data_5134 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5134 _Entry.Title ; Solution Structure of dAAUAA DNA Bulge ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-09-06 _Entry.Accession_date 2001-09-06 _Entry.Last_release_date 2015-08-05 _Entry.Original_release_date 2015-08-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 F. Gollmick . A. . 5134 2 M. Lorenz . . . 5134 3 U. Dornberger . . . 5134 4 J. 'von Langen' . . . 5134 5 S. Diekmann . . . 5134 6 H. Fritzsche . . . 5134 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5134 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 248 5134 '31P chemical shifts' 27 5134 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 . . 2010-07-15 2001-09-06 update BMRB 'update DNA residue label to two-letter code' 5134 1 . . 2002-08-23 2001-09-06 original author 'original release' 5134 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5135 "dAATAA DNA Bulge: 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*TP*AP*AP*GP*CP*TP*AP*CP*G)-3'" 5134 PDB 1JS5 'BMRB Entry Tracking System' 5134 PDB 1JS7 'BMRB Entry Tracking System' 5134 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5134 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22055466 _Citation.DOI . _Citation.PubMed_ID 12060684 _Citation.Full_citation . _Citation.Title ; Solution Structure of dAATAA and dAAUAA DNA Bulges ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 2669 _Citation.Page_last 2677 _Citation.Year 2002 _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.Entry_ID _Citation_author.Citation_ID 1 F. Gollmick . A. . 5134 1 2 M. Lorenz . . . 5134 1 3 U. Dornberger . . . 5134 1 4 J. 'von Langen' . . . 5134 1 5 S. Diekmann . . . 5134 1 6 H. Fritzsche . . . 5134 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA bulge' 5134 1 'deoxyribonucleic acid' 5134 1 'five-nucleotide bulge loop' 5134 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DNA_bulge _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DNA_bulge _Assembly.Entry_ID 5134 _Assembly.ID 1 _Assembly.Name "dAAUAA DNA Bulge: 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*UP*AP*AP*GP*CP*TP*AP*CP*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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimeric 5134 1 stop_ 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 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*UP*AP*AP*GP*CP*TP*AP*CP*G)-3' 1 $DNA_bulge_chain_A . . . native . . . . . 5134 1 2 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3' 2 $DNA_bulge_chain_B . . . native . . . . . 5134 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1JS7 . . . . . . 5134 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID "dAAUAA DNA Bulge: 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*UP*AP*AP*GP*CP*TP*AP*CP*G)-3'" system 5134 1 'dAAUAA DNA bulge' abbreviation 5134 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_bulge_chain_A _Entity.Sf_category entity _Entity.Sf_framecode DNA_bulge_chain_A _Entity.Entry_ID 5134 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*UP*AP*AP*GP*CP*TP*AP*CP*G)-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCATCGAAUAAGCTACG ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*UP*AP*AP*GP*CP*TP*AP*CP*G)-3' common 5134 1 'dAAUAA DNA Bulge' abbreviation 5134 1 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 . DG . 5134 1 2 . DC . 5134 1 3 . DA . 5134 1 4 . DT . 5134 1 5 . DC . 5134 1 6 . DG . 5134 1 7 . DA . 5134 1 8 . DA . 5134 1 9 . DU . 5134 1 10 . DA . 5134 1 11 . DA . 5134 1 12 . DG . 5134 1 13 . DC . 5134 1 14 . DT . 5134 1 15 . DA . 5134 1 16 . DC . 5134 1 17 . DG . 5134 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 . DG 1 1 5134 1 . DC 2 2 5134 1 . DA 3 3 5134 1 . DT 4 4 5134 1 . DC 5 5 5134 1 . DG 6 6 5134 1 . DA 7 7 5134 1 . DA 8 8 5134 1 . DU 9 9 5134 1 . DA 10 10 5134 1 . DA 11 11 5134 1 . DG 12 12 5134 1 . DC 13 13 5134 1 . DT 14 14 5134 1 . DA 15 15 5134 1 . DC 16 16 5134 1 . DG 17 17 5134 1 stop_ save_ save_DNA_bulge_chain_B _Entity.Sf_category entity _Entity.Sf_framecode DNA_bulge_chain_B _Entity.Entry_ID 5134 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGTAGCCGATGC ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3' common 5134 2 'dAAUAA DNA Bulge' abbreviation 5134 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 . DC . 5134 2 2 . DG . 5134 2 3 . DT . 5134 2 4 . DA . 5134 2 5 . DG . 5134 2 6 . DC . 5134 2 7 . DC . 5134 2 8 . DG . 5134 2 9 . DA . 5134 2 10 . DT . 5134 2 11 . DG . 5134 2 12 . DC . 5134 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 . DC 1 1 5134 2 . DG 2 2 5134 2 . DT 3 3 5134 2 . DA 4 4 5134 2 . DG 5 5 5134 2 . DC 6 6 5134 2 . DC 7 7 5134 2 . DG 8 8 5134 2 . DA 9 9 5134 2 . DT 10 10 5134 2 . DG 11 11 5134 2 . DC 12 12 5134 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 5134 _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 $DNA_bulge_chain_A . . . . . . . . . . . . . . . . . . . . . . . . . 5134 1 2 2 $DNA_bulge_chain_B . . . . . . . . . . . . . . . . . . . . . . . . . 5134 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 5134 _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 $DNA_bulge_chain_A . 'chemical synthesis' . . . . . . . . . . . . . . . . 5134 1 2 2 $DNA_bulge_chain_B . 'chemical synthesis' . . . . . . . . . . . . . . . . 5134 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5134 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*UP*AP*AP*GP*CP*TP*AP*CP*G)-3' . . . 1 $DNA_bulge_chain_A . . 3.8 . . mM . . . . 5134 1 2 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3' . . . 2 $DNA_bulge_chain_B . . 3.8 . . mM . . . . 5134 1 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 5134 1 4 NaCl . . . . . . . 100 . . mM . . . . 5134 1 5 EDTA . . . . . . . 0.05 . . mM . . . . 5134 1 6 D2O . . . . . . . 100 . . % . . . . 5134 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5134 _Sample_condition_list.ID 1 _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' 100 . mM 5134 1 pH 7 . n/a 5134 1 pressure 1 . atm 5134 1 temperature 300 . K 5134 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5134 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3 _Software.Details 'Delaglio et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5134 1 stop_ save_ save_MARDIGRAS _Software.Sf_category software _Software.Sf_framecode MARDIGRAS _Software.Entry_ID 5134 _Software.ID 2 _Software.Name MARDIGRAS _Software.Version 3.2 _Software.Details 'Borgias, B.A., James, T.L.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'iterative matrix relaxation' 5134 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5134 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Guentert, P., Mumenthaler, C., Wuetrich, K.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5134 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 5134 _Software.ID 4 _Software.Name AMBER _Software.Version 5.0 _Software.Details 'Weiner, S.J., Kollman, P.A., Nguyen, D.T., Case, D.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5134 4 refinement 5134 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 5134 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5134 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5134 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5134 _NMR_spectrometer_list.ID 1 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 Varian INOVA . 500 . . . 5134 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5134 1 3 NMR_spectrometer_3 Varian INOVA . 750 . . . 5134 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 5134 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5134 1 2 E-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5134 1 3 '31P-1H heteronuclear correlated' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5134 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5134 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5134 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name E-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5134 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '31P-1H heteronuclear correlated' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5134 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TMS 'methyl protons' . . . . ppm 0.000 internal direct . . . . . . . . . . 5134 1 P 31 H3PO4 PO4 . . . . ppm 0.000 external direct . external cylindrical . . . . . . . 5134 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5134 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5134 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 DG H8 H 1 7.928 0.002 . 1 . . . . . . . . 5134 1 2 . 1 1 1 1 DG H1' H 1 5.948 0.002 . 1 . . . . . . . . 5134 1 3 . 1 1 1 1 DG H2' H 1 2.610 0.002 . 1 . . . . . . . . 5134 1 4 . 1 1 1 1 DG H2'' H 1 2.782 0.002 . 1 . . . . . . . . 5134 1 5 . 1 1 1 1 DG H3' H 1 4.848 0.002 . 1 . . . . . . . . 5134 1 6 . 1 1 1 1 DG H4' H 1 4.257 0.002 . 1 . . . . . . . . 5134 1 7 . 1 1 1 1 DG H5' H 1 3.725 0.002 . 1 . . . . . . . . 5134 1 8 . 1 1 1 1 DG H1 H 1 12.81 0.002 . 1 . . . . . . . . 5134 1 9 . 1 1 1 1 DG P P 31 0.748 0.002 . 1 . . . . . . . . 5134 1 10 . 1 1 2 2 DC H6 H 1 7.477 0.002 . 1 . . . . . . . . 5134 1 11 . 1 1 2 2 DC H5 H 1 5.422 0.002 . 1 . . . . . . . . 5134 1 12 . 1 1 2 2 DC H1' H 1 5.673 0.002 . 1 . . . . . . . . 5134 1 13 . 1 1 2 2 DC H2' H 1 2.182 0.002 . 1 . . . . . . . . 5134 1 14 . 1 1 2 2 DC H2'' H 1 2.493 0.002 . 1 . . . . . . . . 5134 1 15 . 1 1 2 2 DC H3' H 1 4.907 0.002 . 1 . . . . . . . . 5134 1 16 . 1 1 2 2 DC H4' H 1 4.212 0.002 . 1 . . . . . . . . 5134 1 17 . 1 1 2 2 DC P P 31 0.430 0.002 . 1 . . . . . . . . 5134 1 18 . 1 1 3 3 DA H8 H 1 8.386 0.002 . 1 . . . . . . . . 5134 1 19 . 1 1 3 3 DA H2 H 1 7.744 0.002 . 1 . . . . . . . . 5134 1 20 . 1 1 3 3 DA H1' H 1 6.321 0.002 . 1 . . . . . . . . 5134 1 21 . 1 1 3 3 DA H2' H 1 2.756 0.002 . 1 . . . . . . . . 5134 1 22 . 1 1 3 3 DA H2'' H 1 2.994 0.002 . 1 . . . . . . . . 5134 1 23 . 1 1 3 3 DA H3' H 1 5.062 0.002 . 1 . . . . . . . . 5134 1 24 . 1 1 3 3 DA H4' H 1 4.458 0.002 . 1 . . . . . . . . 5134 1 25 . 1 1 3 3 DA H5' H 1 4.116 0.002 . 1 . . . . . . . . 5134 1 26 . 1 1 3 3 DA H5'' H 1 4.210 0.002 . 1 . . . . . . . . 5134 1 27 . 1 1 3 3 DA P P 31 0.930 0.002 . 1 . . . . . . . . 5134 1 28 . 1 1 4 4 DT H6 H 1 7.198 0.002 . 1 . . . . . . . . 5134 1 29 . 1 1 4 4 DT H71 H 1 1.488 0.002 . 1 . . . . . . . . 5134 1 30 . 1 1 4 4 DT H72 H 1 1.488 0.002 . 1 . . . . . . . . 5134 1 31 . 1 1 4 4 DT H73 H 1 1.488 0.002 . 1 . . . . . . . . 5134 1 32 . 1 1 4 4 DT H1' H 1 5.920 0.002 . 1 . . . . . . . . 5134 1 33 . 1 1 4 4 DT H2' H 1 2.003 0.002 . 1 . . . . . . . . 5134 1 34 . 1 1 4 4 DT H2'' H 1 2.419 0.002 . 1 . . . . . . . . 5134 1 35 . 1 1 4 4 DT H3' H 1 4.858 0.002 . 1 . . . . . . . . 5134 1 36 . 1 1 4 4 DT H4' H 1 4.172 0.002 . 1 . . . . . . . . 5134 1 37 . 1 1 4 4 DT H5' H 1 4.315 0.002 . 1 . . . . . . . . 5134 1 38 . 1 1 4 4 DT H5'' H 1 4.457 0.002 . 1 . . . . . . . . 5134 1 39 . 1 1 4 4 DT H3 H 1 13.62 0.002 . 1 . . . . . . . . 5134 1 40 . 1 1 4 4 DT P P 31 0.660 0.002 . 1 . . . . . . . . 5134 1 41 . 1 1 5 5 DC H6 H 1 7.461 0.002 . 1 . . . . . . . . 5134 1 42 . 1 1 5 5 DC H5 H 1 5.681 0.002 . 1 . . . . . . . . 5134 1 43 . 1 1 5 5 DC H1' H 1 5.442 0.002 . 1 . . . . . . . . 5134 1 44 . 1 1 5 5 DC H2' H 1 1.978 0.002 . 1 . . . . . . . . 5134 1 45 . 1 1 5 5 DC H2'' H 1 2.284 0.002 . 1 . . . . . . . . 5134 1 46 . 1 1 5 5 DC H3' H 1 4.805 0.002 . 1 . . . . . . . . 5134 1 47 . 1 1 5 5 DC H4' H 1 4.072 0.002 . 1 . . . . . . . . 5134 1 48 . 1 1 5 5 DC P P 31 0.317 0.002 . 1 . . . . . . . . 5134 1 49 . 1 1 6 6 DG H8 H 1 7.789 0.002 . 1 . . . . . . . . 5134 1 50 . 1 1 6 6 DG H1' H 1 5.641 0.002 . 1 . . . . . . . . 5134 1 51 . 1 1 6 6 DG H2' H 1 2.524 0.002 . 1 . . . . . . . . 5134 1 52 . 1 1 6 6 DG H2'' H 1 2.654 0.002 . 1 . . . . . . . . 5134 1 53 . 1 1 6 6 DG H3' H 1 4.939 0.002 . 1 . . . . . . . . 5134 1 54 . 1 1 6 6 DG H4' H 1 4.301 0.002 . 1 . . . . . . . . 5134 1 55 . 1 1 6 6 DG H5' H 1 3.980 0.002 . 1 . . . . . . . . 5134 1 56 . 1 1 6 6 DG H1 H 1 12.77 0.002 . 1 . . . . . . . . 5134 1 57 . 1 1 6 6 DG P P 31 0.906 0.002 . 1 . . . . . . . . 5134 1 58 . 1 1 7 7 DA H8 H 1 7.786 0.002 . 1 . . . . . . . . 5134 1 59 . 1 1 7 7 DA H2 H 1 7.514 0.002 . 1 . . . . . . . . 5134 1 60 . 1 1 7 7 DA H1' H 1 5.835 0.002 . 1 . . . . . . . . 5134 1 61 . 1 1 7 7 DA H2' H 1 2.187 0.002 . 1 . . . . . . . . 5134 1 62 . 1 1 7 7 DA H2'' H 1 2.497 0.002 . 1 . . . . . . . . 5134 1 63 . 1 1 7 7 DA H3' H 1 4.858 0.002 . 1 . . . . . . . . 5134 1 64 . 1 1 7 7 DA H4' H 1 4.249 0.002 . 1 . . . . . . . . 5134 1 65 . 1 1 7 7 DA P P 31 0.612 0.002 . 1 . . . . . . . . 5134 1 66 . 1 1 8 8 DA H8 H 1 8.040 0.002 . 1 . . . . . . . . 5134 1 67 . 1 1 8 8 DA H2 H 1 7.650 0.002 . 1 . . . . . . . . 5134 1 68 . 1 1 8 8 DA H1' H 1 5.959 0.002 . 1 . . . . . . . . 5134 1 69 . 1 1 8 8 DA H2' H 1 2.466 0.002 . 1 . . . . . . . . 5134 1 70 . 1 1 8 8 DA H2'' H 1 2.493 0.002 . 1 . . . . . . . . 5134 1 71 . 1 1 8 8 DA H3' H 1 4.857 0.002 . 1 . . . . . . . . 5134 1 72 . 1 1 8 8 DA H4' H 1 4.235 0.002 . 1 . . . . . . . . 5134 1 73 . 1 1 8 8 DA H5' H 1 4.040 0.002 . 1 . . . . . . . . 5134 1 74 . 1 1 8 8 DA H5'' H 1 4.100 0.002 . 1 . . . . . . . . 5134 1 75 . 1 1 8 8 DA P P 31 0.681 0.002 . 1 . . . . . . . . 5134 1 76 . 1 1 9 9 DU H6 H 1 7.183 0.002 . 1 . . . . . . . . 5134 1 77 . 1 1 9 9 DU H5 H 1 5.341 0.002 . 1 . . . . . . . . 5134 1 78 . 1 1 9 9 DU H1' H 1 5.662 0.002 . 1 . . . . . . . . 5134 1 79 . 1 1 9 9 DU H2' H 1 1.565 0.002 . 1 . . . . . . . . 5134 1 80 . 1 1 9 9 DU H2'' H 1 1.954 0.002 . 1 . . . . . . . . 5134 1 81 . 1 1 9 9 DU H3' H 1 4.488 0.002 . 1 . . . . . . . . 5134 1 82 . 1 1 9 9 DU H4' H 1 3.758 0.002 . 1 . . . . . . . . 5134 1 83 . 1 1 9 9 DU H5' H 1 3.722 0.002 . 1 . . . . . . . . 5134 1 84 . 1 1 9 9 DU H5'' H 1 3.797 0.002 . 1 . . . . . . . . 5134 1 85 . 1 1 9 9 DU P P 31 0.513 0.002 . 1 . . . . . . . . 5134 1 86 . 1 1 10 10 DA H8 H 1 7.887 0.002 . 1 . . . . . . . . 5134 1 87 . 1 1 10 10 DA H2 H 1 7.776 0.002 . 1 . . . . . . . . 5134 1 88 . 1 1 10 10 DA H1' H 1 5.761 0.002 . 1 . . . . . . . . 5134 1 89 . 1 1 10 10 DA H2' H 1 2.330 0.002 . 1 . . . . . . . . 5134 1 90 . 1 1 10 10 DA H2'' H 1 2.435 0.002 . 1 . . . . . . . . 5134 1 91 . 1 1 10 10 DA H3' H 1 4.737 0.002 . 1 . . . . . . . . 5134 1 92 . 1 1 10 10 DA H4' H 1 4.014 0.002 . 1 . . . . . . . . 5134 1 93 . 1 1 10 10 DA H5' H 1 3.637 0.002 . 1 . . . . . . . . 5134 1 94 . 1 1 10 10 DA H5'' H 1 3.744 0.002 . 1 . . . . . . . . 5134 1 95 . 1 1 10 10 DA P P 31 0.945 0.002 . 1 . . . . . . . . 5134 1 96 . 1 1 11 11 DA H8 H 1 8.024 0.002 . 1 . . . . . . . . 5134 1 97 . 1 1 11 11 DA H2 H 1 7.586 0.002 . 1 . . . . . . . . 5134 1 98 . 1 1 11 11 DA H1' H 1 5.309 0.002 . 1 . . . . . . . . 5134 1 99 . 1 1 11 11 DA H2' H 1 2.474 0.002 . 1 . . . . . . . . 5134 1 100 . 1 1 11 11 DA H2'' H 1 2.494 0.002 . 1 . . . . . . . . 5134 1 101 . 1 1 11 11 DA H3' H 1 4.845 0.002 . 1 . . . . . . . . 5134 1 102 . 1 1 11 11 DA H4' H 1 4.237 0.002 . 1 . . . . . . . . 5134 1 103 . 1 1 11 11 DA H5' H 1 3.973 0.002 . 1 . . . . . . . . 5134 1 104 . 1 1 11 11 DA H5'' H 1 4.012 0.002 . 1 . . . . . . . . 5134 1 105 . 1 1 11 11 DA P P 31 0.403 0.002 . 1 . . . . . . . . 5134 1 106 . 1 1 12 12 DG H8 H 1 7.894 0.002 . 1 . . . . . . . . 5134 1 107 . 1 1 12 12 DG H1' H 1 5.815 0.002 . 1 . . . . . . . . 5134 1 108 . 1 1 12 12 DG H2' H 1 2.696 0.002 . 1 . . . . . . . . 5134 1 109 . 1 1 12 12 DG H2'' H 1 2.696 0.002 . 1 . . . . . . . . 5134 1 110 . 1 1 12 12 DG H3' H 1 4.981 0.002 . 1 . . . . . . . . 5134 1 111 . 1 1 12 12 DG H4' H 1 4.373 0.002 . 1 . . . . . . . . 5134 1 112 . 1 1 12 12 DG H1 H 1 12.50 0.002 . 1 . . . . . . . . 5134 1 113 . 1 1 12 12 DG P P 31 0.665 0.002 . 1 . . . . . . . . 5134 1 114 . 1 1 13 13 DC H6 H 1 7.425 0.002 . 1 . . . . . . . . 5134 1 115 . 1 1 13 13 DC H5 H 1 5.342 0.002 . 1 . . . . . . . . 5134 1 116 . 1 1 13 13 DC H1' H 1 5.963 0.002 . 1 . . . . . . . . 5134 1 117 . 1 1 13 13 DC H2' H 1 2.068 0.002 . 1 . . . . . . . . 5134 1 118 . 1 1 13 13 DC H2'' H 1 2.484 0.002 . 1 . . . . . . . . 5134 1 119 . 1 1 13 13 DC H3' H 1 4.758 0.002 . 1 . . . . . . . . 5134 1 120 . 1 1 13 13 DC H4' H 1 4.239 0.002 . 1 . . . . . . . . 5134 1 121 . 1 1 13 13 DC P P 31 0.866 0.002 . 1 . . . . . . . . 5134 1 122 . 1 1 14 14 DT H6 H 1 7.408 0.002 . 1 . . . . . . . . 5134 1 123 . 1 1 14 14 DT H71 H 1 1.678 0.002 . 1 . . . . . . . . 5134 1 124 . 1 1 14 14 DT H72 H 1 1.678 0.002 . 1 . . . . . . . . 5134 1 125 . 1 1 14 14 DT H73 H 1 1.678 0.002 . 1 . . . . . . . . 5134 1 126 . 1 1 14 14 DT H1' H 1 5.647 0.002 . 1 . . . . . . . . 5134 1 127 . 1 1 14 14 DT H2' H 1 2.140 0.002 . 1 . . . . . . . . 5134 1 128 . 1 1 14 14 DT H2'' H 1 2.450 0.002 . 1 . . . . . . . . 5134 1 129 . 1 1 14 14 DT H3' H 1 4.893 0.002 . 1 . . . . . . . . 5134 1 130 . 1 1 14 14 DT H4' H 1 4.173 0.002 . 1 . . . . . . . . 5134 1 131 . 1 1 14 14 DT H3 H 1 13.84 0.002 . 1 . . . . . . . . 5134 1 132 . 1 1 14 14 DT P P 31 0.636 0.002 . 1 . . . . . . . . 5134 1 133 . 1 1 15 15 DA H8 H 1 8.336 0.002 . 1 . . . . . . . . 5134 1 134 . 1 1 15 15 DA H2 H 1 7.557 0.002 . 1 . . . . . . . . 5134 1 135 . 1 1 15 15 DA H1' H 1 6.216 0.002 . 1 . . . . . . . . 5134 1 136 . 1 1 15 15 DA H2' H 1 2.739 0.002 . 1 . . . . . . . . 5134 1 137 . 1 1 15 15 DA H2'' H 1 2.869 0.002 . 1 . . . . . . . . 5134 1 138 . 1 1 15 15 DA H3' H 1 5.054 0.002 . 1 . . . . . . . . 5134 1 139 . 1 1 15 15 DA H4' H 1 4.452 0.002 . 1 . . . . . . . . 5134 1 140 . 1 1 15 15 DA H5' H 1 4.107 0.002 . 1 . . . . . . . . 5134 1 141 . 1 1 15 15 DA H5'' H 1 4.180 0.002 . 1 . . . . . . . . 5134 1 142 . 1 1 15 15 DA P P 31 0.651 0.002 . 1 . . . . . . . . 5134 1 143 . 1 1 16 16 DC H6 H 1 7.284 0.002 . 1 . . . . . . . . 5134 1 144 . 1 1 16 16 DC H5 H 1 5.381 0.002 . 1 . . . . . . . . 5134 1 145 . 1 1 16 16 DC H1' H 1 5.652 0.002 . 1 . . . . . . . . 5134 1 146 . 1 1 16 16 DC H2' H 1 1.848 0.002 . 1 . . . . . . . . 5134 1 147 . 1 1 16 16 DC H2'' H 1 2.277 0.002 . 1 . . . . . . . . 5134 1 148 . 1 1 16 16 DC H3' H 1 4.781 0.002 . 1 . . . . . . . . 5134 1 149 . 1 1 16 16 DC H4' H 1 4.168 0.002 . 1 . . . . . . . . 5134 1 150 . 1 1 16 16 DC H5' H 1 4.141 0.002 . 1 . . . . . . . . 5134 1 151 . 1 1 16 16 DC H5'' H 1 4.272 0.002 . 1 . . . . . . . . 5134 1 152 . 1 1 16 16 DC P P 31 0.402 0.002 . 1 . . . . . . . . 5134 1 153 . 1 1 17 17 DG H8 H 1 7.871 0.002 . 1 . . . . . . . . 5134 1 154 . 1 1 17 17 DG H1' H 1 6.113 0.002 . 1 . . . . . . . . 5134 1 155 . 1 1 17 17 DG H2' H 1 2.582 0.002 . 1 . . . . . . . . 5134 1 156 . 1 1 17 17 DG H2'' H 1 2.365 0.002 . 1 . . . . . . . . 5134 1 157 . 1 1 17 17 DG H3' H 1 4.655 0.002 . 1 . . . . . . . . 5134 1 158 . 1 1 17 17 DG H4' H 1 4.162 0.002 . 1 . . . . . . . . 5134 1 159 . 1 1 17 17 DG H1 H 1 12.82 0.002 . 1 . . . . . . . . 5134 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5134 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5134 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 . 2 2 1 1 DC H6 H 1 7.620 0.002 . 1 . . . . . . . . 5134 2 2 . 2 2 1 1 DC H5 H 1 5.867 0.002 . 1 . . . . . . . . 5134 2 3 . 2 2 1 1 DC H1' H 1 5.747 0.002 . 1 . . . . . . . . 5134 2 4 . 2 2 1 1 DC H2' H 1 2.014 0.002 . 1 . . . . . . . . 5134 2 5 . 2 2 1 1 DC H2'' H 1 2.417 0.002 . 1 . . . . . . . . 5134 2 6 . 2 2 1 1 DC H3' H 1 4.692 0.002 . 1 . . . . . . . . 5134 2 7 . 2 2 1 1 DC H4' H 1 4.065 0.002 . 1 . . . . . . . . 5134 2 8 . 2 2 1 1 DC H5' H 1 3.719 0.002 . 1 . . . . . . . . 5134 2 9 . 2 2 1 1 DC H5'' H 1 4.007 0.002 . 1 . . . . . . . . 5134 2 10 . 2 2 1 1 DC P P 31 0.540 0.002 . 1 . . . . . . . . 5134 2 11 . 2 2 2 2 DG H8 H 1 7.975 0.002 . 1 . . . . . . . . 5134 2 12 . 2 2 2 2 DG H1' H 1 5.972 0.002 . 1 . . . . . . . . 5134 2 13 . 2 2 2 2 DG H2' H 1 2.675 0.002 . 1 . . . . . . . . 5134 2 14 . 2 2 2 2 DG H2'' H 1 2.784 0.002 . 1 . . . . . . . . 5134 2 15 . 2 2 2 2 DG H3' H 1 4.971 0.002 . 1 . . . . . . . . 5134 2 16 . 2 2 2 2 DG H4' H 1 4.360 0.002 . 1 . . . . . . . . 5134 2 17 . 2 2 2 2 DG H1 H 1 12.71 0.002 . 1 . . . . . . . . 5134 2 18 . 2 2 2 2 DG P P 31 0.969 0.002 . 1 . . . . . . . . 5134 2 19 . 2 2 3 3 DT H6 H 1 7.262 0.002 . 1 . . . . . . . . 5134 2 20 . 2 2 3 3 DT H71 H 1 1.500 0.002 . 1 . . . . . . . . 5134 2 21 . 2 2 3 3 DT H72 H 1 1.500 0.002 . 1 . . . . . . . . 5134 2 22 . 2 2 3 3 DT H73 H 1 1.500 0.002 . 1 . . . . . . . . 5134 2 23 . 2 2 3 3 DT H1' H 1 5.608 0.002 . 1 . . . . . . . . 5134 2 24 . 2 2 3 3 DT H2' H 1 2.086 0.002 . 1 . . . . . . . . 5134 2 25 . 2 2 3 3 DT H2'' H 1 2.396 0.002 . 1 . . . . . . . . 5134 2 26 . 2 2 3 3 DT H3' H 1 4.870 0.002 . 1 . . . . . . . . 5134 2 27 . 2 2 3 3 DT H4' H 1 4.179 0.002 . 1 . . . . . . . . 5134 2 28 . 2 2 3 3 DT H5' H 1 4.044 0.002 . 1 . . . . . . . . 5134 2 29 . 2 2 3 3 DT H5'' H 1 4.123 0.002 . 1 . . . . . . . . 5134 2 30 . 2 2 3 3 DT H3 H 1 13.63 0.002 . 1 . . . . . . . . 5134 2 31 . 2 2 3 3 DT P P 31 0.594 0.002 . 1 . . . . . . . . 5134 2 32 . 2 2 4 4 DA H8 H 1 8.200 0.002 . 1 . . . . . . . . 5134 2 33 . 2 2 4 4 DA H2 H 1 7.460 0.002 . 1 . . . . . . . . 5134 2 34 . 2 2 4 4 DA H1' H 1 6.055 0.002 . 1 . . . . . . . . 5134 2 35 . 2 2 4 4 DA H2' H 1 2.741 0.002 . 1 . . . . . . . . 5134 2 36 . 2 2 4 4 DA H2'' H 1 2.909 0.002 . 1 . . . . . . . . 5134 2 37 . 2 2 4 4 DA H3' H 1 5.064 0.002 . 1 . . . . . . . . 5134 2 38 . 2 2 4 4 DA H4' H 1 4.419 0.002 . 1 . . . . . . . . 5134 2 39 . 2 2 4 4 DA H5' H 1 4.043 0.002 . 1 . . . . . . . . 5134 2 40 . 2 2 4 4 DA H5'' H 1 4.169 0.002 . 1 . . . . . . . . 5134 2 41 . 2 2 4 4 DA P P 31 0.661 0.002 . 1 . . . . . . . . 5134 2 42 . 2 2 5 5 DG H8 H 1 7.678 0.002 . 1 . . . . . . . . 5134 2 43 . 2 2 5 5 DG H1' H 1 5.784 0.002 . 1 . . . . . . . . 5134 2 44 . 2 2 5 5 DG H2' H 1 2.492 0.002 . 1 . . . . . . . . 5134 2 45 . 2 2 5 5 DG H2'' H 1 2.665 0.002 . 1 . . . . . . . . 5134 2 46 . 2 2 5 5 DG H3' H 1 5.021 0.002 . 1 . . . . . . . . 5134 2 47 . 2 2 5 5 DG H4' H 1 4.401 0.002 . 1 . . . . . . . . 5134 2 48 . 2 2 5 5 DG H5' H 1 4.242 0.002 . 1 . . . . . . . . 5134 2 49 . 2 2 5 5 DG H1 H 1 12.82 0.002 . 1 . . . . . . . . 5134 2 50 . 2 2 5 5 DG P P 31 0.722 0.002 . 1 . . . . . . . . 5134 2 51 . 2 2 6 6 DC H6 H 1 7.463 0.002 . 1 . . . . . . . . 5134 2 52 . 2 2 6 6 DC H5 H 1 5.408 0.002 . 1 . . . . . . . . 5134 2 53 . 2 2 6 6 DC H1' H 1 6.252 0.002 . 1 . . . . . . . . 5134 2 54 . 2 2 6 6 DC H2' H 1 2.262 0.002 . 1 . . . . . . . . 5134 2 55 . 2 2 6 6 DC H2'' H 1 2.289 0.002 . 1 . . . . . . . . 5134 2 56 . 2 2 6 6 DC H3' H 1 4.776 0.002 . 1 . . . . . . . . 5134 2 57 . 2 2 6 6 DC H4' H 1 4.320 0.002 . 1 . . . . . . . . 5134 2 58 . 2 2 6 6 DC P P 31 0.306 0.002 . 1 . . . . . . . . 5134 2 59 . 2 2 7 7 DC H6 H 1 7.808 0.002 . 1 . . . . . . . . 5134 2 60 . 2 2 7 7 DC H5 H 1 6.121 0.002 . 1 . . . . . . . . 5134 2 61 . 2 2 7 7 DC H1' H 1 5.972 0.002 . 1 . . . . . . . . 5134 2 62 . 2 2 7 7 DC H2' H 1 2.172 0.002 . 1 . . . . . . . . 5134 2 63 . 2 2 7 7 DC H2'' H 1 2.547 0.002 . 1 . . . . . . . . 5134 2 64 . 2 2 7 7 DC H3' H 1 4.953 0.002 . 1 . . . . . . . . 5134 2 65 . 2 2 7 7 DC H4' H 1 4.313 0.002 . 1 . . . . . . . . 5134 2 66 . 2 2 7 7 DC P P 31 0.720 0.002 . 1 . . . . . . . . 5134 2 67 . 2 2 8 8 DG H8 H 1 7.969 0.002 . 1 . . . . . . . . 5134 2 68 . 2 2 8 8 DG H1' H 1 5.503 0.002 . 1 . . . . . . . . 5134 2 69 . 2 2 8 8 DG H2' H 1 2.721 0.002 . 1 . . . . . . . . 5134 2 70 . 2 2 8 8 DG H2'' H 1 2.787 0.002 . 1 . . . . . . . . 5134 2 71 . 2 2 8 8 DG H3' H 1 5.008 0.002 . 1 . . . . . . . . 5134 2 72 . 2 2 8 8 DG H4' H 1 4.315 0.002 . 1 . . . . . . . . 5134 2 73 . 2 2 8 8 DG H5' H 1 4.039 0.002 . 1 . . . . . . . . 5134 2 74 . 2 2 8 8 DG H5'' H 1 4.119 0.002 . 1 . . . . . . . . 5134 2 75 . 2 2 8 8 DG H1 H 1 12.82 0.002 . 1 . . . . . . . . 5134 2 76 . 2 2 8 8 DG P P 31 0.499 0.002 . 1 . . . . . . . . 5134 2 77 . 2 2 9 9 DA H8 H 1 8.242 0.002 . 1 . . . . . . . . 5134 2 78 . 2 2 9 9 DA H2 H 1 7.821 0.002 . 1 . . . . . . . . 5134 2 79 . 2 2 9 9 DA H1' H 1 6.257 0.002 . 1 . . . . . . . . 5134 2 80 . 2 2 9 9 DA H2' H 1 2.653 0.002 . 1 . . . . . . . . 5134 2 81 . 2 2 9 9 DA H2'' H 1 2.926 0.002 . 1 . . . . . . . . 5134 2 82 . 2 2 9 9 DA H3' H 1 5.024 0.002 . 1 . . . . . . . . 5134 2 83 . 2 2 9 9 DA H4' H 1 4.458 0.002 . 1 . . . . . . . . 5134 2 84 . 2 2 9 9 DA H5' H 1 4.202 0.002 . 1 . . . . . . . . 5134 2 85 . 2 2 9 9 DA H5'' H 1 4.252 0.002 . 1 . . . . . . . . 5134 2 86 . 2 2 9 9 DA P P 31 0.933 0.002 . 1 . . . . . . . . 5134 2 87 . 2 2 10 10 DT H6 H 1 7.075 0.002 . 1 . . . . . . . . 5134 2 88 . 2 2 10 10 DT H71 H 1 1.398 0.002 . 1 . . . . . . . . 5134 2 89 . 2 2 10 10 DT H72 H 1 1.398 0.002 . 1 . . . . . . . . 5134 2 90 . 2 2 10 10 DT H73 H 1 1.398 0.002 . 1 . . . . . . . . 5134 2 91 . 2 2 10 10 DT H1' H 1 5.732 0.002 . 1 . . . . . . . . 5134 2 92 . 2 2 10 10 DT H2' H 1 1.930 0.002 . 1 . . . . . . . . 5134 2 93 . 2 2 10 10 DT H2'' H 1 2.332 0.002 . 1 . . . . . . . . 5134 2 94 . 2 2 10 10 DT H3' H 1 4.845 0.002 . 1 . . . . . . . . 5134 2 95 . 2 2 10 10 DT H4' H 1 4.128 0.002 . 1 . . . . . . . . 5134 2 96 . 2 2 10 10 DT H5' H 1 4.253 0.002 . 1 . . . . . . . . 5134 2 97 . 2 2 10 10 DT H5'' H 1 4.069 0.002 . 1 . . . . . . . . 5134 2 98 . 2 2 10 10 DT H3 H 1 13.63 0.002 . 1 . . . . . . . . 5134 2 99 . 2 2 10 10 DT P P 31 0.685 0.002 . 1 . . . . . . . . 5134 2 100 . 2 2 11 11 DG H8 H 1 7.829 0.002 . 1 . . . . . . . . 5134 2 101 . 2 2 11 11 DG H1' H 1 5.909 0.002 . 1 . . . . . . . . 5134 2 102 . 2 2 11 11 DG H2' H 1 2.574 0.002 . 1 . . . . . . . . 5134 2 103 . 2 2 11 11 DG H2'' H 1 2.671 0.002 . 1 . . . . . . . . 5134 2 104 . 2 2 11 11 DG H3' H 1 4.959 0.002 . 1 . . . . . . . . 5134 2 105 . 2 2 11 11 DG H4' H 1 4.349 0.002 . 1 . . . . . . . . 5134 2 106 . 2 2 11 11 DG H1 H 1 12.77 0.002 . 1 . . . . . . . . 5134 2 107 . 2 2 11 11 DG P P 31 0.372 0.002 . 1 . . . . . . . . 5134 2 108 . 2 2 12 12 DC H6 H 1 7.360 0.002 . 1 . . . . . . . . 5134 2 109 . 2 2 12 12 DC H5 H 1 5.249 0.002 . 1 . . . . . . . . 5134 2 110 . 2 2 12 12 DC H1' H 1 6.141 0.002 . 1 . . . . . . . . 5134 2 111 . 2 2 12 12 DC H2' H 1 2.176 0.002 . 1 . . . . . . . . 5134 2 112 . 2 2 12 12 DC H2'' H 1 2.206 0.002 . 1 . . . . . . . . 5134 2 113 . 2 2 12 12 DC H3' H 1 4.475 0.002 . 1 . . . . . . . . 5134 2 114 . 2 2 12 12 DC H4' H 1 4.040 0.002 . 1 . . . . . . . . 5134 2 115 . 2 2 12 12 DC H5' H 1 4.236 0.002 . 1 . . . . . . . . 5134 2 116 . 2 2 12 12 DC H5'' H 1 4.257 0.002 . 1 . . . . . . . . 5134 2 stop_ save_