix_1_2        0
+_struct_site_view.rot_matrix_1_3        0
+_struct_site_view.rot_matrix_2_1        0
+_struct_site_view.rot_matrix_2_2        0
+_struct_site_view.rot_matrix_2_3        0
+_struct_site_view.rot_matrix_3_1        0
+_struct_site_view.rot_matrix_3_2        0
+_struct_site_view.rot_matrix_3_3        0
+_symmetry.Structure_ID      96031
+_symmetry.entry_id      96031
+_symmetry.cell_setting      1978
+_symmetry.Int_Tables_number     9492
+_symmetry.space_group_name_Hall     1
+_symmetry.space_group_name_H_M      96031
+_symmetry.pdbx_full_space_group_name_H_M        0
+_symmetry_equiv.Structure_ID        52
+_symmetry_equiv.id      52
+_symmetry_equiv.pos_as_xyz      52
+_audit_link.Structure_ID        0
+_audit_link.block_code      0
+_audit_link.block_description       0
+_diffrn_reflns_class.Structure_ID       0
+_diffrn_reflns_class.av_R_eq        0
+_diffrn_reflns_class.av_sgI_I       0
+_diffrn_reflns_class.av_uI_I        0
+_diffrn_reflns_class.code       0
+_diffrn_reflns_class.description        0
+_diffrn_reflns_class.d_res_high     0
+_diffrn_reflns_class.d_res_low      0
+_diffrn_reflns_class.number     0
+_refine_ls_class.Structure_ID       0
+_refine_ls_class.code       0
+_refine_ls_class.d_res_high     0
+_refine_ls_class.d_res_low      0
+_refine_ls_class.R_factor_gt        0
+_refine_ls_class.R_factor_all       0
+_refine_ls_class.R_Fsqd_factor      0
+_refine_ls_class.R_I_factor     0
+_refine_ls_class.wR_factor_all      0
+_reflns_class.Structure_ID      0
+_reflns_class.code      0
+_reflns_class.description       0
+_reflns_class.d_res_high        0
+_reflns_class.d_res_low     0
+_reflns_class.number_gt     0
+_reflns_class.number_total      0
+_reflns_class.R_factor_all      0
+_reflns_class.R_factor_gt       0
+_reflns_class.R_Fsqd_factor     0
+_reflns_class.R_I_factor        0
+_reflns_class.wR_factor_all     0
+_space_group.Structure_ID       1
+_space_group.crystal_system     1
+_space_group.id     1
+_space_group.IT_number      1
+_space_group.name_Hall      1
+_space_group.name_H_M_alt       1
+_space_group_symop.Structure_ID     1
+_space_group_symop.id       1
+_space_group_symop.operation_xyz        1
+_space_group_symop.sg_id        0
+_valence_param.Structure_ID     0
+_valence_param.atom_1       0
+_valence_param.atom_1_valence       0
+_valence_param.atom_2       0
+_valence_param.atom_2_valence       0
+_valence_param.B        0
+_valence_param.details      0
+_valence_param.id       0
+_valence_param.ref_id       0
+_valence_param.Ro       0
+_valence_ref.Structure_ID       0
+_valence_ref.id     0
+_valence_ref.reference      0
+_pdbx_audit.Structure_ID        16
+_pdbx_audit.entry_id        16
+_pdbx_audit.current_version     16
+_pdbx_version.Structure_ID      100284
+_pdbx_version.entry_id      100284
+_pdbx_version.revision_date     100284
+_pdbx_version.major_version     100284
+_pdbx_version.minor_version     100284
+_pdbx_version.details       100283
+_pdbx_version.revision_type     100284
+_pdbx_audit_author.Structure_ID     0
+_pdbx_audit_author.address      0
+_pdbx_audit_author.name     0
+_pdbx_audit_author.ordinal      0
+_pdbx_database_message.Structure_ID     0
+_pdbx_database_message.entry_id     0
+_pdbx_database_message.message_id       0
+_pdbx_database_message.date     0
+_pdbx_database_message.content_type     0
+_pdbx_database_message.message_type     0
+_pdbx_database_message.sender       0
+_pdbx_database_message.sender_address_fax       0
+_pdbx_database_message.sender_address_phone     0
+_pdbx_database_message.sender_address_email     0
+_pdbx_database_message.sender_address_mail      0
+_pdbx_database_message.receiver     0
+_pdbx_database_message.receiver_address_fax     0
+_pdbx_database_message.receiver_address_phone       0
+_pdbx_database_message.receiver_address_email       0
+_pdbx_database_message.receiver_address_mail        0
+_pdbx_database_message.message      0
+_pdbx_database_PDB_obs_spr.Structure_ID     4075
+_pdbx_database_PDB_obs_spr.id       4075
+_pdbx_database_PDB_obs_spr.date     4075
+_pdbx_database_PDB_obs_spr.pdb_id       4075
+_pdbx_database_PDB_obs_spr.replace_pdb_id       4075
+_pdbx_database_PDB_obs_spr.details      57
+_pdbx_database_proc.Structure_ID        0
+_pdbx_database_proc.entry_id        0
+_pdbx_database_proc.cycle_id        0
+_pdbx_database_proc.date_begin_cycle        0
+_pdbx_database_proc.date_end_cycle      0
+_pdbx_database_proc.details     0
+_pdbx_database_remark.Structure_ID      8953
+_pdbx_database_remark.id        8899
+_pdbx_database_remark.text      8950
+_pdbx_database_status.Structure_ID      102828
+_pdbx_database_status.status_code       102828
+_pdbx_database_status.author_release_status_code        1367
+_pdbx_database_status.status_code_sf        60034
+_pdbx_database_status.status_code_mr        7042
+_pdbx_database_status.dep_release_code_coordinates      2598
+_pdbx_database_status.dep_release_code_sequence     2241
+_pdbx_database_status.dep_release_code_struct_fact      1484
+_pdbx_database_status.dep_release_code_nmr_constraints      238
+_pdbx_database_status.entry_id      102828
+_pdbx_database_status.recvd_deposit_form        1368
+_pdbx_database_status.date_deposition_form      102828
+_pdbx_database_status.recvd_coordinates     1368
+_pdbx_database_status.date_coordinates      102828
+_pdbx_database_status.recvd_struct_fact     1365
+_pdbx_database_status.date_struct_fact      102828
+_pdbx_database_status.recvd_nmr_constraints     1089
+_pdbx_database_status.date_nmr_constraints      102828
+_pdbx_database_status.recvd_internal_approval       6
+_pdbx_database_status.recvd_manuscript      1368
+_pdbx_database_status.date_manuscript       102828
+_pdbx_database_status.name_depositor        16
+_pdbx_database_status.recvd_author_approval     1228
+_pdbx_database_status.author_approval_type      1213
+_pdbx_database_status.date_author_approval      102828
+_pdbx_database_status.recvd_initial_deposition_date     102828
+_pdbx_database_status.date_submitted        102828
+_pdbx_database_status.rcsb_annotator        1368
+_pdbx_database_status.date_of_sf_release        102828
+_pdbx_database_status.date_of_mr_release        102828
+_pdbx_database_status.date_of_PDB_release       102828
+_pdbx_database_status.date_hold_coordinates     102828
+_pdbx_database_status.date_hold_struct_fact     102828
+_pdbx_database_status.date_hold_nmr_constraints     102828
+_pdbx_database_status.hold_for_publication      1339
+_pdbx_database_status.SG_entry      14773
+_pdbx_database_status.pdb_date_of_author_approval       102828
+_pdbx_database_status.deposit_site      93710
+_pdbx_database_status.process_site      93980
+_pdbx_database_status.dep_release_code_chemical_shifts      0
+_pdbx_database_status.recvd_chemical_shifts     0
+_pdbx_database_status.date_chemical_shifts      102828
+_pdbx_database_status.date_hold_chemical_shifts     102828
+_pdbx_database_status.status_code_cs        1440
+_pdbx_database_status.date_of_cs_release        102828
+_pdbx_database_status.methods_development_category      40
+_pdbx_entity_name.Structure_ID      1181
+_pdbx_entity_name.entity_id     1181
+_pdbx_entity_name.name      1181
+_pdbx_entity_name.name_type     1181
+_pdbx_prerelease_seq.Structure_ID       29610
+_pdbx_prerelease_seq.entity_id      29610
+_pdbx_prerelease_seq.seq_one_letter_code        29610
+_pdbx_poly_seq_scheme.Structure_ID      103286
+_pdbx_poly_seq_scheme.asym_id       103286
+_pdbx_poly_seq_scheme.entity_id     103286
+_pdbx_poly_seq_scheme.seq_id        103286
+_pdbx_poly_seq_scheme.hetero        100749
+_pdbx_poly_seq_scheme.mon_id        103286
+_pdbx_poly_seq_scheme.pdb_strand_id     102943
+_pdbx_poly_seq_scheme.ndb_seq_num       103286
+_pdbx_poly_seq_scheme.pdb_seq_num       103286
+_pdbx_poly_seq_scheme.auth_seq_num      103286
+_pdbx_poly_seq_scheme.pdb_mon_id        103286
+_pdbx_poly_seq_scheme.auth_mon_id       103272
+_pdbx_poly_seq_scheme.pdb_ins_code      4008
+_pdbx_nonpoly_scheme.Structure_ID       90063
+_pdbx_nonpoly_scheme.asym_id        90063
+_pdbx_nonpoly_scheme.entity_id      90063
+_pdbx_nonpoly_scheme.mon_id     90063
+_pdbx_nonpoly_scheme.pdb_strand_id      89359
+_pdbx_nonpoly_scheme.ndb_seq_num        90063
+_pdbx_nonpoly_scheme.pdb_seq_num        90063
+_pdbx_nonpoly_scheme.auth_seq_num       90063
+_pdbx_nonpoly_scheme.pdb_mon_id     90063
+_pdbx_nonpoly_scheme.auth_mon_id        90046
+_pdbx_nonpoly_scheme.pdb_ins_code       154
+_pdbx_refine.Structure_ID       6144
+_pdbx_refine.entry_id       6144
+_pdbx_refine.pdbx_refine_id     6144
+_pdbx_refine.R_factor_all_no_cutoff     2101
+_pdbx_refine.R_factor_obs_no_cutoff     2415
+_pdbx_refine.free_R_factor_4sig_cutoff      1460
+_pdbx_refine.free_R_factor_no_cutoff        2004
+_pdbx_refine.free_R_error_no_cutoff     167
+_pdbx_refine.free_R_val_test_set_size_perc_no_cutoff        1827
+_pdbx_refine.free_R_val_test_set_ct_no_cutoff       1834
+_pdbx_refine.number_reflns_obs_no_cutoff        61
+_pdbx_refine.R_factor_all_4sig_cutoff       1612
+_pdbx_refine.R_factor_obs_4sig_cutoff       1455
+_pdbx_refine.free_R_val_4sig_cutoff     0
+_pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff      1343
+_pdbx_refine.free_R_val_test_set_ct_4sig_cutoff     1395
+_pdbx_refine.number_reflns_obs_4sig_cutoff      1946
+_pdbx_struct_sheet_hbond.Structure_ID       87739
+_pdbx_struct_sheet_hbond.range_id_1     87739
+_pdbx_struct_sheet_hbond.range_id_2     87739
+_pdbx_struct_sheet_hbond.sheet_id       87739
+_pdbx_struct_sheet_hbond.range_1_label_atom_id      87739
+_pdbx_struct_sheet_hbond.range_1_label_seq_id       87739
+_pdbx_struct_sheet_hbond.range_1_label_comp_id      87739
+_pdbx_struct_sheet_hbond.range_1_label_asym_id      87739
+_pdbx_struct_sheet_hbond.range_1_auth_atom_id       87739
+_pdbx_struct_sheet_hbond.range_1_auth_seq_id        87739
+_pdbx_struct_sheet_hbond.range_1_auth_comp_id       87739
+_pdbx_struct_sheet_hbond.range_1_auth_asym_id       87519
+_pdbx_struct_sheet_hbond.range_1_PDB_ins_code       556
+_pdbx_struct_sheet_hbond.range_2_label_atom_id      87739
+_pdbx_struct_sheet_hbond.range_2_label_seq_id       87739
+_pdbx_struct_sheet_hbond.range_2_label_comp_id      87739
+_pdbx_struct_sheet_hbond.range_2_label_asym_id      87739
+_pdbx_struct_sheet_hbond.range_2_auth_atom_id       87739
+_pdbx_struct_sheet_hbond.range_2_auth_seq_id        87739
+_pdbx_struct_sheet_hbond.range_2_auth_comp_id       87739
+_pdbx_struct_sheet_hbond.range_2_auth_asym_id       87519
+_pdbx_struct_sheet_hbond.range_2_PDB_ins_code       573
+_pdbx_xplor_file.Structure_ID       16391
+_pdbx_xplor_file.serial_no      16391
+_pdbx_xplor_file.pdbx_refine_id     16391
+_pdbx_xplor_file.param_file     16300
+_pdbx_xplor_file.topol_file     14339
+_pdbx_refine_aux_file.Structure_ID      0
+_pdbx_refine_aux_file.serial_no     0
+_pdbx_refine_aux_file.pdbx_refine_id        0
+_pdbx_refine_aux_file.file_name     0
+_pdbx_refine_aux_file.file_type     0
+_pdbx_database_related.Structure_ID     72688
+_pdbx_database_related.db_name      72688
+_pdbx_database_related.details      42398
+_pdbx_database_related.db_id        72688
+_pdbx_database_related.content_type     72688
+_pdbx_entity_assembly.Structure_ID      0
+_pdbx_entity_assembly.id        0
+_pdbx_entity_assembly.entity_id     0
+_pdbx_entity_assembly.biol_id       0
+_pdbx_entity_assembly.num_copies        0
+_pdbx_entity_src_syn.Structure_ID       8240
+_pdbx_entity_src_syn.details        6393
+_pdbx_entity_src_syn.organism_scientific        2793
+_pdbx_entity_src_syn.organism_common_name       1626
+_pdbx_entity_src_syn.strain     0
+_pdbx_entity_src_syn.ncbi_taxonomy_id       2827
+_pdbx_entity_src_syn.entity_id      8240
+_pdbx_exptl_crystal_grow_comp.Structure_ID      0
+_pdbx_exptl_crystal_grow_comp.crystal_id        0
+_pdbx_exptl_crystal_grow_comp.comp_id       0
+_pdbx_exptl_crystal_grow_comp.comp_name     0
+_pdbx_exptl_crystal_grow_comp.sol_id        0
+_pdbx_exptl_crystal_grow_comp.conc      0
+_pdbx_exptl_crystal_grow_comp.conc_range        0
+_pdbx_exptl_crystal_grow_comp.conc_units        0
+_pdbx_exptl_crystal_grow_sol.Structure_ID       0
+_pdbx_exptl_crystal_grow_sol.crystal_id     0
+_pdbx_exptl_crystal_grow_sol.sol_id     0
+_pdbx_exptl_crystal_grow_sol.volume     0
+_pdbx_exptl_crystal_grow_sol.volume_units       0
+_pdbx_exptl_crystal_grow_sol.pH     0
+_pdbx_exptl_crystal_cryo_treatment.Structure_ID     3
+_pdbx_exptl_crystal_cryo_treatment.crystal_id       3
+_pdbx_exptl_crystal_cryo_treatment.final_solution_details       3
+_pdbx_exptl_crystal_cryo_treatment.soaking_details      3
+_pdbx_exptl_crystal_cryo_treatment.cooling_details      3
+_pdbx_exptl_crystal_cryo_treatment.annealing_details        0
+_pdbx_refine_tls.Structure_ID       23747
+_pdbx_refine_tls.id     23747
+_pdbx_refine_tls.pdbx_refine_id     23670
+_pdbx_refine_tls.details        18
+_pdbx_refine_tls.method     23742
+_pdbx_refine_tls.origin_x       23722
+_pdbx_refine_tls.origin_y       23722
+_pdbx_refine_tls.origin_z       23720
+_pdbx_refine_tls.T_1_1      23692
+_pdbx_refine_tls.T_1_1_esd      0
+_pdbx_refine_tls.T_1_2      23671
+_pdbx_refine_tls.T_1_2_esd      0
+_pdbx_refine_tls.T_1_3      23678
+_pdbx_refine_tls.T_1_3_esd      0
+_pdbx_refine_tls.T_2_2      23692
+_pdbx_refine_tls.T_2_2_esd      0
+_pdbx_refine_tls.T_2_3      23671
+_pdbx_refine_tls.T_2_3_esd      0
+_pdbx_refine_tls.T_3_3      23689
+_pdbx_refine_tls.T_3_3_esd      0
+_pdbx_refine_tls.L_1_1      23692
+_pdbx_refine_tls.L_1_1_esd      0
+_pdbx_refine_tls.L_1_2      23692
+_pdbx_refine_tls.L_1_2_esd      0
+_pdbx_refine_tls.L_1_3      23694
+_pdbx_refine_tls.L_1_3_esd      0
+_pdbx_refine_tls.L_2_2      23694
+_pdbx_refine_tls.L_2_2_esd      0
+_pdbx_refine_tls.L_2_3      23696
+_pdbx_refine_tls.L_2_3_esd      0
+_pdbx_refine_tls.L_3_3      23693
+_pdbx_refine_tls.L_3_3_esd      0
+_pdbx_refine_tls.S_1_1      23681
+_pdbx_refine_tls.S_1_1_esd      0
+_pdbx_refine_tls.S_1_2      23688
+_pdbx_refine_tls.S_1_2_esd      0
+_pdbx_refine_tls.S_1_3      23684
+_pdbx_refine_tls.S_1_3_esd      0
+_pdbx_refine_tls.S_2_1      23687
+_pdbx_refine_tls.S_2_1_esd      0
+_pdbx_refine_tls.S_2_2      23686
+_pdbx_refine_tls.S_2_2_esd      0
+_pdbx_refine_tls.S_2_3      23686
+_pdbx_refine_tls.S_2_3_esd      0
+_pdbx_refine_tls.S_3_1      23686
+_pdbx_refine_tls.S_3_1_esd      0
+_pdbx_refine_tls.S_3_2      23684
+_pdbx_refine_tls.S_3_2_esd      0
+_pdbx_refine_tls.S_3_3      23368
+_pdbx_refine_tls.S_3_3_esd      0
+_pdbx_refine_tls_group.Structure_ID     23708
+_pdbx_refine_tls_group.id       23708
+_pdbx_refine_tls_group.pdbx_refine_id       23631
+_pdbx_refine_tls_group.refine_tls_id        23708
+_pdbx_refine_tls_group.beg_label_asym_id        4330
+_pdbx_refine_tls_group.beg_label_seq_id     4323
+_pdbx_refine_tls_group.beg_auth_asym_id     18954
+_pdbx_refine_tls_group.beg_auth_seq_id      18974
+_pdbx_refine_tls_group.end_label_asym_id        4331
+_pdbx_refine_tls_group.end_label_seq_id     4312
+_pdbx_refine_tls_group.end_auth_asym_id     18949
+_pdbx_refine_tls_group.end_auth_seq_id      18980
+_pdbx_refine_tls_group.selection        765
+_pdbx_refine_tls_group.selection_details        7538
+_pdbx_contact_author.Structure_ID       62131
+_pdbx_contact_author.address_1      62131
+_pdbx_contact_author.address_2      34619
+_pdbx_contact_author.address_3      21127
+_pdbx_contact_author.city       62131
+_pdbx_contact_author.state_province     61987
+_pdbx_contact_author.postal_code        62131
+_pdbx_contact_author.email      62131
+_pdbx_contact_author.fax        33228
+_pdbx_contact_author.name_first     62131
+_pdbx_contact_author.name_last      62131
+_pdbx_contact_author.name_mi        28308
+_pdbx_contact_author.name_salutation        56425
+_pdbx_contact_author.country        62131
+_pdbx_contact_author.phone      59035
+_pdbx_contact_author.role       62131
+_pdbx_contact_author.organization_type      62131
+_pdbx_SG_project.Structure_ID       13031
+_pdbx_SG_project.id     13031
+_pdbx_SG_project.project_name       9362
+_pdbx_SG_project.full_name_of_center        12717
+_pdbx_SG_project.initial_of_center      12712
+_pdbx_atom_site_aniso_tls.Structure_ID      0
+_pdbx_atom_site_aniso_tls.id        0
+_pdbx_atom_site_aniso_tls.type_symbol       0
+_pdbx_atom_site_aniso_tls.tls_group_id      0
+_pdbx_atom_site_aniso_tls.auth_comp_id      0
+_pdbx_atom_site_aniso_tls.auth_seq_id       0
+_pdbx_atom_site_aniso_tls.auth_atom_id      0
+_pdbx_atom_site_aniso_tls.auth_asym_id      0
+_pdbx_atom_site_aniso_tls.PDB_ins_code      0
+_pdbx_atom_site_aniso_tls.label_alt_id      0
+_pdbx_atom_site_aniso_tls.label_asym_id     0
+_pdbx_atom_site_aniso_tls.label_atom_id     0
+_pdbx_atom_site_aniso_tls.label_comp_id     0
+_pdbx_atom_site_aniso_tls.label_seq_id      0
+_pdbx_atom_site_aniso_tls.U_tls_1_1     0
+_pdbx_atom_site_aniso_tls.U_tls_2_2     0
+_pdbx_atom_site_aniso_tls.U_tls_3_3     0
+_pdbx_atom_site_aniso_tls.U_tls_1_2     0
+_pdbx_atom_site_aniso_tls.U_tls_1_3     0
+_pdbx_atom_site_aniso_tls.U_tls_2_3     0
+_pdbx_nmr_details.Structure_ID      3374
+_pdbx_nmr_details.entry_id      3374
+_pdbx_nmr_details.text      3374
+_pdbx_nmr_sample_details.Structure_ID       8958
+_pdbx_nmr_sample_details.solution_id        8958
+_pdbx_nmr_sample_details.contents       8926
+_pdbx_nmr_sample_details.solvent_system     7892
+_pdbx_nmr_exptl_sample.Structure_ID     3471
+_pdbx_nmr_exptl_sample.solution_id      3471
+_pdbx_nmr_exptl_sample.component        3471
+_pdbx_nmr_exptl_sample.concentration        3314
+_pdbx_nmr_exptl_sample.concentration_range      367
+_pdbx_nmr_exptl_sample.concentration_units      3468
+_pdbx_nmr_exptl_sample.isotopic_labeling        2709
+_pdbx_nmr_exptl_sample_conditions.Structure_ID      9887
+_pdbx_nmr_exptl_sample_conditions.conditions_id     9887
+_pdbx_nmr_exptl_sample_conditions.temperature       9812
+_pdbx_nmr_exptl_sample_conditions.pressure_units        1153
+_pdbx_nmr_exptl_sample_conditions.pressure      8719
+_pdbx_nmr_exptl_sample_conditions.pH        9694
+_pdbx_nmr_exptl_sample_conditions.ionic_strength        7194
+_pdbx_nmr_spectrometer.Structure_ID     9789
+_pdbx_nmr_spectrometer.spectrometer_id      9789
+_pdbx_nmr_spectrometer.model        9724
+_pdbx_nmr_spectrometer.type     3443
+_pdbx_nmr_spectrometer.manufacturer     9753
+_pdbx_nmr_spectrometer.field_strength       9710
+_pdbx_nmr_exptl.Structure_ID        9498
+_pdbx_nmr_exptl.experiment_id       9498
+_pdbx_nmr_exptl.conditions_id       9498
+_pdbx_nmr_exptl.solution_id     9498
+_pdbx_nmr_exptl.type        9483
+_pdbx_nmr_software.Structure_ID     10296
+_pdbx_nmr_software.ordinal      10296
+_pdbx_nmr_software.classification       10296
+_pdbx_nmr_software.name     10296
+_pdbx_nmr_software.version      7558
+_pdbx_nmr_software.authors      9861
+_pdbx_nmr_constraints.Structure_ID      1046
+_pdbx_nmr_constraints.entry_id      1046
+_pdbx_nmr_constraints.NOE_constraints_total     968
+_pdbx_nmr_constraints.NOE_intraresidue_total_count      789
+_pdbx_nmr_constraints.NOE_interentity_total_count       0
+_pdbx_nmr_constraints.NOE_sequential_total_count        817
+_pdbx_nmr_constraints.NOE_medium_range_total_count      810
+_pdbx_nmr_constraints.NOE_long_range_total_count        780
+_pdbx_nmr_constraints.protein_phi_angle_constraints_total_count     539
+_pdbx_nmr_constraints.protein_psi_angle_constraints_total_count     515
+_pdbx_nmr_constraints.protein_chi_angle_constraints_total_count     116
+_pdbx_nmr_constraints.protein_other_angle_constraints_total_count       64
+_pdbx_nmr_constraints.NOE_interproton_distance_evaluation       0
+_pdbx_nmr_constraints.NOE_pseudoatom_corrections        0
+_pdbx_nmr_constraints.NOE_motional_averaging_correction     0
+_pdbx_nmr_constraints.hydrogen_bond_constraints_total_count     275
+_pdbx_nmr_constraints.disulfide_bond_constraints_total_count        20
+_pdbx_nmr_constraints.NA_alpha_angle_constraints_total_count        24
+_pdbx_nmr_constraints.NA_beta_angle_constraints_total_count     23
+_pdbx_nmr_constraints.NA_gamma_angle_constraints_total_count        19
+_pdbx_nmr_constraints.NA_delta_angle_constraints_total_count        21
+_pdbx_nmr_constraints.NA_epsilon_angle_constraints_total_count      31
+_pdbx_nmr_constraints.NA_chi_angle_constraints_total_count      33
+_pdbx_nmr_constraints.NA_other_angle_constraints_total_count        21
+_pdbx_nmr_constraints.NA_sugar_pucker_constraints_total_count       23
+_pdbx_nmr_ensemble.Structure_ID     10748
+_pdbx_nmr_ensemble.entry_id     10748
+_pdbx_nmr_ensemble.conformers_calculated_total_number       9435
+_pdbx_nmr_ensemble.conformers_submitted_total_number        10720
+_pdbx_nmr_ensemble.conformer_selection_criteria     9303
+_pdbx_nmr_ensemble.representative_conformer     735
+_pdbx_nmr_ensemble.average_constraints_per_residue      3
+_pdbx_nmr_ensemble.average_constraint_violations_per_residue        0
+_pdbx_nmr_ensemble.maximum_distance_constraint_violation        10
+_pdbx_nmr_ensemble.average_distance_constraint_violation        1
+_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation      348
+_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation      126
+_pdbx_nmr_ensemble.distance_constraint_violation_method     3
+_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation       205
+_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation       83
+_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method        74
+_pdbx_nmr_ensemble_rms.Structure_ID     314
+_pdbx_nmr_ensemble_rms.entry_id     314
+_pdbx_nmr_ensemble_rms.residue_range_begin      1
+_pdbx_nmr_ensemble_rms.chain_range_begin        1
+_pdbx_nmr_ensemble_rms.residue_range_end        1
+_pdbx_nmr_ensemble_rms.chain_range_end      1
+_pdbx_nmr_ensemble_rms.atom_type        3
+_pdbx_nmr_ensemble_rms.distance_rms_dev     288
+_pdbx_nmr_ensemble_rms.distance_rms_dev_error       191
+_pdbx_nmr_ensemble_rms.covalent_bond_rms_dev        7
+_pdbx_nmr_ensemble_rms.covalent_bond_rms_dev_error      0
+_pdbx_nmr_ensemble_rms.bond_angle_rms_dev       8
+_pdbx_nmr_ensemble_rms.bond_angle_rms_dev_error     0
+_pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev       7
+_pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev_error     0
+_pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev        0
+_pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev_error      0
+_pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev      4
+_pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev_error        0
+_pdbx_nmr_ensemble_rms.coord_average_rmsd_method        1
+_pdbx_nmr_representative.Structure_ID       8409
+_pdbx_nmr_representative.entry_id       8409
+_pdbx_nmr_representative.conformer_id       8264
+_pdbx_nmr_representative.selection_criteria     7718
+_pdbx_nmr_refine.Structure_ID       10154
+_pdbx_nmr_refine.entry_id       10154
+_pdbx_nmr_refine.method     9737
+_pdbx_nmr_refine.details        4301
+_pdbx_nmr_force_constants.Structure_ID      0
+_pdbx_nmr_force_constants.entry_id      0
+_pdbx_nmr_force_constants.exptl_distance_term       0
+_pdbx_nmr_force_constants.exptl_distance_term_units     0
+_pdbx_nmr_force_constants.exptl_torsion_angles_term     0
+_pdbx_nmr_force_constants.exptl_torsion_angles_term_units       0
+_pdbx_nmr_force_constants.exptl_J_coupling_term     0
+_pdbx_nmr_force_constants.exptl_J_coupling_term_units       0
+_pdbx_nmr_force_constants.exptl_13C_shift_term      0
+_pdbx_nmr_force_constants.exptl_13C_shift_term_units        0
+_pdbx_nmr_force_constants.exptl_1H_shift_term       0
+_pdbx_nmr_force_constants.exptl_1H_shift_term_units     0
+_pdbx_nmr_force_constants.exptl_dipolar_coupling_term       0
+_pdbx_nmr_force_constants.exptl_dipolar_coupling_term_units     0
+_pdbx_nmr_force_constants.exptl_D_isotope_shift_term        0
+_pdbx_nmr_force_constants.exptl_D_isotope_shift_term_units      0
+_pdbx_nmr_force_constants.covalent_geom_bond_term       0
+_pdbx_nmr_force_constants.covalent_geom_bond_term_units     0
+_pdbx_nmr_force_constants.covalent_geom_angles_term     0
+_pdbx_nmr_force_constants.covalent_geom_angles_term_units       0
+_pdbx_nmr_force_constants.covalent_geom_impropers_term      0
+_pdbx_nmr_force_constants.covalent_geom_impropers_term_units        0
+_pdbx_nmr_force_constants.non_bonded_inter_van_der_Waals_term_type      0
+_pdbx_nmr_force_constants.non_bonded_inter_van_der_Waals_term       0
+_pdbx_nmr_force_constants.non_bonded_inter_van_der_Waals_term_units     0
+_pdbx_nmr_force_constants.non_bonded_inter_conf_db_potential_term       0
+_pdbx_nmr_force_constants.non_bonded_inter_radius_of_gyration_term      0
+_pdbx_nmr_force_constants.non_bonded_inter_radius_of_gyration_term_units        0
+_ndb_struct_conf_na.Structure_ID        6963
+_ndb_struct_conf_na.entry_id        6963
+_ndb_struct_conf_na.feature     6963
+_ndb_struct_conf_na.feature_count       0
+_ndb_struct_feature_na.Structure_ID     0
+_ndb_struct_feature_na.entry_id     0
+_ndb_struct_feature_na.feature      0
+_ndb_struct_feature_na.feature_count        0
+_ndb_struct_na_base_pair.Structure_ID       6803
+_ndb_struct_na_base_pair.model_number       6803
+_ndb_struct_na_base_pair.pair_number        6802
+_ndb_struct_na_base_pair.pair_name      6802
+_ndb_struct_na_base_pair.i_label_asym_id        6803
+_ndb_struct_na_base_pair.i_label_comp_id        6803
+_ndb_struct_na_base_pair.i_label_seq_id     6803
+_ndb_struct_na_base_pair.i_symmetry     6803
+_ndb_struct_na_base_pair.j_label_asym_id        6803
+_ndb_struct_na_base_pair.j_label_comp_id        6803
+_ndb_struct_na_base_pair.j_label_seq_id     6803
+_ndb_struct_na_base_pair.j_symmetry     6803
+_ndb_struct_na_base_pair.i_auth_asym_id     6794
+_ndb_struct_na_base_pair.i_auth_seq_id      6802
+_ndb_struct_na_base_pair.i_PDB_ins_code     362
+_ndb_struct_na_base_pair.j_auth_asym_id     6794
+_ndb_struct_na_base_pair.j_auth_seq_id      6802
+_ndb_struct_na_base_pair.j_PDB_ins_code     371
+_ndb_struct_na_base_pair.shear      6802
+_ndb_struct_na_base_pair.stretch        6803
+_ndb_struct_na_base_pair.stagger        6801
+_ndb_struct_na_base_pair.buckle     6802
+_ndb_struct_na_base_pair.propeller      5
+_ndb_struct_na_base_pair.opening        6803
+_ndb_struct_na_base_pair.hbond_type_12      6745
+_ndb_struct_na_base_pair.hbond_type_28      6737
+_ndb_struct_na_base_pair_step.Structure_ID      6736
+_ndb_struct_na_base_pair_step.model_number      6736
+_ndb_struct_na_base_pair_step.step_number       6735
+_ndb_struct_na_base_pair_step.step_name     6735
+_ndb_struct_na_base_pair_step.i_label_asym_id_1     6736
+_ndb_struct_na_base_pair_step.i_label_comp_id_1     6736
+_ndb_struct_na_base_pair_step.i_label_seq_id_1      6736
+_ndb_struct_na_base_pair_step.i_symmetry_1      6736
+_ndb_struct_na_base_pair_step.j_label_asym_id_1     6736
+_ndb_struct_na_base_pair_step.j_label_comp_id_1     6736
+_ndb_struct_na_base_pair_step.j_label_seq_id_1      6736
+_ndb_struct_na_base_pair_step.j_symmetry_1      6736
+_ndb_struct_na_base_pair_step.i_label_asym_id_2     6736
+_ndb_struct_na_base_pair_step.i_label_comp_id_2     6736
+_ndb_struct_na_base_pair_step.i_label_seq_id_2      6736
+_ndb_struct_na_base_pair_step.i_symmetry_2      6736
+_ndb_struct_na_base_pair_step.j_label_asym_id_2     6736
+_ndb_struct_na_base_pair_step.j_label_comp_id_2     6736
+_ndb_struct_na_base_pair_step.j_label_seq_id_2      6736
+_ndb_struct_na_base_pair_step.j_symmetry_2      6736
+_ndb_struct_na_base_pair_step.i_auth_asym_id_1      6727
+_ndb_struct_na_base_pair_step.i_auth_seq_id_1       6735
+_ndb_struct_na_base_pair_step.i_PDB_ins_code_1      351
+_ndb_struct_na_base_pair_step.j_auth_asym_id_1      6727
+_ndb_struct_na_base_pair_step.j_auth_seq_id_1       6735
+_ndb_struct_na_base_pair_step.j_PDB_ins_code_1      359
+_ndb_struct_na_base_pair_step.i_auth_asym_id_2      6727
+_ndb_struct_na_base_pair_step.i_auth_seq_id_2       6735
+_ndb_struct_na_base_pair_step.i_PDB_ins_code_2      360
+_ndb_struct_na_base_pair_step.j_auth_asym_id_2      6727
+_ndb_struct_na_base_pair_step.j_auth_seq_id_2       6735
+_ndb_struct_na_base_pair_step.j_PDB_ins_code_2      370
+_ndb_struct_na_base_pair_step.shift     6732
+_ndb_struct_na_base_pair_step.slide     6735
+_ndb_struct_na_base_pair_step.rise      6736
+_ndb_struct_na_base_pair_step.tilt      6733
+_ndb_struct_na_base_pair_step.roll      6735
+_ndb_struct_na_base_pair_step.twist     6736
+_ndb_struct_na_base_pair_step.x_displacement        6735
+_ndb_struct_na_base_pair_step.y_displacement        6733
+_ndb_struct_na_base_pair_step.helical_rise      6736
+_ndb_struct_na_base_pair_step.inclination       6735
+_ndb_struct_na_base_pair_step.tip       6733
+_ndb_struct_na_base_pair_step.helical_twist     6736
+_ndb_original_ndb_coordinates.Structure_ID      0
+_ndb_original_ndb_coordinates.coord_section     0
+_pdbx_entity_nonpoly.Structure_ID       89949
+_pdbx_entity_nonpoly.entity_id      89949
+_pdbx_entity_nonpoly.comp_id        89949
+_pdbx_entity_nonpoly.name       89914
+_pdbx_phasing_dm.Structure_ID       585
+_pdbx_phasing_dm.entry_id       585
+_pdbx_phasing_dm.method     255
+_pdbx_phasing_dm.mask_type      9
+_pdbx_phasing_dm.fom_acentric       324
+_pdbx_phasing_dm.fom_centric        310
+_pdbx_phasing_dm.fom        334
+_pdbx_phasing_dm.reflns_acentric        324
+_pdbx_phasing_dm.reflns_centric     310
+_pdbx_phasing_dm.reflns     576
+_pdbx_phasing_dm.delta_phi_initial      9
+_pdbx_phasing_dm.delta_phi_final        9
+_pdbx_phasing_dm_shell.Structure_ID     619
+_pdbx_phasing_dm_shell.d_res_high       619
+_pdbx_phasing_dm_shell.d_res_low        619
+_pdbx_phasing_dm_shell.fom_acentric     329
+_pdbx_phasing_dm_shell.fom_centric      310
+_pdbx_phasing_dm_shell.fom      617
+_pdbx_phasing_dm_shell.reflns_acentric      329
+_pdbx_phasing_dm_shell.reflns_centric       310
+_pdbx_phasing_dm_shell.reflns       617
+_pdbx_phasing_dm_shell.delta_phi_initial        0
+_pdbx_phasing_dm_shell.delta_phi_final      288
+_pdbx_phasing_MAD_shell.Structure_ID        278
+_pdbx_phasing_MAD_shell.d_res_low       278
+_pdbx_phasing_MAD_shell.d_res_high      278
+_pdbx_phasing_MAD_shell.reflns_acentric     141
+_pdbx_phasing_MAD_shell.reflns_centric      132
+_pdbx_phasing_MAD_shell.reflns      247
+_pdbx_phasing_MAD_shell.fom_acentric        154
+_pdbx_phasing_MAD_shell.fom_centric     98
+_pdbx_phasing_MAD_shell.fom     243
+_pdbx_phasing_MAD_shell.R_cullis_centric        0
+_pdbx_phasing_MAD_shell.R_cullis_acentric       0
+_pdbx_phasing_MAD_shell.R_cullis        0
+_pdbx_phasing_MAD_shell.R_kraut_centric     0
+_pdbx_phasing_MAD_shell.R_kraut_acentric        0
+_pdbx_phasing_MAD_shell.R_kraut     0
+_pdbx_phasing_MAD_shell.loc_centric     0
+_pdbx_phasing_MAD_shell.loc_acentric        0
+_pdbx_phasing_MAD_shell.loc     0
+_pdbx_phasing_MAD_shell.power_centric       0
+_pdbx_phasing_MAD_shell.power_acentric      0
+_pdbx_phasing_MAD_shell.power       0
+_pdbx_phasing_MAD_set.Structure_ID      213
+_pdbx_phasing_MAD_set.id        213
+_pdbx_phasing_MAD_set.d_res_low     212
+_pdbx_phasing_MAD_set.d_res_high        213
+_pdbx_phasing_MAD_set.number_of_sites       0
+_pdbx_phasing_MAD_set.reflns_acentric       104
+_pdbx_phasing_MAD_set.reflns_centric        99
+_pdbx_phasing_MAD_set.reflns        1
+_pdbx_phasing_MAD_set.fom_acentric      15
+_pdbx_phasing_MAD_set.fom_centric       4
+_pdbx_phasing_MAD_set.fom       17
+_pdbx_phasing_MAD_set.R_cullis_centric      45
+_pdbx_phasing_MAD_set.R_cullis_acentric     85
+_pdbx_phasing_MAD_set.R_cullis      15
+_pdbx_phasing_MAD_set.R_kraut_centric       14
+_pdbx_phasing_MAD_set.R_kraut_acentric      19
+_pdbx_phasing_MAD_set.R_kraut       15
+_pdbx_phasing_MAD_set.loc_centric       12
+_pdbx_phasing_MAD_set.loc_acentric      14
+_pdbx_phasing_MAD_set.loc       14
+_pdbx_phasing_MAD_set.power_centric     53
+_pdbx_phasing_MAD_set.power_acentric        85
+_pdbx_phasing_MAD_set.power     18
+_pdbx_phasing_MAD_set_shell.Structure_ID        212
+_pdbx_phasing_MAD_set_shell.id      212
+_pdbx_phasing_MAD_set_shell.d_res_low       212
+_pdbx_phasing_MAD_set_shell.d_res_high      212
+_pdbx_phasing_MAD_set_shell.reflns_acentric     104
+_pdbx_phasing_MAD_set_shell.reflns_centric      99
+_pdbx_phasing_MAD_set_shell.reflns      3
+_pdbx_phasing_MAD_set_shell.fom_acentric        14
+_pdbx_phasing_MAD_set_shell.fom_centric     3
+_pdbx_phasing_MAD_set_shell.fom     14
+_pdbx_phasing_MAD_set_shell.R_cullis_centric        44
+_pdbx_phasing_MAD_set_shell.R_cullis_acentric       85
+_pdbx_phasing_MAD_set_shell.R_cullis        15
+_pdbx_phasing_MAD_set_shell.R_kraut_centric     14
+_pdbx_phasing_MAD_set_shell.R_kraut_acentric        16
+_pdbx_phasing_MAD_set_shell.R_kraut     15
+_pdbx_phasing_MAD_set_shell.loc_centric     12
+_pdbx_phasing_MAD_set_shell.loc_acentric        14
+_pdbx_phasing_MAD_set_shell.loc     14
+_pdbx_phasing_MAD_set_shell.power_centric       53
+_pdbx_phasing_MAD_set_shell.power_acentric      85
+_pdbx_phasing_MAD_set_shell.power       17
+_pdbx_phasing_MAD_set_site.Structure_ID     420
+_pdbx_phasing_MAD_set_site.id       420
+_pdbx_phasing_MAD_set_site.atom_type_symbol     418
+_pdbx_phasing_MAD_set_site.Cartn_x      154
+_pdbx_phasing_MAD_set_site.Cartn_y      154
+_pdbx_phasing_MAD_set_site.Cartn_z      154
+_pdbx_phasing_MAD_set_site.Cartn_x_esd      0
+_pdbx_phasing_MAD_set_site.Cartn_y_esd      0
+_pdbx_phasing_MAD_set_site.Cartn_z_esd      0
+_pdbx_phasing_MAD_set_site.fract_x      264
+_pdbx_phasing_MAD_set_site.fract_y      264
+_pdbx_phasing_MAD_set_site.fract_z      263
+_pdbx_phasing_MAD_set_site.fract_x_esd      0
+_pdbx_phasing_MAD_set_site.fract_y_esd      0
+_pdbx_phasing_MAD_set_site.fract_z_esd      0
+_pdbx_phasing_MAD_set_site.b_iso        414
+_pdbx_phasing_MAD_set_site.b_iso_esd        0
+_pdbx_phasing_MAD_set_site.occupancy        398
+_pdbx_phasing_MAD_set_site.occupancy_esd        0
+_pdbx_phasing_MAD_set_site.set_id       0
+_pdbx_phasing_MAD_set_site.occupancy_iso        13
+_pdbx_phasing_MR.Structure_ID       3549
+_pdbx_phasing_MR.entry_id       3549
+_pdbx_phasing_MR.method_rotation        50
+_pdbx_phasing_MR.d_res_high_rotation        3291
+_pdbx_phasing_MR.d_res_low_rotation     3291
+_pdbx_phasing_MR.sigma_F_rotation       0
+_pdbx_phasing_MR.sigma_I_rotation       0
+_pdbx_phasing_MR.reflns_percent_rotation        22
+_pdbx_phasing_MR.method_translation     95
+_pdbx_phasing_MR.d_res_high_translation     3399
+_pdbx_phasing_MR.d_res_low_translation      3399
+_pdbx_phasing_MR.sigma_F_translation        5
+_pdbx_phasing_MR.sigma_I_translation        0
+_pdbx_phasing_MR.reflns_percent_translation     68
+_pdbx_phasing_MR.correlation_coeff_Io_to_Ic     128
+_pdbx_phasing_MR.correlation_coeff_Fo_to_Fc     563
+_pdbx_phasing_MR.R_factor       1334
+_pdbx_phasing_MR.R_rigid_body       17
+_pdbx_phasing_MR.packing        70
+_pdbx_phasing_MR.model_details      1807
+_pdbx_phasing_MR.native_set_id      0
+_pdbx_refine_component.Structure_ID     0
+_pdbx_refine_component.label_alt_id     0
+_pdbx_refine_component.label_asym_id        0
+_pdbx_refine_component.label_comp_id        0
+_pdbx_refine_component.label_seq_id     0
+_pdbx_refine_component.auth_asym_id     0
+_pdbx_refine_component.auth_comp_id     0
+_pdbx_refine_component.auth_seq_id      0
+_pdbx_refine_component.PDB_ins_code     0
+_pdbx_refine_component.B_iso        0
+_pdbx_refine_component.B_iso_main_chain     0
+_pdbx_refine_component.B_iso_side_chain     0
+_pdbx_refine_component.shift        0
+_pdbx_refine_component.shift_side_chain     0
+_pdbx_refine_component.shift_main_chain     0
+_pdbx_refine_component.correlation      0
+_pdbx_refine_component.correlation_side_chain       0
+_pdbx_refine_component.correlation_main_chain       0
+_pdbx_refine_component.real_space_R     0
+_pdbx_refine_component.real_space_R_side_chain      0
+_pdbx_refine_component.real_space_R_main_chain      0
+_pdbx_refine_component.connect      0
+_pdbx_refine_component.density_index        0
+_pdbx_refine_component.density_index_main_chain     0
+_pdbx_refine_component.density_index_side_chain     0
+_pdbx_refine_component.density_ratio        0
+_pdbx_refine_component.density_ratio_main_chain     0
+_pdbx_refine_component.density_ratio_side_chain     0
+_pdbx_entity_prod_protocol.Structure_ID     0
+_pdbx_entity_prod_protocol.entry_id     0
+_pdbx_entity_prod_protocol.entity_id        0
+_pdbx_entity_prod_protocol.protocol     0
+_pdbx_entity_prod_protocol.protocol_type        0
+_pdbx_entity_src_gen_prod_other.Structure_ID        0
+_pdbx_entity_src_gen_prod_other.entry_id        0
+_pdbx_entity_src_gen_prod_other.entity_id       0
+_pdbx_entity_src_gen_prod_other.step_id     0
+_pdbx_entity_src_gen_prod_other.next_step_id        0
+_pdbx_entity_src_gen_prod_other.end_construct_id        0
+_pdbx_entity_src_gen_prod_other.robot_id        0
+_pdbx_entity_src_gen_prod_other.date        0
+_pdbx_entity_src_gen_prod_other.process_name        0
+_pdbx_entity_src_gen_prod_other.details     0
+_pdbx_entity_src_gen_prod_other_parameter.Structure_ID      0
+_pdbx_entity_src_gen_prod_other_parameter.entry_id      0
+_pdbx_entity_src_gen_prod_other_parameter.entity_id     0
+_pdbx_entity_src_gen_prod_other_parameter.step_id       0
+_pdbx_entity_src_gen_prod_other_parameter.parameter     0
+_pdbx_entity_src_gen_prod_other_parameter.value     0
+_pdbx_entity_src_gen_prod_other_parameter.details       0
+_pdbx_entity_src_gen_prod_pcr.Structure_ID      0
+_pdbx_entity_src_gen_prod_pcr.entry_id      0
+_pdbx_entity_src_gen_prod_pcr.entity_id     0
+_pdbx_entity_src_gen_prod_pcr.step_id       0
+_pdbx_entity_src_gen_prod_pcr.next_step_id      0
+_pdbx_entity_src_gen_prod_pcr.end_construct_id      0
+_pdbx_entity_src_gen_prod_pcr.robot_id      0
+_pdbx_entity_src_gen_prod_pcr.date      0
+_pdbx_entity_src_gen_prod_pcr.forward_primer_id     0
+_pdbx_entity_src_gen_prod_pcr.reverse_primer_id     0
+_pdbx_entity_src_gen_prod_pcr.reaction_details      0
+_pdbx_entity_src_gen_prod_pcr.purification_details      0
+_pdbx_entity_src_gen_prod_pcr.summary       0
+_pdbx_entity_src_gen_prod_digest.Structure_ID       0
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+_pdbx_entity_src_gen_prod_digest.entity_id      0
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+_pdbx_entity_src_gen_prod_digest.date       0
+_pdbx_entity_src_gen_prod_digest.restriction_enzyme_1       0
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+_pdbx_entity_src_gen_express.host_org_common_name       0
+_pdbx_entity_src_gen_express.host_org_variant       0
+_pdbx_entity_src_gen_express.host_org_strain        0
+_pdbx_entity_src_gen_express.host_org_tissue        0
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+_pdbx_entity_src_gen_express.host_org_cell_line     0
+_pdbx_entity_src_gen_express.host_org_tax_id        0
+_pdbx_entity_src_gen_express.host_org_details       0
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+_pdbx_entity_src_gen_refold.details     0
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+_pdbx_entity_src_gen_chrom.entity_id        0
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+_pdbx_entity_src_gen_chrom.robot_id     0
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+_pdbx_entity_src_gen_chrom.sample_concentration     0
+_pdbx_entity_src_gen_chrom.sample_conc_method       0
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+_pdbx_entity_src_gen_chrom.yield_method     0
+_pdbx_entity_src_gen_chrom.post_treatment       0
+_pdbx_entity_src_gen_fract.Structure_ID     0
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+_pdbx_domain_range.beg_auth_asym_id     0
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+_pdbx_feature_domain.id     0
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+_pdbx_feature_sequence_range.Structure_ID       0
+_pdbx_feature_sequence_range.id     0
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+_pdbx_feature_assembly.Structure_ID     0
+_pdbx_feature_assembly.id       0
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+_pdbx_feature_assembly.feature_citation_id      0
+_pdbx_feature_assembly.feature_software_id      0
+_pdbx_feature_monomer.Structure_ID      0
+_pdbx_feature_monomer.id        0
+_pdbx_feature_monomer.feature_name      0
+_pdbx_feature_monomer.feature_type      0
+_pdbx_feature_monomer.feature       0
+_pdbx_feature_monomer.feature_identifier        0
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+_pdbx_feature_monomer.feature_citation_id       0
+_pdbx_feature_monomer.feature_software_id       0
+_pdbx_feature_monomer.label_alt_id      0
+_pdbx_feature_monomer.label_asym_id     0
+_pdbx_feature_monomer.label_comp_id     0
+_pdbx_feature_monomer.label_seq_id      0
+_pdbx_feature_monomer.auth_asym_id      0
+_pdbx_feature_monomer.auth_comp_id      0
+_pdbx_feature_monomer.auth_seq_id       0
+_pdbx_exptl_pd.Structure_ID     0
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+_pdbx_exptl_pd.spec_preparation_pH      0
+_pdbx_exptl_pd.spec_preparation_pH_range        0
+_pdbx_exptl_pd.spec_preparation     0
+_pdbx_reflns_twin.Structure_ID      780
+_pdbx_reflns_twin.diffrn_id     780
+_pdbx_reflns_twin.crystal_id        780
+_pdbx_reflns_twin.domain_id     764
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+_pdbx_reflns_twin.operator      780
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+_pdbx_re_refinement.Structure_ID        0
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+_pdbx_struct_assembly_prop.Structure_ID     45012
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+_pdbx_struct_ref_seq_feature.Structure_ID       0
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+_pdbx_struct_ref_seq_feature.beg_auth_seq_id        0
+_pdbx_struct_ref_seq_feature.end_auth_seq_id        0
+_pdbx_struct_ref_seq_feature.beg_seq_num        0
+_pdbx_struct_ref_seq_feature.end_seq_num        0
+_pdbx_struct_ref_seq_feature.beg_auth_mon_id        0
+_pdbx_struct_ref_seq_feature.end_auth_mon_id        0
+_pdbx_struct_ref_seq_feature.beg_pdb_ins_code       0
+_pdbx_struct_ref_seq_feature.end_pdb_ins_code       0
+_pdbx_struct_ref_seq_feature_prop.Structure_ID      0
+_pdbx_struct_ref_seq_feature_prop.feature_id        0
+_pdbx_struct_ref_seq_feature_prop.property_id       0
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+_pdbx_struct_ref_seq_feature_prop.details       0
+_pdbx_struct_ref_seq_feature_prop.beg_db_mon_id     0
+_pdbx_struct_ref_seq_feature_prop.end_db_mon_id     0
+_pdbx_struct_ref_seq_feature_prop.beg_db_seq_id     0
+_pdbx_struct_ref_seq_feature_prop.end_db_seq_id     0
+_pdbx_struct_chem_comp_diagnostics.Structure_ID     711
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+_pdbx_struct_chem_comp_diagnostics.type     711
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+_pdbx_struct_chem_comp_diagnostics.asym_id      711
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+_pdbx_chem_comp_feature.Structure_ID        0
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+_pdbx_chem_comp_feature.source      0
+_pdbx_coordinate_model.Structure_ID     376
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+_pdbx_struct_chem_comp_feature.type     0
+_pdbx_struct_chem_comp_feature.pdb_strand_id        0
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+_pdbx_struct_chem_comp_feature.auth_seq_id      0
+_pdbx_struct_chem_comp_feature.seq_num      0
+_pdbx_struct_chem_comp_feature.auth_comp_id     0
+_pdbx_struct_chem_comp_feature.pdb_ins_code     0
+_pdbx_struct_chem_comp_feature.ordinal      0
+_pdbx_diffrn_reflns_shell.Structure_ID      1425
+_pdbx_diffrn_reflns_shell.diffrn_id     1425
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+_pdbx_diffrn_reflns_shell.rejects       57
+_pdbx_diffrn_reflns_shell.number_obs        0
+_pdbx_bond_distance_limits.Structure_ID     0
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+_pdbx_soln_scatter.Structure_ID     44
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+_pdbx_soln_scatter.data_analysis_software_list      33
+_pdbx_soln_scatter_model.Structure_ID       43
+_pdbx_soln_scatter_model.scatter_id     43
+_pdbx_soln_scatter_model.id     43
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+_pdbx_soln_scatter_model.entry_fitting_list     8
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+_pdbx_soln_scatter_model.num_conformers_submitted       43
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+_pdbx_chem_comp_descriptor.Structure_ID     0
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+_pdbx_chem_comp_import.Structure_ID     0
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+_pdbx_chem_comp_atom_edit.Structure_ID      0
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+_pdbx_chem_comp_atom_edit.comp_id       0
+_pdbx_chem_comp_atom_edit.edit_op       0
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+_pdbx_chem_comp_atom_edit.edit_atom_id      0
+_pdbx_chem_comp_atom_edit.edit_atom_value       0
+_pdbx_chem_comp_bond_edit.Structure_ID      0
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+_pdbx_chem_comp_bond_edit.comp_id       0
+_pdbx_chem_comp_bond_edit.edit_op       0
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+_pdbx_chem_comp_audit.Structure_ID      0
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+_pdbx_validate_close_contact.Structure_ID       40669
+_pdbx_validate_close_contact.id     40669
+_pdbx_validate_close_contact.PDB_model_num      40668
+_pdbx_validate_close_contact.auth_asym_id_1     40667
+_pdbx_validate_close_contact.auth_atom_id_1     40669
+_pdbx_validate_close_contact.auth_comp_id_1     40669
+_pdbx_validate_close_contact.auth_seq_id_1      40669
+_pdbx_validate_close_contact.auth_atom_id_2     40669
+_pdbx_validate_close_contact.auth_asym_id_2     40667
+_pdbx_validate_close_contact.auth_comp_id_2     40669
+_pdbx_validate_close_contact.auth_seq_id_2      40669
+_pdbx_validate_close_contact.PDB_ins_code_1     304
+_pdbx_validate_close_contact.PDB_ins_code_2     209
+_pdbx_validate_close_contact.label_alt_id_1     4403
+_pdbx_validate_close_contact.label_alt_id_2     896
+_pdbx_validate_close_contact.symm_as_xyz_1      0
+_pdbx_validate_close_contact.symm_as_xyz_2      0
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+_pdbx_validate_symm_contact.Structure_ID        16170
+_pdbx_validate_symm_contact.id      16170
+_pdbx_validate_symm_contact.PDB_model_num       16170
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+_pdbx_validate_symm_contact.auth_atom_id_1      16170
+_pdbx_validate_symm_contact.auth_comp_id_1      16170
+_pdbx_validate_symm_contact.auth_seq_id_1       16170
+_pdbx_validate_symm_contact.auth_atom_id_2      16170
+_pdbx_validate_symm_contact.auth_asym_id_2      16168
+_pdbx_validate_symm_contact.auth_comp_id_2      16170
+_pdbx_validate_symm_contact.auth_seq_id_2       16170
+_pdbx_validate_symm_contact.PDB_ins_code_1      97
+_pdbx_validate_symm_contact.PDB_ins_code_2      57
+_pdbx_validate_symm_contact.label_alt_id_1      795
+_pdbx_validate_symm_contact.label_alt_id_2      241
+_pdbx_validate_symm_contact.site_symmetry_1     16170
+_pdbx_validate_symm_contact.site_symmetry_2     16170
+_pdbx_validate_symm_contact.dist        16157
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+_pdbx_validate_rmsd_bond.id     20800
+_pdbx_validate_rmsd_bond.PDB_model_num      20799
+_pdbx_validate_rmsd_bond.auth_asym_id_1     20799
+_pdbx_validate_rmsd_bond.auth_atom_id_1     20800
+_pdbx_validate_rmsd_bond.auth_comp_id_1     20800
+_pdbx_validate_rmsd_bond.auth_seq_id_1      20800
+_pdbx_validate_rmsd_bond.auth_atom_id_2     20800
+_pdbx_validate_rmsd_bond.auth_asym_id_2     20799
+_pdbx_validate_rmsd_bond.auth_comp_id_2     20800
+_pdbx_validate_rmsd_bond.auth_seq_id_2      20800
+_pdbx_validate_rmsd_bond.PDB_ins_code_1     179
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+_pdbx_validate_rmsd_bond.bond_value     18
+_pdbx_validate_rmsd_bond.linker_flag        18
+_pdbx_validate_rmsd_angle.Structure_ID      43505
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+_pdbx_validate_rmsd_angle.PDB_model_num     43503
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+_pdbx_validate_rmsd_angle.auth_atom_id_1        43505
+_pdbx_validate_rmsd_angle.auth_comp_id_1        43505
+_pdbx_validate_rmsd_angle.auth_seq_id_1     43505
+_pdbx_validate_rmsd_angle.auth_atom_id_2        43505
+_pdbx_validate_rmsd_angle.auth_asym_id_2        43503
+_pdbx_validate_rmsd_angle.auth_comp_id_2        43505
+_pdbx_validate_rmsd_angle.auth_seq_id_2     43505
+_pdbx_validate_rmsd_angle.auth_atom_id_3        43505
+_pdbx_validate_rmsd_angle.auth_asym_id_3        43503
+_pdbx_validate_rmsd_angle.auth_comp_id_3        43505
+_pdbx_validate_rmsd_angle.auth_seq_id_3     43505
+_pdbx_validate_rmsd_angle.PDB_ins_code_1        553
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+_pdbx_validate_rmsd_angle.label_alt_id_1        2665
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+_pdbx_validate_rmsd_angle.angle_deviation       43505
+_pdbx_validate_rmsd_angle.angle_value       34
+_pdbx_validate_rmsd_angle.linker_flag       34
+_pdbx_validate_torsion.Structure_ID     92707
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+_pdbx_validate_torsion.auth_comp_id     92707
+_pdbx_validate_torsion.auth_seq_id      92707
+_pdbx_validate_torsion.PDB_ins_code     1387
+_pdbx_validate_torsion.phi      92707
+_pdbx_validate_torsion.psi      92707
+_pdbx_validate_peptide_omega.Structure_ID       11172
+_pdbx_validate_peptide_omega.id     11172
+_pdbx_validate_peptide_omega.PDB_model_num      11172
+_pdbx_validate_peptide_omega.auth_asym_id_1     11172
+_pdbx_validate_peptide_omega.auth_asym_id_2     11172
+_pdbx_validate_peptide_omega.auth_comp_id_1     11172
+_pdbx_validate_peptide_omega.auth_comp_id_2     11172
+_pdbx_validate_peptide_omega.auth_seq_id_1      11172
+_pdbx_validate_peptide_omega.auth_seq_id_2      11172
+_pdbx_validate_peptide_omega.PDB_ins_code_1     44
+_pdbx_validate_peptide_omega.PDB_ins_code_2     46
+_pdbx_validate_peptide_omega.label_alt_id_1     0
+_pdbx_validate_peptide_omega.label_alt_id_2     0
+_pdbx_validate_peptide_omega.omega      11172
+_pdbx_validate_chiral.Structure_ID      22749
+_pdbx_validate_chiral.id        22749
+_pdbx_validate_chiral.PDB_model_num     22748
+_pdbx_validate_chiral.auth_asym_id      22747
+_pdbx_validate_chiral.auth_atom_id      0
+_pdbx_validate_chiral.label_alt_id      0
+_pdbx_validate_chiral.auth_comp_id      22749
+_pdbx_validate_chiral.auth_seq_id       22749
+_pdbx_validate_chiral.PDB_ins_code      173
+_pdbx_validate_chiral.omega     22748
+_pdbx_validate_chiral.details       22749
+_pdbx_validate_planes.Structure_ID      10511
+_pdbx_validate_planes.id        10511
+_pdbx_validate_planes.PDB_model_num     10511
+_pdbx_validate_planes.auth_asym_id      10511
+_pdbx_validate_planes.auth_comp_id      10511
+_pdbx_validate_planes.auth_seq_id       10511
+_pdbx_validate_planes.PDB_ins_code      173
+_pdbx_validate_planes.rmsd      10511
+_pdbx_validate_planes.type      10511
+_pdbx_validate_planes_atom.Structure_ID     0
+_pdbx_validate_planes_atom.plane_id     0
+_pdbx_validate_planes_atom.id       0
+_pdbx_validate_planes_atom.PDB_model_num        0
+_pdbx_validate_planes_atom.auth_asym_id     0
+_pdbx_validate_planes_atom.auth_comp_id     0
+_pdbx_validate_planes_atom.auth_seq_id      0
+_pdbx_validate_planes_atom.PDB_ins_code     0
+_pdbx_validate_planes_atom.auth_atom_id     0
+_pdbx_validate_planes_atom.atom_deviation       0
+_pdbx_validate_main_chain_plane.Structure_ID        4668
+_pdbx_validate_main_chain_plane.id      4668
+_pdbx_validate_main_chain_plane.PDB_model_num       4668
+_pdbx_validate_main_chain_plane.auth_asym_id        4668
+_pdbx_validate_main_chain_plane.auth_comp_id        4668
+_pdbx_validate_main_chain_plane.auth_seq_id     4668
+_pdbx_validate_main_chain_plane.PDB_ins_code        47
+_pdbx_validate_main_chain_plane.improper_torsion_angle      4668
+_pdbx_struct_conn_angle.Structure_ID        0
+_pdbx_struct_conn_angle.id      0
+_pdbx_struct_conn_angle.ptnr1_label_alt_id      0
+_pdbx_struct_conn_angle.ptnr1_label_asym_id     0
+_pdbx_struct_conn_angle.ptnr1_label_atom_id     0
+_pdbx_struct_conn_angle.ptnr1_label_comp_id     0
+_pdbx_struct_conn_angle.ptnr1_label_seq_id      0
+_pdbx_struct_conn_angle.ptnr1_auth_asym_id      0
+_pdbx_struct_conn_angle.ptnr1_auth_atom_id      0
+_pdbx_struct_conn_angle.ptnr1_auth_comp_id      0
+_pdbx_struct_conn_angle.ptnr1_auth_seq_id       0
+_pdbx_struct_conn_angle.ptnr1_symmetry      0
+_pdbx_struct_conn_angle.ptnr2_label_alt_id      0
+_pdbx_struct_conn_angle.ptnr2_label_asym_id     0
+_pdbx_struct_conn_angle.ptnr2_label_atom_id     0
+_pdbx_struct_conn_angle.ptnr2_label_comp_id     0
+_pdbx_struct_conn_angle.ptnr2_label_seq_id      0
+_pdbx_struct_conn_angle.ptnr2_auth_asym_id      0
+_pdbx_struct_conn_angle.ptnr2_auth_atom_id      0
+_pdbx_struct_conn_angle.ptnr2_auth_comp_id      0
+_pdbx_struct_conn_angle.ptnr2_auth_seq_id       0
+_pdbx_struct_conn_angle.ptnr2_symmetry      0
+_pdbx_struct_conn_angle.ptnr1_PDB_ins_code      0
+_pdbx_struct_conn_angle.ptnr1_auth_alt_id       0
+_pdbx_struct_conn_angle.ptnr2_PDB_ins_code      0
+_pdbx_struct_conn_angle.ptnr2_auth_alt_id       0
+_pdbx_struct_conn_angle.ptnr3_auth_alt_id       0
+_pdbx_struct_conn_angle.ptnr3_auth_asym_id      0
+_pdbx_struct_conn_angle.ptnr3_auth_atom_id      0
+_pdbx_struct_conn_angle.ptnr3_auth_comp_id      0
+_pdbx_struct_conn_angle.ptnr3_PDB_ins_code      0
+_pdbx_struct_conn_angle.ptnr3_auth_seq_id       0
+_pdbx_struct_conn_angle.ptnr3_label_alt_id      0
+_pdbx_struct_conn_angle.ptnr3_label_asym_id     0
+_pdbx_struct_conn_angle.ptnr3_label_atom_id     0
+_pdbx_struct_conn_angle.ptnr3_label_comp_id     0
+_pdbx_struct_conn_angle.ptnr3_label_seq_id      0
+_pdbx_struct_conn_angle.value       0
+_pdbx_struct_conn_angle.value_esd       0
+_pdbx_unobs_or_zero_occ_residues.Structure_ID       72754
+_pdbx_unobs_or_zero_occ_residues.id     72754
+_pdbx_unobs_or_zero_occ_residues.polymer_flag       72754
+_pdbx_unobs_or_zero_occ_residues.occupancy_flag     72263
+_pdbx_unobs_or_zero_occ_residues.PDB_model_num      72745
+_pdbx_unobs_or_zero_occ_residues.auth_asym_id       72754
+_pdbx_unobs_or_zero_occ_residues.auth_comp_id       72754
+_pdbx_unobs_or_zero_occ_residues.auth_seq_id        72754
+_pdbx_unobs_or_zero_occ_residues.PDB_ins_code       953
+_pdbx_unobs_or_zero_occ_residues.label_asym_id      94
+_pdbx_unobs_or_zero_occ_residues.label_comp_id      94
+_pdbx_unobs_or_zero_occ_residues.label_seq_id       94
+_pdbx_unobs_or_zero_occ_atoms.Structure_ID      41491
+_pdbx_unobs_or_zero_occ_atoms.id        41491
+_pdbx_unobs_or_zero_occ_atoms.polymer_flag      41491
+_pdbx_unobs_or_zero_occ_atoms.occupancy_flag        37304
+_pdbx_unobs_or_zero_occ_atoms.PDB_model_num     41482
+_pdbx_unobs_or_zero_occ_atoms.auth_asym_id      41489
+_pdbx_unobs_or_zero_occ_atoms.auth_atom_id      41491
+_pdbx_unobs_or_zero_occ_atoms.auth_comp_id      41491
+_pdbx_unobs_or_zero_occ_atoms.auth_seq_id       41491
+_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code      419
+_pdbx_unobs_or_zero_occ_atoms.label_alt_id      3
+_pdbx_unobs_or_zero_occ_atoms.label_atom_id     63
+_pdbx_unobs_or_zero_occ_atoms.label_asym_id     63
+_pdbx_unobs_or_zero_occ_atoms.label_comp_id     63
+_pdbx_unobs_or_zero_occ_atoms.label_seq_id      63
+_pdbx_entry_details.Structure_ID        15339
+_pdbx_entry_details.entry_id        15339
+_pdbx_entry_details.nonpolymer_details      2462
+_pdbx_entry_details.sequence_details        10025
+_pdbx_entry_details.compound_details        5250
+_pdbx_entry_details.source_details      76
+_pdbx_struct_mod_residue.Structure_ID       19286
+_pdbx_struct_mod_residue.id     19286
+_pdbx_struct_mod_residue.PDB_model_num      0
+_pdbx_struct_mod_residue.auth_asym_id       19286
+_pdbx_struct_mod_residue.auth_comp_id       19286
+_pdbx_struct_mod_residue.auth_seq_id        19286
+_pdbx_struct_mod_residue.PDB_ins_code       117
+_pdbx_struct_mod_residue.label_asym_id      19286
+_pdbx_struct_mod_residue.label_comp_id      19286
+_pdbx_struct_mod_residue.label_seq_id       19286
+_pdbx_struct_mod_residue.parent_comp_id     19283
+_pdbx_struct_mod_residue.details        17615
+_pdbx_struct_ref_seq_insertion.Structure_ID     0
+_pdbx_struct_ref_seq_insertion.id       0
+_pdbx_struct_ref_seq_insertion.comp_id      0
+_pdbx_struct_ref_seq_insertion.asym_id      0
+_pdbx_struct_ref_seq_insertion.auth_asym_id     0
+_pdbx_struct_ref_seq_insertion.auth_seq_id      0
+_pdbx_struct_ref_seq_insertion.seq_id       0
+_pdbx_struct_ref_seq_insertion.PDB_ins_code     0
+_pdbx_struct_ref_seq_insertion.details      0
+_pdbx_struct_ref_seq_insertion.db_code      0
+_pdbx_struct_ref_seq_insertion.db_name      0
+_pdbx_struct_ref_seq_deletion.Structure_ID      0
+_pdbx_struct_ref_seq_deletion.id        0
+_pdbx_struct_ref_seq_deletion.details       0
+_pdbx_struct_ref_seq_deletion.asym_id       0
+_pdbx_struct_ref_seq_deletion.comp_id       0
+_pdbx_struct_ref_seq_deletion.db_seq_id     0
+_pdbx_struct_ref_seq_deletion.db_code       0
+_pdbx_struct_ref_seq_deletion.db_name       0
+_pdbx_remediation_atom_site_mapping.Structure_ID        522
+_pdbx_remediation_atom_site_mapping.id      522
+_pdbx_remediation_atom_site_mapping.group_PDB       522
+_pdbx_remediation_atom_site_mapping.label_alt_id        67
+_pdbx_remediation_atom_site_mapping.label_asym_id       522
+_pdbx_remediation_atom_site_mapping.label_atom_id       522
+_pdbx_remediation_atom_site_mapping.label_comp_id       522
+_pdbx_remediation_atom_site_mapping.label_seq_id        339
+_pdbx_remediation_atom_site_mapping.pdbx_align      0
+_pdbx_remediation_atom_site_mapping.PDB_ins_code        3
+_pdbx_remediation_atom_site_mapping.pre_auth_asym_id        485
+_pdbx_remediation_atom_site_mapping.pre_auth_atom_id        522
+_pdbx_remediation_atom_site_mapping.pre_auth_comp_id        522
+_pdbx_remediation_atom_site_mapping.pre_auth_seq_id     522
+_pdbx_remediation_atom_site_mapping.pre_PDB_ins_code        16
+_pdbx_remediation_atom_site_mapping.pre_group_PDB       522
+_pdbx_remediation_atom_site_mapping.pre_auth_alt_id     66
+_pdbx_remediation_atom_site_mapping.pre_pdbx_align      0
+_pdbx_remediation_atom_site_mapping.auth_asym_id        522
+_pdbx_remediation_atom_site_mapping.auth_atom_id        522
+_pdbx_remediation_atom_site_mapping.auth_comp_id        522
+_pdbx_remediation_atom_site_mapping.auth_seq_id     522
+_pdbx_remediation_atom_site_mapping.auth_alt_id     67
+_pdbx_remediation_atom_site_mapping.occupancy       522
+_pdbx_remediation_atom_site_mapping.pre_occupancy       1
+_pdbx_helical_symmetry.Structure_ID     54
+_pdbx_helical_symmetry.entry_id     54
+_pdbx_helical_symmetry.number_of_operations     54
+_pdbx_helical_symmetry.rotation_per_n_subunits      54
+_pdbx_helical_symmetry.rise_per_n_subunits      54
+_pdbx_helical_symmetry.n_subunits_divisor       54
+_pdbx_helical_symmetry.dyad_axis        54
+_pdbx_helical_symmetry.circular_symmetry        54
+_pdbx_point_symmetry.Structure_ID       499
+_pdbx_point_symmetry.entry_id       499
+_pdbx_point_symmetry.Schoenflies_symbol     499
+_pdbx_point_symmetry.circular_symmetry      46
+_pdbx_point_symmetry.H_M_notation       205
+_pdbx_struct_entity_inst.Structure_ID       1
+_pdbx_struct_entity_inst.details        1
+_pdbx_struct_entity_inst.entity_id      1
+_pdbx_struct_entity_inst.id     1
+_pdbx_struct_oper_list.Structure_ID     100815
+_pdbx_struct_oper_list.id       100815
+_pdbx_struct_oper_list.type     100815
+_pdbx_struct_oper_list.name     100289
+_pdbx_struct_oper_list.symmetry_operation       100057
+_pdbx_struct_oper_list.matrix_1_1       100815
+_pdbx_struct_oper_list.matrix_1_2       10585
+_pdbx_struct_oper_list.matrix_1_3       1534
+_pdbx_struct_oper_list.matrix_2_1       10596
+_pdbx_struct_oper_list.matrix_2_2       100815
+_pdbx_struct_oper_list.matrix_2_3       1533
+_pdbx_struct_oper_list.matrix_3_1       1522
+_pdbx_struct_oper_list.matrix_3_2       1538
+_pdbx_struct_oper_list.matrix_3_3       100815
+_pdbx_struct_oper_list.vector_1     11088
+_pdbx_struct_oper_list.vector_2     8924
+_pdbx_struct_oper_list.vector_3     10944
+_pdbx_struct_assembly.Structure_ID      100822
+_pdbx_struct_assembly.method_details        66598
+_pdbx_struct_assembly.oligomeric_details        100526
+_pdbx_struct_assembly.oligomeric_count      100612
+_pdbx_struct_assembly.details       100819
+_pdbx_struct_assembly.id        100822
+_pdbx_struct_assembly_gen.Structure_ID      100819
+_pdbx_struct_assembly_gen.assembly_id       100819
+_pdbx_struct_assembly_gen.entity_inst_id        0
+_pdbx_struct_assembly_gen.asym_id_list      100819
+_pdbx_struct_assembly_gen.auth_asym_id_list     0
+_pdbx_struct_assembly_gen.oper_expression       100819
+_pdbx_struct_asym_gen.Structure_ID      0
+_pdbx_struct_asym_gen.entity_inst_id        0
+_pdbx_struct_asym_gen.asym_id       0
+_pdbx_struct_asym_gen.oper_expression       0
+_pdbx_struct_msym_gen.Structure_ID      1
+_pdbx_struct_msym_gen.entity_inst_id        1
+_pdbx_struct_msym_gen.msym_id       1
+_pdbx_struct_msym_gen.oper_expression       1
+_pdbx_struct_legacy_oper_list.Structure_ID      1
+_pdbx_struct_legacy_oper_list.id        1
+_pdbx_struct_legacy_oper_list.name      1
+_pdbx_struct_legacy_oper_list.matrix_1_1        1
+_pdbx_struct_legacy_oper_list.matrix_1_2        1
+_pdbx_struct_legacy_oper_list.matrix_1_3        1
+_pdbx_struct_legacy_oper_list.matrix_2_1        1
+_pdbx_struct_legacy_oper_list.matrix_2_2        1
+_pdbx_struct_legacy_oper_list.matrix_2_3        1
+_pdbx_struct_legacy_oper_list.matrix_3_1        1
+_pdbx_struct_legacy_oper_list.matrix_3_2        1
+_pdbx_struct_legacy_oper_list.matrix_3_3        1
+_pdbx_struct_legacy_oper_list.vector_1      0
+_pdbx_struct_legacy_oper_list.vector_2      0
+_pdbx_struct_legacy_oper_list.vector_3      0
+_pdbx_chem_comp_atom_feature.Structure_ID       0
+_pdbx_chem_comp_atom_feature.comp_id        0
+_pdbx_chem_comp_atom_feature.atom_id        0
+_pdbx_chem_comp_atom_feature.feature_type       0
+_pdbx_reference_molecule_family.Structure_ID        0
+_pdbx_reference_molecule_family.family_prd_id       0
+_pdbx_reference_molecule_family.name        0
+_pdbx_reference_molecule_family.release_status      0
+_pdbx_reference_molecule_family.replaces        0
+_pdbx_reference_molecule_family.replaced_by     0
+_pdbx_reference_molecule_list.Structure_ID      0
+_pdbx_reference_molecule_list.prd_id        0
+_pdbx_reference_molecule_list.family_prd_id     0
+_pdbx_reference_molecule.Structure_ID       0
+_pdbx_reference_molecule.prd_id     0
+_pdbx_reference_molecule.formula_weight     0
+_pdbx_reference_molecule.formula        0
+_pdbx_reference_molecule.type       0
+_pdbx_reference_molecule.type_evidence_code     0
+_pdbx_reference_molecule.class      0
+_pdbx_reference_molecule.class_evidence_code        0
+_pdbx_reference_molecule.name       0
+_pdbx_reference_molecule.represent_as       0
+_pdbx_reference_molecule.chem_comp_id       0
+_pdbx_reference_molecule.compound_details       0
+_pdbx_reference_molecule.description        0
+_pdbx_reference_molecule.representative_PDB_id_code     0
+_pdbx_reference_molecule.release_status     0
+_pdbx_reference_molecule.replaces       0
+_pdbx_reference_molecule.replaced_by        0
+_pdbx_reference_entity_list.Structure_ID        0
+_pdbx_reference_entity_list.prd_id      0
+_pdbx_reference_entity_list.ref_entity_id       0
+_pdbx_reference_entity_list.type        0
+_pdbx_reference_entity_list.details     0
+_pdbx_reference_entity_list.component_id        0
+_pdbx_reference_entity_nonpoly.Structure_ID     0
+_pdbx_reference_entity_nonpoly.prd_id       0
+_pdbx_reference_entity_nonpoly.ref_entity_id        0
+_pdbx_reference_entity_nonpoly.details      0
+_pdbx_reference_entity_nonpoly.name     0
+_pdbx_reference_entity_nonpoly.chem_comp_id     0
+_pdbx_reference_entity_link.Structure_ID        0
+_pdbx_reference_entity_link.link_id     0
+_pdbx_reference_entity_link.prd_id      0
+_pdbx_reference_entity_link.details     0
+_pdbx_reference_entity_link.ref_entity_id_1     0
+_pdbx_reference_entity_link.ref_entity_id_2     0
+_pdbx_reference_entity_link.entity_seq_num_1        0
+_pdbx_reference_entity_link.entity_seq_num_2        0
+_pdbx_reference_entity_link.comp_id_1       0
+_pdbx_reference_entity_link.comp_id_2       0
+_pdbx_reference_entity_link.atom_id_1       0
+_pdbx_reference_entity_link.atom_id_2       0
+_pdbx_reference_entity_link.value_order     0
+_pdbx_reference_entity_link.component_1     0
+_pdbx_reference_entity_link.component_2     0
+_pdbx_reference_entity_link.nonpoly_res_num_1       0
+_pdbx_reference_entity_link.nonpoly_res_num_2       0
+_pdbx_reference_entity_link.link_class      0
+_pdbx_reference_entity_poly_link.Structure_ID       0
+_pdbx_reference_entity_poly_link.link_id        0
+_pdbx_reference_entity_poly_link.prd_id     0
+_pdbx_reference_entity_poly_link.details        0
+_pdbx_reference_entity_poly_link.ref_entity_id      0
+_pdbx_reference_entity_poly_link.component_id       0
+_pdbx_reference_entity_poly_link.entity_seq_num_1       0
+_pdbx_reference_entity_poly_link.entity_seq_num_2       0
+_pdbx_reference_entity_poly_link.comp_id_1      0
+_pdbx_reference_entity_poly_link.comp_id_2      0
+_pdbx_reference_entity_poly_link.atom_id_1      0
+_pdbx_reference_entity_poly_link.atom_id_2      0
+_pdbx_reference_entity_poly_link.insert_code_1      0
+_pdbx_reference_entity_poly_link.insert_code_2      0
+_pdbx_reference_entity_poly_link.value_order        0
+_pdbx_reference_entity_poly.Structure_ID        0
+_pdbx_reference_entity_poly.prd_id      0
+_pdbx_reference_entity_poly.ref_entity_id       0
+_pdbx_reference_entity_poly.type        0
+_pdbx_reference_entity_poly.db_code     0
+_pdbx_reference_entity_poly.db_name     0
+_pdbx_reference_entity_poly_seq.Structure_ID        0
+_pdbx_reference_entity_poly_seq.prd_id      0
+_pdbx_reference_entity_poly_seq.ref_entity_id       0
+_pdbx_reference_entity_poly_seq.mon_id      0
+_pdbx_reference_entity_poly_seq.parent_mon_id       0
+_pdbx_reference_entity_poly_seq.num     0
+_pdbx_reference_entity_poly_seq.observed        0
+_pdbx_reference_entity_poly_seq.hetero      0
+_pdbx_reference_entity_sequence.Structure_ID        0
+_pdbx_reference_entity_sequence.prd_id      0
+_pdbx_reference_entity_sequence.ref_entity_id       0
+_pdbx_reference_entity_sequence.type        0
+_pdbx_reference_entity_sequence.NRP_flag        0
+_pdbx_reference_entity_sequence.one_letter_codes        0
+_pdbx_reference_entity_src_nat.Structure_ID     0
+_pdbx_reference_entity_src_nat.prd_id       0
+_pdbx_reference_entity_src_nat.ref_entity_id        0
+_pdbx_reference_entity_src_nat.ordinal      0
+_pdbx_reference_entity_src_nat.organism_scientific      0
+_pdbx_reference_entity_src_nat.strain       0
+_pdbx_reference_entity_src_nat.taxid        0
+_pdbx_reference_entity_src_nat.atcc     0
+_pdbx_reference_entity_src_nat.db_code      0
+_pdbx_reference_entity_src_nat.db_name      0
+_pdbx_reference_entity_src_nat.source       0
+_pdbx_reference_entity_src_nat.source_id        0
+_pdbx_reference_molecule_details.Structure_ID       0
+_pdbx_reference_molecule_details.family_prd_id      0
+_pdbx_reference_molecule_details.prd_id     0
+_pdbx_reference_molecule_details.ordinal        0
+_pdbx_reference_molecule_details.source     0
+_pdbx_reference_molecule_details.source_id      0
+_pdbx_reference_molecule_details.text       0
+_pdbx_reference_molecule_synonyms.Structure_ID      0
+_pdbx_reference_molecule_synonyms.family_prd_id     0
+_pdbx_reference_molecule_synonyms.prd_id        0
+_pdbx_reference_molecule_synonyms.ordinal       0
+_pdbx_reference_molecule_synonyms.name      0
+_pdbx_reference_molecule_synonyms.source        0
+_pdbx_reference_molecule_synonyms.chem_comp_id      0
+_pdbx_reference_entity_subcomponents.Structure_ID       0
+_pdbx_reference_entity_subcomponents.prd_id     0
+_pdbx_reference_entity_subcomponents.seq        0
+_pdbx_reference_entity_subcomponents.chem_comp_id       0
+_pdbx_reference_molecule_annotation.Structure_ID        0
+_pdbx_reference_molecule_annotation.family_prd_id       0
+_pdbx_reference_molecule_annotation.prd_id      0
+_pdbx_reference_molecule_annotation.ordinal     0
+_pdbx_reference_molecule_annotation.text        0
+_pdbx_reference_molecule_annotation.type        0
+_pdbx_reference_molecule_annotation.support     0
+_pdbx_reference_molecule_annotation.source      0
+_pdbx_reference_molecule_annotation.chem_comp_id        0
+_pdbx_reference_molecule_features.Structure_ID      0
+_pdbx_reference_molecule_features.family_prd_id     0
+_pdbx_reference_molecule_features.prd_id        0
+_pdbx_reference_molecule_features.ordinal       0
+_pdbx_reference_molecule_features.source_ordinal        0
+_pdbx_reference_molecule_features.type      0
+_pdbx_reference_molecule_features.value     0
+_pdbx_reference_molecule_features.source        0
+_pdbx_reference_molecule_features.chem_comp_id      0
+_pdbx_reference_molecule_related_structures.Structure_ID        0
+_pdbx_reference_molecule_related_structures.family_prd_id       0
+_pdbx_reference_molecule_related_structures.ordinal     0
+_pdbx_reference_molecule_related_structures.db_name     0
+_pdbx_reference_molecule_related_structures.db_code     0
+_pdbx_reference_molecule_related_structures.db_accession        0
+_pdbx_reference_molecule_related_structures.name        0
+_pdbx_reference_molecule_related_structures.formula     0
+_pdbx_reference_molecule_related_structures.citation_id     0
+_pdbx_entity_group_list.Structure_ID        0
+_pdbx_entity_group_list.entity_group_id     0
+_pdbx_entity_group_list.name        0
+_pdbx_entity_group_list.description     0
+_pdbx_entity_group_list.prd_id      0
+_pdbx_entity_group_components.Structure_ID      0
+_pdbx_entity_group_components.entity_id     0
+_pdbx_entity_group_components.entity_group_id       0
+_pdbx_entity_group_components.id        0
+_pdbx_entity_group_components.name      0
+_pdbx_entity_group_components.beg_seq_id        0
+_pdbx_entity_group_components.end_seq_id        0
+_pdbx_entity_group_components.nonpoly_residue_number        0
+_pdbx_entity_group_instances.Structure_ID       0
+_pdbx_entity_group_instances.entity_group_id        0
+_pdbx_entity_group_instances.struct_group_id        0
+_pdbx_entity_group_instances.ordinal        0
+_pdbx_struct_group_list.Structure_ID        0
+_pdbx_struct_group_list.struct_group_id     0
+_pdbx_struct_group_list.name        0
+_pdbx_struct_group_list.type        0
+_pdbx_struct_group_list.group_enumeration_type      0
+_pdbx_struct_group_list.description     0
+_pdbx_struct_group_list.selection       0
+_pdbx_struct_group_list.selection_details       0
+_pdbx_struct_group_components.Structure_ID      0
+_pdbx_struct_group_components.ordinal       0
+_pdbx_struct_group_components.struct_group_id       0
+_pdbx_struct_group_components.PDB_model_num     0
+_pdbx_struct_group_components.auth_asym_id      0
+_pdbx_struct_group_components.auth_comp_id      0
+_pdbx_struct_group_components.auth_seq_id       0
+_pdbx_struct_group_components.PDB_ins_code      0
+_pdbx_struct_group_components.label_asym_id     0
+_pdbx_struct_group_components.label_comp_id     0
+_pdbx_struct_group_components.label_seq_id      0
+_pdbx_struct_group_components.label_alt_id      0
+_pdbx_struct_group_component_range.Structure_ID     0
+_pdbx_struct_group_component_range.ordinal      0
+_pdbx_struct_group_component_range.struct_group_id      0
+_pdbx_struct_group_component_range.PDB_model_num        0
+_pdbx_struct_group_component_range.beg_auth_asym_id     0
+_pdbx_struct_group_component_range.beg_auth_comp_id     0
+_pdbx_struct_group_component_range.beg_auth_seq_id      0
+_pdbx_struct_group_component_range.beg_PDB_ins_code     0
+_pdbx_struct_group_component_range.beg_label_asym_id        0
+_pdbx_struct_group_component_range.beg_label_comp_id        0
+_pdbx_struct_group_component_range.beg_label_seq_id     0
+_pdbx_struct_group_component_range.beg_label_alt_id     0
+_pdbx_struct_group_component_range.end_auth_asym_id     0
+_pdbx_struct_group_component_range.end_auth_comp_id     0
+_pdbx_struct_group_component_range.end_auth_seq_id      0
+_pdbx_struct_group_component_range.end_PDB_ins_code     0
+_pdbx_struct_group_component_range.end_label_asym_id        0
+_pdbx_struct_group_component_range.end_label_comp_id        0
+_pdbx_struct_group_component_range.end_label_seq_id     0
+_pdbx_struct_group_component_range.end_label_alt_id     0
+_pdbx_prd_audit.Structure_ID        0
+_pdbx_prd_audit.prd_id      0
+_pdbx_prd_audit.date        0
+_pdbx_prd_audit.annotator       0
+_pdbx_prd_audit.processing_site     0
+_pdbx_prd_audit.details     0
+_pdbx_prd_audit.action_type     0
+_pdbx_family_prd_audit.Structure_ID     0
+_pdbx_family_prd_audit.family_prd_id        0
+_pdbx_family_prd_audit.date     0
+_pdbx_family_prd_audit.annotator        0
+_pdbx_family_prd_audit.processing_site      0
+_pdbx_family_prd_audit.details      0
+_pdbx_family_prd_audit.action_type      0
+_pdbx_molecule.Structure_ID     1266
+_pdbx_molecule.prd_id       1266
+_pdbx_molecule.instance_id      1266
+_pdbx_molecule.asym_id      1266
+_pdbx_molecule_features.Structure_ID        1267
+_pdbx_molecule_features.prd_id      1267
+_pdbx_molecule_features.class       1267
+_pdbx_molecule_features.type        1267
+_pdbx_molecule_features.name        1267
+_pdbx_molecule_features.details     204
+_pdbx_distant_solvent_atoms.Structure_ID        44
+_pdbx_distant_solvent_atoms.id      44
+_pdbx_distant_solvent_atoms.PDB_model_num       44
+_pdbx_distant_solvent_atoms.auth_asym_id        44
+_pdbx_distant_solvent_atoms.auth_atom_id        44
+_pdbx_distant_solvent_atoms.auth_comp_id        44
+_pdbx_distant_solvent_atoms.auth_seq_id     44
+_pdbx_distant_solvent_atoms.PDB_ins_code        0
+_pdbx_distant_solvent_atoms.label_alt_id        0
+_pdbx_distant_solvent_atoms.label_atom_id       0
+_pdbx_distant_solvent_atoms.label_asym_id       0
+_pdbx_distant_solvent_atoms.label_comp_id       0
+_pdbx_distant_solvent_atoms.label_seq_id        0
+_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance     44
+_pdbx_distant_solvent_atoms.neighbor_ligand_distance        1
+_atom_sites.Structure_ID        103314
+_atom_sites.entry_id        103314
+_atom_sites.Cartn_transf_matrix_1_1     0
+_atom_sites.Cartn_transf_matrix_1_2     0
+_atom_sites.Cartn_transf_matrix_1_3     0
+_atom_sites.Cartn_transf_matrix_2_1     0
+_atom_sites.Cartn_transf_matrix_2_2     0
+_atom_sites.Cartn_transf_matrix_2_3     0
+_atom_sites.Cartn_transf_matrix_3_1     0
+_atom_sites.Cartn_transf_matrix_3_2     0
+_atom_sites.Cartn_transf_matrix_3_3     0
+_atom_sites.Cartn_transf_vector_1       0
+_atom_sites.Cartn_transf_vector_2       0
+_atom_sites.Cartn_transf_vector_3       0
+_atom_sites.Cartn_transform_axes        0
+_atom_sites.fract_transf_matrix_1_1     103299
+_atom_sites.fract_transf_matrix_1_2     21160
+_atom_sites.fract_transf_matrix_1_3     26546
+_atom_sites.fract_transf_matrix_2_1     160
+_atom_sites.fract_transf_matrix_2_2     103296
+_atom_sites.fract_transf_matrix_2_3     3665
+_atom_sites.fract_transf_matrix_3_1     113
+_atom_sites.fract_transf_matrix_3_2     78
+_atom_sites.fract_transf_matrix_3_3     103296
+_atom_sites.fract_transf_vector_1       110
+_atom_sites.fract_transf_vector_2       99
+_atom_sites.fract_transf_vector_3       90
+_atom_sites.solution_primary        0
+_atom_sites.solution_secondary      0
+_atom_sites.solution_hydrogens      0
+_atom_sites.special_details     0
+_atom_site_anisotrop.Structure_ID       21433
+_atom_site_anisotrop.id     21433
+_atom_site_anisotrop.B_1_1      0
+_atom_site_anisotrop.B_1_1_esd      0
+_atom_site_anisotrop.B_1_2      0
+_atom_site_anisotrop.B_1_2_esd      0
+_atom_site_anisotrop.B_1_3      0
+_atom_site_anisotrop.B_1_3_esd      0
+_atom_site_anisotrop.B_2_2      0
+_atom_site_anisotrop.B_2_2_esd      0
+_atom_site_anisotrop.B_2_3      0
+_atom_site_anisotrop.B_2_3_esd      0
+_atom_site_anisotrop.B_3_3      0
+_atom_site_anisotrop.B_3_3_esd      0
+_atom_site_anisotrop.ratio      0
+_atom_site_anisotrop.type_symbol        21433
+_atom_site_anisotrop.U_1_1      21433
+_atom_site_anisotrop.U_1_1_esd      9
+_atom_site_anisotrop.U_1_2      21248
+_atom_site_anisotrop.U_1_2_esd      10
+_atom_site_anisotrop.U_1_3      21248
+_atom_site_anisotrop.U_1_3_esd      10
+_atom_site_anisotrop.U_2_2      21418
+_atom_site_anisotrop.U_2_2_esd      10
+_atom_site_anisotrop.U_2_3      21247
+_atom_site_anisotrop.U_2_3_esd      10
+_atom_site_anisotrop.U_3_3      21418
+_atom_site_anisotrop.U_3_3_esd      9
+_atom_site_anisotrop.pdbx_auth_seq_id       21433
+_atom_site_anisotrop.pdbx_auth_alt_id       0
+_atom_site_anisotrop.pdbx_auth_asym_id      21433
+_atom_site_anisotrop.pdbx_auth_atom_id      21433
+_atom_site_anisotrop.pdbx_auth_comp_id      21433
+_atom_site_anisotrop.pdbx_label_seq_id      21156
+_atom_site_anisotrop.pdbx_label_alt_id      13538
+_atom_site_anisotrop.pdbx_label_asym_id     21432
+_atom_site_anisotrop.pdbx_label_atom_id     21432
+_atom_site_anisotrop.pdbx_label_comp_id     21432
+_atom_site_anisotrop.pdbx_PDB_ins_code      4
+_entity_src_gen.pdbx_src_id     98
+_entity_src_gen.pdbx_alt_source_flag        0
+_entity_src_gen.pdbx_beg_seq_num        98
+_entity_src_gen.pdbx_end_seq_num        98
+_entity_src_nat.pdbx_src_id     5
+_entity_src_nat.pdbx_alt_source_flag        0
+_entity_src_nat.pdbx_beg_seq_num        5
+_entity_src_nat.pdbx_end_seq_num        5
+_pdbx_entity_src_syn.pdbx_src_id        6
+_pdbx_entity_src_syn.pdbx_alt_source_flag       0
+_pdbx_entity_src_syn.pdbx_beg_seq_num       5
+_pdbx_entity_src_syn.pdbx_end_seq_num       5
+_entity_poly.pdbx_seq_one_letter_code_sample        0
+_struct_site.pdbx_auth_asym_id      90
+_struct_site.pdbx_auth_comp_id      90
+_struct_site.pdbx_auth_ins_code     0
+_struct_site.pdbx_auth_seq_id       90
+_atom_site.Structure_ID 103315
+_atom_site.auth_asym_id 96864
+_atom_site.auth_atom_id 103315
+_atom_site.auth_comp_id 103315
+_atom_site.auth_seq_id  103315
+_atom_site.B_iso_or_equiv   88814
+_atom_site.B_iso_or_equiv_esd   8
+_atom_site.Cartn_x  103315
+_atom_site.Cartn_x_esd  10
+_atom_site.Cartn_y  103315
+_atom_site.Cartn_y_esd  10
+_atom_site.Cartn_z  103315
+_atom_site.Cartn_z_esd  10
+_atom_site.group_PDB    103315
+_atom_site.id   103315
+_atom_site.label_alt_id 32842
+_atom_site.label_asym_id    103315
+_atom_site.label_atom_id    103315
+_atom_site.label_comp_id    103315
+_atom_site.label_entity_id  103315
+_atom_site.label_seq_id 97197
+_atom_site.occupancy    97155
+_atom_site.type_symbol  103315
+_atom_site.pdbx_PDB_ins_code    3615
+_atom_site.pdbx_PDB_model_num   97210
+_atom_site.pdbx_formal_charge   1188
+_chem_comp_atom.alt_atom_id  15800
+_chem_comp_atom.atom_id  15800
+_chem_comp_atom.charge  15800
+_chem_comp_atom.comp_id  15800
+_chem_comp_atom.model_Cartn_x  15800
+_chem_comp_atom.model_Cartn_y  15800
+_chem_comp_atom.model_Cartn_z  15800
+_chem_comp_atom.pdbx_align  15800
+_chem_comp_atom.pdbx_aromatic_flag  15800
+_chem_comp_atom.pdbx_component_atom_id  15800
+_chem_comp_atom.pdbx_component_comp_id  15800
+_chem_comp_atom.pdbx_leaving_atom_flag  15800
+_chem_comp_atom.pdbx_model_Cartn_x_ideal  15800
+_chem_comp_atom.pdbx_model_Cartn_y_ideal  15800
+_chem_comp_atom.pdbx_model_Cartn_z_ideal  15800
+_chem_comp_atom.pdbx_ordinal  15800
+_chem_comp_atom.pdbx_stereo_config  15800
+_chem_comp_atom.type_symbol  15800

+ 14 - 0
examples/mmcif-entity.json

@@ -0,0 +1,14 @@
+{
+    "entity": {
+        "id": "str",
+        "type": { "enum": [ "polymer", "non-polymer", "water", "macrolide" ] },
+        "src_method": "str",
+        "pdbx_description": "str",
+        "formula_weight": { "float": [ 6, 3, 1 ] },
+        "pdbx_number_of_molecules": "int",
+        "details": "str",
+        "pdbx_mutation": "str",
+        "pdbx_fragment": "str",
+        "pdbx_ec": "str"
+    }
+}

+ 6 - 5
src/mol-io/reader/cif/text/parser.ts

@@ -77,7 +77,7 @@ function eatValue(state: TokenizerState) {
 }
 
 /**
- * Eats an escaped values. Handles the "degenerate" cases as well.
+ * Eats an escaped value. Handles the "degenerate" cases as well.
  *
  * "Degenerate" cases:
  * - 'xx'x' => xx'x
@@ -520,7 +520,7 @@ async function handleLoop(tokenizer: TokenizerState, ctx: FrameContext): Promise
         return {
             hasError: true,
             errorLine: tokenizer.lineNumber,
-            errorMessage: 'The number of values for loop starting at line ' + loopLine + ' is not a multiple of the number of columns.'
+            errorMessage: `The number of values for loop starting at line ${loopLine} is not a multiple of the number of columns.`
         };
     }
 
@@ -563,7 +563,7 @@ function result(data: Data.File) {
 async function parseInternal(data: string, ctx: Computation.Context) {
     const dataBlocks: Data.Block[] = [];
     const tokenizer = createTokenizer(data, ctx);
-    let blockHeader: string = '';
+    let blockHeader = '';
 
     let blockCtx = FrameContext();
 
@@ -605,8 +605,9 @@ async function parseInternal(data: string, ctx: Computation.Context) {
                     return error(tokenizer.lineNumber, 'Save frames cannot be nested.');
                 }
                 inSaveFrame = true;
+                const safeHeader = data.substring(tokenizer.tokenStart + 5, tokenizer.tokenEnd);
                 saveCtx = FrameContext();
-                saveFrame = Data.SafeFrame(saveCtx.categoryNames, saveCtx.categories, '');
+                saveFrame = Data.SafeFrame(saveCtx.categoryNames, saveCtx.categories, safeHeader);
             }
             moveNext(tokenizer);
         // Loop
@@ -629,7 +630,7 @@ async function parseInternal(data: string, ctx: Computation.Context) {
 
     // Check if the latest save frame was closed.
     if (inSaveFrame) {
-        return error(tokenizer.lineNumber, 'Unfinished save frame (`' + saveFrame.header + '`).');
+        return error(tokenizer.lineNumber, `Unfinished save frame (${saveFrame.header}).`);
     }
 
     if (blockCtx.categoryNames.length > 0) {

+ 39 - 0
src/scripts/generate-schema.ts

@@ -0,0 +1,39 @@
+/**
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import * as argparse from 'argparse'
+import * as fs from 'fs'
+
+import { generate } from './schema-generation/generate'
+
+function generateSchema (name: string, path: string) {
+    const str = fs.readFileSync(path, 'utf8')
+    return generate(name, JSON.parse(str))
+}
+
+const parser = new argparse.ArgumentParser({
+    addHelp: true,
+    description: 'Argparse example'
+});
+parser.addArgument([ 'name' ], {
+    help: 'schema name'
+});
+parser.addArgument([ 'path' ], {
+    help: 'json schema file path'
+});
+parser.addArgument([ '--out', '-o' ], {
+    help: 'generated typescript output path'
+});
+const args = parser.parseArgs();
+
+if (args.name && args.path) {
+    const schema = generateSchema(args.name, args.path)
+    if (args.out) {
+        fs.writeFileSync(args.out, schema)
+    } else {
+        console.log(schema)
+    }
+}

+ 135 - 0
src/scripts/schema-from-mmcif-dic.ts

@@ -0,0 +1,135 @@
+/**
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import * as argparse from 'argparse'
+// import * as util from 'util'
+import * as fs from 'fs'
+import fetch from 'node-fetch'
+
+import Csv from 'mol-io/reader/csv/parser'
+import CIF from 'mol-io/reader/cif'
+import { generateSchema } from './schema-generation/cif-dic'
+import { generate } from './schema-generation/generate'
+import { Filter, mergeFilters } from './schema-generation/json-schema'
+
+async function runGenerateSchema(name: string, fieldNamesPath?: string, minCount = 0, typescript = false, out?: string) {
+    await ensureMmcifDicAvailable()
+    const comp = CIF.parseText(fs.readFileSync(MMCIF_DIC_PATH, 'utf8'))
+    const parsed = await comp();
+    if (parsed.isError) throw parsed
+
+    let filter = await getUsageCountsFilter(minCount)
+    // console.log(util.inspect(filter, {showHidden: false, depth: 3}))
+    if (fieldNamesPath) {
+        filter = mergeFilters(filter, await getFieldNamesFilter(fieldNamesPath))
+    }
+    // console.log(util.inspect(filter, {showHidden: false, depth: 3}))
+    const schema = generateSchema(parsed.result.blocks[0])
+    const output = typescript ? generate(name, schema, filter) : JSON.stringify(schema, undefined, 4)
+
+    if (out) {
+        fs.writeFileSync(out, output)
+    } else {
+        console.log(output)
+    }
+}
+
+async function getFieldNamesFilter(fieldNamesPath: string): Promise<Filter> {
+    const fieldNamesStr = fs.readFileSync(fieldNamesPath, 'utf8')
+    const parsed = await Csv(fieldNamesStr, { noColumnNames: true })();
+    if (parsed.isError) throw parser.error
+    const csvFile = parsed.result;
+
+    const fieldNamesCol = csvFile.table.getColumn('0')
+    if (!fieldNamesCol) throw 'error getting fields columns'
+    const fieldNames = fieldNamesCol.toStringArray()
+
+    const filter: Filter = {}
+    fieldNames.forEach((name, i) => {
+        const [ category, field ] = name.substr(1).split('.')
+        if (!filter[ category ]) filter[ category ] = {}
+        filter[ category ][ field ] = true
+    })
+    return filter
+}
+
+async function getUsageCountsFilter(minCount: number): Promise<Filter> {
+    const usageCountsStr = fs.readFileSync(MMCIF_USAGE_COUNTS_PATH, 'utf8')
+    const parsed = await Csv(usageCountsStr, { delimiter: ' ' })();
+    if (parsed.isError) throw parser.error
+    const csvFile = parsed.result;
+
+    const fieldNamesCol = csvFile.table.getColumn('field_name')
+    const usageCountsCol = csvFile.table.getColumn('usage_count')
+    if (!fieldNamesCol || !usageCountsCol) throw 'error getting usage columns'
+    const fieldNames = fieldNamesCol.toStringArray()
+    const usageCounts = usageCountsCol.toIntArray()
+
+    const filter: Filter = {}
+    fieldNames.forEach((name, i) => {
+        if (usageCounts[i] < minCount) return
+        const [ category, field ] = name.substr(1).split('.')
+        if (!filter[ category ]) filter[ category ] = {}
+        filter[ category ][ field ] = true
+    })
+    return filter
+}
+
+async function ensureMmcifDicAvailable() {
+    if (FORCE_MMCIF_DOWNLOAD || !fs.existsSync(MMCIF_DIC_PATH)) {
+        console.log('downloading mmcif dic...')
+        const data = await fetch(MMCIF_DIC_URL)
+        fs.writeFileSync(MMCIF_DIC_PATH, await data.text())
+        console.log('done downloading mmcif dic')
+    }
+}
+
+const MMCIF_USAGE_COUNTS_PATH = './data/mmcif-usage-counts.txt'
+const MMCIF_DIC_PATH = './build/dics/mmcif_pdbx_v50.dic'
+const MMCIF_DIC_URL = 'http://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic'
+
+const parser = new argparse.ArgumentParser({
+  addHelp: true,
+  description: 'Create schema from mmcif dictionary'
+});
+parser.addArgument([ '--name', '-n' ], {
+    defaultValue: 'mmCIF',
+    help: 'Schema name'
+});
+parser.addArgument([ '--out', '-o' ], {
+    help: 'Generated schema output path, if not given printed to stdout'
+});
+parser.addArgument([ '--typescript', '-ts' ], {
+    action: 'storeTrue',
+    help: 'Output schema as TypeScript instead of as JSON'
+});
+parser.addArgument([ '--minFieldUsageCount', '-mc' ], {
+    defaultValue: 1,
+    help: 'Minimum mmcif field usage counts'
+});
+parser.addArgument([ '--fieldNamesPath', '-fn' ], {
+    defaultValue: 1,
+    help: 'Field names to include'
+});
+parser.addArgument([ '--forceMmcifDicDownload', '-f' ], {
+    action: 'storeTrue',
+    help: 'Force download of mmcif dictionary'
+});
+interface Args {
+    name: string
+    forceMmcifDicDownload: boolean
+    fieldNamesPath: string
+    minFieldUsageCount: number
+    typescript: boolean
+    out: string
+}
+const args: Args = parser.parseArgs();
+
+const FORCE_MMCIF_DOWNLOAD = args.forceMmcifDicDownload
+
+if (args.name) {
+    runGenerateSchema(args.name, args.fieldNamesPath, args.minFieldUsageCount, args.typescript, args.out)
+}

+ 199 - 0
src/scripts/schema-generation/cif-dic.ts

@@ -0,0 +1,199 @@
+/**
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import { Database, Column } from './json-schema'
+import * as Data from 'mol-io/reader/cif/data-model'
+
+export function getFieldType (type: string, values?: string[]): Column {
+    switch (type) {
+        case 'code':
+        case 'ucode':
+            if (values && values.length) {
+                return { 'enum': values }
+            } else {
+                return 'str'
+            }
+        case 'line':
+        case 'uline':
+        case 'text':
+        case 'char':
+        case 'aliasname':
+        case 'name':
+        case 'idname':
+        case 'any':
+        case 'atcode':
+        case 'fax':
+        case 'phone':
+        case 'email':
+        case 'code30':
+        case 'ec-type':
+        case 'seq-one-letter-code':
+        case 'author':
+        case 'orcid_id':
+        case 'sequence_dep':
+        case 'pdb_id':
+        case 'emd_id':
+        // todo, consider adding specialised fields
+        case 'yyyy-mm-dd':
+        case 'yyyy-mm-dd:hh:mm':
+        case 'yyyy-mm-dd:hh:mm-flex':
+        case 'int-range':
+        case 'float-range':
+        case 'binary':
+        case 'operation_expression':
+        case 'ucode-alphanum-csv':
+        case 'point_symmetry':
+        case 'id_list':
+        case '4x3_matrix':
+        case 'point_group':
+        case 'point_group_helical':
+        case 'boolean':
+        case 'symmetry_operation':
+        case 'date_dep':
+        case 'uchar3':
+        case 'uchar1':
+        case 'url':
+        case 'symop':
+            return 'str'
+        case 'int':
+        case 'non_negative_int':
+        case 'positive_int':
+            return 'int'
+        case 'float':
+            return 'float'
+    }
+    console.log(`unknown type '${type}'`)
+    return 'str'
+}
+
+type FrameCategories = { [category: string]: Data.Frame }
+type FrameLinks = { [k: string]: string }
+
+interface FrameData {
+    categories: FrameCategories
+    links: FrameLinks
+}
+
+// get field from given or linked category
+function getField ( category: string, field: string, d: Data.Frame, ctx: FrameData): Data.Field|undefined {
+    const { categories, links } = ctx
+
+    const cat = d.categories[category]
+    if (cat) {
+        return cat.getField(field)
+    } else {
+        if (d.header in links) {
+            return getField(category, field, categories[links[d.header]], ctx)
+        } else {
+            // console.log(`no links found for '${d.header}'`)
+        }
+    }
+}
+
+function getEnums (d: Data.Frame, ctx: FrameData): string[]|undefined {
+    const value = getField('item_enumeration', 'value', d, ctx)
+    if (value) {
+        const enums: string[] = []
+        for (let i = 0; i < value.rowCount; ++i) {
+            enums.push(value.str(i))
+            // console.log(value.str(i))
+        }
+        return enums
+    } else {
+        // console.log(`item_enumeration.value not found for '${d.header}'`)
+    }
+}
+
+function getCode (d: Data.Frame, ctx: FrameData): [string, string[]]|undefined {
+    const code = getField('item_type', 'code', d, ctx)
+    if (code) {
+        let c = code.str(0)
+        let e = []
+        if (c === 'ucode') {
+            const enums = getEnums(d, ctx)
+            if (enums) e.push(...enums)
+        }
+        return [c, e]
+    } else {
+        console.log(`item_type.code not found for '${d.header}'`)
+    }
+}
+
+function getSubCategory (d: Data.Frame, ctx: FrameData): string|undefined {
+    const value = getField('item_sub_category', 'id', d, ctx)
+    if (value) {
+        return value.str(0)
+    }
+}
+
+export function generateSchema (dic: Data.Block) {
+    const schema: Database = {}
+
+    const categories: FrameCategories = {}
+    const links: FrameLinks = {}
+    const ctx = { categories, links }
+
+    dic.saveFrames.forEach(d => {
+        if (d.header[0] !== '_') return
+        categories[d.header] = d
+        const item_linked = d.categories['item_linked']
+        if (item_linked) {
+            const child_name = item_linked.getField('child_name')
+            const parent_name = item_linked.getField('parent_name')
+            if (child_name && parent_name) {
+                for (let i = 0; i < item_linked.rowCount; ++i) {
+                    const childName = child_name.str(i)
+                    const parentName = parent_name.str(i)
+                    if (childName in links && links[childName] !== parentName) {
+                        console.log(`${childName} linked to ${links[childName]}, ignoring link to ${parentName}`)
+                    }
+                    links[childName] = parentName
+                }
+            }
+        }
+    })
+
+    Object.keys(categories).forEach(fullName => {
+        const d = categories[fullName]
+        const categoryName = d.header.substring(1, d.header.indexOf('.'))
+        const itemName = d.header.substring(d.header.indexOf('.') + 1)
+        let fields
+        if (categoryName in schema) {
+            fields = schema[categoryName]
+        } else {
+            fields = {}
+            schema[categoryName] = fields
+        }
+
+        // need to use regex to check for matrix or vector items
+        // as sub_category assignment is missing for some entries
+        const subCategory = getSubCategory(d, ctx)
+        if (subCategory === 'cartesian_coordinate' || subCategory === 'fractional_coordinate') {
+            fields[itemName] = 'coord'
+        } else if (subCategory === 'matrix') {
+            fields[itemName.replace(/\[[1-3]\]\[[1-3]\]/, '')] = { 'matrix': [ 3, 3 ] }
+        } else if (subCategory === 'vector') {
+            fields[itemName.replace(/\[[1-3]\]/, '')] = { 'vector': [ 3 ] }
+        } else {
+            if (itemName.match(/\[[1-3]\]\[[1-3]\]/)) {
+                fields[itemName.replace(/\[[1-3]\]\[[1-3]\]/, '')] = { 'matrix': [ 3, 3 ] }
+                // console.log(`${d.header} should have 'matrix' _item_sub_category.id`)
+            } else if (itemName.match(/\[[1-3]\]/)) {
+                fields[itemName.replace(/\[[1-3]\]/, '')] = { 'vector': [ 3 ] }
+                // console.log(`${d.header} should have 'vector' _item_sub_category.id`)
+            } else {
+                const code = getCode(d, ctx)
+                if (code) {
+                    fields[itemName] = getFieldType(code[0], code[1])
+                } else {
+                    console.log(`could not determine code for '${d.header}'`)
+                }
+            }
+        }
+    })
+
+    return schema
+}

+ 81 - 0
src/scripts/schema-generation/generate.ts

@@ -0,0 +1,81 @@
+/**
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import { validate } from './validate'
+import { Database, getTypeAndArgs, Filter } from './json-schema'
+
+function header (name: string, importDatabasePath = 'mol-base/collections/database') {
+    return `/**
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * Code-generated '${name}' schema file
+ *
+ * @author mol-star package (src/scripts/schema-generation/generate)
+ */
+
+import { Database, Column } from '${importDatabasePath}'
+
+import Schema = Column.Schema
+
+const str = Schema.str;
+const int = Schema.int;
+const float = Schema.float;
+const coord = Schema.coord;
+
+const Aliased = Schema.Aliased;
+const Matrix = Schema.Matrix;
+const Vector = Schema.Vector;`
+}
+
+function footer (name: string) {
+    return `
+export type ${name}_Schema = typeof ${name}_Schema;
+export interface ${name}_Database extends Database<${name}_Schema> { }`
+}
+
+const value: { [k: string]: (...args: any[]) => string } = {
+    enum: function (...values: string[]) {
+        return `Aliased<'${values.join(`' | '`)}'>(str)`
+    },
+    matrix: function (rows: number, cols: number) {
+        return `Matrix(${rows}, ${cols})`
+    },
+    vector: function (dim: number) {
+        return `Vector(${dim})`
+    }
+}
+
+export function generate (name: string, schema: Database, fields?: Filter, importDatabasePath?: string) {
+    const validationResult = validate(schema)
+    if (validationResult !== true) {
+        throw validationResult
+    }
+
+    const codeLines: string[] = []
+
+    codeLines.push(`export const ${name}_Schema = {`)
+    Object.keys(schema).forEach(table => {
+        if (fields && !fields[ table ]) return
+        codeLines.push(`\t'${table}': {`)
+        const columns = schema[ table ]
+        Object.keys(columns).forEach(columnName => {
+            if (fields && !fields[ table ][ columnName ]) return
+            let typeDef
+            const fieldType = columns[ columnName ]
+            if (typeof fieldType === 'object') {
+                const { type, args } = getTypeAndArgs(fieldType)
+                typeDef = value[ type ](...args)
+            } else {
+                typeDef = fieldType
+            }
+            codeLines.push(`\t\t'${columnName}': ${typeDef},`)
+        })
+        codeLines.push('\t},')
+    })
+    codeLines.push('}')
+
+    return `${header(name, importDatabasePath)}\n\n${codeLines.join('\n')}\n${footer(name)}`
+}

+ 69 - 0
src/scripts/schema-generation/json-schema.ts

@@ -0,0 +1,69 @@
+/**
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+export interface Database {
+    [ tableName: string ]: Table
+}
+
+export interface Table {
+    [ columnName: string ]: Column
+}
+
+export type Column = IntCol | StrCol | FloatCol | CoordCol | EnumCol | VectorCol | MatrixCol
+
+type IntCol = 'int'
+type StrCol = 'str'
+type FloatCol = 'float'
+type CoordCol = 'coord'
+
+interface ComplexColumn {
+    [ fieldType: string ]: any[]
+}
+
+interface EnumCol extends ComplexColumn {
+    enum: string[]
+}
+
+interface VectorCol extends ComplexColumn {
+    vector: [ number ]
+}
+
+interface MatrixCol extends ComplexColumn {
+    matrix: [ number, number ]
+}
+
+export function getTypeAndArgs (column: ComplexColumn) {
+    const type = Object.keys(column)[0] as string
+    const args = column[ type ]
+    return { type, args }
+}
+
+export type Filter = { [ table: string ]: { [ column: string ]: true } }
+
+export function mergeFilters (...filters: Filter[]) {
+    const n = filters.length
+    const mergedFilter: Filter = {}
+    const fields: Map<string, number> = new Map()
+    filters.forEach(filter => {
+        Object.keys(filter).forEach(category => {
+            Object.keys(filter[ category ]).forEach(field => {
+                const key = `${category}.${field}`
+                const value = fields.get(key) || 0
+                fields.set(key, value + 1)
+            })
+        })
+    })
+    fields.forEach((v, k) => {
+        if (v !== n) return
+        const [categoryName, fieldName] = k.split('.')
+        if (categoryName in mergedFilter) {
+            mergedFilter[categoryName][fieldName] = true
+        } else {
+            mergedFilter[categoryName] = { fieldName: true }
+        }
+    })
+    return mergedFilter
+}

+ 86 - 0
src/scripts/schema-generation/validate.ts

@@ -0,0 +1,86 @@
+/**
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import { Database, Table, Column } from './json-schema'
+
+const SimpleColumnTypes = [ 'str', 'int', 'float', 'coord' ]
+const ComplexColumnTypes = [ 'enum', 'vector', 'matrix' ]
+
+function allTrue<T> (list: T[], fn: (e: T) => boolean) {
+    return list.reduce((a, v) => a && fn(v), true)
+}
+
+function validateColumn (column: Column): true|Error {
+    if (typeof column === 'string') {
+        if (!SimpleColumnTypes.includes(column)) {
+            return new Error(`simple column types must be one of '${SimpleColumnTypes.join(', ')}' not '${column}'`)
+        }
+        return true
+    } else if (typeof column === 'object') {
+        const keys = Object.keys(column)
+        if (keys.length !== 1) {
+            return new Error(`complex column object must have a single key`)
+        }
+        const type = keys[0]
+        const args = column[ type ]
+        if (!Array.isArray(args)) {
+            return new Error(`complex column args must be an array`)
+        }
+        switch (type) {
+            case 'enum':
+                if (!args.reduce((a, v) => a && typeof v === 'string', true)) {
+                    return new Error(`enum column must have string args`)
+                }
+                break;
+            case 'vector':
+                if (args.length !== 1 || !allTrue(args, Number.isInteger)) {
+                    return new Error(`vector column must have one integer arg`)
+                }
+                break;
+            case 'matrix':
+                if (args.length !== 2 || !allTrue(args, Number.isInteger)) {
+                    return new Error(`matrix column must have two integer args`)
+                }
+                break;
+            default:
+                return new Error(`complex column types must be one of '${ComplexColumnTypes.join(', ')}' not '${type}'`)
+        }
+        return true
+    }
+    return new Error(`columns must be of type 'object' or 'string' not '${typeof column}'`)
+}
+
+function validateTable (table: Table): true|Error {
+    if (typeof table !== 'object') {
+        return new Error(`table must be of type 'object' not '${typeof table}'`)
+    }
+    for (const columnName in table) {
+        // could check columnName with regex
+        const r = validateColumn(table[columnName])
+        if (r !== true) {
+            return new Error(`[${columnName}] ${r.message}`)
+        }
+    }
+    return true
+}
+
+function validateDatabase (database: Database): true|Error {
+    if (typeof database !== 'object') {
+        return new Error(`database must be of type 'object' not '${typeof database}'`)
+    }
+    for (const tableName in database) {
+        // could check tableName with regex
+        const r = validateTable(database[tableName])
+        if (r !== true) {
+            return new Error(`[${tableName}] ${r.message}`)
+        }
+    }
+    return true
+}
+
+export function validate (schema: any): true|Error {
+    return validateDatabase(schema)
+}

+ 29 - 0
src/scripts/validate-schema.ts

@@ -0,0 +1,29 @@
+/**
+ * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import * as argparse from 'argparse'
+import * as fs from 'fs'
+
+import { validate } from './schema-generation/validate'
+
+function runValidateSchema (path: string) {
+    const str = fs.readFileSync(path, 'utf8')
+    const result = validate(JSON.parse(str))
+    console.log(result === true ? 'valid json schema' : `invalid json schema: "${result}"`)
+}
+
+const parser = new argparse.ArgumentParser({
+    addHelp: true,
+    description: 'Validate json schema'
+});
+parser.addArgument([ 'path' ], {
+    help: 'path to json schema'
+});
+const args = parser.parseArgs();
+
+if (args.path) {
+    runValidateSchema(args.path)
+}