data_34679 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34679 _Entry.Title ; 10bp DNA/DNA duplex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-16 _Entry.Accession_date 2021-11-16 _Entry.Last_release_date 2021-11-22 _Entry.Original_release_date 2021-11-22 _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 L. Qiang L. . . . 34679 2 T. Marko T. . . . 34679 3 F. Chaochao F. . . . 34679 4 C. Jialiang C. . . . 34679 5 Z. Yifei Z. . . . 34679 6 L. Kuan L. . . . 34679 7 L. Hongjun L. . . . 34679 8 S. Xuncheng S. . . . 34679 9 X. Zhen X. . . . 34679 10 P. Janez P. . . . 34679 11 Z. Chuanzheng Z. . . . 34679 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 10bp . 34679 DNA . 34679 duplex . 34679 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34679 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 188 34679 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 2 . . 2023-02-10 2021-11-16 update BMRB 'update entry citation' 34679 1 . . 2022-11-08 2021-11-16 original author 'original release' 34679 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7QA9 'BMRB Entry Tracking System' 34679 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34679 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36163470 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 4'-SCF3 -Labeling Constitutes a Sensitive 19 F NMR Probe for Characterization of Interactions in the Minor Groove of DNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 61 _Citation.Journal_issue 47 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3773 _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 e202201848 _Citation.Page_last e202201848 _Citation.Year 2022 _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 Qiang Li Q. . . . 34679 1 2 Marko Trajkovski M. . . . 34679 1 3 Chaochao Fan C. . . . 34679 1 4 Jialiang Chen J. . . . 34679 1 5 Yifei Zhou Y. . . . 34679 1 6 Kuan Lu K. . . . 34679 1 7 Hongjun Li H. . . . 34679 1 8 Xuncheng Su X. . . . 34679 1 9 Zhen Xi Z. . . . 34679 1 10 Janez Plavec J. . . . 34679 1 11 Chuanzheng Zhou C. . . . 34679 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34679 _Assembly.ID 1 _Assembly.Name "DNA (5'-D(*CP*CP*AP*TP*TP*AP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-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 A yes . . . . . . 34679 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34679 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34679 _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 ; CCATTATAGC ; _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 10 _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 3003.992 _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 . DC . 34679 1 2 . DC . 34679 1 3 . DA . 34679 1 4 . DT . 34679 1 5 . DT . 34679 1 6 . DA . 34679 1 7 . DT . 34679 1 8 . DA . 34679 1 9 . DG . 34679 1 10 . DC . 34679 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 . DC 1 1 34679 1 . DC 2 2 34679 1 . DA 3 3 34679 1 . DT 4 4 34679 1 . DT 5 5 34679 1 . DA 6 6 34679 1 . DT 7 7 34679 1 . DA 8 8 34679 1 . DG 9 9 34679 1 . DC 10 10 34679 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34679 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCTATAATGG ; _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3084.041 _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 . DG . 34679 2 2 . DC . 34679 2 3 . DT . 34679 2 4 . DA . 34679 2 5 . DT . 34679 2 6 . DA . 34679 2 7 . DA . 34679 2 8 . DT . 34679 2 9 . DG . 34679 2 10 . DG . 34679 2 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 . DG 1 1 34679 2 . DC 2 2 34679 2 . DT 3 3 34679 2 . DA 4 4 34679 2 . DT 5 5 34679 2 . DA 6 6 34679 2 . DA 7 7 34679 2 . DT 8 8 34679 2 . DG 9 9 34679 2 . DG 10 10 34679 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 34679 _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 . 10160 organism . 'Octodon degus' 'Octodon degus' . . Eukaryota Metazoa Octodon degus . . . . . . . . . . . . . 34679 1 2 2 $entity_2 . 10160 organism . 'Octodon degus' 'Octodon degus' . . Eukaryota Metazoa Octodon degus . . . . . . . . . . . . . 34679 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 34679 _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' . . . . . . . . . . . . . . . . 34679 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34679 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34679 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM no DNA (5'-D(*CP*CP*AP*TP*TP*AP*TP*AP*GP*C)-3'), 0.4 mM no DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'), 10 mM no sodium phosphate, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 "DNA (5'-D(*CP*CP*AP*TP*TP*AP*TP*AP*GP*C)-3')" 'natural abundance' 1 $assembly 1 $entity_1 . . 0.4 . . mM . . . . 34679 1 2 "DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3')" 'natural abundance' 1 $assembly 2 $entity_2 . . 0.4 . . mM . . . . 34679 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34679 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34679 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM no DNA (5'-D(*CP*CP*AP*TP*TP*AP*TP*AP*GP*C)-3'), 0.4 mM no DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'), 10 mM no sodium phosphate, 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 "DNA (5'-D(*CP*CP*AP*TP*TP*AP*TP*AP*GP*C)-3')" 'natural abundance' 1 $assembly 1 $entity_1 . . 0.4 . . mM . . . . 34679 2 2 "DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3')" 'natural abundance' 1 $assembly 2 $entity_2 . . 0.4 . . mM . . . . 34679 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34679 2 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 34679 _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 34679 1 pH 7.0 . pH 34679 1 pressure 1 . atm 34679 1 temperature 278 . K 34679 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34679 _Software.ID 1 _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' . . 34679 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34679 1 collection . 34679 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34679 _Software.ID 2 _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 'Lee W, Tonelli M, Markley JL' . . 34679 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34679 2 'peak picking' . 34679 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34679 _Software.ID 3 _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' . . 34679 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34679 3 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 34679 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 34679 _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 NEO' . 600 . . . 34679 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 34679 _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 NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34679 1 2 '2D NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34679 1 3 '2D DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34679 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34679 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 34679 _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 external direct 1.0 . . . . . 34679 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 34679 _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 NOESY' . . . 34679 1 2 '2D NOESY' . . . 34679 1 3 '2D DQF-COSY' . . . 34679 1 4 '2D 1H-1H TOCSY' . . . 34679 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 DC H1' H 1 5.960 0.002 10 1 . . . . A 1 DC H1' . 34679 1 2 . 1 . 1 1 1 DC H2' H 1 2.090 0.002 10 1 . . . . A 1 DC H2' . 34679 1 3 . 1 . 1 1 1 DC H2'' H 1 2.514 0.001 7 1 . . . . A 1 DC H2'' . 34679 1 4 . 1 . 1 1 1 DC H3' H 1 4.660 0.002 9 1 . . . . A 1 DC H3' . 34679 1 5 . 1 . 1 1 1 DC H4' H 1 4.101 0.001 5 1 . . . . A 1 DC H4' . 34679 1 6 . 1 . 1 1 1 DC H5 H 1 5.914 0.001 6 1 . . . . A 1 DC H5 . 34679 1 7 . 1 . 1 1 1 DC H5' H 1 3.746 0.002 7 2 . . . . A 1 DC H5' . 34679 1 8 . 1 . 1 1 1 DC H5'' H 1 3.746 0.002 7 2 . . . . A 1 DC H5'' . 34679 1 9 . 1 . 1 1 1 DC H6 H 1 7.751 0.001 9 1 . . . . A 1 DC H6 . 34679 1 10 . 1 . 1 2 2 DC H1' H 1 5.375 0.001 12 1 . . . . A 2 DC H1' . 34679 1 11 . 1 . 1 2 2 DC H2' H 1 2.199 0.001 7 1 . . . . A 2 DC H2' . 34679 1 12 . 1 . 1 2 2 DC H2'' H 1 2.440 0.003 10 1 . . . . A 2 DC H2'' . 34679 1 13 . 1 . 1 2 2 DC H3' H 1 4.867 0.002 7 1 . . . . A 2 DC H3' . 34679 1 14 . 1 . 1 2 2 DC H4' H 1 4.127 0.001 5 1 . . . . A 2 DC H4' . 34679 1 15 . 1 . 1 2 2 DC H5 H 1 5.697 0.001 10 1 . . . . A 2 DC H5 . 34679 1 16 . 1 . 1 2 2 DC H5' H 1 4.005 0.005 4 1 . . . . A 2 DC H5' . 34679 1 17 . 1 . 1 2 2 DC H5'' H 1 4.040 0.006 5 1 . . . . A 2 DC H5'' . 34679 1 18 . 1 . 1 2 2 DC H6 H 1 7.622 0.000 14 1 . . . . A 2 DC H6 . 34679 1 19 . 1 . 1 3 3 DA H1' H 1 6.359 0.001 15 1 . . . . A 3 DA H1' . 34679 1 20 . 1 . 1 3 3 DA H2 H 1 7.747 0.000 2 1 . . . . A 3 DA H2 . 34679 1 21 . 1 . 1 3 3 DA H2' H 1 2.824 0.001 7 1 . . . . A 3 DA H2' . 34679 1 22 . 1 . 1 3 3 DA H2'' H 1 3.003 0.002 9 1 . . . . A 3 DA H2'' . 34679 1 23 . 1 . 1 3 3 DA H3' H 1 5.070 0.003 7 1 . . . . A 3 DA H3' . 34679 1 24 . 1 . 1 3 3 DA H4' H 1 4.488 0.001 7 1 . . . . A 3 DA H4' . 34679 1 25 . 1 . 1 3 3 DA H5' H 1 4.086 0.002 3 1 . . . . A 3 DA H5' . 34679 1 26 . 1 . 1 3 3 DA H5'' H 1 4.179 0.004 4 1 . . . . A 3 DA H5'' . 34679 1 27 . 1 . 1 3 3 DA H8 H 1 8.434 0.001 16 1 . . . . A 3 DA H8 . 34679 1 28 . 1 . 1 4 4 DT H1' H 1 5.929 0.001 12 1 . . . . A 4 DT H1' . 34679 1 29 . 1 . 1 4 4 DT H2' H 1 2.032 0.002 11 1 . . . . A 4 DT H2' . 34679 1 30 . 1 . 1 4 4 DT H2'' H 1 2.580 0.004 7 1 . . . . A 4 DT H2'' . 34679 1 31 . 1 . 1 4 4 DT H3' H 1 4.832 0.001 9 1 . . . . A 4 DT H3' . 34679 1 32 . 1 . 1 4 4 DT H4' H 1 4.232 0.001 7 1 . . . . A 4 DT H4' . 34679 1 33 . 1 . 1 4 4 DT H5' H 1 4.185 0.002 5 1 . . . . A 4 DT H5' . 34679 1 34 . 1 . 1 4 4 DT H5'' H 1 4.362 0.002 4 1 . . . . A 4 DT H5'' . 34679 1 35 . 1 . 1 4 4 DT H6 H 1 7.245 0.001 15 1 . . . . A 4 DT H6 . 34679 1 36 . 1 . 1 4 4 DT H71 H 1 1.433 0.002 17 2 . . . . A 4 DT H71 . 34679 1 37 . 1 . 1 4 4 DT H72 H 1 1.433 0.002 17 2 . . . . A 4 DT H72 . 34679 1 38 . 1 . 1 4 4 DT H73 H 1 1.433 0.002 17 2 . . . . A 4 DT H73 . 34679 1 39 . 1 . 1 5 5 DT H1' H 1 5.885 0.002 12 1 . . . . A 5 DT H1' . 34679 1 40 . 1 . 1 5 5 DT H2' H 1 2.259 0.003 8 1 . . . . A 5 DT H2' . 34679 1 41 . 1 . 1 5 5 DT H2'' H 1 2.613 0.003 6 1 . . . . A 5 DT H2'' . 34679 1 42 . 1 . 1 5 5 DT H3' H 1 4.927 0.001 7 1 . . . . A 5 DT H3' . 34679 1 43 . 1 . 1 5 5 DT H4' H 1 4.203 0.002 5 1 . . . . A 5 DT H4' . 34679 1 44 . 1 . 1 5 5 DT H5' H 1 4.189 0.002 2 1 . . . . A 5 DT H5' . 34679 1 45 . 1 . 1 5 5 DT H5'' H 1 4.105 0.002 4 1 . . . . A 5 DT H5'' . 34679 1 46 . 1 . 1 5 5 DT H6 H 1 7.425 0.002 15 1 . . . . A 5 DT H6 . 34679 1 47 . 1 . 1 5 5 DT H71 H 1 1.629 0.001 14 2 . . . . A 5 DT H71 . 34679 1 48 . 1 . 1 5 5 DT H72 H 1 1.629 0.001 14 2 . . . . A 5 DT H72 . 34679 1 49 . 1 . 1 5 5 DT H73 H 1 1.629 0.001 14 2 . . . . A 5 DT H73 . 34679 1 50 . 1 . 1 6 6 DA H1' H 1 6.189 0.001 16 1 . . . . A 6 DA H1' . 34679 1 51 . 1 . 1 6 6 DA H2 H 1 7.013 0.001 5 1 . . . . A 6 DA H2 . 34679 1 52 . 1 . 1 6 6 DA H2' H 1 2.627 0.004 8 1 . . . . A 6 DA H2' . 34679 1 53 . 1 . 1 6 6 DA H2'' H 1 2.936 0.003 9 1 . . . . A 6 DA H2'' . 34679 1 54 . 1 . 1 6 6 DA H3' H 1 5.012 0.002 6 1 . . . . A 6 DA H3' . 34679 1 55 . 1 . 1 6 6 DA H4' H 1 4.431 0.004 7 1 . . . . A 6 DA H4' . 34679 1 56 . 1 . 1 6 6 DA H5' H 1 4.200 0.001 6 2 . . . . A 6 DA H5' . 34679 1 57 . 1 . 1 6 6 DA H5'' H 1 4.200 0.001 6 2 . . . . A 6 DA H5'' . 34679 1 58 . 1 . 1 6 6 DA H8 H 1 8.312 0.000 13 1 . . . . A 6 DA H8 . 34679 1 59 . 1 . 1 7 7 DT H1' H 1 5.556 0.001 12 1 . . . . A 7 DT H1' . 34679 1 60 . 1 . 1 7 7 DT H2' H 1 2.021 0.001 8 1 . . . . A 7 DT H2' . 34679 1 61 . 1 . 1 7 7 DT H2'' H 1 2.382 0.001 7 1 . . . . A 7 DT H2'' . 34679 1 62 . 1 . 1 7 7 DT H3' H 1 4.857 0.001 8 1 . . . . A 7 DT H3' . 34679 1 63 . 1 . 1 7 7 DT H4' H 1 4.159 0.002 6 1 . . . . A 7 DT H4' . 34679 1 64 . 1 . 1 7 7 DT H5' H 1 4.134 0.002 3 1 . . . . A 7 DT H5' . 34679 1 65 . 1 . 1 7 7 DT H5'' H 1 4.281 0.002 4 1 . . . . A 7 DT H5'' . 34679 1 66 . 1 . 1 7 7 DT H6 H 1 7.164 0.001 14 1 . . . . A 7 DT H6 . 34679 1 67 . 1 . 1 7 7 DT H71 H 1 1.337 0.002 12 2 . . . . A 7 DT H71 . 34679 1 68 . 1 . 1 7 7 DT H72 H 1 1.337 0.002 12 2 . . . . A 7 DT H72 . 34679 1 69 . 1 . 1 7 7 DT H73 H 1 1.337 0.002 12 2 . . . . A 7 DT H73 . 34679 1 70 . 1 . 1 8 8 DA H1' H 1 6.009 0.002 14 1 . . . . A 8 DA H1' . 34679 1 71 . 1 . 1 8 8 DA H2 H 1 7.281 0.000 4 1 . . . . A 8 DA H2 . 34679 1 72 . 1 . 1 8 8 DA H2' H 1 2.675 0.004 6 1 . . . . A 8 DA H2' . 34679 1 73 . 1 . 1 8 8 DA H2'' H 1 2.856 0.003 6 1 . . . . A 8 DA H2'' . 34679 1 74 . 1 . 1 8 8 DA H3' H 1 5.032 0.002 6 1 . . . . A 8 DA H3' . 34679 1 75 . 1 . 1 8 8 DA H4' H 1 4.395 0.003 6 1 . . . . A 8 DA H4' . 34679 1 76 . 1 . 1 8 8 DA H5' H 1 4.152 0.002 2 1 . . . . A 8 DA H5' . 34679 1 77 . 1 . 1 8 8 DA H5'' H 1 4.063 0.005 2 1 . . . . A 8 DA H5'' . 34679 1 78 . 1 . 1 8 8 DA H8 H 1 8.155 0.001 13 1 . . . . A 8 DA H8 . 34679 1 79 . 1 . 1 9 9 DG H1' H 1 5.784 0.001 13 1 . . . . A 9 DG H1' . 34679 1 80 . 1 . 1 9 9 DG H2' H 1 2.453 0.001 7 1 . . . . A 9 DG H2' . 34679 1 81 . 1 . 1 9 9 DG H2'' H 1 2.638 0.002 8 1 . . . . A 9 DG H2'' . 34679 1 82 . 1 . 1 9 9 DG H3' H 1 4.943 0.002 7 1 . . . . A 9 DG H3' . 34679 1 83 . 1 . 1 9 9 DG H4' H 1 4.350 0.001 6 1 . . . . A 9 DG H4' . 34679 1 84 . 1 . 1 9 9 DG H5' H 1 4.212 0.002 2 1 . . . . A 9 DG H5' . 34679 1 85 . 1 . 1 9 9 DG H5'' H 1 4.171 0.001 2 1 . . . . A 9 DG H5'' . 34679 1 86 . 1 . 1 9 9 DG H8 H 1 7.671 0.001 14 1 . . . . A 9 DG H8 . 34679 1 87 . 1 . 1 10 10 DC H1' H 1 6.101 0.001 8 1 . . . . A 10 DC H1' . 34679 1 88 . 1 . 1 10 10 DC H2' H 1 2.148 0.003 4 1 . . . . A 10 DC H2' . 34679 1 89 . 1 . 1 10 10 DC H2'' H 1 2.119 0.002 5 1 . . . . A 10 DC H2'' . 34679 1 90 . 1 . 1 10 10 DC H3' H 1 4.455 0.001 8 1 . . . . A 10 DC H3' . 34679 1 91 . 1 . 1 10 10 DC H4' H 1 4.032 0.001 6 1 . . . . A 10 DC H4' . 34679 1 92 . 1 . 1 10 10 DC H5 H 1 5.286 0.001 7 1 . . . . A 10 DC H5 . 34679 1 93 . 1 . 1 10 10 DC H5' H 1 4.219 0.001 3 1 . . . . A 10 DC H5' . 34679 1 94 . 1 . 1 10 10 DC H5'' H 1 4.244 0.000 1 1 . . . . A 10 DC H5'' . 34679 1 95 . 1 . 1 10 10 DC H6 H 1 7.369 0.001 13 1 . . . . A 10 DC H6 . 34679 1 96 . 2 . 2 1 1 DG H1' H 1 5.993 0.001 11 1 . . . . B 11 DG H1' . 34679 1 97 . 2 . 2 1 1 DG H2' H 1 2.683 0.002 8 1 . . . . B 11 DG H2' . 34679 1 98 . 2 . 2 1 1 DG H2'' H 1 2.772 0.002 10 1 . . . . B 11 DG H2'' . 34679 1 99 . 2 . 2 1 1 DG H3' H 1 4.837 0.004 7 1 . . . . B 11 DG H3' . 34679 1 100 . 2 . 2 1 1 DG H4' H 1 4.252 0.002 6 1 . . . . B 11 DG H4' . 34679 1 101 . 2 . 2 1 1 DG H5' H 1 3.725 0.001 6 2 . . . . B 11 DG H5' . 34679 1 102 . 2 . 2 1 1 DG H5'' H 1 3.725 0.001 6 2 . . . . B 11 DG H5'' . 34679 1 103 . 2 . 2 1 1 DG H8 H 1 7.980 0.001 8 1 . . . . B 11 DG H8 . 34679 1 104 . 2 . 2 2 2 DC H1' H 1 6.059 0.001 11 1 . . . . B 12 DC H1' . 34679 1 105 . 2 . 2 2 2 DC H2' H 1 2.152 0.002 10 1 . . . . B 12 DC H2' . 34679 1 106 . 2 . 2 2 2 DC H2'' H 1 2.532 0.002 9 1 . . . . B 12 DC H2'' . 34679 1 107 . 2 . 2 2 2 DC H3' H 1 4.821 0.002 7 1 . . . . B 12 DC H3' . 34679 1 108 . 2 . 2 2 2 DC H4' H 1 4.258 0.002 6 1 . . . . B 12 DC H4' . 34679 1 109 . 2 . 2 2 2 DC H5 H 1 5.318 0.001 10 1 . . . . B 12 DC H5 . 34679 1 110 . 2 . 2 2 2 DC H5' H 1 4.192 0.003 3 1 . . . . B 12 DC H5' . 34679 1 111 . 2 . 2 2 2 DC H5'' H 1 4.092 0.000 1 1 . . . . B 12 DC H5'' . 34679 1 112 . 2 . 2 2 2 DC H6 H 1 7.535 0.001 14 1 . . . . B 12 DC H6 . 34679 1 113 . 2 . 2 3 3 DT H1' H 1 5.676 0.001 11 1 . . . . B 13 DT H1' . 34679 1 114 . 2 . 2 3 3 DT H2' H 1 2.235 0.001 8 1 . . . . B 13 DT H2' . 34679 1 115 . 2 . 2 3 3 DT H2'' H 1 2.538 0.002 7 1 . . . . B 13 DT H2'' . 34679 1 116 . 2 . 2 3 3 DT H3' H 1 4.900 0.002 7 1 . . . . B 13 DT H3' . 34679 1 117 . 2 . 2 3 3 DT H4' H 1 4.183 0.002 5 1 . . . . B 13 DT H4' . 34679 1 118 . 2 . 2 3 3 DT H5' H 1 4.101 0.002 5 1 . . . . B 13 DT H5' . 34679 1 119 . 2 . 2 3 3 DT H5'' H 1 4.176 0.003 2 1 . . . . B 13 DT H5'' . 34679 1 120 . 2 . 2 3 3 DT H6 H 1 7.448 0.001 14 1 . . . . B 13 DT H6 . 34679 1 121 . 2 . 2 3 3 DT H71 H 1 1.655 0.002 14 2 . . . . B 13 DT H71 . 34679 1 122 . 2 . 2 3 3 DT H72 H 1 1.655 0.002 14 2 . . . . B 13 DT H72 . 34679 1 123 . 2 . 2 3 3 DT H73 H 1 1.655 0.002 14 2 . . . . B 13 DT H73 . 34679 1 124 . 2 . 2 4 4 DA H1' H 1 6.247 0.001 16 1 . . . . B 14 DA H1' . 34679 1 125 . 2 . 2 4 4 DA H2 H 1 7.223 0.002 5 1 . . . . B 14 DA H2 . 34679 1 126 . 2 . 2 4 4 DA H2' H 1 2.681 0.007 7 1 . . . . B 14 DA H2' . 34679 1 127 . 2 . 2 4 4 DA H2'' H 1 2.950 0.003 7 1 . . . . B 14 DA H2'' . 34679 1 128 . 2 . 2 4 4 DA H3' H 1 5.031 0.001 6 1 . . . . B 14 DA H3' . 34679 1 129 . 2 . 2 4 4 DA H4' H 1 4.446 0.002 7 1 . . . . B 14 DA H4' . 34679 1 130 . 2 . 2 4 4 DA H5' H 1 4.179 0.002 3 1 . . . . B 14 DA H5' . 34679 1 131 . 2 . 2 4 4 DA H5'' H 1 4.145 0.000 1 1 . . . . B 14 DA H5'' . 34679 1 132 . 2 . 2 4 4 DA H8 H 1 8.397 0.001 14 1 . . . . B 14 DA H8 . 34679 1 133 . 2 . 2 5 5 DT H1' H 1 5.560 0.002 13 1 . . . . B 15 DT H1' . 34679 1 134 . 2 . 2 5 5 DT H2' H 1 2.049 0.005 9 1 . . . . B 15 DT H2' . 34679 1 135 . 2 . 2 5 5 DT H2'' H 1 2.448 0.002 7 1 . . . . B 15 DT H2'' . 34679 1 136 . 2 . 2 5 5 DT H3' H 1 4.869 0.003 8 1 . . . . B 15 DT H3' . 34679 1 137 . 2 . 2 5 5 DT H4' H 1 4.181 0.002 7 1 . . . . B 15 DT H4' . 34679 1 138 . 2 . 2 5 5 DT H5' H 1 4.141 0.002 4 1 . . . . B 15 DT H5' . 34679 1 139 . 2 . 2 5 5 DT H5'' H 1 4.291 0.001 3 1 . . . . B 15 DT H5'' . 34679 1 140 . 2 . 2 5 5 DT H6 H 1 7.184 0.002 14 1 . . . . B 15 DT H6 . 34679 1 141 . 2 . 2 5 5 DT H71 H 1 1.466 0.001 13 2 . . . . B 15 DT H71 . 34679 1 142 . 2 . 2 5 5 DT H72 H 1 1.466 0.001 13 2 . . . . B 15 DT H72 . 34679 1 143 . 2 . 2 5 5 DT H73 H 1 1.466 0.001 13 2 . . . . B 15 DT H73 . 34679 1 144 . 2 . 2 6 6 DA H1' H 1 5.953 0.001 12 1 . . . . B 16 DA H1' . 34679 1 145 . 2 . 2 6 6 DA H2 H 1 6.477 0.001 5 1 . . . . B 16 DA H2 . 34679 1 146 . 2 . 2 6 6 DA H2' H 1 2.678 0.002 6 1 . . . . B 16 DA H2' . 34679 1 147 . 2 . 2 6 6 DA H2'' H 1 2.927 0.003 6 1 . . . . B 16 DA H2'' . 34679 1 148 . 2 . 2 6 6 DA H3' H 1 5.047 0.004 5 1 . . . . B 16 DA H3' . 34679 1 149 . 2 . 2 6 6 DA H4' H 1 4.404 0.004 6 1 . . . . B 16 DA H4' . 34679 1 150 . 2 . 2 6 6 DA H5' H 1 4.168 0.002 3 1 . . . . B 16 DA H5' . 34679 1 151 . 2 . 2 6 6 DA H5'' H 1 4.118 0.000 1 1 . . . . B 16 DA H5'' . 34679 1 152 . 2 . 2 6 6 DA H8 H 1 8.207 0.001 12 1 . . . . B 16 DA H8 . 34679 1 153 . 2 . 2 7 7 DA H1' H 1 6.111 0.001 12 1 . . . . B 17 DA H1' . 34679 1 154 . 2 . 2 7 7 DA H2 H 1 7.540 0.000 4 1 . . . . B 17 DA H2 . 34679 1 155 . 2 . 2 7 7 DA H2' H 1 2.509 0.002 7 1 . . . . B 17 DA H2' . 34679 1 156 . 2 . 2 7 7 DA H2'' H 1 2.879 0.002 8 1 . . . . B 17 DA H2'' . 34679 1 157 . 2 . 2 7 7 DA H3' H 1 5.003 0.002 7 1 . . . . B 17 DA H3' . 34679 1 158 . 2 . 2 7 7 DA H4' H 1 4.457 0.000 7 1 . . . . B 17 DA H4' . 34679 1 159 . 2 . 2 7 7 DA H5' H 1 4.273 0.001 3 1 . . . . B 17 DA H5' . 34679 1 160 . 2 . 2 7 7 DA H5'' H 1 4.217 0.001 2 1 . . . . B 17 DA H5'' . 34679 1 161 . 2 . 2 7 7 DA H8 H 1 8.156 0.001 12 1 . . . . B 17 DA H8 . 34679 1 162 . 2 . 2 8 8 DT H1' H 1 5.646 0.001 13 1 . . . . B 18 DT H1' . 34679 1 163 . 2 . 2 8 8 DT H2' H 1 1.740 0.001 9 1 . . . . B 18 DT H2' . 34679 1 164 . 2 . 2 8 8 DT H2'' H 1 2.173 0.003 7 1 . . . . B 18 DT H2'' . 34679 1 165 . 2 . 2 8 8 DT H3' H 1 4.810 0.001 9 1 . . . . B 18 DT H3' . 34679 1 166 . 2 . 2 8 8 DT H4' H 1 4.090 0.002 6 1 . . . . B 18 DT H4' . 34679 1 167 . 2 . 2 8 8 DT H5' H 1 4.266 0.001 6 1 . . . . B 18 DT H5' . 34679 1 168 . 2 . 2 8 8 DT H5'' H 1 4.088 0.000 2 1 . . . . B 18 DT H5'' . 34679 1 169 . 2 . 2 8 8 DT H6 H 1 6.992 0.001 14 1 . . . . B 18 DT H6 . 34679 1 170 . 2 . 2 8 8 DT H71 H 1 1.295 0.003 13 2 . . . . B 18 DT H71 . 34679 1 171 . 2 . 2 8 8 DT H72 H 1 1.295 0.003 13 2 . . . . B 18 DT H72 . 34679 1 172 . 2 . 2 8 8 DT H73 H 1 1.295 0.003 13 2 . . . . B 18 DT H73 . 34679 1 173 . 2 . 2 9 9 DG H1' H 1 5.570 0.003 9 1 . . . . B 19 DG H1' . 34679 1 174 . 2 . 2 9 9 DG H2' H 1 2.639 0.005 5 1 . . . . B 19 DG H2' . 34679 1 175 . 2 . 2 9 9 DG H2'' H 1 2.674 0.004 5 1 . . . . B 19 DG H2'' . 34679 1 176 . 2 . 2 9 9 DG H3' H 1 4.946 0.003 6 1 . . . . B 19 DG H3' . 34679 1 177 . 2 . 2 9 9 DG H4' H 1 4.335 0.005 6 1 . . . . B 19 DG H4' . 34679 1 178 . 2 . 2 9 9 DG H5' H 1 4.082 0.004 2 1 . . . . B 19 DG H5' . 34679 1 179 . 2 . 2 9 9 DG H5'' H 1 3.997 0.001 4 1 . . . . B 19 DG H5'' . 34679 1 180 . 2 . 2 9 9 DG H8 H 1 7.809 0.002 13 1 . . . . B 19 DG H8 . 34679 1 181 . 2 . 2 10 10 DG H1' H 1 6.151 0.001 7 1 . . . . B 20 DG H1' . 34679 1 182 . 2 . 2 10 10 DG H2' H 1 2.515 0.002 6 1 . . . . B 20 DG H2' . 34679 1 183 . 2 . 2 10 10 DG H2'' H 1 2.331 0.002 5 1 . . . . B 20 DG H2'' . 34679 1 184 . 2 . 2 10 10 DG H3' H 1 4.645 0.002 5 1 . . . . B 20 DG H3' . 34679 1 185 . 2 . 2 10 10 DG H4' H 1 4.223 0.001 5 1 . . . . B 20 DG H4' . 34679 1 186 . 2 . 2 10 10 DG H5' H 1 4.098 0.001 4 2 . . . . B 20 DG H5' . 34679 1 187 . 2 . 2 10 10 DG H5'' H 1 4.098 0.001 4 2 . . . . B 20 DG H5'' . 34679 1 188 . 2 . 2 10 10 DG H8 H 1 7.798 0.003 9 1 . . . . B 20 DG H8 . 34679 1 stop_ save_