data_4555 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4555 _Entry.Title ; 31P NMR analysis of the DNA conformation induced by protein binding:SRY-DNA complexes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-12-11 _Entry.Accession_date 1999-12-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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 Claire Castagne . . . 4555 2 Elizabeth Murphy . C. . 4555 3 Angela Gronenborn . M. . 4555 4 Muriel Delepierre . . . 4555 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4555 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '31P chemical shifts' 26 4555 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 1999-12-13 update BMRB 'update DNA residue label to two-letter code' 4555 1 . . 2000-01-11 1999-12-13 original author 'original release' 4555 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4555 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Castagne C., Murphy, E.C., Gronenborn A.M., and Delepierre, M., "31P NMR Analysis of the DNA Conformation Induced by Protein Binding SRY/DNA Complexes," Eur. J. Biochem. 267, 1223-1229 (2000). ; _Citation.Title ; 31P NMR Analysis of the DNA Conformation Induced by Protein Binding SRY/DNA Complexes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European Journal of Biochemistry' _Citation.Journal_volume 267 _Citation.Journal_issue . _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 1223 _Citation.Page_last 1229 _Citation.Year 2000 _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 Clairen Castagne . . . 4555 1 2 Elizabeth Murphy . C. . 4555 1 3 Angela Gronenborn . M. . 4555 1 4 Muriel Delepierre . . . 4555 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '31P NMR on protein:DNA complexes' 4555 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_SRY-14mer_duplex _Assembly.Sf_category assembly _Assembly.Sf_framecode SRY-14mer_duplex _Assembly.Entry_ID 4555 _Assembly.ID 1 _Assembly.Name 'SRY-14mer duplex' _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 duplex 4555 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 '14mer strand 1' 1 $SRY_14-mer_strand_1 . . . native . . . . . 4555 1 2 '14mer strand 2' 2 $SRY_14-mer_strand_2 . . . native . . . . . 4555 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '14mer duplex' abbreviation 4555 1 'SRY-14mer duplex' system 4555 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SRY_14-mer_strand_1 _Entity.Sf_category entity _Entity.Sf_framecode SRY_14-mer_strand_1 _Entity.Entry_ID 4555 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SRY 14mer strand 1' _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 CCTGCACAAACACC _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 14 _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 'SRY 14-mer strand 1' abbreviation 4555 1 'SRY 14mer strand 1' common 4555 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 1 DC . 4555 1 2 2 DC . 4555 1 3 3 DT . 4555 1 4 4 DG . 4555 1 5 5 DC . 4555 1 6 6 DA . 4555 1 7 7 DC . 4555 1 8 8 DA . 4555 1 9 9 DA . 4555 1 10 10 DA . 4555 1 11 11 DC . 4555 1 12 12 DA . 4555 1 13 13 DC . 4555 1 14 14 DC . 4555 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 4555 1 . DC 2 2 4555 1 . DT 3 3 4555 1 . DG 4 4 4555 1 . DC 5 5 4555 1 . DA 6 6 4555 1 . DC 7 7 4555 1 . DA 8 8 4555 1 . DA 9 9 4555 1 . DA 10 10 4555 1 . DC 11 11 4555 1 . DA 12 12 4555 1 . DC 13 13 4555 1 . DC 14 14 4555 1 stop_ save_ save_SRY_14-mer_strand_2 _Entity.Sf_category entity _Entity.Sf_framecode SRY_14-mer_strand_2 _Entity.Entry_ID 4555 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'SRY 14mer strand 2' _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 GGTGTTTGTGCAGG _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 14 _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 'SRY 14-mer strand 2' abbreviation 4555 2 'SRY 14mer strand 2' common 4555 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 15 DG . 4555 2 2 16 DG . 4555 2 3 17 DT . 4555 2 4 18 DG . 4555 2 5 19 DT . 4555 2 6 20 DT . 4555 2 7 21 DT . 4555 2 8 22 DG . 4555 2 9 23 DT . 4555 2 10 24 DG . 4555 2 11 25 DC . 4555 2 12 26 DA . 4555 2 13 27 DG . 4555 2 14 28 DG . 4555 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 4555 2 . DG 2 2 4555 2 . DT 3 3 4555 2 . DG 4 4 4555 2 . DT 5 5 4555 2 . DT 6 6 4555 2 . DT 7 7 4555 2 . DG 8 8 4555 2 . DT 9 9 4555 2 . DG 10 10 4555 2 . DC 11 11 4555 2 . DA 12 12 4555 2 . DG 13 13 4555 2 . DG 14 14 4555 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 4555 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SRY_14-mer_strand_1 . . . . 'na na' . . . Eukaryota . na na . . . . . . . . . . . . . . . . . . . . . 4555 1 2 2 $SRY_14-mer_strand_2 . . . . 'na na' . . . Eukaryota . na na . . . . . . . . . . . . . . . . . . . . . 4555 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 4555 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SRY_14-mer_strand_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4555 1 2 2 $SRY_14-mer_strand_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4555 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SRY-14mer _Sample.Sf_category sample _Sample.Sf_framecode SRY-14mer _Sample.Entry_ID 4555 _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 'SRY 14mer strand 1' . . . 1 $SRY_14-mer_strand_1 . . 1 . . mM . . . . 4555 1 2 'SRY 14mer strand 2' . . . 2 $SRY_14-mer_strand_2 . . 1 . . mM . . . . 4555 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond1 _Sample_condition_list.Entry_ID 4555 _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 pH 7 0.2 n/a 4555 1 temperature 308 0.5 K 4555 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4555 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4555 _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 Varian Unity . 500 . . . 4555 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 4555 _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 '1H-1H COSY' . . . . . . . . . . . 1 $SRY-14mer . . . 1 $cond1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4555 1 2 '1H-1H TOCSY' . . . . . . . . . . . 1 $SRY-14mer . . . 1 $cond1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4555 1 3 '1H-1H NOESY' . . . . . . . . . . . 1 $SRY-14mer . . . 1 $cond1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4555 1 4 '1H-31P HSQC-TOCSY' . . . . . . . . . . . 1 $SRY-14mer . . . 1 $cond1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4555 1 5 '1H-31P HCOSYINV' . . . . . . . . . . . 1 $SRY-14mer . . . 1 $cond1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4555 1 6 '31P-31P NOESY Exchnage' . . . . . . . . . . . 1 $SRY-14mer . . . 1 $cond1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4555 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 4555 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 4555 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-1H TOCSY' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 4555 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4555 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-31P HSQC-TOCSY' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4555 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-31P HCOSYINV' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4555 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '31P-31P NOESY Exchnage' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 4555 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4555 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . . . . . . . 4555 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_SRY-14mer-c1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SRY-14mer-c1 _Assigned_chem_shift_list.Entry_ID 4555 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _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 $SRY-14mer . 4555 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 DC H5 H 1 5.97 .03 . 1 . . . . . . . . 4555 1 2 . 1 1 1 1 DC H6 H 1 7.80 .03 . 1 . . . . . . . . 4555 1 3 . 1 1 1 1 DC H1' H 1 6.01 .03 . 1 . . . . . . . . 4555 1 4 . 1 1 1 1 DC H2' H 1 2.23 .03 . 1 . . . . . . . . 4555 1 5 . 1 1 1 1 DC H2'' H 1 2.57 .03 . 1 . . . . . . . . 4555 1 6 . 1 1 1 1 DC H3' H 1 4.70 .03 . 1 . . . . . . . . 4555 1 7 . 1 1 1 1 DC H4' H 1 4.13 .03 . 1 . . . . . . . . 4555 1 8 . 1 1 1 1 DC P P 31 -4.02 .03 . 1 . . . . . . . . 4555 1 9 . 1 1 2 2 DC H41 H 1 6.93 .03 . 2 . . . . . . . . 4555 1 10 . 1 1 2 2 DC H42 H 1 8.36 .03 . 2 . . . . . . . . 4555 1 11 . 1 1 2 2 DC H5 H 1 5.71 .03 . 1 . . . . . . . . 4555 1 12 . 1 1 2 2 DC H6 H 1 7.68 .03 . 1 . . . . . . . . 4555 1 13 . 1 1 2 2 DC H1' H 1 6.05 .03 . 1 . . . . . . . . 4555 1 14 . 1 1 2 2 DC H2' H 1 2.18 .03 . 1 . . . . . . . . 4555 1 15 . 1 1 2 2 DC H2'' H 1 2.43 .03 . 5 . . . . . . . . 4555 1 16 . 1 1 2 2 DC H3' H 1 4.85 .03 . 1 . . . . . . . . 4555 1 17 . 1 1 2 2 DC H4' H 1 4.21 .03 . 1 . . . . . . . . 4555 1 18 . 1 1 2 2 DC P P 31 -4.24 .03 . 1 . . . . . . . . 4555 1 19 . 1 1 3 3 DT H3 H 1 13.85 .03 . 1 . . . . . . . . 4555 1 20 . 1 1 3 3 DT H6 H 1 7.35 .03 . 1 . . . . . . . . 4555 1 21 . 1 1 3 3 DT H71 H 1 1.69 .03 . 1 . . . . . . . . 4555 1 22 . 1 1 3 3 DT H72 H 1 1.69 .03 . 1 . . . . . . . . 4555 1 23 . 1 1 3 3 DT H73 H 1 1.69 .03 . 1 . . . . . . . . 4555 1 24 . 1 1 3 3 DT H1' H 1 5.76 .03 . 1 . . . . . . . . 4555 1 25 . 1 1 3 3 DT H2' H 1 2.14 .03 . 1 . . . . . . . . 4555 1 26 . 1 1 3 3 DT H2'' H 1 2.47 .03 . 1 . . . . . . . . 4555 1 27 . 1 1 3 3 DT H3' H 1 4.89 .03 . 1 . . . . . . . . 4555 1 28 . 1 1 3 3 DT H4' H 1 4.17 .03 . 1 . . . . . . . . 4555 1 29 . 1 1 3 3 DT P P 31 -4.15 .03 . 1 . . . . . . . . 4555 1 30 . 1 1 4 4 DG H1 H 1 12.74 .03 . 1 . . . . . . . . 4555 1 31 . 1 1 4 4 DG H8 H 1 7.91 .03 . 1 . . . . . . . . 4555 1 32 . 1 1 4 4 DG H1' H 1 5.88 .03 . 1 . . . . . . . . 4555 1 33 . 1 1 4 4 DG H2' H 1 2.66 .03 . 1 . . . . . . . . 4555 1 34 . 1 1 4 4 DG H2'' H 1 2.71 .03 . 1 . . . . . . . . 4555 1 35 . 1 1 4 4 DG H3' H 1 5.00 .03 . 1 . . . . . . . . 4555 1 36 . 1 1 4 4 DG H4' H 1 4.39 .03 . 1 . . . . . . . . 4555 1 37 . 1 1 4 4 DG P P 31 -4.17 .03 . 1 . . . . . . . . 4555 1 38 . 1 1 5 5 DC H41 H 1 6.34 .03 . 2 . . . . . . . . 4555 1 39 . 1 1 5 5 DC H42 H 1 8.25 .03 . 2 . . . . . . . . 4555 1 40 . 1 1 5 5 DC H5 H 1 5.42 .03 . 1 . . . . . . . . 4555 1 41 . 1 1 5 5 DC H6 H 1 7.34 .03 . 1 . . . . . . . . 4555 1 42 . 1 1 5 5 DC H1' H 1 5.58 .03 . 1 . . . . . . . . 4555 1 43 . 1 1 5 5 DC H2' H 1 1.94 .03 . 1 . . . . . . . . 4555 1 44 . 1 1 5 5 DC H2'' H 1 2.33 .03 . 1 . . . . . . . . 4555 1 45 . 1 1 5 5 DC H3' H 1 4.81 .03 . 1 . . . . . . . . 4555 1 46 . 1 1 5 5 DC H4' H 1 4.16 .03 . 1 . . . . . . . . 4555 1 47 . 1 1 5 5 DC H5' H 1 4.03 .03 . 2 . . . . . . . . 4555 1 48 . 1 1 5 5 DC H5'' H 1 4.22 .03 . 2 . . . . . . . . 4555 1 49 . 1 1 5 5 DC P P 31 -4.20 .03 . 1 . . . . . . . . 4555 1 50 . 1 1 6 6 DA H2 H 1 7.61 .03 . 1 . . . . . . . . 4555 1 51 . 1 1 6 6 DA H8 H 1 8.22 .03 . 1 . . . . . . . . 4555 1 52 . 1 1 6 6 DA H1' H 1 6.12 .03 . 1 . . . . . . . . 4555 1 53 . 1 1 6 6 DA H2' H 1 2.65 .03 . 1 . . . . . . . . 4555 1 54 . 1 1 6 6 DA H2'' H 1 2.82 .03 . 1 . . . . . . . . 4555 1 55 . 1 1 6 6 DA H3' H 1 4.99 .03 . 1 . . . . . . . . 4555 1 56 . 1 1 6 6 DA H4' H 1 4.37 .03 . 1 . . . . . . . . 4555 1 57 . 1 1 6 6 DA P P 31 -4.39 .03 . 1 . . . . . . . . 4555 1 58 . 1 1 7 7 DC H41 H 1 6.39 .03 . 2 . . . . . . . . 4555 1 59 . 1 1 7 7 DC H42 H 1 8.15 .03 . 1 . . . . . . . . 4555 1 60 . 1 1 7 7 DC H5 H 1 5.31 .03 . 1 . . . . . . . . 4555 1 61 . 1 1 7 7 DC H6 H 1 7.20 .03 . 1 . . . . . . . . 4555 1 62 . 1 1 7 7 DC H1' H 1 5.29 .03 . 1 . . . . . . . . 4555 1 63 . 1 1 7 7 DC H2' H 1 1.77 .03 . 1 . . . . . . . . 4555 1 64 . 1 1 7 7 DC H2'' H 1 2.14 .03 . 1 . . . . . . . . 4555 1 65 . 1 1 7 7 DC H3' H 1 4.74 .03 . 1 . . . . . . . . 4555 1 66 . 1 1 7 7 DC H4' H 1 4.06 .03 . 1 . . . . . . . . 4555 1 67 . 1 1 7 7 DC H5' H 1 3.96 .03 . 2 . . . . . . . . 4555 1 68 . 1 1 7 7 DC H5'' H 1 4.18 .03 . 2 . . . . . . . . 4555 1 69 . 1 1 7 7 DC P P 31 -4.14 .03 . 1 . . . . . . . . 4555 1 70 . 1 1 8 8 DA H2 H 1 7.09 .03 . 1 . . . . . . . . 4555 1 71 . 1 1 8 8 DA H8 H 1 8.11 .03 . 1 . . . . . . . . 4555 1 72 . 1 1 8 8 DA H1' H 1 5.73 .03 . 1 . . . . . . . . 4555 1 73 . 1 1 8 8 DA H2' H 1 2.65 .03 . 1 . . . . . . . . 4555 1 74 . 1 1 8 8 DA H2'' H 1 2.81 .03 . 1 . . . . . . . . 4555 1 75 . 1 1 8 8 DA H3' H 1 5.00 .03 . 1 . . . . . . . . 4555 1 76 . 1 1 8 8 DA H4' H 1 4.32 .03 . 1 . . . . . . . . 4555 1 77 . 1 1 8 8 DA P P 31 -4.32 .03 . 1 . . . . . . . . 4555 1 78 . 1 1 9 9 DA H2 H 1 7.12 .03 . 1 . . . . . . . . 4555 1 79 . 1 1 9 9 DA H8 H 1 8.07 .03 . 1 . . . . . . . . 4555 1 80 . 1 1 9 9 DA H1' H 1 5.82 .03 . 1 . . . . . . . . 4555 1 81 . 1 1 9 9 DA H2' H 1 2.61 .03 . 1 . . . . . . . . 4555 1 82 . 1 1 9 9 DA H2'' H 1 2.81 .03 . 1 . . . . . . . . 4555 1 83 . 1 1 9 9 DA H3' H 1 5.03 .03 . 1 . . . . . . . . 4555 1 84 . 1 1 9 9 DA H4' H 1 4.41 .03 . 1 . . . . . . . . 4555 1 85 . 1 1 9 9 DA P P 31 -4.23 .03 . 1 . . . . . . . . 4555 1 86 . 1 1 10 10 DA H2 H 1 7.56 .03 . 1 . . . . . . . . 4555 1 87 . 1 1 10 10 DA H8 H 1 8.02 .03 . 1 . . . . . . . . 4555 1 88 . 1 1 10 10 DA H1' H 1 6.03 .03 . 1 . . . . . . . . 4555 1 89 . 1 1 10 10 DA H2' H 1 2.53 .03 . 1 . . . . . . . . 4555 1 90 . 1 1 10 10 DA H2'' H 1 2.81 .03 . 1 . . . . . . . . 4555 1 91 . 1 1 10 10 DA H3' H 1 4.98 .03 . 1 . . . . . . . . 4555 1 92 . 1 1 10 10 DA H4' H 1 4.42 .03 . 1 . . . . . . . . 4555 1 93 . 1 1 10 10 DA P P 31 -4.28 .03 . 1 . . . . . . . . 4555 1 94 . 1 1 11 11 DC H41 H 1 6.37 .03 . 2 . . . . . . . . 4555 1 95 . 1 1 11 11 DC H42 H 1 7.92 .03 . 2 . . . . . . . . 4555 1 96 . 1 1 11 11 DC H5 H 1 5.17 .03 . 1 . . . . . . . . 4555 1 97 . 1 1 11 11 DC H6 H 1 7.15 .03 . 1 . . . . . . . . 4555 1 98 . 1 1 11 11 DC H1' H 1 5.49 .03 . 1 . . . . . . . . 4555 1 99 . 1 1 11 11 DC H2' H 1 1.86 .03 . 1 . . . . . . . . 4555 1 100 . 1 1 11 11 DC H2'' H 1 2.29 .03 . 1 . . . . . . . . 4555 1 101 . 1 1 11 11 DC H3' H 1 4.75 .03 . 1 . . . . . . . . 4555 1 102 . 1 1 11 11 DC H4' H 1 4.13 .03 . 1 . . . . . . . . 4555 1 103 . 1 1 11 11 DC H5' H 1 4.04 .03 . 2 . . . . . . . . 4555 1 104 . 1 1 11 11 DC H5'' H 1 4.24 .03 . 2 . . . . . . . . 4555 1 105 . 1 1 11 11 DC P P 31 -4.17 .03 . 1 . . . . . . . . 4555 1 106 . 1 1 12 12 DA H2 H 1 7.74 .03 . 1 . . . . . . . . 4555 1 107 . 1 1 12 12 DA H8 H 1 8.18 .03 . 1 . . . . . . . . 4555 1 108 . 1 1 12 12 DA H1' H 1 6.18 .03 . 1 . . . . . . . . 4555 1 109 . 1 1 12 12 DA H2' H 1 2.66 .03 . 1 . . . . . . . . 4555 1 110 . 1 1 12 12 DA H2'' H 1 2.85 .03 . 1 . . . . . . . . 4555 1 111 . 1 1 12 12 DA H3' H 1 5.00 .03 . 1 . . . . . . . . 4555 1 112 . 1 1 12 12 DA H4' H 1 4.38 .03 . 1 . . . . . . . . 4555 1 113 . 1 1 12 12 DA H5' H 1 4.15 .03 . 2 . . . . . . . . 4555 1 114 . 1 1 12 12 DA H5'' H 1 4.27 .03 . 2 . . . . . . . . 4555 1 115 . 1 1 12 12 DA P P 31 -4.21 .03 . 1 . . . . . . . . 4555 1 116 . 1 1 13 13 DC H41 H 1 6.56 .03 . 2 . . . . . . . . 4555 1 117 . 1 1 13 13 DC H42 H 1 8.15 .03 . 2 . . . . . . . . 4555 1 118 . 1 1 13 13 DC H5 H 1 5.34 .03 . 1 . . . . . . . . 4555 1 119 . 1 1 13 13 DC H6 H 1 7.32 .03 . 1 . . . . . . . . 4555 1 120 . 1 1 13 13 DC H1' H 1 5.96 .03 . 1 . . . . . . . . 4555 1 121 . 1 1 13 13 DC H2' H 1 2.06 .03 . 1 . . . . . . . . 4555 1 122 . 1 1 13 13 DC H2'' H 1 2.40 .03 . 1 . . . . . . . . 4555 1 123 . 1 1 13 13 DC H3' H 1 4.78 .03 . 1 . . . . . . . . 4555 1 124 . 1 1 13 13 DC H4' H 1 4.17 .03 . 1 . . . . . . . . 4555 1 125 . 1 1 13 13 DC H5' H 1 4.04 .03 . 2 . . . . . . . . 4555 1 126 . 1 1 13 13 DC H5'' H 1 4.27 .03 . 2 . . . . . . . . 4555 1 127 . 1 1 13 13 DC P P 31 -3.87 .03 . 1 . . . . . . . . 4555 1 128 . 1 1 14 14 DC H5 H 1 5.70 .03 . 1 . . . . . . . . 4555 1 129 . 1 1 14 14 DC H6 H 1 7.61 .03 . 1 . . . . . . . . 4555 1 130 . 1 1 14 14 DC H1' H 1 6.21 .03 . 1 . . . . . . . . 4555 1 131 . 1 1 14 14 DC H2' H 1 2.23 .03 . 1 . . . . . . . . 4555 1 132 . 1 1 14 14 DC H2'' H 1 2.27 .03 . 1 . . . . . . . . 4555 1 133 . 1 1 14 14 DC H3' H 1 4.53 .03 . 1 . . . . . . . . 4555 1 134 . 1 1 14 14 DC H4' H 1 4.04 .03 . 1 . . . . . . . . 4555 1 135 . 1 1 14 14 DC H5' H 1 4.14 .03 . 2 . . . . . . . . 4555 1 136 . 1 1 14 14 DC H5'' H 1 4.17 .03 . 2 . . . . . . . . 4555 1 stop_ save_ save_SRY-14mer-c2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SRY-14mer-c2 _Assigned_chem_shift_list.Entry_ID 4555 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _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 $SRY-14mer . 4555 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 DG H8 H 1 7.84 .03 . 1 . . . . . . . . 4555 2 2 . 2 2 1 1 DG H1' H 1 5.72 .03 . 1 . . . . . . . . 4555 2 3 . 2 2 1 1 DG H2' H 1 2.56 .03 . 1 . . . . . . . . 4555 2 4 . 2 2 1 1 DG H2'' H 1 2.76 .03 . 1 . . . . . . . . 4555 2 5 . 2 2 1 1 DG H3' H 1 4.81 .03 . 1 . . . . . . . . 4555 2 6 . 2 2 1 1 DG H4' H 1 4.18 .03 . 1 . . . . . . . . 4555 2 7 . 2 2 1 1 DG H5' H 1 3.70 .03 . 2 . . . . . . . . 4555 2 8 . 2 2 1 1 DG H5'' H 1 3.70 .03 . 2 . . . . . . . . 4555 2 9 . 2 2 1 1 DG P P 31 -3.90 .03 . 1 . . . . . . . . 4555 2 10 . 2 2 2 2 DG H1 H 1 12.77 .03 . 1 . . . . . . . . 4555 2 11 . 2 2 2 2 DG H8 H 1 7.84 .03 . 1 . . . . . . . . 4555 2 12 . 2 2 2 2 DG H1' H 1 6.03 .03 . 1 . . . . . . . . 4555 2 13 . 2 2 2 2 DG H2' H 1 2.66 .03 . 1 . . . . . . . . 4555 2 14 . 2 2 2 2 DG H2'' H 1 2.83 .03 . 1 . . . . . . . . 4555 2 15 . 2 2 2 2 DG H3' H 1 4.98 .03 . 1 . . . . . . . . 4555 2 16 . 2 2 2 2 DG H4' H 1 4.42 .03 . 1 . . . . . . . . 4555 2 17 . 2 2 2 2 DG P P 31 -4.41 .03 . 1 . . . . . . . . 4555 2 18 . 2 2 3 3 DT H3 H 1 13.46 .03 . 1 . . . . . . . . 4555 2 19 . 2 2 3 3 DT H6 H 1 7.24 .03 . 1 . . . . . . . . 4555 2 20 . 2 2 3 3 DT H71 H 1 1.42 .03 . 1 . . . . . . . . 4555 2 21 . 2 2 3 3 DT H72 H 1 1.42 .03 . 1 . . . . . . . . 4555 2 22 . 2 2 3 3 DT H73 H 1 1.42 .03 . 1 . . . . . . . . 4555 2 23 . 2 2 3 3 DT H1' H 1 5.89 .03 . 1 . . . . . . . . 4555 2 24 . 2 2 3 3 DT H2' H 1 2.21 .03 . 1 . . . . . . . . 4555 2 25 . 2 2 3 3 DT H2'' H 1 2.55 .03 . 1 . . . . . . . . 4555 2 26 . 2 2 3 3 DT H3' H 1 4.91 .03 . 1 . . . . . . . . 4555 2 27 . 2 2 3 3 DT H4' H 1 4.26 .03 . 1 . . . . . . . . 4555 2 28 . 2 2 3 3 DT P P 31 -4.15 .03 . 1 . . . . . . . . 4555 2 29 . 2 2 4 4 DG H1 H 1 12.51 .03 . 1 . . . . . . . . 4555 2 30 . 2 2 4 4 DG H8 H 1 7.87 .03 . 1 . . . . . . . . 4555 2 31 . 2 2 4 4 DG H1' H 1 6.03 .03 . 1 . . . . . . . . 4555 2 32 . 2 2 4 4 DG H2' H 1 2.84 .03 . 1 . . . . . . . . 4555 2 33 . 2 2 4 4 DG H3' H 1 4.97 .03 . 1 . . . . . . . . 4555 2 34 . 2 2 4 4 DG H4' H 1 4.42 .03 . 1 . . . . . . . . 4555 2 35 . 2 2 4 4 DG P P 31 -4.41 .03 . 1 . . . . . . . . 4555 2 36 . 2 2 5 5 DT H3 H 1 13.79 .03 . 1 . . . . . . . . 4555 2 37 . 2 2 5 5 DT H6 H 1 7.27 .03 . 1 . . . . . . . . 4555 2 38 . 2 2 5 5 DT H71 H 1 1.36 .03 . 1 . . . . . . . . 4555 2 39 . 2 2 5 5 DT H72 H 1 1.36 .03 . 1 . . . . . . . . 4555 2 40 . 2 2 5 5 DT H73 H 1 1.36 .03 . 1 . . . . . . . . 4555 2 41 . 2 2 5 5 DT H1' H 1 6.04 .03 . 1 . . . . . . . . 4555 2 42 . 2 2 5 5 DT H2' H 1 2.17 .03 . 1 . . . . . . . . 4555 2 43 . 2 2 5 5 DT H2'' H 1 2.60 .03 . 1 . . . . . . . . 4555 2 44 . 2 2 5 5 DT H3' H 1 4.87 .03 . 1 . . . . . . . . 4555 2 45 . 2 2 5 5 DT H4' H 1 4.30 .03 . 1 . . . . . . . . 4555 2 46 . 2 2 5 5 DT P P 31 -4.37 .03 . 1 . . . . . . . . 4555 2 47 . 2 2 6 6 DT H3 H 1 13.84 .03 . 1 . . . . . . . . 4555 2 48 . 2 2 6 6 DT H6 H 1 7.45 .03 . 1 . . . . . . . . 4555 2 49 . 2 2 6 6 DT H71 H 1 1.61 .03 . 1 . . . . . . . . 4555 2 50 . 2 2 6 6 DT H72 H 1 1.61 .03 . 1 . . . . . . . . 4555 2 51 . 2 2 6 6 DT H73 H 1 1.61 .03 . 1 . . . . . . . . 4555 2 52 . 2 2 6 6 DT H1' H 1 6.12 .03 . 1 . . . . . . . . 4555 2 53 . 2 2 6 6 DT H2' H 1 2.17 .03 . 1 . . . . . . . . 4555 2 54 . 2 2 6 6 DT H2'' H 1 2.60 .03 . 1 . . . . . . . . 4555 2 55 . 2 2 6 6 DT H3' H 1 4.90 .03 . 1 . . . . . . . . 4555 2 56 . 2 2 6 6 DT H4' H 1 4.19 .03 . 1 . . . . . . . . 4555 2 57 . 2 2 6 6 DT H5' H 1 4.13 .03 . 2 . . . . . . . . 4555 2 58 . 2 2 6 6 DT H5'' H 1 4.29 .03 . 2 . . . . . . . . 4555 2 59 . 2 2 6 6 DT P P 31 -4.39 .03 . 1 . . . . . . . . 4555 2 60 . 2 2 7 7 DT H3 H 1 13.53 .03 . 1 . . . . . . . . 4555 2 61 . 2 2 7 7 DT H6 H 1 7.34 .03 . 1 . . . . . . . . 4555 2 62 . 2 2 7 7 DT H71 H 1 1.70 .03 . 1 . . . . . . . . 4555 2 63 . 2 2 7 7 DT H72 H 1 1.70 .03 . 1 . . . . . . . . 4555 2 64 . 2 2 7 7 DT H73 H 1 1.70 .03 . 1 . . . . . . . . 4555 2 65 . 2 2 7 7 DT H1' H 1 5.83 .03 . 1 . . . . . . . . 4555 2 66 . 2 2 7 7 DT H2' H 1 2.19 .03 . 1 . . . . . . . . 4555 2 67 . 2 2 7 7 DT H2'' H 1 2.51 .03 . 1 . . . . . . . . 4555 2 68 . 2 2 7 7 DT H3' H 1 4.91 .03 . 1 . . . . . . . . 4555 2 69 . 2 2 7 7 DT H4' H 1 4.17 .03 . 1 . . . . . . . . 4555 2 70 . 2 2 7 7 DT P P 31 -4.16 .03 . 1 . . . . . . . . 4555 2 71 . 2 2 8 8 DG H1 H 1 12.39 .03 . 1 . . . . . . . . 4555 2 72 . 2 2 8 8 DG H8 H 1 7.88 .03 . 1 . . . . . . . . 4555 2 73 . 2 2 8 8 DG H1' H 1 5.93 .03 . 1 . . . . . . . . 4555 2 74 . 2 2 8 8 DG H2' H 1 2.61 .03 . 1 . . . . . . . . 4555 2 75 . 2 2 8 8 DG H2'' H 1 2.76 .03 . 1 . . . . . . . . 4555 2 76 . 2 2 8 8 DG H3' H 1 4.97 .03 . 1 . . . . . . . . 4555 2 77 . 2 2 8 8 DG H4' H 1 4.39 .03 . 1 . . . . . . . . 4555 2 78 . 2 2 8 8 DG P P 31 -4.25 .03 . 1 . . . . . . . . 4555 2 79 . 2 2 9 9 DT H3 H 1 13.46 .03 . 1 . . . . . . . . 4555 2 80 . 2 2 9 9 DT H6 H 1 7.15 .03 . 1 . . . . . . . . 4555 2 81 . 2 2 9 9 DT H71 H 1 1.39 .03 . 1 . . . . . . . . 4555 2 82 . 2 2 9 9 DT H72 H 1 1.39 .03 . 1 . . . . . . . . 4555 2 83 . 2 2 9 9 DT H73 H 1 1.39 .03 . 1 . . . . . . . . 4555 2 84 . 2 2 9 9 DT H1' H 1 5.78 .03 . 1 . . . . . . . . 4555 2 85 . 2 2 9 9 DT H2' H 1 2.04 .03 . 1 . . . . . . . . 4555 2 86 . 2 2 9 9 DT H2'' H 1 2.43 .03 . 1 . . . . . . . . 4555 2 87 . 2 2 9 9 DT H3' H 1 4.86 .03 . 1 . . . . . . . . 4555 2 88 . 2 2 9 9 DT H4' H 1 4.19 .03 . 1 . . . . . . . . 4555 2 89 . 2 2 9 9 DT P P 31 -4.29 .03 . 1 . . . . . . . . 4555 2 90 . 2 2 10 10 DG H1 H 1 12.64 .03 . 1 . . . . . . . . 4555 2 91 . 2 2 10 10 DG H8 H 1 7.84 .03 . 1 . . . . . . . . 4555 2 92 . 2 2 10 10 DG H1' H 1 5.81 .03 . 1 . . . . . . . . 4555 2 93 . 2 2 10 10 DG H2' H 1 2.60 .03 . 2 . . . . . . . . 4555 2 94 . 2 2 10 10 DG H2'' H 1 2.67 .03 . 2 . . . . . . . . 4555 2 95 . 2 2 10 10 DG H3' H 1 4.97 .03 . 1 . . . . . . . . 4555 2 96 . 2 2 10 10 DG H4' H 1 4.33 .03 . 1 . . . . . . . . 4555 2 97 . 2 2 10 10 DG P P 31 -4.16 .03 . 1 . . . . . . . . 4555 2 98 . 2 2 11 11 DC H41 H 1 6.32 .03 . 2 . . . . . . . . 4555 2 99 . 2 2 11 11 DC H42 H 1 8.31 .03 . 2 . . . . . . . . 4555 2 100 . 2 2 11 11 DC H5 H 1 5.39 .03 . 1 . . . . . . . . 4555 2 101 . 2 2 11 11 DC H6 H 1 7.34 .03 . 1 . . . . . . . . 4555 2 102 . 2 2 11 11 DC H1' H 1 5.47 .03 . 1 . . . . . . . . 4555 2 103 . 2 2 11 11 DC H2' H 1 1.88 .03 . 1 . . . . . . . . 4555 2 104 . 2 2 11 11 DC H2'' H 1 2.23 .03 . 1 . . . . . . . . 4555 2 105 . 2 2 11 11 DC H3' H 1 4.79 .03 . 1 . . . . . . . . 4555 2 106 . 2 2 11 11 DC H4' H 1 4.12 .03 . 1 . . . . . . . . 4555 2 107 . 2 2 11 11 DC H5' H 1 3.97 .03 . 2 . . . . . . . . 4555 2 108 . 2 2 11 11 DC H5'' H 1 4.34 .03 . 2 . . . . . . . . 4555 2 109 . 2 2 11 11 DC P P 31 -4.15 .003 . 1 . . . . . . . . 4555 2 110 . 2 2 12 12 DA H2 H 1 7.72 .03 . 1 . . . . . . . . 4555 2 111 . 2 2 12 12 DA H8 H 1 8.15 .03 . 1 . . . . . . . . 4555 2 112 . 2 2 12 12 DA H1' H 1 5.89 .03 . 1 . . . . . . . . 4555 2 113 . 2 2 12 12 DA H2' H 1 2.68 .03 . 5 . . . . . . . . 4555 2 114 . 2 2 12 12 DA H2'' H 1 2.81 .03 . 1 . . . . . . . . 4555 2 115 . 2 2 12 12 DA H3' H 1 5.01 .03 . 1 . . . . . . . . 4555 2 116 . 2 2 12 12 DA H4' H 1 4.34 .03 . 1 . . . . . . . . 4555 2 117 . 2 2 12 12 DA P P 31 -4.17 .03 . 1 . . . . . . . . 4555 2 118 . 2 2 13 13 DG H1 H 1 12.85 .03 . 1 . . . . . . . . 4555 2 119 . 2 2 13 13 DG H8 H 1 7.66 .03 . 1 . . . . . . . . 4555 2 120 . 2 2 13 13 DG H1' H 1 5.63 .03 . 1 . . . . . . . . 4555 2 121 . 2 2 13 13 DG H2' H 1 2.50 .03 . 1 . . . . . . . . 4555 2 122 . 2 2 13 13 DG H2'' H 1 2.65 .03 . 1 . . . . . . . . 4555 2 123 . 2 2 13 13 DG H3' H 1 4.96 .03 . 1 . . . . . . . . 4555 2 124 . 2 2 13 13 DG H4' H 1 4.35 .03 . 1 . . . . . . . . 4555 2 125 . 2 2 13 13 DG H5' H 1 4.14 .03 . 2 . . . . . . . . 4555 2 126 . 2 2 13 13 DG H5'' H 1 4.21 .03 . 2 . . . . . . . . 4555 2 127 . 2 2 13 13 DG P P 31 -3.94 .03 . 1 . . . . . . . . 4555 2 128 . 2 2 14 14 DG H8 H 1 7.69 .03 . 1 . . . . . . . . 4555 2 129 . 2 2 14 14 DG H1' H 1 6.11 .03 . 1 . . . . . . . . 4555 2 130 . 2 2 14 14 DG H2' H 1 2.36 .03 . 2 . . . . . . . . 4555 2 131 . 2 2 14 14 DG H2'' H 1 2.43 .03 . 2 . . . . . . . . 4555 2 132 . 2 2 14 14 DG H3' H 1 4.60 .03 . 1 . . . . . . . . 4555 2 133 . 2 2 14 14 DG H4' H 1 4.19 .03 . 1 . . . . . . . . 4555 2 stop_ save_