data_27769 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27769 _Entry.Title ; GA-branchsite-containing RNA duplex with unmodified U2 snRNA site ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-30 _Entry.Accession_date 2019-01-30 _Entry.Last_release_date 2019-02-01 _Entry.Original_release_date 2019-02-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Scott Kennedy . D. . . 27769 2 Clara Kielkopf . L. . . 27769 3 William Bauer . J. . . 27769 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27769 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 36 27769 '1H chemical shifts' 182 27769 '31P chemical shifts' 19 27769 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-03-08 . original BMRB . 27769 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27770 'GA-branchsite-containing RNA duplex with pseudouridine-modified U2 snRNA site' 27769 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27769 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30797552 _Citation.Full_citation . _Citation.Title ; Dynamic stacking of an expected branch point adenosine in duplexes containing pseudouridine-modified or unmodified U2 snRNA sites ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 511 _Citation.Journal_issue 2 _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 416 _Citation.Page_last 421 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Scott Kennedy . D. . . 27769 1 2 William Bauer . J. . . 27769 1 3 Wenhua Wang . . . . 27769 1 4 Clara Kielkopf . L. . . 27769 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA structure' 27769 1 'U2 snRNA' 27769 1 'branch point sequence' 27769 1 'pre-mRNA splicing' 27769 1 pseudouridine 27769 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27769 _Assembly.ID 1 _Assembly.Name 'Branchpoint duplex with pseudoU U2 snRNA site' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA with branchpoint sequence' 1 $RNA_with_branchpoint_sequence A . yes native no no . . . 27769 1 2 'RNA with unmodified U2 snRNA site' 2 $RNA_with_unmodified_U2_snRNA_site A . yes native no no . . . 27769 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_with_branchpoint_sequence _Entity.Sf_category entity _Entity.Sf_framecode RNA_with_branchpoint_sequence _Entity.Entry_ID 27769 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_with_branchpoint_sequence _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCUACUGACGA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 1 _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment '"GA"-BPS sequence' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID intron 27769 1 'pre-mRNA splicing' 27769 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 G . 27769 1 2 2 C . 27769 1 3 3 U . 27769 1 4 4 A . 27769 1 5 5 C . 27769 1 6 6 U . 27769 1 7 7 G . 27769 1 8 8 A . 27769 1 9 9 C . 27769 1 10 10 G . 27769 1 11 11 A . 27769 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 . G 1 1 27769 1 . C 2 2 27769 1 . U 3 3 27769 1 . A 4 4 27769 1 . C 5 5 27769 1 . U 6 6 27769 1 . G 7 7 27769 1 . A 8 8 27769 1 . C 9 9 27769 1 . G 10 10 27769 1 . A 11 11 27769 1 stop_ save_ save_RNA_with_unmodified_U2_snRNA_site _Entity.Sf_category entity _Entity.Sf_framecode RNA_with_unmodified_U2_snRNA_site _Entity.Entry_ID 27769 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_with_unmodified_U2_snRNA_site _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGUAGUAGCA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 1 _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'U2 small nuclear RNA' 27769 2 'pre-mRNA splicing' 27769 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 33 C . 27769 2 2 34 G . 27769 2 3 35 U . 27769 2 4 36 A . 27769 2 5 37 G . 27769 2 6 38 U . 27769 2 7 39 A . 27769 2 8 40 G . 27769 2 9 41 C . 27769 2 10 42 A . 27769 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 . C 1 1 27769 2 . G 2 2 27769 2 . U 3 3 27769 2 . A 4 4 27769 2 . G 5 5 27769 2 . U 6 6 27769 2 . A 7 7 27769 2 . G 8 8 27769 2 . C 9 9 27769 2 . A 10 10 27769 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 27769 _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 $RNA_with_branchpoint_sequence . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27769 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 27769 _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 $RNA_with_branchpoint_sequence . 'chemical synthesis' NA . . . . . . . . NA . . NA . . . 27769 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27769 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA with branchpoint sequence' 'natural abundance' . . 1 $RNA_with_branchpoint_sequence . . 1 . . mM . . . . 27769 1 2 'RNA with unmodified U2 snRNA site' 'natural abundance' . . 2 $RNA_with_unmodified_U2_snRNA_site . . 1 . . mM . . . . 27769 1 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27769 1 4 EDTA 'natural abundance' . . . . . . 0.25 . . mM . . . . 27769 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27769 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA with branchpoint sequence' 'natural abundance' . . 1 $RNA_with_branchpoint_sequence . . 1 . . mM . . . . 27769 2 2 'RNA with unmodified U2 snRNA site' 'natural abundance' . . 2 $RNA_with_unmodified_U2_snRNA_site . . 1 . . mM . . . . 27769 2 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27769 2 4 EDTA 'natural abundance' . . . . . . 0.25 . . mM . . . . 27769 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27769 _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' 0.017 . M 27769 1 pH 6.8 . pH 27769 1 pressure 1 . atm 27769 1 temperature 298 . K 27769 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27769 _Sample_condition_list.ID 2 _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' 0.017 . M 27769 2 pH 6.8 . pH 27769 2 pressure 1 . mbar 27769 2 temperature 273 . K 27769 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 27769 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version 6.1C _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27769 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27769 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27769 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27769 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27769 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27769 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27769 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27769 3 'peak picking' 27769 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27769 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27769 _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 spectrometer_1 Varian INOVA . 600 . . . 27769 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 27769 _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 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27769 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27769 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27769 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27769 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27769 1 6 '2D 1H-31P COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27769 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27769 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27769 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27769 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 27769 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27769 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 27769 1 3 '2D 1H-1H TOCSY' . . . 27769 1 4 '2D 1H-13C HSQC' . . . 27769 1 6 '2D 1H-31P COSY' . . . 27769 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.89 0.01 . 1 . . . . . 1 G H1' . 27769 1 2 . 1 1 1 1 G H2' H 1 4.82 0.01 . 1 . . . . . 1 G H2' . 27769 1 3 . 1 1 1 1 G H3' H 1 4.57 0.01 . 1 . . . . . 1 G H3' . 27769 1 4 . 1 1 1 1 G H4' H 1 4.45 0.01 . 1 . . . . . 1 G H4' . 27769 1 5 . 1 1 1 1 G H5' H 1 4.12 0.01 . 2 . . . . . 1 G H5' . 27769 1 6 . 1 1 1 1 G H5'' H 1 3.96 0.01 . 2 . . . . . 1 G H5'' . 27769 1 7 . 1 1 1 1 G H8 H 1 8.14 0.01 . 1 . . . . . 1 G H8 . 27769 1 8 . 1 1 1 1 G C8 C 13 138.64 0.2 . 1 . . . . . 1 G C8 . 27769 1 9 . 1 1 2 2 C H1' H 1 5.58 0.01 . 1 . . . . . 2 C H1' . 27769 1 10 . 1 1 2 2 C H2' H 1 4.45 0.01 . 1 . . . . . 2 C H2' . 27769 1 11 . 1 1 2 2 C H3' H 1 4.54 0.01 . 1 . . . . . 2 C H3' . 27769 1 12 . 1 1 2 2 C H4' H 1 4.49 0.01 . 1 . . . . . 2 C H4' . 27769 1 13 . 1 1 2 2 C H5 H 1 5.26 0.01 . 1 . . . . . 2 C H5 . 27769 1 14 . 1 1 2 2 C H5'' H 1 4.17 0.01 . 2 . . . . . 2 C H5'' . 27769 1 15 . 1 1 2 2 C H6 H 1 7.85 0.01 . 1 . . . . . 2 C H6 . 27769 1 16 . 1 1 2 2 C C5 C 13 96.83 0.2 . 1 . . . . . 2 C C5 . 27769 1 17 . 1 1 2 2 C C6 C 13 141.75 0.2 . 1 . . . . . 2 C C6 . 27769 1 18 . 1 1 2 2 C P P 31 -4.24 0.03 . 1 . . . . . 2 C P . 27769 1 19 . 1 1 3 3 U H1' H 1 5.53 0.01 . 1 . . . . . 3 U H1' . 27769 1 20 . 1 1 3 3 U H2' H 1 4.6 0.01 . 1 . . . . . 3 U H2' . 27769 1 21 . 1 1 3 3 U H3' H 1 4.64 0.01 . 1 . . . . . 3 U H3' . 27769 1 22 . 1 1 3 3 U H4' H 1 4.46 0.01 . 1 . . . . . 3 U H4' . 27769 1 23 . 1 1 3 3 U H5 H 1 5.51 0.01 . 1 . . . . . 3 U H5 . 27769 1 24 . 1 1 3 3 U H5'' H 1 4.15 0.01 . 2 . . . . . 3 U H5'' . 27769 1 25 . 1 1 3 3 U H6 H 1 7.9 0.01 . 1 . . . . . 3 U H6 . 27769 1 26 . 1 1 3 3 U C5 C 13 103.6 0.2 . 1 . . . . . 3 U C5 . 27769 1 27 . 1 1 3 3 U C6 C 13 141.76 0.2 . 1 . . . . . 3 U C6 . 27769 1 28 . 1 1 3 3 U P P 31 -3.94 0.03 . 1 . . . . . 3 U P . 27769 1 29 . 1 1 4 4 A H1' H 1 5.97 0.01 . 1 . . . . . 4 A H1' . 27769 1 30 . 1 1 4 4 A H2 H 1 7.04 0.01 . 1 . . . . . 4 A H2 . 27769 1 31 . 1 1 4 4 A H2' H 1 4.56 0.01 . 1 . . . . . 4 A H2' . 27769 1 32 . 1 1 4 4 A H3' H 1 4.65 0.01 . 1 . . . . . 4 A H3' . 27769 1 33 . 1 1 4 4 A H4' H 1 4.53 0.01 . 1 . . . . . 4 A H4' . 27769 1 34 . 1 1 4 4 A H5'' H 1 4.19 0.01 . 2 . . . . . 4 A H5'' . 27769 1 35 . 1 1 4 4 A H8 H 1 8.17 0.01 . 1 . . . . . 4 A H8 . 27769 1 36 . 1 1 4 4 A C2 C 13 153.26 0.2 . 1 . . . . . 4 A C2 . 27769 1 37 . 1 1 4 4 A C8 C 13 139.63 0.2 . 1 . . . . . 4 A C8 . 27769 1 38 . 1 1 4 4 A P P 31 -3.84 0.03 . 1 . . . . . 4 A P . 27769 1 39 . 1 1 5 5 C H1' H 1 5.27 0.01 . 1 . . . . . 5 C H1' . 27769 1 40 . 1 1 5 5 C H2' H 1 4.05 0.01 . 1 . . . . . 5 C H2' . 27769 1 41 . 1 1 5 5 C H3' H 1 4.31 0.01 . 1 . . . . . 5 C H3' . 27769 1 42 . 1 1 5 5 C H4' H 1 4.36 0.01 . 1 . . . . . 5 C H4' . 27769 1 43 . 1 1 5 5 C H5 H 1 5.23 0.01 . 1 . . . . . 5 C H5 . 27769 1 44 . 1 1 5 5 C H5'' H 1 4.03 0.01 . 2 . . . . . 5 C H5'' . 27769 1 45 . 1 1 5 5 C H6 H 1 7.43 0.01 . 1 . . . . . 5 C H6 . 27769 1 46 . 1 1 5 5 C C5 C 13 97.09 0.2 . 1 . . . . . 5 C C5 . 27769 1 47 . 1 1 5 5 C C6 C 13 140.85 0.2 . 1 . . . . . 5 C C6 . 27769 1 48 . 1 1 5 5 C P P 31 -4.07 0.03 . 1 . . . . . 5 C P . 27769 1 49 . 1 1 6 6 U H1' H 1 5.76 0.01 . 1 . . . . . 6 U H1' . 27769 1 50 . 1 1 6 6 U H2' H 1 4.28 0.01 . 1 . . . . . 6 U H2' . 27769 1 51 . 1 1 6 6 U H3' H 1 4.6 0.01 . 1 . . . . . 6 U H3' . 27769 1 52 . 1 1 6 6 U H4' H 1 4.24 0.01 . 1 . . . . . 6 U H4' . 27769 1 53 . 1 1 6 6 U H5 H 1 5.31 0.01 . 1 . . . . . 6 U H5 . 27769 1 54 . 1 1 6 6 U H5' H 1 4.27 0.01 . 2 . . . . . 6 U H5' . 27769 1 55 . 1 1 6 6 U H5'' H 1 4.01 0.01 . 2 . . . . . 6 U H5'' . 27769 1 56 . 1 1 6 6 U H6 H 1 7.64 0.01 . 1 . . . . . 6 U H6 . 27769 1 57 . 1 1 6 6 U C5 C 13 104.5 0.2 . 1 . . . . . 6 U C5 . 27769 1 58 . 1 1 6 6 U C6 C 13 142.44 0.2 . 1 . . . . . 6 U C6 . 27769 1 59 . 1 1 6 6 U P P 31 -4.39 0.03 . 1 . . . . . 6 U P . 27769 1 60 . 1 1 7 7 G H1' H 1 5.84 0.01 . 1 . . . . . 7 G H1' . 27769 1 61 . 1 1 7 7 G H2' H 1 4.69 0.01 . 1 . . . . . 7 G H2' . 27769 1 62 . 1 1 7 7 G H3' H 1 5.02 0.01 . 1 . . . . . 7 G H3' . 27769 1 63 . 1 1 7 7 G H4' H 1 4.48 0.01 . 1 . . . . . 7 G H4' . 27769 1 64 . 1 1 7 7 G H5' H 1 4.33 0.01 . 2 . . . . . 7 G H5' . 27769 1 65 . 1 1 7 7 G H5'' H 1 4.19 0.01 . 2 . . . . . 7 G H5'' . 27769 1 66 . 1 1 7 7 G H8 H 1 7.89 0.01 . 1 . . . . . 7 G H8 . 27769 1 67 . 1 1 7 7 G C8 C 13 140.07 0.2 . 1 . . . . . 7 G C8 . 27769 1 68 . 1 1 7 7 G P P 31 -3.25 0.03 . 1 . . . . . 7 G P . 27769 1 69 . 1 1 8 8 A H1' H 1 5.97 0.01 . 1 . . . . . 8 A H1' . 27769 1 70 . 1 1 8 8 A H2 H 1 7.62 0.01 . 1 . . . . . 8 A H2 . 27769 1 71 . 1 1 8 8 A H2' H 1 4.68 0.01 . 1 . . . . . 8 A H2' . 27769 1 72 . 1 1 8 8 A H3' H 1 4.62 0.01 . 1 . . . . . 8 A H3' . 27769 1 73 . 1 1 8 8 A H4' H 1 4.58 0.01 . 1 . . . . . 8 A H4' . 27769 1 74 . 1 1 8 8 A H5' H 1 4.32 0.01 . 2 . . . . . 8 A H5' . 27769 1 75 . 1 1 8 8 A H5'' H 1 4.42 0.01 . 2 . . . . . 8 A H5'' . 27769 1 76 . 1 1 8 8 A H8 H 1 8.29 0.01 . 1 . . . . . 8 A H8 . 27769 1 77 . 1 1 8 8 A C2 C 13 153.86 0.2 . 1 . . . . . 8 A C2 . 27769 1 78 . 1 1 8 8 A C8 C 13 141.18 0.2 . 1 . . . . . 8 A C8 . 27769 1 79 . 1 1 8 8 A P P 31 -3.6 0.03 . 1 . . . . . 8 A P . 27769 1 80 . 1 1 9 9 C H1' H 1 5.49 0.01 . 1 . . . . . 9 C H1' . 27769 1 81 . 1 1 9 9 C H2' H 1 4.38 0.01 . 1 . . . . . 9 C H2' . 27769 1 82 . 1 1 9 9 C H3' H 1 4.42 0.01 . 1 . . . . . 9 C H3' . 27769 1 83 . 1 1 9 9 C H4' H 1 4.43 0.01 . 1 . . . . . 9 C H4' . 27769 1 84 . 1 1 9 9 C H5 H 1 5.14 0.01 . 1 . . . . . 9 C H5 . 27769 1 85 . 1 1 9 9 C H5'' H 1 4.15 0.01 . 2 . . . . . 9 C H5'' . 27769 1 86 . 1 1 9 9 C H6 H 1 7.47 0.01 . 1 . . . . . 9 C H6 . 27769 1 87 . 1 1 9 9 C C5 C 13 97.64 0.2 . 1 . . . . . 9 C C5 . 27769 1 88 . 1 1 9 9 C C6 C 13 140.9 0.2 . 1 . . . . . 9 C C6 . 27769 1 89 . 1 1 9 9 C P P 31 -3.88 0.03 . 1 . . . . . 9 C P . 27769 1 90 . 1 1 10 10 G H1' H 1 5.69 0.01 . 1 . . . . . 10 G H1' . 27769 1 91 . 1 1 10 10 G H2' H 1 4.5 0.01 . 1 . . . . . 10 G H2' . 27769 1 92 . 1 1 10 10 G H3' H 1 4.54 0.01 . 1 . . . . . 10 G H3' . 27769 1 93 . 1 1 10 10 G H4' H 1 4.41 0.01 . 1 . . . . . 10 G H4' . 27769 1 94 . 1 1 10 10 G H5' H 1 4.43 0.01 . 2 . . . . . 10 G H5' . 27769 1 95 . 1 1 10 10 G H5'' H 1 4.1 0.01 . 2 . . . . . 10 G H5'' . 27769 1 96 . 1 1 10 10 G H8 H 1 7.49 0.01 . 1 . . . . . 10 G H8 . 27769 1 97 . 1 1 10 10 G C8 C 13 136.46 0.2 . 1 . . . . . 10 G C8 . 27769 1 98 . 1 1 10 10 G P P 31 -3.76 0.03 . 1 . . . . . 10 G P . 27769 1 99 . 1 1 11 11 A H1' H 1 5.97 0.01 . 1 . . . . . 11 A H1' . 27769 1 100 . 1 1 11 11 A H2 H 1 7.86 0.01 . 1 . . . . . 11 A H2 . 27769 1 101 . 1 1 11 11 A H2' H 1 4.13 0.01 . 1 . . . . . 11 A H2' . 27769 1 102 . 1 1 11 11 A H3' H 1 4.28 0.01 . 1 . . . . . 11 A H3' . 27769 1 103 . 1 1 11 11 A H4' H 1 4.26 0.01 . 1 . . . . . 11 A H4' . 27769 1 104 . 1 1 11 11 A H5'' H 1 4.06 0.01 . 2 . . . . . 11 A H5'' . 27769 1 105 . 1 1 11 11 A H8 H 1 7.87 0.01 . 1 . . . . . 11 A H8 . 27769 1 106 . 1 1 11 11 A C2 C 13 155.06 0.2 . 1 . . . . . 11 A C2 . 27769 1 107 . 1 1 11 11 A C8 C 13 140.28 0.2 . 1 . . . . . 11 A C8 . 27769 1 108 . 1 1 11 11 A P P 31 -3.85 0.03 . 1 . . . . . 11 A P . 27769 1 109 . 2 2 1 1 C H1' H 1 5.65 0.01 . 1 . . . . . 33 C H1' . 27769 1 110 . 2 2 1 1 C H2' H 1 4.67 0.01 . 1 . . . . . 33 C H2' . 27769 1 111 . 2 2 1 1 C H3' H 1 4.53 0.01 . 1 . . . . . 33 C H3' . 27769 1 112 . 2 2 1 1 C H4' H 1 4.38 0.01 . 1 . . . . . 33 C H4' . 27769 1 113 . 2 2 1 1 C H5 H 1 5.99 0.01 . 1 . . . . . 33 C H5 . 27769 1 114 . 2 2 1 1 C H5' H 1 4.08 0.01 . 2 . . . . . 33 C H5' . 27769 1 115 . 2 2 1 1 C H5'' H 1 3.96 0.01 . 2 . . . . . 33 C H5'' . 27769 1 116 . 2 2 1 1 C H6 H 1 8.08 0.01 . 1 . . . . . 33 C H6 . 27769 1 117 . 2 2 1 1 C C5 C 13 98.86 0.2 . 1 . . . . . 33 C C5 . 27769 1 118 . 2 2 1 1 C C6 C 13 142.52 0.2 . 1 . . . . . 33 C C6 . 27769 1 119 . 2 2 2 2 G H1' H 1 5.75 0.01 . 1 . . . . . 34 G H1' . 27769 1 120 . 2 2 2 2 G H2' H 1 4.57 0.01 . 1 . . . . . 34 G H2' . 27769 1 121 . 2 2 2 2 G H3' H 1 4.57 0.01 . 1 . . . . . 34 G H3' . 27769 1 122 . 2 2 2 2 G H4' H 1 4.5 0.01 . 1 . . . . . 34 G H4' . 27769 1 123 . 2 2 2 2 G H5'' H 1 4.18 0.01 . 2 . . . . . 34 G H5'' . 27769 1 124 . 2 2 2 2 G H8 H 1 7.67 0.01 . 1 . . . . . 34 G H8 . 27769 1 125 . 2 2 2 2 G C8 C 13 136.48 0.2 . 1 . . . . . 34 G C8 . 27769 1 126 . 2 2 2 2 G P P 31 -3.6 0.03 . 1 . . . . . 34 G P . 27769 1 127 . 2 2 3 3 U H1' H 1 5.51 0.01 . 1 . . . . . 35 U H1' . 27769 1 128 . 2 2 3 3 U H2' H 1 4.47 0.01 . 1 . . . . . 35 U H2' . 27769 1 129 . 2 2 3 3 U H3' H 1 4.53 0.01 . 1 . . . . . 35 U H3' . 27769 1 130 . 2 2 3 3 U H4' H 1 4.44 0.01 . 1 . . . . . 35 U H4' . 27769 1 131 . 2 2 3 3 U H5 H 1 5.22 0.01 . 1 . . . . . 35 U H5 . 27769 1 132 . 2 2 3 3 U H5' H 1 4.52 0.01 . 2 . . . . . 35 U H5' . 27769 1 133 . 2 2 3 3 U H5'' H 1 4.13 0.01 . 2 . . . . . 35 U H5'' . 27769 1 134 . 2 2 3 3 U H6 H 1 7.56 0.01 . 1 . . . . . 35 U H6 . 27769 1 135 . 2 2 3 3 U C5 C 13 103.4 0.2 . 1 . . . . . 35 U C5 . 27769 1 136 . 2 2 3 3 U C6 C 13 141.01 0.2 . 1 . . . . . 35 U C6 . 27769 1 137 . 2 2 3 3 U P P 31 -3.52 0.03 . 1 . . . . . 35 U P . 27769 1 138 . 2 2 4 4 A H1' H 1 5.89 0.01 . 1 . . . . . 36 A H1' . 27769 1 139 . 2 2 4 4 A H2 H 1 7.03 0.01 . 1 . . . . . 36 A H2 . 27769 1 140 . 2 2 4 4 A H2' H 1 4.74 0.01 . 1 . . . . . 36 A H2' . 27769 1 141 . 2 2 4 4 A H3' H 1 4.69 0.01 . 1 . . . . . 36 A H3' . 27769 1 142 . 2 2 4 4 A H4' H 1 4.5 0.01 . 1 . . . . . 36 A H4' . 27769 1 143 . 2 2 4 4 A H8 H 1 8.22 0.01 . 1 . . . . . 36 A H8 . 27769 1 144 . 2 2 4 4 A C2 C 13 153.16 0.2 . 1 . . . . . 36 A C2 . 27769 1 145 . 2 2 4 4 A C8 C 13 140.05 0.2 . 1 . . . . . 36 A C8 . 27769 1 146 . 2 2 4 4 A P P 31 -3.59 0.03 . 1 . . . . . 36 A P . 27769 1 147 . 2 2 5 5 G H1' H 1 5.34 0.01 . 1 . . . . . 37 G H1' . 27769 1 148 . 2 2 5 5 G H2' H 1 4.3 0.01 . 1 . . . . . 37 G H2' . 27769 1 149 . 2 2 5 5 G H3' H 1 4.32 0.01 . 1 . . . . . 37 G H3' . 27769 1 150 . 2 2 5 5 G H4' H 1 4.42 0.01 . 1 . . . . . 37 G H4' . 27769 1 151 . 2 2 5 5 G H5'' H 1 4.07 0.01 . 2 . . . . . 37 G H5'' . 27769 1 152 . 2 2 5 5 G H8 H 1 7.17 0.01 . 1 . . . . . 37 G H8 . 27769 1 153 . 2 2 5 5 G C8 C 13 135.81 0.2 . 1 . . . . . 37 G C8 . 27769 1 154 . 2 2 5 5 G P P 31 -3.76 0.03 . 1 . . . . . 37 G P . 27769 1 155 . 2 2 6 6 U H1' H 1 5.48 0.01 . 1 . . . . . 38 U H1' . 27769 1 156 . 2 2 6 6 U H2' H 1 4.45 0.01 . 1 . . . . . 38 U H2' . 27769 1 157 . 2 2 6 6 U H3' H 1 4.57 0.01 . 1 . . . . . 38 U H3' . 27769 1 158 . 2 2 6 6 U H4' H 1 4.39 0.01 . 1 . . . . . 38 U H4' . 27769 1 159 . 2 2 6 6 U H5 H 1 5.07 0.01 . 1 . . . . . 38 U H5 . 27769 1 160 . 2 2 6 6 U H5' H 1 4.52 0.01 . 2 . . . . . 38 U H5' . 27769 1 161 . 2 2 6 6 U H5'' H 1 4.07 0.01 . 2 . . . . . 38 U H5'' . 27769 1 162 . 2 2 6 6 U H6 H 1 7.68 0.01 . 1 . . . . . 38 U H6 . 27769 1 163 . 2 2 6 6 U C5 C 13 102.8 0.2 . 1 . . . . . 38 U C5 . 27769 1 164 . 2 2 6 6 U C6 C 13 141.22 0.2 . 1 . . . . . 38 U C6 . 27769 1 165 . 2 2 6 6 U P P 31 -4.45 0.03 . 1 . . . . . 38 U P . 27769 1 166 . 2 2 7 7 A H1' H 1 5.98 0.01 . 1 . . . . . 39 A H1' . 27769 1 167 . 2 2 7 7 A H2 H 1 6.79 0.01 . 1 . . . . . 39 A H2 . 27769 1 168 . 2 2 7 7 A H2' H 1 4.62 0.01 . 1 . . . . . 39 A H2' . 27769 1 169 . 2 2 7 7 A H3' H 1 4.73 0.01 . 1 . . . . . 39 A H3' . 27769 1 170 . 2 2 7 7 A H4' H 1 4.51 0.01 . 1 . . . . . 39 A H4' . 27769 1 171 . 2 2 7 7 A H5'' H 1 4.16 0.01 . 2 . . . . . 39 A H5'' . 27769 1 172 . 2 2 7 7 A H8 H 1 8.07 0.01 . 1 . . . . . 39 A H8 . 27769 1 173 . 2 2 7 7 A C2 C 13 152.66 0.2 . 1 . . . . . 39 A C2 . 27769 1 174 . 2 2 7 7 A C8 C 13 139.58 0.2 . 1 . . . . . 39 A C8 . 27769 1 175 . 2 2 7 7 A P P 31 -3.71 0.03 . 1 . . . . . 39 A P . 27769 1 176 . 2 2 8 8 G H1' H 1 5.59 0.01 . 1 . . . . . 40 G H1' . 27769 1 177 . 2 2 8 8 G H2' H 1 4.38 0.01 . 1 . . . . . 40 G H2' . 27769 1 178 . 2 2 8 8 G H3' H 1 4.39 0.01 . 1 . . . . . 40 G H3' . 27769 1 179 . 2 2 8 8 G H4' H 1 4.43 0.01 . 1 . . . . . 40 G H4' . 27769 1 180 . 2 2 8 8 G H5' H 1 4.46 0.01 . 2 . . . . . 40 G H5' . 27769 1 181 . 2 2 8 8 G H5'' H 1 4.09 0.01 . 2 . . . . . 40 G H5'' . 27769 1 182 . 2 2 8 8 G H8 H 1 7.3 0.01 . 1 . . . . . 40 G H8 . 27769 1 183 . 2 2 8 8 G C8 C 13 135.67 0.2 . 1 . . . . . 40 G C8 . 27769 1 184 . 2 2 8 8 G P P 31 -3.87 0.03 . 1 . . . . . 40 G P . 27769 1 185 . 2 2 9 9 C H1' H 1 5.42 0.01 . 1 . . . . . 41 C H1' . 27769 1 186 . 2 2 9 9 C H2' H 1 4.36 0.01 . 1 . . . . . 41 C H2' . 27769 1 187 . 2 2 9 9 C H3' H 1 4.36 0.01 . 1 . . . . . 41 C H3' . 27769 1 188 . 2 2 9 9 C H4' H 1 4.38 0.01 . 1 . . . . . 41 C H4' . 27769 1 189 . 2 2 9 9 C H5 H 1 5.09 0.01 . 1 . . . . . 41 C H5 . 27769 1 190 . 2 2 9 9 C H5' H 1 4.48 0.01 . 2 . . . . . 41 C H5' . 27769 1 191 . 2 2 9 9 C H5'' H 1 4.03 0.01 . 2 . . . . . 41 C H5'' . 27769 1 192 . 2 2 9 9 C H6 H 1 7.37 0.01 . 1 . . . . . 41 C H6 . 27769 1 193 . 2 2 9 9 C C5 C 13 97.4 0.2 . 1 . . . . . 41 C C5 . 27769 1 194 . 2 2 9 9 C C6 C 13 139.91 0.2 . 1 . . . . . 41 C C6 . 27769 1 195 . 2 2 9 9 C P P 31 -4.13 0.03 . 1 . . . . . 41 C P . 27769 1 196 . 2 2 10 10 A H1' H 1 6.01 0.01 . 1 . . . . . 42 A H1' . 27769 1 197 . 2 2 10 10 A H2 H 1 7.45 0.01 . 1 . . . . . 42 A H2 . 27769 1 198 . 2 2 10 10 A H2' H 1 4.05 0.01 . 1 . . . . . 42 A H2' . 27769 1 199 . 2 2 10 10 A H3' H 1 4.3 0.01 . 1 . . . . . 42 A H3' . 27769 1 200 . 2 2 10 10 A H4' H 1 4.23 0.01 . 1 . . . . . 42 A H4' . 27769 1 201 . 2 2 10 10 A H5'' H 1 4.03 0.01 . 2 . . . . . 42 A H5'' . 27769 1 202 . 2 2 10 10 A H8 H 1 8.03 0.01 . 1 . . . . . 42 A H8 . 27769 1 203 . 2 2 10 10 A C2 C 13 154.46 0.2 . 1 . . . . . 42 A C2 . 27769 1 204 . 2 2 10 10 A C8 C 13 140.13 0.2 . 1 . . . . . 42 A C8 . 27769 1 205 . 2 2 10 10 A P P 31 -3.72 0.03 . 1 . . . . . 42 A P . 27769 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27769 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 27769 2 5 '2D 1H-13C HSQC' . . . 27769 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.71 0.02 . 1 . . . . . 1 G H1 . 27769 2 2 . 1 1 1 1 G H21 H 1 6.33 0.05 . 2 . . . . . 1 G H21 . 27769 2 3 . 1 1 1 1 G H22 H 1 8.40 0.05 . 2 . . . . . 1 G H22 . 27769 2 4 . 1 1 2 2 C H41 H 1 8.62 0.05 . 2 . . . . . 2 C H41 . 27769 2 5 . 1 1 2 2 C H42 H 1 6.86 0.05 . 2 . . . . . 2 C H42 . 27769 2 6 . 1 1 3 3 U H3 H 1 13.29 0.02 . 1 . . . . . 3 U H3 . 27769 2 7 . 1 1 4 4 A H61 H 1 7.87 0.05 . 2 . . . . . 4 A H61 . 27769 2 8 . 1 1 4 4 A H62 H 1 6.48 0.05 . 2 . . . . . 4 A H62 . 27769 2 9 . 1 1 5 5 C H41 H 1 8.08 0.05 . 2 . . . . . 5 C H41 . 27769 2 10 . 1 1 5 5 C H42 H 1 7.13 0.05 . 2 . . . . . 5 C H42 . 27769 2 11 . 1 1 6 6 U H3 H 1 13.33 0.1 . 1 . . . . . 6 U H3 . 27769 2 12 . 1 1 7 7 G H1 H 1 10.49 0.1 . 1 . . . . . 7 G H1 . 27769 2 13 . 1 1 9 9 C H41 H 1 8.08 0.05 . 2 . . . . . 9 C H41 . 27769 2 14 . 1 1 9 9 C H42 H 1 6.69 0.05 . 2 . . . . . 9 C H42 . 27769 2 15 . 1 1 10 10 G H1 H 1 12.35 0.02 . 1 . . . . . 10 G H1 . 27769 2 16 . 2 2 1 1 C H41 H 1 8.38 0.05 . 2 . . . . . 33 C H41 . 27769 2 17 . 2 2 1 1 C H42 H 1 6.87 0.05 . 2 . . . . . 33 C H42 . 27769 2 18 . 2 2 2 2 G H1 H 1 12.90 0.02 . 1 . . . . . 34 G H1 . 27769 2 19 . 2 2 2 2 G H21 H 1 5.96 0.05 . 2 . . . . . 34 G H21 . 27769 2 20 . 2 2 2 2 G H22 H 1 8.18 0.05 . 2 . . . . . 34 G H22 . 27769 2 21 . 2 2 3 3 U H3 H 1 13.38 0.1 . 1 . . . . . 35 U H3 . 27769 2 22 . 2 2 5 5 G H1 H 1 13.38 0.02 . 1 . . . . . 37 G H1 . 27769 2 23 . 2 2 5 5 G H21 H 1 6.20 0.05 . 2 . . . . . 37 G H21 . 27769 2 24 . 2 2 5 5 G H22 H 1 8.40 0.05 . 2 . . . . . 37 G H22 . 27769 2 25 . 2 2 6 6 U H3 H 1 13.53 0.02 . 1 . . . . . 38 U H3 . 27769 2 26 . 2 2 7 7 A H61 H 1 7.82 0.05 . 2 . . . . . 39 A H61 . 27769 2 27 . 2 2 7 7 A H62 H 1 6.35 0.05 . 2 . . . . . 39 A H62 . 27769 2 28 . 2 2 8 8 G H1 H 1 13.44 0.02 . 1 . . . . . 40 G H1 . 27769 2 29 . 2 2 8 8 G H21 H 1 6.15 0.05 . 2 . . . . . 40 G H21 . 27769 2 30 . 2 2 8 8 G H22 H 1 8.52 0.05 . 2 . . . . . 40 G H22 . 27769 2 31 . 2 2 9 9 C H41 H 1 8.12 0.05 . 2 . . . . . 41 C H41 . 27769 2 32 . 2 2 9 9 C H42 H 1 6.93 0.05 . 2 . . . . . 41 C H42 . 27769 2 stop_ save_