data_36673 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36673 _Entry.Title ; Solution structure of free TMPRSS2 promoter G-quadruplex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-11 _Entry.Accession_date 2024-06-11 _Entry.Last_release_date 2026-03-31 _Entry.Original_release_date 2026-03-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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. . . 36673 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 36673 G-quadruplex . 36673 'NMR solution structure' . 36673 'TMPRSS2 promoter' . 36673 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36673 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 209 36673 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 . . 2026-06-08 . original BMRB . 36673 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36674 'Solution structure of TMPRSS2 promoter G-quadruplex' 36673 PDB 8ZVE 'BMRB Entry Tracking System' 36673 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36673 _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 ; NMR Solution Structure of the Major TMPRSS2 Promoter G-Quadruplex and Its Complex with Berberine ; _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 Z. Tang Z. Y. . . 36673 1 2 S. Li S. R. . . 36673 1 3 Y. Bian Y. T. . . 36673 1 4 Z. Chen Z. Y. . . 36673 1 5 Y. Wang Y. Y. . . 36673 1 6 Y. Zhang Y. Q. . . 36673 1 7 Y. Li Y. P. . . 36673 1 8 Y. Liu Y. S. . . 36673 1 9 M. Yang M. H. . . 36673 1 10 L. Kong L. Y. . . 36673 1 11 K. Wang K. B. . . 36673 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36673 _Assembly.ID 1 _Assembly.Name 'DNA G-quadruplex' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'not present' _Assembly.Molecular_mass 7244.633 _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 entity_1 1 $entity_1 A X yes . . . . . . 36673 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 DT 1 . X 1 DT . start . . 36673 1 . 1 1 10 DG 10 . X 10 DG . middle . . 36673 1 . 1 1 11 DC 11 . X 11 DC . middle . . 36673 1 . 1 1 12 DG 12 . X 12 DG . middle . . 36673 1 . 1 1 13 DA 13 . X 13 DA . middle . . 36673 1 . 1 1 14 DG 14 . X 14 DG . middle . . 36673 1 . 1 1 15 DG 15 . X 15 DG . middle . . 36673 1 . 1 1 16 DG 16 . X 16 DG . middle . . 36673 1 . 1 1 17 DC 17 . X 17 DC . middle . . 36673 1 . 1 1 18 DG 18 . X 18 DG . middle . . 36673 1 . 1 1 19 DG 19 . X 19 DG . middle . . 36673 1 . 1 1 2 DC 2 . X 2 DC . middle . . 36673 1 . 1 1 20 DG 20 . X 20 DG . middle . . 36673 1 . 1 1 21 DA 21 . X 21 DA . middle . . 36673 1 . 1 1 22 DG 22 . X 22 DG . middle . . 36673 1 . 1 1 23 DC 23 . X 23 DC . end . . 36673 1 . 1 1 3 DT 3 . X 3 DT . middle . . 36673 1 . 1 1 4 DG 4 . X 4 DG . middle . . 36673 1 . 1 1 5 DG 5 . X 5 DG . middle . . 36673 1 . 1 1 6 DG 6 . X 6 DG . middle . . 36673 1 . 1 1 7 DC 7 . X 7 DC . middle . . 36673 1 . 1 1 8 DG 8 . X 8 DG . middle . . 36673 1 . 1 1 9 DG 9 . X 9 DG . middle . . 36673 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36673 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name "DNA (5'-D(*TP*CP*TP*GP*GP*GP*CP*GP*GP*GP*CP*GP*AP*GP*GP*GP*CP*GP*GP*GP*AP*GP*C)-3')" _Entity.Type polymer _Entity.Polymer_common_type DNA _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID X _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TCTGGGCGGGCGAGGGCGGG AGC ; _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7244.633 _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 1 DT . 36673 1 2 2 DC . 36673 1 3 3 DT . 36673 1 4 4 DG . 36673 1 5 5 DG . 36673 1 6 6 DG . 36673 1 7 7 DC . 36673 1 8 8 DG . 36673 1 9 9 DG . 36673 1 10 10 DG . 36673 1 11 11 DC . 36673 1 12 12 DG . 36673 1 13 13 DA . 36673 1 14 14 DG . 36673 1 15 15 DG . 36673 1 16 16 DG . 36673 1 17 17 DC . 36673 1 18 18 DG . 36673 1 19 19 DG . 36673 1 20 20 DG . 36673 1 21 21 DA . 36673 1 22 22 DG . 36673 1 23 23 DC . 36673 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 36673 1 . DC 2 2 36673 1 . DT 3 3 36673 1 . DG 4 4 36673 1 . DG 5 5 36673 1 . DG 6 6 36673 1 . DC 7 7 36673 1 . DG 8 8 36673 1 . DG 9 9 36673 1 . DG 10 10 36673 1 . DC 11 11 36673 1 . DG 12 12 36673 1 . DA 13 13 36673 1 . DG 14 14 36673 1 . DG 15 15 36673 1 . DG 16 16 36673 1 . DC 17 17 36673 1 . DG 18 18 36673 1 . DG 19 19 36673 1 . DG 20 20 36673 1 . DA 21 21 36673 1 . DG 22 22 36673 1 . DC 23 23 36673 1 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 36673 _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 . . . . . . . . . . . . . 36673 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 36673 _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' unidentified . . . . . . . . . . . . . . . 36673 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36673 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.93 mM None TMPRSS2_Pu23m3, 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 TMPRSS2_Pu23m3 'natural abundance' 1 $assembly 1 $entity_1 . DNA 1.93 . . mM . . . . 36673 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36673 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36673 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 36673 _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' 10 . mM 36673 1 pH 7.0 . pH 36673 1 pressure 1 . atm 36673 1 temperature 278 . K 36673 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 36673 _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' 10 . mM 36673 2 pH 7.0 . pH 36673 2 pressure 1 . atm 36673 2 temperature 288 . K 36673 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 36673 _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' 10 . mM 36673 3 pH 7.0 . pH 36673 3 pressure 1 . atm 36673 3 temperature 298 . K 36673 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36673 _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' . . 36673 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36673 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36673 _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' . . 36673 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36673 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36673 _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' . . 36673 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36673 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36673 _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' . . 36673 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36673 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 36673 _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_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36673 _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 . . . 36673 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36673 _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' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36673 1 2 '2D 1H-1H NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36673 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36673 1 4 '2D 1H-13C HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36673 1 5 '2D DQF-COSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36673 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 36673 _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 protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36673 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_starch_output _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode starch_output _Assigned_chem_shift_list.Entry_ID 36673 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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' 1 $sample_1 isotropic 36673 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36673 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36673 1 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36673 1 5 '2D DQF-COSY' 1 $sample_1 isotropic 36673 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 5.89 . . 1 . . . . X 1 DT H1' . 36673 1 2 . 1 . 1 1 1 DT H2' H 1 2.02 . . . . . . . X 1 DT H2' . 36673 1 3 . 1 . 1 1 1 DT H2'' H 1 2.30 . . . . . . . X 1 DT H2'' . 36673 1 4 . 1 . 1 1 1 DT H3' H 1 4.51 . . 1 . . . . X 1 DT H3' . 36673 1 5 . 1 . 1 1 1 DT H4' H 1 3.85 . . 1 . . . . X 1 DT H4' . 36673 1 6 . 1 . 1 1 1 DT H5' H 1 3.58 . . . . . . . X 1 DT H5' . 36673 1 7 . 1 . 1 1 1 DT H5'' H 1 3.58 . . . . . . . X 1 DT H5'' . 36673 1 8 . 1 . 1 1 1 DT H6 H 1 7.46 . . 1 . . . . X 1 DT H6 . 36673 1 9 . 1 . 1 1 1 DT H71 H 1 1.70 . . 1 . . . . X 1 DT H71 . 36673 1 10 . 1 . 1 1 1 DT H72 H 1 1.70 . . 1 . . . . X 1 DT H72 . 36673 1 11 . 1 . 1 1 1 DT H73 H 1 1.70 . . 1 . . . . X 1 DT H73 . 36673 1 12 . 1 . 1 2 2 DC H1' H 1 5.78 . . 1 . . . . X 2 DC H1' . 36673 1 13 . 1 . 1 2 2 DC H2' H 1 1.93 . . . . . . . X 2 DC H2' . 36673 1 14 . 1 . 1 2 2 DC H2'' H 1 2.38 . . . . . . . X 2 DC H2'' . 36673 1 15 . 1 . 1 2 2 DC H3' H 1 4.67 . . 1 . . . . X 2 DC H3' . 36673 1 16 . 1 . 1 2 2 DC H4' H 1 4.15 . . 1 . . . . X 2 DC H4' . 36673 1 17 . 1 . 1 2 2 DC H5 H 1 5.72 . . 1 . . . . X 2 DC H5 . 36673 1 18 . 1 . 1 2 2 DC H5' H 1 3.73 . . . . . . . X 2 DC H5' . 36673 1 19 . 1 . 1 2 2 DC H5'' H 1 3.81 . . . . . . . X 2 DC H5'' . 36673 1 20 . 1 . 1 2 2 DC H6 H 1 7.55 . . 1 . . . . X 2 DC H6 . 36673 1 21 . 1 . 1 3 3 DT H1' H 1 5.99 . . 1 . . . . X 3 DT H1' . 36673 1 22 . 1 . 1 3 3 DT H2' H 1 2.28 . . . . . . . X 3 DT H2' . 36673 1 23 . 1 . 1 3 3 DT H2'' H 1 2.46 . . . . . . . X 3 DT H2'' . 36673 1 24 . 1 . 1 3 3 DT H3' H 1 4.77 . . 1 . . . . X 3 DT H3' . 36673 1 25 . 1 . 1 3 3 DT H4' H 1 4.17 . . 1 . . . . X 3 DT H4' . 36673 1 26 . 1 . 1 3 3 DT H5' H 1 3.79 . . . . . . . X 3 DT H5' . 36673 1 27 . 1 . 1 3 3 DT H5'' H 1 3.85 . . . . . . . X 3 DT H5'' . 36673 1 28 . 1 . 1 3 3 DT H6 H 1 7.51 . . 1 . . . . X 3 DT H6 . 36673 1 29 . 1 . 1 3 3 DT H71 H 1 1.63 . . 1 . . . . X 3 DT H71 . 36673 1 30 . 1 . 1 3 3 DT H72 H 1 1.63 . . 1 . . . . X 3 DT H72 . 36673 1 31 . 1 . 1 3 3 DT H73 H 1 1.63 . . 1 . . . . X 3 DT H73 . 36673 1 32 . 1 . 1 4 4 DG H1 H 1 12.08 . . 1 . . . . X 4 DG H1 . 36673 1 33 . 1 . 1 4 4 DG H1' H 1 6.19 . . 1 . . . . X 4 DG H1' . 36673 1 34 . 1 . 1 4 4 DG H2' H 1 2.84 . . . . . . . X 4 DG H2' . 36673 1 35 . 1 . 1 4 4 DG H2'' H 1 3.07 . . . . . . . X 4 DG H2'' . 36673 1 36 . 1 . 1 4 4 DG H3' H 1 5.00 . . 1 . . . . X 4 DG H3' . 36673 1 37 . 1 . 1 4 4 DG H4' H 1 4.51 . . 1 . . . . X 4 DG H4' . 36673 1 38 . 1 . 1 4 4 DG H5' H 1 4.16 . . . . . . . X 4 DG H5' . 36673 1 39 . 1 . 1 4 4 DG H5'' H 1 4.16 . . . . . . . X 4 DG H5'' . 36673 1 40 . 1 . 1 4 4 DG H8 H 1 8.12 . . 1 . . . . X 4 DG H8 . 36673 1 41 . 1 . 1 5 5 DG H1 H 1 11.45 . . 1 . . . . X 5 DG H1 . 36673 1 42 . 1 . 1 5 5 DG H1' H 1 6.26 . . 1 . . . . X 5 DG H1' . 36673 1 43 . 1 . 1 5 5 DG H2' H 1 2.69 . . . . . . . X 5 DG H2' . 36673 1 44 . 1 . 1 5 5 DG H2'' H 1 2.99 . . . . . . . X 5 DG H2'' . 36673 1 45 . 1 . 1 5 5 DG H3' H 1 5.09 . . 1 . . . . X 5 DG H3' . 36673 1 46 . 1 . 1 5 5 DG H4' H 1 4.64 . . 1 . . . . X 5 DG H4' . 36673 1 47 . 1 . 1 5 5 DG H5' H 1 4.37 . . . . . . . X 5 DG H5' . 36673 1 48 . 1 . 1 5 5 DG H5'' H 1 4.37 . . . . . . . X 5 DG H5'' . 36673 1 49 . 1 . 1 5 5 DG H8 H 1 7.83 . . 1 . . . . X 5 DG H8 . 36673 1 50 . 1 . 1 6 6 DG H1 H 1 11.23 . . 1 . . . . X 6 DG H1 . 36673 1 51 . 1 . 1 6 6 DG H1' H 1 6.52 . . 1 . . . . X 6 DG H1' . 36673 1 52 . 1 . 1 6 6 DG H2' H 1 2.83 . . . . . . . X 6 DG H2' . 36673 1 53 . 1 . 1 6 6 DG H2'' H 1 2.68 . . . . . . . X 6 DG H2'' . 36673 1 54 . 1 . 1 6 6 DG H3' H 1 5.18 . . 1 . . . . X 6 DG H3' . 36673 1 55 . 1 . 1 6 6 DG H4' H 1 4.71 . . 1 . . . . X 6 DG H4' . 36673 1 56 . 1 . 1 6 6 DG H5' H 1 4.37 . . . . . . . X 6 DG H5' . 36673 1 57 . 1 . 1 6 6 DG H5'' H 1 4.46 . . . . . . . X 6 DG H5'' . 36673 1 58 . 1 . 1 6 6 DG H8 H 1 7.85 . . 1 . . . . X 6 DG H8 . 36673 1 59 . 1 . 1 7 7 DC H1' H 1 6.56 . . 1 . . . . X 7 DC H1' . 36673 1 60 . 1 . 1 7 7 DC H2' H 1 2.49 . . . . . . . X 7 DC H2' . 36673 1 61 . 1 . 1 7 7 DC H2'' H 1 2.80 . . . . . . . X 7 DC H2'' . 36673 1 62 . 1 . 1 7 7 DC H3' H 1 5.17 . . 1 . . . . X 7 DC H3' . 36673 1 63 . 1 . 1 7 7 DC H4' H 1 4.71 . . 1 . . . . X 7 DC H4' . 36673 1 64 . 1 . 1 7 7 DC H5 H 1 6.25 . . 1 . . . . X 7 DC H5 . 36673 1 65 . 1 . 1 7 7 DC H5' H 1 4.37 . . . . . . . X 7 DC H5' . 36673 1 66 . 1 . 1 7 7 DC H5'' H 1 4.47 . . . . . . . X 7 DC H5'' . 36673 1 67 . 1 . 1 7 7 DC H6 H 1 8.08 . . 1 . . . . X 7 DC H6 . 36673 1 68 . 1 . 1 8 8 DG H1 H 1 11.75 . . 1 . . . . X 8 DG H1 . 36673 1 69 . 1 . 1 8 8 DG H1' H 1 6.20 . . 1 . . . . X 8 DG H1' . 36673 1 70 . 1 . 1 8 8 DG H2' H 1 2.52 . . . . . . . X 8 DG H2' . 36673 1 71 . 1 . 1 8 8 DG H2'' H 1 2.98 . . . . . . . X 8 DG H2'' . 36673 1 72 . 1 . 1 8 8 DG H3' H 1 5.24 . . 1 . . . . X 8 DG H3' . 36673 1 73 . 1 . 1 8 8 DG H4' H 1 4.55 . . 1 . . . . X 8 DG H4' . 36673 1 74 . 1 . 1 8 8 DG H5' H 1 4.35 . . . . . . . X 8 DG H5' . 36673 1 75 . 1 . 1 8 8 DG H5'' H 1 4.43 . . . . . . . X 8 DG H5'' . 36673 1 76 . 1 . 1 8 8 DG H8 H 1 8.07 . . 1 . . . . X 8 DG H8 . 36673 1 77 . 1 . 1 9 9 DG H1 H 1 11.73 . . 1 . . . . X 9 DG H1 . 36673 1 78 . 1 . 1 9 9 DG H1' H 1 6.19 . . 1 . . . . X 9 DG H1' . 36673 1 79 . 1 . 1 9 9 DG H2' H 1 2.79 . . . . . . . X 9 DG H2' . 36673 1 80 . 1 . 1 9 9 DG H2'' H 1 2.93 . . . . . . . X 9 DG H2'' . 36673 1 81 . 1 . 1 9 9 DG H3' H 1 5.14 . . 1 . . . . X 9 DG H3' . 36673 1 82 . 1 . 1 9 9 DG H4' H 1 4.61 . . 1 . . . . X 9 DG H4' . 36673 1 83 . 1 . 1 9 9 DG H5' H 1 4.37 . . . . . . . X 9 DG H5' . 36673 1 84 . 1 . 1 9 9 DG H5'' H 1 4.30 . . . . . . . X 9 DG H5'' . 36673 1 85 . 1 . 1 9 9 DG H8 H 1 8.09 . . 1 . . . . X 9 DG H8 . 36673 1 86 . 1 . 1 10 10 DG H1 H 1 11.52 . . 1 . . . . X 10 DG H1 . 36673 1 87 . 1 . 1 10 10 DG H1' H 1 6.48 . . 1 . . . . X 10 DG H1' . 36673 1 88 . 1 . 1 10 10 DG H2' H 1 2.70 . . . . . . . X 10 DG H2' . 36673 1 89 . 1 . 1 10 10 DG H2'' H 1 2.64 . . . . . . . X 10 DG H2'' . 36673 1 90 . 1 . 1 10 10 DG H3' H 1 5.02 . . 1 . . . . X 10 DG H3' . 36673 1 91 . 1 . 1 10 10 DG H4' H 1 4.58 . . 1 . . . . X 10 DG H4' . 36673 1 92 . 1 . 1 10 10 DG H5' H 1 4.25 . . . . . . . X 10 DG H5' . 36673 1 93 . 1 . 1 10 10 DG H5'' H 1 4.31 . . . . . . . X 10 DG H5'' . 36673 1 94 . 1 . 1 10 10 DG H8 H 1 7.94 . . 1 . . . . X 10 DG H8 . 36673 1 95 . 1 . 1 11 11 DC H1' H 1 6.27 . . 1 . . . . X 11 DC H1' . 36673 1 96 . 1 . 1 11 11 DC H2' H 1 2.23 . . . . . . . X 11 DC H2' . 36673 1 97 . 1 . 1 11 11 DC H2'' H 1 2.59 . . . . . . . X 11 DC H2'' . 36673 1 98 . 1 . 1 11 11 DC H3' H 1 4.83 . . 1 . . . . X 11 DC H3' . 36673 1 99 . 1 . 1 11 11 DC H4' H 1 4.11 . . 1 . . . . X 11 DC H4' . 36673 1 100 . 1 . 1 11 11 DC H5 H 1 6.16 . . 1 . . . . X 11 DC H5 . 36673 1 101 . 1 . 1 11 11 DC H5' H 1 3.85 . . . . . . . X 11 DC H5' . 36673 1 102 . 1 . 1 11 11 DC H5'' H 1 3.94 . . . . . . . X 11 DC H5'' . 36673 1 103 . 1 . 1 11 11 DC H6 H 1 7.87 . . 1 . . . . X 11 DC H6 . 36673 1 104 . 1 . 1 12 12 DG H1' H 1 6.19 . . 1 . . . . X 12 DG H1' . 36673 1 105 . 1 . 1 12 12 DG H2' H 1 2.84 . . . . . . . X 12 DG H2' . 36673 1 106 . 1 . 1 12 12 DG H2'' H 1 2.73 . . . . . . . X 12 DG H2'' . 36673 1 107 . 1 . 1 12 12 DG H3' H 1 5.09 . . 1 . . . . X 12 DG H3' . 36673 1 108 . 1 . 1 12 12 DG H4' H 1 4.56 . . 1 . . . . X 12 DG H4' . 36673 1 109 . 1 . 1 12 12 DG H5' H 1 4.20 . . . . . . . X 12 DG H5' . 36673 1 110 . 1 . 1 12 12 DG H5'' H 1 4.25 . . . . . . . X 12 DG H5'' . 36673 1 111 . 1 . 1 12 12 DG H8 H 1 8.06 . . 1 . . . . X 12 DG H8 . 36673 1 112 . 1 . 1 13 13 DA H1' H 1 6.46 . . 1 . . . . X 13 DA H1' . 36673 1 113 . 1 . 1 13 13 DA H2 H 1 8.16 . . 1 . . . . X 13 DA H2 . 36673 1 114 . 1 . 1 13 13 DA H2' H 1 2.72 . . . . . . . X 13 DA H2' . 36673 1 115 . 1 . 1 13 13 DA H2'' H 1 2.72 . . . . . . . X 13 DA H2'' . 36673 1 116 . 1 . 1 13 13 DA H3' H 1 5.11 . . 1 . . . . X 13 DA H3' . 36673 1 117 . 1 . 1 13 13 DA H4' H 1 4.63 . . 1 . . . . X 13 DA H4' . 36673 1 118 . 1 . 1 13 13 DA H5' H 1 4.25 . . . . . . . X 13 DA H5' . 36673 1 119 . 1 . 1 13 13 DA H5'' H 1 4.32 . . . . . . . X 13 DA H5'' . 36673 1 120 . 1 . 1 13 13 DA H8 H 1 8.43 . . 1 . . . . X 13 DA H8 . 36673 1 121 . 1 . 1 14 14 DG H1 H 1 12.01 . . 1 . . . . X 14 DG H1 . 36673 1 122 . 1 . 1 14 14 DG H1' H 1 6.23 . . 1 . . . . X 14 DG H1' . 36673 1 123 . 1 . 1 14 14 DG H2' H 1 2.85 . . . . . . . X 14 DG H2' . 36673 1 124 . 1 . 1 14 14 DG H2'' H 1 3.11 . . . . . . . X 14 DG H2'' . 36673 1 125 . 1 . 1 14 14 DG H3' H 1 5.12 . . 1 . . . . X 14 DG H3' . 36673 1 126 . 1 . 1 14 14 DG H4' H 1 4.55 . . 1 . . . . X 14 DG H4' . 36673 1 127 . 1 . 1 14 14 DG H5' H 1 4.14 . . . . . . . X 14 DG H5' . 36673 1 128 . 1 . 1 14 14 DG H5'' H 1 4.24 . . . . . . . X 14 DG H5'' . 36673 1 129 . 1 . 1 14 14 DG H8 H 1 8.18 . . 1 . . . . X 14 DG H8 . 36673 1 130 . 1 . 1 15 15 DG H1 H 1 11.48 . . 1 . . . . X 15 DG H1 . 36673 1 131 . 1 . 1 15 15 DG H1' H 1 6.30 . . 1 . . . . X 15 DG H1' . 36673 1 132 . 1 . 1 15 15 DG H2' H 1 2.80 . . . . . . . X 15 DG H2' . 36673 1 133 . 1 . 1 15 15 DG H2'' H 1 3.05 . . . . . . . X 15 DG H2'' . 36673 1 134 . 1 . 1 15 15 DG H3' H 1 5.10 . . 1 . . . . X 15 DG H3' . 36673 1 135 . 1 . 1 15 15 DG H4' H 1 4.66 . . 1 . . . . X 15 DG H4' . 36673 1 136 . 1 . 1 15 15 DG H5' H 1 4.33 . . . . . . . X 15 DG H5' . 36673 1 137 . 1 . 1 15 15 DG H5'' H 1 4.39 . . . . . . . X 15 DG H5'' . 36673 1 138 . 1 . 1 15 15 DG H8 H 1 7.90 . . 1 . . . . X 15 DG H8 . 36673 1 139 . 1 . 1 16 16 DG H1 H 1 11.41 . . 1 . . . . X 16 DG H1 . 36673 1 140 . 1 . 1 16 16 DG H1' H 1 6.55 . . 1 . . . . X 16 DG H1' . 36673 1 141 . 1 . 1 16 16 DG H2' H 1 2.80 . . . . . . . X 16 DG H2' . 36673 1 142 . 1 . 1 16 16 DG H2'' H 1 2.66 . . . . . . . X 16 DG H2'' . 36673 1 143 . 1 . 1 16 16 DG H3' H 1 5.18 . . 1 . . . . X 16 DG H3' . 36673 1 144 . 1 . 1 16 16 DG H4' H 1 4.72 . . 1 . . . . X 16 DG H4' . 36673 1 145 . 1 . 1 16 16 DG H5' H 1 4.38 . . . . . . . X 16 DG H5' . 36673 1 146 . 1 . 1 16 16 DG H5'' H 1 4.50 . . . . . . . X 16 DG H5'' . 36673 1 147 . 1 . 1 16 16 DG H8 H 1 7.92 . . 1 . . . . X 16 DG H8 . 36673 1 148 . 1 . 1 17 17 DC H1' H 1 6.56 . . 1 . . . . X 17 DC H1' . 36673 1 149 . 1 . 1 17 17 DC H2' H 1 2.49 . . . . . . . X 17 DC H2' . 36673 1 150 . 1 . 1 17 17 DC H2'' H 1 2.80 . . . . . . . X 17 DC H2'' . 36673 1 151 . 1 . 1 17 17 DC H3' H 1 5.17 . . 1 . . . . X 17 DC H3' . 36673 1 152 . 1 . 1 17 17 DC H4' H 1 4.72 . . 1 . . . . X 17 DC H4' . 36673 1 153 . 1 . 1 17 17 DC H5 H 1 6.25 . . 1 . . . . X 17 DC H5 . 36673 1 154 . 1 . 1 17 17 DC H5' H 1 4.37 . . . . . . . X 17 DC H5' . 36673 1 155 . 1 . 1 17 17 DC H5'' H 1 4.47 . . . . . . . X 17 DC H5'' . 36673 1 156 . 1 . 1 17 17 DC H6 H 1 8.08 . . 1 . . . . X 17 DC H6 . 36673 1 157 . 1 . 1 18 18 DG H1 H 1 11.74 . . 1 . . . . X 18 DG H1 . 36673 1 158 . 1 . 1 18 18 DG H1' H 1 6.15 . . 1 . . . . X 18 DG H1' . 36673 1 159 . 1 . 1 18 18 DG H2' H 1 2.45 . . . . . . . X 18 DG H2' . 36673 1 160 . 1 . 1 18 18 DG H2'' H 1 2.91 . . . . . . . X 18 DG H2'' . 36673 1 161 . 1 . 1 18 18 DG H3' H 1 5.21 . . 1 . . . . X 18 DG H3' . 36673 1 162 . 1 . 1 18 18 DG H4' H 1 4.52 . . 1 . . . . X 18 DG H4' . 36673 1 163 . 1 . 1 18 18 DG H5' H 1 4.34 . . . . . . . X 18 DG H5' . 36673 1 164 . 1 . 1 18 18 DG H5'' H 1 4.42 . . . . . . . X 18 DG H5'' . 36673 1 165 . 1 . 1 18 18 DG H8 H 1 8.02 . . 1 . . . . X 18 DG H8 . 36673 1 166 . 1 . 1 19 19 DG H1 H 1 11.55 . . 1 . . . . X 19 DG H1 . 36673 1 167 . 1 . 1 19 19 DG H1' H 1 6.06 . . 1 . . . . X 19 DG H1' . 36673 1 168 . 1 . 1 19 19 DG H2' H 1 2.74 . . . . . . . X 19 DG H2' . 36673 1 169 . 1 . 1 19 19 DG H2'' H 1 2.82 . . . . . . . X 19 DG H2'' . 36673 1 170 . 1 . 1 19 19 DG H3' H 1 5.14 . . 1 . . . . X 19 DG H3' . 36673 1 171 . 1 . 1 19 19 DG H4' H 1 4.56 . . 1 . . . . X 19 DG H4' . 36673 1 172 . 1 . 1 19 19 DG H5' H 1 4.26 . . . . . . . X 19 DG H5' . 36673 1 173 . 1 . 1 19 19 DG H5'' H 1 4.32 . . . . . . . X 19 DG H5'' . 36673 1 174 . 1 . 1 19 19 DG H8 H 1 8.07 . . 1 . . . . X 19 DG H8 . 36673 1 175 . 1 . 1 20 20 DG H1 H 1 10.98 . . 1 . . . . X 20 DG H1 . 36673 1 176 . 1 . 1 20 20 DG H1' H 1 5.96 . . 1 . . . . X 20 DG H1' . 36673 1 177 . 1 . 1 20 20 DG H2' H 1 2.38 . . . . . . . X 20 DG H2' . 36673 1 178 . 1 . 1 20 20 DG H2'' H 1 2.69 . . . . . . . X 20 DG H2'' . 36673 1 179 . 1 . 1 20 20 DG H3' H 1 5.03 . . 1 . . . . X 20 DG H3' . 36673 1 180 . 1 . 1 20 20 DG H4' H 1 4.56 . . 1 . . . . X 20 DG H4' . 36673 1 181 . 1 . 1 20 20 DG H5' H 1 4.26 . . . . . . . X 20 DG H5' . 36673 1 182 . 1 . 1 20 20 DG H5'' H 1 4.32 . . . . . . . X 20 DG H5'' . 36673 1 183 . 1 . 1 20 20 DG H8 H 1 7.56 . . 1 . . . . X 20 DG H8 . 36673 1 184 . 1 . 1 21 21 DA H1' H 1 5.81 . . 1 . . . . X 21 DA H1' . 36673 1 185 . 1 . 1 21 21 DA H2 H 1 7.49 . . 1 . . . . X 21 DA H2 . 36673 1 186 . 1 . 1 21 21 DA H2' H 1 2.41 . . . . . . . X 21 DA H2' . 36673 1 187 . 1 . 1 21 21 DA H2'' H 1 2.56 . . . . . . . X 21 DA H2'' . 36673 1 188 . 1 . 1 21 21 DA H3' H 1 4.98 . . 1 . . . . X 21 DA H3' . 36673 1 189 . 1 . 1 21 21 DA H4' H 1 4.39 . . 1 . . . . X 21 DA H4' . 36673 1 190 . 1 . 1 21 21 DA H5' H 1 4.21 . . . . . . . X 21 DA H5' . 36673 1 191 . 1 . 1 21 21 DA H5'' H 1 4.21 . . . . . . . X 21 DA H5'' . 36673 1 192 . 1 . 1 21 21 DA H8 H 1 8.02 . . 1 . . . . X 21 DA H8 . 36673 1 193 . 1 . 1 22 22 DG H1' H 1 5.70 . . 1 . . . . X 22 DG H1' . 36673 1 194 . 1 . 1 22 22 DG H2' H 1 2.49 . . . . . . . X 22 DG H2' . 36673 1 195 . 1 . 1 22 22 DG H2'' H 1 2.40 . . . . . . . X 22 DG H2'' . 36673 1 196 . 1 . 1 22 22 DG H3' H 1 4.86 . . 1 . . . . X 22 DG H3' . 36673 1 197 . 1 . 1 22 22 DG H4' H 1 4.12 . . 1 . . . . X 22 DG H4' . 36673 1 198 . 1 . 1 22 22 DG H5' H 1 4.05 . . . . . . . X 22 DG H5' . 36673 1 199 . 1 . 1 22 22 DG H5'' H 1 4.08 . . . . . . . X 22 DG H5'' . 36673 1 200 . 1 . 1 22 22 DG H8 H 1 7.79 . . 1 . . . . X 22 DG H8 . 36673 1 201 . 1 . 1 23 23 DC H1' H 1 6.04 . . 1 . . . . X 23 DC H1' . 36673 1 202 . 1 . 1 23 23 DC H2' H 1 2.14 . . . . . . . X 23 DC H2' . 36673 1 203 . 1 . 1 23 23 DC H2'' H 1 2.28 . . . . . . . X 23 DC H2'' . 36673 1 204 . 1 . 1 23 23 DC H3' H 1 4.45 . . 1 . . . . X 23 DC H3' . 36673 1 205 . 1 . 1 23 23 DC H4' H 1 4.02 . . 1 . . . . X 23 DC H4' . 36673 1 206 . 1 . 1 23 23 DC H5 H 1 5.70 . . 1 . . . . X 23 DC H5 . 36673 1 207 . 1 . 1 23 23 DC H5' H 1 3.96 . . . . . . . X 23 DC H5' . 36673 1 208 . 1 . 1 23 23 DC H5'' H 1 3.97 . . . . . . . X 23 DC H5'' . 36673 1 209 . 1 . 1 23 23 DC H6 H 1 7.58 . . 1 . . . . X 23 DC H6 . 36673 1 stop_ save_