data_31206 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31206 _Entry.Title ; NMR Solution structure of the 2:1 Coptisine- BLM-G4 Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-09-24 _Entry.Accession_date 2024-09-24 _Entry.Last_release_date 2024-11-12 _Entry.Original_release_date 2024-11-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Wang K. B. . . 31206 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BLM promoter' . 31206 DNA . 31206 G-quadruplex . 31206 complex . 31206 coptisine . 31206 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31206 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 220 31206 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-03-31 . original BMRB . 31206 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9DQE 'BMRB Entry Tracking System' 31206 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31206 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; BLM G-quadruplex stabilizers synergize with PARP inhibitor to kill BRCA wild-type colon cancer cells ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Wang Y. Y. . . 31206 1 2 Y. Bian Y. T. . . 31206 1 3 X. Chen X. Y. . . 31206 1 4 J. Li J. Z. . . 31206 1 5 Y. Liu Y. S. . . 31206 1 6 L. Kong L. Y. . . 31206 1 7 K. Wang K. B. . . 31206 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31206 _Assembly.ID 1 _Assembly.Name "DNA (5'-D(*TP*GP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*GP*AP*GP*GP*GP*AP*AP*T*(LIG)*(LIG))-3')" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A X yes . . . . . . 31206 1 2 unit_2 2 $entity_KPT B Y no . . . . . . 31206 1 3 unit_3 2 $entity_KPT C Z no . . . . . . 31206 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31206 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TGAGGGAGGGCGGGAGGGAA T ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6698.320 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DT . 31206 1 2 . DG . 31206 1 3 . DA . 31206 1 4 . DG . 31206 1 5 . DG . 31206 1 6 . DG . 31206 1 7 . DA . 31206 1 8 . DG . 31206 1 9 . DG . 31206 1 10 . DG . 31206 1 11 . DC . 31206 1 12 . DG . 31206 1 13 . DG . 31206 1 14 . DG . 31206 1 15 . DA . 31206 1 16 . DG . 31206 1 17 . DG . 31206 1 18 . DG . 31206 1 19 . DA . 31206 1 20 . DA . 31206 1 21 . DT . 31206 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DT 1 1 31206 1 . DG 2 2 31206 1 . DA 3 3 31206 1 . DG 4 4 31206 1 . DG 5 5 31206 1 . DG 6 6 31206 1 . DA 7 7 31206 1 . DG 8 8 31206 1 . DG 9 9 31206 1 . DG 10 10 31206 1 . DC 11 11 31206 1 . DG 12 12 31206 1 . DG 13 13 31206 1 . DG 14 14 31206 1 . DA 15 15 31206 1 . DG 16 16 31206 1 . DG 17 17 31206 1 . DG 18 18 31206 1 . DA 19 19 31206 1 . DA 20 20 31206 1 . DT 21 21 31206 1 stop_ save_ save_entity_KPT _Entity.Sf_category entity _Entity.Sf_framecode entity_KPT _Entity.Entry_ID 31206 _Entity.ID 2 _Entity.BMRB_code KPT _Entity.Name entity_KPT _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID KPT _Entity.Nonpolymer_comp_label $chem_comp_KPT _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 320.319 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium BMRB 31206 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium BMRB 31206 2 KPT 'Three letter code' 31206 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 KPT $chem_comp_KPT 31206 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31206 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 31206 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 31206 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 31206 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_KPT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_KPT _Chem_comp.Entry_ID 31206 _Chem_comp.ID KPT _Chem_comp.Provenance PDB _Chem_comp.Name 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code KPT _Chem_comp.PDB_code KPT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code KPT _Chem_comp.Number_atoms_all 38 _Chem_comp.Number_atoms_nh 24 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms Coptisine _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C19 H14 N O4' _Chem_comp.Formula_weight 320.319 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 4D9X _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1 SMILES CACTVS 3.370 31206 KPT C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1 SMILES_CANONICAL CACTVS 3.370 31206 KPT InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 InChI InChI 1.03 31206 KPT O1c3c(OC1)c2c[n+]6c(cc2cc3)c5cc4OCOc4cc5CC6 SMILES ACDLabs 12.01 31206 KPT XYHOBCMEDLZUMP-UHFFFAOYSA-N InChIKey InChI 1.03 31206 KPT c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2 SMILES 'OpenEye OEToolkits' 1.7.6 31206 KPT c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2 SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 31206 KPT stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium 'SYSTEMATIC NAME' ACDLabs 12.01 31206 KPT stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C36 C36 C36 C36 . C . . N 0 . . . 1 N N . . . . -2.558 . -10.842 . 12.762 . -5.993 0.683 0.184 1 . 31206 KPT O4 O4 O4 O4 . O . . N 0 . . . 1 N N . . . . -2.078 . -11.538 . 11.593 . -5.877 -0.738 -0.033 2 . 31206 KPT O3 O3 O3 O3 . O . . N 0 . . . 1 N N . . . . -2.785 . -9.499 . 12.293 . -4.723 1.208 -0.255 3 . 31206 KPT C18 C18 C18 C18 . C . . N 0 . . . 1 Y N . . . . -2.588 . -9.477 . 10.942 . -3.844 0.193 -0.114 4 . 31206 KPT C13 C13 C13 C13 . C . . N 0 . . . 1 Y N . . . . -2.758 . -8.427 . 10.054 . -2.438 0.199 -0.092 5 . 31206 KPT C14 C14 C14 C14 . C . . N 0 . . . 1 Y N . . . . -3.184 . -7.173 . 10.479 . -1.673 1.358 -0.232 6 . 31206 KPT C17 C17 C17 C17 . C . . N 0 . . . 1 Y N . . . . -2.164 . -10.703 . 10.520 . -4.550 -1.006 0.023 7 . 31206 KPT C16 C16 C16 C16 . C . . N 0 . . . 1 Y N . . . . -1.880 . -10.971 . 9.184 . -3.894 -2.232 0.186 8 . 31206 KPT C15 C15 C15 C15 . C . . N 0 . . . 1 Y N . . . . -2.048 . -9.924 . 8.272 . -2.527 -2.242 0.211 9 . 31206 KPT C12 C12 C12 C12 . C . . N 0 . . . 1 Y N . . . . -2.489 . -8.664 . 8.706 . -1.783 -1.055 0.081 10 . 31206 KPT C11 C11 C11 C11 . C . . N 0 . . . 1 Y N . . . . -2.652 . -7.621 . 7.801 . -0.378 -1.051 0.119 11 . 31206 KPT C10 C10 C10 C10 . C . . N 0 . . . 1 Y N . . . . -3.086 . -6.374 . 8.268 . 0.295 0.150 -0.012 12 . 31206 KPT N N N N . N . . N 1 . . . 1 Y N . . . . -3.350 . -6.181 . 9.587 . -0.356 1.304 -0.208 13 . 31206 KPT C9 C9 C9 C9 . C . . N 0 . . . 1 N N . . . . -3.806 . -4.880 . 10.102 . 0.384 2.549 -0.438 14 . 31206 KPT C8 C8 C8 C8 . C . . N 0 . . . 1 N N . . . . -3.268 . -3.707 . 9.282 . 1.630 2.617 0.439 15 . 31206 KPT C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . -3.290 . -5.338 . 7.358 . 1.780 0.151 0.057 16 . 31206 KPT C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . -3.414 . -4.015 . 7.807 . 2.444 1.359 0.263 17 . 31206 KPT C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . -3.657 . -2.975 . 6.904 . 3.827 1.425 0.319 18 . 31206 KPT C7 C7 C7 C7 . C . . N 0 . . . 1 Y N . . . . -3.449 . -5.648 . 5.999 . 2.480 -1.050 -0.096 19 . 31206 KPT C3 C3 C3 C3 . C . . N 0 . . . 1 Y N . . . . -3.684 . -4.598 . 5.121 . 3.864 -0.985 -0.043 20 . 31206 KPT C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . -3.787 . -3.313 . 5.558 . 4.529 0.235 0.167 21 . 31206 KPT O2 O2 O2 O2 . O . . N 0 . . . 1 N N . . . . -4.020 . -2.500 . 4.487 . 5.862 0.008 0.171 22 . 31206 KPT O1 O1 O1 O1 . O . . N 0 . . . 1 N N . . . . -3.859 . -4.639 . 3.766 . 4.785 -1.970 -0.152 23 . 31206 KPT C1 C1 C1 C1 . C . . N 0 . . . 1 N N . . . . -4.157 . -3.310 . 3.303 . 6.035 -1.294 -0.426 24 . 31206 KPT H1 H1 H1 H1 . H . . N 0 . . . 1 N N . . . . -3.492 . -11.292 . 13.130 . -6.805 1.096 -0.414 25 . 31206 KPT H21 H21 H21 H21 . H . . N 0 . . . 1 N N . . . . -1.804 . -10.855 . 13.563 . -6.150 0.897 1.241 26 . 31206 KPT H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . -3.381 . -6.996 . 11.526 . -2.165 2.310 -0.361 27 . 31206 KPT H3 H3 H3 H3 . H . . N 0 . . . 1 N N . . . . -1.544 . -11.947 . 8.865 . -4.455 -3.149 0.289 28 . 31206 KPT H4 H4 H4 H4 . H . . N 0 . . . 1 N N . . . . -1.837 . -10.086 . 7.225 . -2.007 -3.181 0.334 29 . 31206 KPT H5 H5 H5 H5 . H . . N 0 . . . 1 N N . . . . -2.447 . -7.771 . 6.751 . 0.169 -1.973 0.248 30 . 31206 KPT H6 H6 H6 H6 . H . . N 0 . . . 1 N N . . . . -4.905 . -4.855 . 10.075 . 0.681 2.600 -1.485 31 . 31206 KPT H7 H7 H7 H7 . H . . N 0 . . . 1 N N . . . . -3.462 . -4.771 . 11.141 . -0.261 3.397 -0.207 32 . 31206 KPT H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . -3.837 . -2.798 . 9.525 . 2.230 3.480 0.151 33 . 31206 KPT H9 H9 H9 H9 . H . . N 0 . . . 1 N N . . . . -2.206 . -3.549 . 9.520 . 1.334 2.714 1.484 34 . 31206 KPT H10 H10 H10 H10 . H . . N 0 . . . 1 N N . . . . -3.741 . -1.951 . 7.236 . 4.339 2.363 0.473 35 . 31206 KPT H11 H11 H11 H11 . H . . N 0 . . . 1 N N . . . . -3.391 . -6.668 . 5.648 . 1.966 -1.987 -0.250 36 . 31206 KPT H12 H12 H12 H12 . H . . N 0 . . . 1 N N . . . . -3.444 . -2.995 . 2.527 . 6.201 -1.219 -1.501 37 . 31206 KPT H14 H14 H14 H14 . H . . N 0 . . . 1 N N . . . . -5.181 . -3.253 . 2.905 . 6.864 -1.814 0.054 38 . 31206 KPT stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O4 C36 N N 1 . 31206 KPT 2 . SING O3 C36 N N 2 . 31206 KPT 3 . SING C18 O3 N N 3 . 31206 KPT 4 . SING C13 C14 Y N 4 . 31206 KPT 5 . SING C13 C18 Y N 5 . 31206 KPT 6 . DOUB C17 C18 Y N 6 . 31206 KPT 7 . SING C17 O4 N N 7 . 31206 KPT 8 . SING C16 C17 Y N 8 . 31206 KPT 9 . SING C15 C12 Y N 9 . 31206 KPT 10 . DOUB C15 C16 Y N 10 . 31206 KPT 11 . DOUB C12 C13 Y N 11 . 31206 KPT 12 . DOUB C11 C10 Y N 12 . 31206 KPT 13 . SING C11 C12 Y N 13 . 31206 KPT 14 . SING C10 N Y N 14 . 31206 KPT 15 . SING N C9 N N 15 . 31206 KPT 16 . DOUB N C14 Y N 16 . 31206 KPT 17 . SING C8 C9 N N 17 . 31206 KPT 18 . SING C6 C5 Y N 18 . 31206 KPT 19 . SING C6 C10 N N 19 . 31206 KPT 20 . SING C5 C8 N N 20 . 31206 KPT 21 . DOUB C4 C5 Y N 21 . 31206 KPT 22 . DOUB C7 C6 Y N 22 . 31206 KPT 23 . DOUB C3 C2 Y N 23 . 31206 KPT 24 . SING C3 C7 Y N 24 . 31206 KPT 25 . SING C2 C4 Y N 25 . 31206 KPT 26 . SING O2 C2 N N 26 . 31206 KPT 27 . SING O1 C3 N N 27 . 31206 KPT 28 . SING C1 O1 N N 28 . 31206 KPT 29 . SING C1 O2 N N 29 . 31206 KPT 30 . SING C36 H1 N N 30 . 31206 KPT 31 . SING C36 H21 N N 31 . 31206 KPT 32 . SING C14 H2 N N 32 . 31206 KPT 33 . SING C16 H3 N N 33 . 31206 KPT 34 . SING C15 H4 N N 34 . 31206 KPT 35 . SING C11 H5 N N 35 . 31206 KPT 36 . SING C9 H6 N N 36 . 31206 KPT 37 . SING C9 H7 N N 37 . 31206 KPT 38 . SING C8 H8 N N 38 . 31206 KPT 39 . SING C8 H9 N N 39 . 31206 KPT 40 . SING C4 H10 N N 40 . 31206 KPT 41 . SING C7 H11 N N 41 . 31206 KPT 42 . SING C1 H12 N N 42 . 31206 KPT 43 . SING C1 H14 N N 43 . 31206 KPT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31206 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.62 mM None BLM_Pu21T_COP, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BLM_Pu21T_COP 'natural abundance' . . 1 $entity_1 . . 1.62 . . mM . . . . 31206 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31206 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 31206 1 pH 7 . pH 31206 1 pressure 1 . atm 31206 1 temperature 288 . K 31206 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31206 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 31206 2 pH 7 . pH 31206 2 pressure 1 . atm 31206 2 temperature 298 . K 31206 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 31206 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 31206 3 pH 7 . pH 31206 3 pressure 1 . atm 31206 3 temperature 308 . K 31206 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31206 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 31206 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31206 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31206 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31206 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31206 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31206 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31206 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31206 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31206 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Woonghee Lee' . . 31206 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31206 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31206 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'QCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31206 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE II' . 600 . . . 31206 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 31206 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31206 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31206 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31206 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31206 1 5 '2D DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31206 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31206 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl carbons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31206 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31206 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 31206 1 2 '2D 1H-1H NOESY' . . . 31206 1 3 '2D 1H-1H NOESY' . . . 31206 1 4 '2D 1H-13C HSQC' . . . 31206 1 5 '2D DQF-COSY' . . . 31206 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DT H1' H 1 5.77 . . . . . . . A 1 DT H1' . 31206 1 2 . 1 . 1 1 1 DT H2' H 1 1.59 . . . . . . . A 1 DT H2' . 31206 1 3 . 1 . 1 1 1 DT H2'' H 1 2.02 . . . . . . . A 1 DT H2'' . 31206 1 4 . 1 . 1 1 1 DT H3' H 1 4.44 . . . . . . . A 1 DT H3' . 31206 1 5 . 1 . 1 1 1 DT H4' H 1 3.81 . . . . . . . A 1 DT H4' . 31206 1 6 . 1 . 1 1 1 DT H5' H 1 3.47 . . . . . . . A 1 DT H5' . 31206 1 7 . 1 . 1 1 1 DT H5'' H 1 3.47 . . . . . . . A 1 DT H5'' . 31206 1 8 . 1 . 1 1 1 DT H6 H 1 7.23 . . . . . . . A 1 DT H6 . 31206 1 9 . 1 . 1 1 1 DT H71 H 1 1.65 . . . . . . . A 1 DT H71 . 31206 1 10 . 1 . 1 1 1 DT H72 H 1 1.65 . . . . . . . A 1 DT H72 . 31206 1 11 . 1 . 1 1 1 DT H73 H 1 1.65 . . . . . . . A 1 DT H73 . 31206 1 12 . 1 . 1 2 2 DG H1' H 1 5.57 . . . . . . . A 2 DG H1' . 31206 1 13 . 1 . 1 2 2 DG H2' H 1 2.31 . . . . . . . A 2 DG H2' . 31206 1 14 . 1 . 1 2 2 DG H2'' H 1 2.25 . . . . . . . A 2 DG H2'' . 31206 1 15 . 1 . 1 2 2 DG H3' H 1 4.74 . . . . . . . A 2 DG H3' . 31206 1 16 . 1 . 1 2 2 DG H4' H 1 4.05 . . . . . . . A 2 DG H4' . 31206 1 17 . 1 . 1 2 2 DG H5' H 1 3.65 . . . . . . . A 2 DG H5' . 31206 1 18 . 1 . 1 2 2 DG H5'' H 1 3.76 . . . . . . . A 2 DG H5'' . 31206 1 19 . 1 . 1 2 2 DG H8 H 1 7.53 . . . . . . . A 2 DG H8 . 31206 1 20 . 1 . 1 3 3 DA H1' H 1 6.27 . . . . . . . A 3 DA H1' . 31206 1 21 . 1 . 1 3 3 DA H2 H 1 7.92 . . . . . . . A 3 DA H2 . 31206 1 22 . 1 . 1 3 3 DA H2' H 1 2.75 . . . . . . . A 3 DA H2' . 31206 1 23 . 1 . 1 3 3 DA H2'' H 1 2.78 . . . . . . . A 3 DA H2'' . 31206 1 24 . 1 . 1 3 3 DA H3' H 1 5.00 . . . . . . . A 3 DA H3' . 31206 1 25 . 1 . 1 3 3 DA H4' H 1 4.26 . . . . . . . A 3 DA H4' . 31206 1 26 . 1 . 1 3 3 DA H5' H 1 4.03 . . . . . . . A 3 DA H5' . 31206 1 27 . 1 . 1 3 3 DA H5'' H 1 4.04 . . . . . . . A 3 DA H5'' . 31206 1 28 . 1 . 1 3 3 DA H8 H 1 8.23 . . . . . . . A 3 DA H8 . 31206 1 29 . 1 . 1 4 4 DG H1 H 1 11.46 . . . . . . . A 4 DG H1 . 31206 1 30 . 1 . 1 4 4 DG H1' H 1 6.07 . . . . . . . A 4 DG H1' . 31206 1 31 . 1 . 1 4 4 DG H2' H 1 2.77 . . . . . . . A 4 DG H2' . 31206 1 32 . 1 . 1 4 4 DG H2'' H 1 3.00 . . . . . . . A 4 DG H2'' . 31206 1 33 . 1 . 1 4 4 DG H3' H 1 5.03 . . . . . . . A 4 DG H3' . 31206 1 34 . 1 . 1 4 4 DG H4' H 1 4.53 . . . . . . . A 4 DG H4' . 31206 1 35 . 1 . 1 4 4 DG H5' H 1 4.20 . . . . . . . A 4 DG H5' . 31206 1 36 . 1 . 1 4 4 DG H5'' H 1 4.22 . . . . . . . A 4 DG H5'' . 31206 1 37 . 1 . 1 4 4 DG H8 H 1 8.10 . . . . . . . A 4 DG H8 . 31206 1 38 . 1 . 1 5 5 DG H1 H 1 11.14 . . . . . . . A 5 DG H1 . 31206 1 39 . 1 . 1 5 5 DG H1' H 1 6.17 . . . . . . . A 5 DG H1' . 31206 1 40 . 1 . 1 5 5 DG H2' H 1 2.63 . . . . . . . A 5 DG H2' . 31206 1 41 . 1 . 1 5 5 DG H2'' H 1 2.94 . . . . . . . A 5 DG H2'' . 31206 1 42 . 1 . 1 5 5 DG H3' H 1 5.05 . . . . . . . A 5 DG H3' . 31206 1 43 . 1 . 1 5 5 DG H4' H 1 4.58 . . . . . . . A 5 DG H4' . 31206 1 44 . 1 . 1 5 5 DG H5' H 1 4.33 . . . . . . . A 5 DG H5' . 31206 1 45 . 1 . 1 5 5 DG H5'' H 1 4.32 . . . . . . . A 5 DG H5'' . 31206 1 46 . 1 . 1 5 5 DG H8 H 1 7.70 . . . . . . . A 5 DG H8 . 31206 1 47 . 1 . 1 6 6 DG H1 H 1 10.86 . . . . . . . A 6 DG H1 . 31206 1 48 . 1 . 1 6 6 DG H1' H 1 6.44 . . . . . . . A 6 DG H1' . 31206 1 49 . 1 . 1 6 6 DG H2' H 1 2.79 . . . . . . . A 6 DG H2' . 31206 1 50 . 1 . 1 6 6 DG H2'' H 1 2.68 . . . . . . . A 6 DG H2'' . 31206 1 51 . 1 . 1 6 6 DG H3' H 1 5.19 . . . . . . . A 6 DG H3' . 31206 1 52 . 1 . 1 6 6 DG H4' H 1 4.68 . . . . . . . A 6 DG H4' . 31206 1 53 . 1 . 1 6 6 DG H5' H 1 4.40 . . . . . . . A 6 DG H5' . 31206 1 54 . 1 . 1 6 6 DG H5'' H 1 4.35 . . . . . . . A 6 DG H5'' . 31206 1 55 . 1 . 1 6 6 DG H8 H 1 7.77 . . . . . . . A 6 DG H8 . 31206 1 56 . 1 . 1 7 7 DA H1' H 1 6.72 . . . . . . . A 7 DA H1' . 31206 1 57 . 1 . 1 7 7 DA H2 H 1 8.37 . . . . . . . A 7 DA H2 . 31206 1 58 . 1 . 1 7 7 DA H2' H 1 2.96 . . . . . . . A 7 DA H2' . 31206 1 59 . 1 . 1 7 7 DA H2'' H 1 2.96 . . . . . . . A 7 DA H2'' . 31206 1 60 . 1 . 1 7 7 DA H3' H 1 5.26 . . . . . . . A 7 DA H3' . 31206 1 61 . 1 . 1 7 7 DA H4' H 1 4.73 . . . . . . . A 7 DA H4' . 31206 1 62 . 1 . 1 7 7 DA H5' H 1 4.34 . . . . . . . A 7 DA H5' . 31206 1 63 . 1 . 1 7 7 DA H5'' H 1 4.36 . . . . . . . A 7 DA H5'' . 31206 1 64 . 1 . 1 7 7 DA H8 H 1 8.60 . . . . . . . A 7 DA H8 . 31206 1 65 . 1 . 1 8 8 DG H1 H 1 11.39 . . . . . . . A 8 DG H1 . 31206 1 66 . 1 . 1 8 8 DG H1' H 1 6.16 . . . . . . . A 8 DG H1' . 31206 1 67 . 1 . 1 8 8 DG H2' H 1 2.47 . . . . . . . A 8 DG H2' . 31206 1 68 . 1 . 1 8 8 DG H2'' H 1 2.95 . . . . . . . A 8 DG H2'' . 31206 1 69 . 1 . 1 8 8 DG H3' H 1 5.18 . . . . . . . A 8 DG H3' . 31206 1 70 . 1 . 1 8 8 DG H4' H 1 4.54 . . . . . . . A 8 DG H4' . 31206 1 71 . 1 . 1 8 8 DG H5' H 1 4.35 . . . . . . . A 8 DG H5' . 31206 1 72 . 1 . 1 8 8 DG H5'' H 1 4.43 . . . . . . . A 8 DG H5'' . 31206 1 73 . 1 . 1 8 8 DG H8 H 1 7.99 . . . . . . . A 8 DG H8 . 31206 1 74 . 1 . 1 9 9 DG H1 H 1 11.17 . . . . . . . A 9 DG H1 . 31206 1 75 . 1 . 1 9 9 DG H1' H 1 6.18 . . . . . . . A 9 DG H1' . 31206 1 76 . 1 . 1 9 9 DG H2' H 1 2.64 . . . . . . . A 9 DG H2' . 31206 1 77 . 1 . 1 9 9 DG H2'' H 1 2.94 . . . . . . . A 9 DG H2'' . 31206 1 78 . 1 . 1 9 9 DG H3' H 1 5.11 . . . . . . . A 9 DG H3' . 31206 1 79 . 1 . 1 9 9 DG H4' H 1 4.60 . . . . . . . A 9 DG H4' . 31206 1 80 . 1 . 1 9 9 DG H5' H 1 4.31 . . . . . . . A 9 DG H5' . 31206 1 81 . 1 . 1 9 9 DG H5'' H 1 4.42 . . . . . . . A 9 DG H5'' . 31206 1 82 . 1 . 1 9 9 DG H8 H 1 7.86 . . . . . . . A 9 DG H8 . 31206 1 83 . 1 . 1 10 10 DG H1 H 1 11.07 . . . . . . . A 10 DG H1 . 31206 1 84 . 1 . 1 10 10 DG H1' H 1 6.48 . . . . . . . A 10 DG H1' . 31206 1 85 . 1 . 1 10 10 DG H2' H 1 2.82 . . . . . . . A 10 DG H2' . 31206 1 86 . 1 . 1 10 10 DG H2'' H 1 2.68 . . . . . . . A 10 DG H2'' . 31206 1 87 . 1 . 1 10 10 DG H3' H 1 5.18 . . . . . . . A 10 DG H3' . 31206 1 88 . 1 . 1 10 10 DG H4' H 1 4.67 . . . . . . . A 10 DG H4' . 31206 1 89 . 1 . 1 10 10 DG H5' H 1 4.35 . . . . . . . A 10 DG H5' . 31206 1 90 . 1 . 1 10 10 DG H5'' H 1 4.42 . . . . . . . A 10 DG H5'' . 31206 1 91 . 1 . 1 10 10 DG H8 H 1 7.86 . . . . . . . A 10 DG H8 . 31206 1 92 . 1 . 1 11 11 DC H1' H 1 6.54 . . . . . . . A 11 DC H1' . 31206 1 93 . 1 . 1 11 11 DC H2' H 1 2.46 . . . . . . . A 11 DC H2' . 31206 1 94 . 1 . 1 11 11 DC H2'' H 1 2.78 . . . . . . . A 11 DC H2'' . 31206 1 95 . 1 . 1 11 11 DC H3' H 1 5.13 . . . . . . . A 11 DC H3' . 31206 1 96 . 1 . 1 11 11 DC H4' H 1 4.65 . . . . . . . A 11 DC H4' . 31206 1 97 . 1 . 1 11 11 DC H5 H 1 6.23 . . . . . . . A 11 DC H5 . 31206 1 98 . 1 . 1 11 11 DC H5' H 1 4.42 . . . . . . . A 11 DC H5' . 31206 1 99 . 1 . 1 11 11 DC H5'' H 1 4.34 . . . . . . . A 11 DC H5'' . 31206 1 100 . 1 . 1 11 11 DC H6 H 1 8.07 . . . . . . . A 11 DC H6 . 31206 1 101 . 1 . 1 12 12 DG H1 H 1 11.42 . . . . . . . A 12 DG H1 . 31206 1 102 . 1 . 1 12 12 DG H1' H 1 6.17 . . . . . . . A 12 DG H1' . 31206 1 103 . 1 . 1 12 12 DG H2' H 1 2.46 . . . . . . . A 12 DG H2' . 31206 1 104 . 1 . 1 12 12 DG H2'' H 1 2.97 . . . . . . . A 12 DG H2'' . 31206 1 105 . 1 . 1 12 12 DG H3' H 1 5.19 . . . . . . . A 12 DG H3' . 31206 1 106 . 1 . 1 12 12 DG H4' H 1 4.54 . . . . . . . A 12 DG H4' . 31206 1 107 . 1 . 1 12 12 DG H5' H 1 4.32 . . . . . . . A 12 DG H5' . 31206 1 108 . 1 . 1 12 12 DG H5'' H 1 4.41 . . . . . . . A 12 DG H5'' . 31206 1 109 . 1 . 1 12 12 DG H8 H 1 7.99 . . . . . . . A 12 DG H8 . 31206 1 110 . 1 . 1 13 13 DG H1 H 1 11.10 . . . . . . . A 13 DG H1 . 31206 1 111 . 1 . 1 13 13 DG H1' H 1 6.19 . . . . . . . A 13 DG H1' . 31206 1 112 . 1 . 1 13 13 DG H2' H 1 2.68 . . . . . . . A 13 DG H2' . 31206 1 113 . 1 . 1 13 13 DG H2'' H 1 2.96 . . . . . . . A 13 DG H2'' . 31206 1 114 . 1 . 1 13 13 DG H3' H 1 5.13 . . . . . . . A 13 DG H3' . 31206 1 115 . 1 . 1 13 13 DG H4' H 1 4.61 . . . . . . . A 13 DG H4' . 31206 1 116 . 1 . 1 13 13 DG H5' H 1 4.32 . . . . . . . A 13 DG H5' . 31206 1 117 . 1 . 1 13 13 DG H5'' H 1 4.42 . . . . . . . A 13 DG H5'' . 31206 1 118 . 1 . 1 13 13 DG H8 H 1 7.88 . . . . . . . A 13 DG H8 . 31206 1 119 . 1 . 1 14 14 DG H1 H 1 10.68 . . . . . . . A 14 DG H1 . 31206 1 120 . 1 . 1 14 14 DG H1' H 1 6.50 . . . . . . . A 14 DG H1' . 31206 1 121 . 1 . 1 14 14 DG H2' H 1 2.83 . . . . . . . A 14 DG H2' . 31206 1 122 . 1 . 1 14 14 DG H2'' H 1 2.69 . . . . . . . A 14 DG H2'' . 31206 1 123 . 1 . 1 14 14 DG H3' H 1 5.20 . . . . . . . A 14 DG H3' . 31206 1 124 . 1 . 1 14 14 DG H4' H 1 4.70 . . . . . . . A 14 DG H4' . 31206 1 125 . 1 . 1 14 14 DG H5' H 1 4.36 . . . . . . . A 14 DG H5' . 31206 1 126 . 1 . 1 14 14 DG H5'' H 1 4.40 . . . . . . . A 14 DG H5'' . 31206 1 127 . 1 . 1 14 14 DG H8 H 1 7.88 . . . . . . . A 14 DG H8 . 31206 1 128 . 1 . 1 15 15 DA H1' H 1 6.72 . . . . . . . A 15 DA H1' . 31206 1 129 . 1 . 1 15 15 DA H2 H 1 8.37 . . . . . . . A 15 DA H2 . 31206 1 130 . 1 . 1 15 15 DA H2' H 1 2.97 . . . . . . . A 15 DA H2' . 31206 1 131 . 1 . 1 15 15 DA H2'' H 1 2.97 . . . . . . . A 15 DA H2'' . 31206 1 132 . 1 . 1 15 15 DA H3' H 1 5.27 . . . . . . . A 15 DA H3' . 31206 1 133 . 1 . 1 15 15 DA H4' H 1 4.74 . . . . . . . A 15 DA H4' . 31206 1 134 . 1 . 1 15 15 DA H5' H 1 4.34 . . . . . . . A 15 DA H5' . 31206 1 135 . 1 . 1 15 15 DA H5'' H 1 4.36 . . . . . . . A 15 DA H5'' . 31206 1 136 . 1 . 1 15 15 DA H8 H 1 8.60 . . . . . . . A 15 DA H8 . 31206 1 137 . 1 . 1 16 16 DG H1 H 1 11.30 . . . . . . . A 16 DG H1 . 31206 1 138 . 1 . 1 16 16 DG H1' H 1 6.03 . . . . . . . A 16 DG H1' . 31206 1 139 . 1 . 1 16 16 DG H2' H 1 2.39 . . . . . . . A 16 DG H2' . 31206 1 140 . 1 . 1 16 16 DG H2'' H 1 2.84 . . . . . . . A 16 DG H2'' . 31206 1 141 . 1 . 1 16 16 DG H3' H 1 5.18 . . . . . . . A 16 DG H3' . 31206 1 142 . 1 . 1 16 16 DG H4' H 1 4.54 . . . . . . . A 16 DG H4' . 31206 1 143 . 1 . 1 16 16 DG H5' H 1 4.35 . . . . . . . A 16 DG H5' . 31206 1 144 . 1 . 1 16 16 DG H5'' H 1 4.43 . . . . . . . A 16 DG H5'' . 31206 1 145 . 1 . 1 16 16 DG H8 H 1 7.93 . . . . . . . A 16 DG H8 . 31206 1 146 . 1 . 1 17 17 DG H1 H 1 11.20 . . . . . . . A 17 DG H1 . 31206 1 147 . 1 . 1 17 17 DG H1' H 1 6.03 . . . . . . . A 17 DG H1' . 31206 1 148 . 1 . 1 17 17 DG H2' H 1 2.72 . . . . . . . A 17 DG H2' . 31206 1 149 . 1 . 1 17 17 DG H2'' H 1 2.73 . . . . . . . A 17 DG H2'' . 31206 1 150 . 1 . 1 17 17 DG H3' H 1 5.13 . . . . . . . A 17 DG H3' . 31206 1 151 . 1 . 1 17 17 DG H4' H 1 4.58 . . . . . . . A 17 DG H4' . 31206 1 152 . 1 . 1 17 17 DG H5' H 1 4.32 . . . . . . . A 17 DG H5' . 31206 1 153 . 1 . 1 17 17 DG H5'' H 1 4.24 . . . . . . . A 17 DG H5'' . 31206 1 154 . 1 . 1 17 17 DG H8 H 1 7.91 . . . . . . . A 17 DG H8 . 31206 1 155 . 1 . 1 18 18 DG H1 H 1 10.62 . . . . . . . A 18 DG H1 . 31206 1 156 . 1 . 1 18 18 DG H1' H 1 6.14 . . . . . . . A 18 DG H1' . 31206 1 157 . 1 . 1 18 18 DG H2' H 1 2.16 . . . . . . . A 18 DG H2' . 31206 1 158 . 1 . 1 18 18 DG H2'' H 1 2.37 . . . . . . . A 18 DG H2'' . 31206 1 159 . 1 . 1 18 18 DG H3' H 1 5.05 . . . . . . . A 18 DG H3' . 31206 1 160 . 1 . 1 18 18 DG H4' H 1 4.51 . . . . . . . A 18 DG H4' . 31206 1 161 . 1 . 1 18 18 DG H5' H 1 4.31 . . . . . . . A 18 DG H5' . 31206 1 162 . 1 . 1 18 18 DG H5'' H 1 4.26 . . . . . . . A 18 DG H5'' . 31206 1 163 . 1 . 1 18 18 DG H8 H 1 7.45 . . . . . . . A 18 DG H8 . 31206 1 164 . 1 . 1 19 19 DA H1' H 1 6.04 . . . . . . . A 19 DA H1' . 31206 1 165 . 1 . 1 19 19 DA H2 H 1 7.44 . . . . . . . A 19 DA H2 . 31206 1 166 . 1 . 1 19 19 DA H2' H 1 2.64 . . . . . . . A 19 DA H2' . 31206 1 167 . 1 . 1 19 19 DA H2'' H 1 2.68 . . . . . . . A 19 DA H2'' . 31206 1 168 . 1 . 1 19 19 DA H3' H 1 5.01 . . . . . . . A 19 DA H3' . 31206 1 169 . 1 . 1 19 19 DA H4' H 1 4.46 . . . . . . . A 19 DA H4' . 31206 1 170 . 1 . 1 19 19 DA H5' H 1 4.11 . . . . . . . A 19 DA H5' . 31206 1 171 . 1 . 1 19 19 DA H5'' H 1 4.21 . . . . . . . A 19 DA H5'' . 31206 1 172 . 1 . 1 19 19 DA H8 H 1 8.26 . . . . . . . A 19 DA H8 . 31206 1 173 . 1 . 1 20 20 DA H1' H 1 5.96 . . . . . . . A 20 DA H1' . 31206 1 174 . 1 . 1 20 20 DA H2 H 1 7.54 . . . . . . . A 20 DA H2 . 31206 1 175 . 1 . 1 20 20 DA H2' H 1 2.56 . . . . . . . A 20 DA H2' . 31206 1 176 . 1 . 1 20 20 DA H2'' H 1 2.56 . . . . . . . A 20 DA H2'' . 31206 1 177 . 1 . 1 20 20 DA H3' H 1 4.88 . . . . . . . A 20 DA H3' . 31206 1 178 . 1 . 1 20 20 DA H4' H 1 4.22 . . . . . . . A 20 DA H4' . 31206 1 179 . 1 . 1 20 20 DA H5' H 1 4.10 . . . . . . . A 20 DA H5' . 31206 1 180 . 1 . 1 20 20 DA H5'' H 1 4.10 . . . . . . . A 20 DA H5'' . 31206 1 181 . 1 . 1 20 20 DA H8 H 1 8.16 . . . . . . . A 20 DA H8 . 31206 1 182 . 1 . 1 21 21 DT H1' H 1 5.94 . . . . . . . A 21 DT H1' . 31206 1 183 . 1 . 1 21 21 DT H2' H 1 2.11 . . . . . . . A 21 DT H2' . 31206 1 184 . 1 . 1 21 21 DT H2'' H 1 2.12 . . . . . . . A 21 DT H2'' . 31206 1 185 . 1 . 1 21 21 DT H3' H 1 4.42 . . . . . . . A 21 DT H3' . 31206 1 186 . 1 . 1 21 21 DT H4' H 1 3.92 . . . . . . . A 21 DT H4' . 31206 1 187 . 1 . 1 21 21 DT H5' H 1 4.02 . . . . . . . A 21 DT H5' . 31206 1 188 . 1 . 1 21 21 DT H5'' H 1 3.95 . . . . . . . A 21 DT H5'' . 31206 1 189 . 1 . 1 21 21 DT H6 H 1 7.32 . . . . . . . A 21 DT H6 . 31206 1 190 . 1 . 1 21 21 DT H71 H 1 1.56 . . . . . . . A 21 DT H71 . 31206 1 191 . 1 . 1 21 21 DT H72 H 1 1.56 . . . . . . . A 21 DT H72 . 31206 1 192 . 1 . 1 21 21 DT H73 H 1 1.56 . . . . . . . A 21 DT H73 . 31206 1 193 . 2 . 2 1 1 KPT H11 H 1 6.55 . . . . . . . B 101 KPT H11 . 31206 1 194 . 2 . 2 1 1 KPT H3 H 1 7.27 . . . . . . . B 101 KPT H3 . 31206 1 195 . 2 . 2 1 1 KPT H4 H 1 7.15 . . . . . . . B 101 KPT H4 . 31206 1 196 . 2 . 2 1 1 KPT H5 H 1 7.92 . . . . . . . B 101 KPT H5 . 31206 1 197 . 2 . 2 1 1 KPT H10 H 1 6.17 . . . . . . . B 101 KPT H10 . 31206 1 198 . 2 . 2 1 1 KPT H8 H 1 2.76 . . . . . . . B 101 KPT H8 . 31206 1 199 . 2 . 2 1 1 KPT H9 H 1 2.76 . . . . . . . B 101 KPT H9 . 31206 1 200 . 2 . 2 1 1 KPT H6 H 1 4.66 . . . . . . . B 101 KPT H6 . 31206 1 201 . 2 . 2 1 1 KPT H7 H 1 4.66 . . . . . . . B 101 KPT H7 . 31206 1 202 . 2 . 2 1 1 KPT H2 H 1 9.00 . . . . . . . B 101 KPT H2 . 31206 1 203 . 2 . 2 1 1 KPT H12 H 1 5.81 . . . . . . . B 101 KPT H12 . 31206 1 204 . 2 . 2 1 1 KPT H14 H 1 5.81 . . . . . . . B 101 KPT H14 . 31206 1 205 . 2 . 2 1 1 KPT H1 H 1 6.16 . . . . . . . B 101 KPT H1 . 31206 1 206 . 2 . 2 1 1 KPT H21 H 1 6.16 . . . . . . . B 101 KPT H21 . 31206 1 207 . 3 . 2 1 1 KPT H11 H 1 6.55 . . . . . . . C 102 KPT H11 . 31206 1 208 . 3 . 2 1 1 KPT H3 H 1 7.27 . . . . . . . C 102 KPT H3 . 31206 1 209 . 3 . 2 1 1 KPT H4 H 1 7.15 . . . . . . . C 102 KPT H4 . 31206 1 210 . 3 . 2 1 1 KPT H5 H 1 7.92 . . . . . . . C 102 KPT H5 . 31206 1 211 . 3 . 2 1 1 KPT H10 H 1 6.17 . . . . . . . C 102 KPT H10 . 31206 1 212 . 3 . 2 1 1 KPT H8 H 1 2.76 . . . . . . . C 102 KPT H8 . 31206 1 213 . 3 . 2 1 1 KPT H9 H 1 2.76 . . . . . . . C 102 KPT H9 . 31206 1 214 . 3 . 2 1 1 KPT H6 H 1 4.66 . . . . . . . C 102 KPT H6 . 31206 1 215 . 3 . 2 1 1 KPT H7 H 1 4.66 . . . . . . . C 102 KPT H7 . 31206 1 216 . 3 . 2 1 1 KPT H2 H 1 9.00 . . . . . . . C 102 KPT H2 . 31206 1 217 . 3 . 2 1 1 KPT H12 H 1 5.81 . . . . . . . C 102 KPT H12 . 31206 1 218 . 3 . 2 1 1 KPT H14 H 1 5.81 . . . . . . . C 102 KPT H14 . 31206 1 219 . 3 . 2 1 1 KPT H1 H 1 6.16 . . . . . . . C 102 KPT H1 . 31206 1 220 . 3 . 2 1 1 KPT H21 H 1 6.16 . . . . . . . C 102 KPT H21 . 31206 1 stop_ save_