data_18656 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18656 _Entry.Title ; Major Conformation of the Internal Loop 5'GAGU/3'UGAG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-12 _Entry.Accession_date 2012-08-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'A novel RNA internal loop in a conformational switch: major conformation of 5'GAGU/3'UGAG' _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 Scott Kennedy . D. . 18656 2 Douglas Turner . H. . 18656 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18656 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'inverted sugars' . 18656 loop . 18656 RNA . 18656 'stacked adenines' . 18656 switch . 18656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 13 18656 '15N chemical shifts' 5 18656 '1H chemical shifts' 164 18656 '31P chemical shifts' 10 18656 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 . . 2013-02-18 2010-11-03 update BMRB 'update entry citation' 18656 1 . . 2011-05-05 2010-11-03 original author 'original release' 18656 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LX1 'BMRB Entry Tracking System' 18656 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18656 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23134175 _Citation.Full_citation . _Citation.Title 'Novel conformation of an RNA structural switch.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 46 _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 9257 _Citation.Page_last 9259 _Citation.Year 2012 _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 Scott Kennedy . D. . 18656 1 2 Ryszard Kierzek . . . 18656 1 3 Douglas Turner . H. . 18656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18656 _Assembly.ID 1 _Assembly.Name 'Internal Loop 5'GAGU/3'UGAG' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (5'-R(*GP*AP*CP*GP*AP*GP*UP*GP*UP*CP*A)-3'), strand 1' 1 $RNA_loop A . yes native no no . . . 18656 1 2 'RNA (5'-R(*GP*AP*CP*GP*AP*GP*UP*GP*UP*CP*A)-3'), strand 2' 1 $RNA_loop B . yes native no no . . . 18656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_loop _Entity.Sf_category entity _Entity.Sf_framecode RNA_loop _Entity.Entry_ID 18656 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_loop _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GACGAGUGUCA _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 . _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 syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3546.203 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 18656 1 2 . A . 18656 1 3 . C . 18656 1 4 . G . 18656 1 5 . A . 18656 1 6 . G . 18656 1 7 . U . 18656 1 8 . G . 18656 1 9 . U . 18656 1 10 . C . 18656 1 11 . A . 18656 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 18656 1 . A 2 2 18656 1 . C 3 3 18656 1 . G 4 4 18656 1 . A 5 5 18656 1 . G 6 6 18656 1 . U 7 7 18656 1 . G 8 8 18656 1 . U 9 9 18656 1 . C 10 10 18656 1 . A 11 11 18656 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18656 _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 $RNA_loop . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18656 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 18656 _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 $RNA_loop . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18656 _Sample.ID 1 _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_loop 'natural abundance' . . 1 $RNA_loop . . 1.5 . . mM . . . . 18656 1 2 'sodium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 18656 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18656 1 4 EDTA 'natural abundance' . . . . . . 0.05 . . mM . . . . 18656 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18656 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18656 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18656 _Sample.ID 2 _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_loop 'natural abundance' . . 1 $RNA_loop . . 1.5 . . mM . . . . 18656 2 2 'sodium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 18656 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18656 2 4 EDTA 'natural abundance' . . . . . . 0.05 . . mM . . . . 18656 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18656 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 18656 _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' 0.1 . M 18656 1 pH 6.1 . pH 18656 1 pressure 1 . atm 18656 1 temperature 274 . K 18656 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18656 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.12 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18656 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18656 1 'data analysis' 18656 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18656 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18656 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18656 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18656 _Software.ID 3 _Software.Name AMBER _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18656 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18656 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 18656 _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 18656 _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 . . . 18656 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 18656 _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 3 '2D 1H-1H TOCSY 30 ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 4 '2D 1H-1H NOESY 75 ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 5 '2D 1H-1H NOESY 150 ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 7 '2D 1H-1H TOCSY 14ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 8 '2D 1H-1H TOCSY 36 ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 9 '2D 1H-1H NOESY 75 ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 10 '2D 1H-1H NOESY 175 ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 11 '2D 1H-1H NOESY 400 ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 1 12 '2D 1H-31P HETCOR' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18656 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 18656 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18656 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18656 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18656 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18656 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 18656 _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 6 '2D 1H-13C HSQC' . . . 18656 1 7 '2D 1H-1H TOCSY 14ms' . . . 18656 1 11 '2D 1H-1H NOESY 400 ms' . . . 18656 1 12 '2D 1H-31P HETCOR' . . . 18656 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 G H1' H 1 5.815 0.001 19 1 . . . A 1 G H1' . 18656 1 2 . 1 1 1 1 G H2' H 1 4.826 0.001 17 1 . . . A 1 G H2' . 18656 1 3 . 1 1 1 1 G H3' H 1 4.598 0.003 11 1 . . . A 1 G H3' . 18656 1 4 . 1 1 1 1 G H4' H 1 4.400 0.002 11 1 . . . A 1 G H4' . 18656 1 5 . 1 1 1 1 G H5' H 1 4.076 0.006 7 2 . . . A 1 G H5' . 18656 1 6 . 1 1 1 1 G H5'' H 1 3.931 0.005 7 2 . . . A 1 G H5'' . 18656 1 7 . 1 1 1 1 G H8 H 1 8.080 0.001 13 1 . . . A 1 G H8 . 18656 1 8 . 1 1 1 1 G C8 C 13 138.693 0.200 1 1 . . . A 1 G C8 . 18656 1 9 . 1 1 2 2 A H1' H 1 5.911 0.001 22 1 . . . A 2 A H1' . 18656 1 10 . 1 1 2 2 A H2 H 1 7.553 0.002 11 1 . . . A 2 A H2 . 18656 1 11 . 1 1 2 2 A H2' H 1 4.597 0.003 12 1 . . . A 2 A H2' . 18656 1 12 . 1 1 2 2 A H3' H 1 4.557 0.002 10 1 . . . A 2 A H3' . 18656 1 13 . 1 1 2 2 A H4' H 1 4.471 0.003 12 1 . . . A 2 A H4' . 18656 1 14 . 1 1 2 2 A H5' H 1 4.582 0.002 3 2 . . . A 2 A H5' . 18656 1 15 . 1 1 2 2 A H5'' H 1 4.115 0.003 5 2 . . . A 2 A H5'' . 18656 1 16 . 1 1 2 2 A H8 H 1 7.938 0.001 16 1 . . . A 2 A H8 . 18656 1 17 . 1 1 2 2 A C2 C 13 153.541 0.200 1 1 . . . A 2 A C2 . 18656 1 18 . 1 1 2 2 A C8 C 13 139.429 0.200 1 1 . . . A 2 A C8 . 18656 1 19 . 1 1 2 2 A P P 31 -4.029 0.020 1 1 . . . A 2 A P . 18656 1 20 . 1 1 3 3 C H1' H 1 5.001 0.010 1 1 . . . A 3 C H1' . 18656 1 21 . 1 1 3 3 C H2' H 1 3.981 0.001 7 1 . . . A 3 C H2' . 18656 1 22 . 1 1 3 3 C H3' H 1 4.262 0.003 7 1 . . . A 3 C H3' . 18656 1 23 . 1 1 3 3 C H4' H 1 4.165 0.004 8 1 . . . A 3 C H4' . 18656 1 24 . 1 1 3 3 C H5 H 1 4.955 0.002 8 1 . . . A 3 C H5 . 18656 1 25 . 1 1 3 3 C H5' H 1 4.424 0.010 4 2 . . . A 3 C H5' . 18656 1 26 . 1 1 3 3 C H5'' H 1 3.873 0.003 5 2 . . . A 3 C H5'' . 18656 1 27 . 1 1 3 3 C H6 H 1 7.112 0.003 25 1 . . . A 3 C H6 . 18656 1 28 . 1 1 3 3 C C6 C 13 139.764 0.200 1 1 . . . A 3 C C6 . 18656 1 29 . 1 1 3 3 C P P 31 -4.029 0.020 1 1 . . . A 3 C P . 18656 1 30 . 1 1 4 4 G H1' H 1 5.626 0.003 18 1 . . . A 4 G H1' . 18656 1 31 . 1 1 4 4 G H2' H 1 4.922 0.002 25 1 . . . A 4 G H2' . 18656 1 32 . 1 1 4 4 G H3' H 1 4.263 0.003 15 1 . . . A 4 G H3' . 18656 1 33 . 1 1 4 4 G H4' H 1 4.277 0.001 12 1 . . . A 4 G H4' . 18656 1 34 . 1 1 4 4 G H5' H 1 4.367 0.003 2 2 . . . A 4 G H5' . 18656 1 35 . 1 1 4 4 G H5'' H 1 3.865 0.001 7 2 . . . A 4 G H5'' . 18656 1 36 . 1 1 4 4 G H8 H 1 7.548 0.002 24 1 . . . A 4 G H8 . 18656 1 37 . 1 1 4 4 G C8 C 13 143.205 0.200 1 1 . . . A 4 G C8 . 18656 1 38 . 1 1 4 4 G P P 31 -4.558 0.020 1 1 . . . A 4 G P . 18656 1 39 . 1 1 5 5 A H1' H 1 5.736 0.002 23 1 . . . A 5 A H1' . 18656 1 40 . 1 1 5 5 A H2 H 1 7.653 0.002 12 1 . . . A 5 A H2 . 18656 1 41 . 1 1 5 5 A H2' H 1 4.040 0.002 23 1 . . . A 5 A H2' . 18656 1 42 . 1 1 5 5 A H3' H 1 4.549 0.003 15 1 . . . A 5 A H3' . 18656 1 43 . 1 1 5 5 A H4' H 1 3.865 0.001 17 1 . . . A 5 A H4' . 18656 1 44 . 1 1 5 5 A H5' H 1 2.854 0.002 8 2 . . . A 5 A H5' . 18656 1 45 . 1 1 5 5 A H5'' H 1 3.652 0.003 8 2 . . . A 5 A H5'' . 18656 1 46 . 1 1 5 5 A H8 H 1 7.583 0.001 27 1 . . . A 5 A H8 . 18656 1 47 . 1 1 5 5 A C2 C 13 153.596 0.200 1 1 . . . A 5 A C2 . 18656 1 48 . 1 1 5 5 A C8 C 13 140.118 0.200 1 1 . . . A 5 A C8 . 18656 1 49 . 1 1 5 5 A P P 31 -2.583 0.020 1 1 . . . A 5 A P . 18656 1 50 . 1 1 6 6 G H1' H 1 5.926 0.002 27 1 . . . A 6 G H1' . 18656 1 51 . 1 1 6 6 G H2' H 1 6.140 0.002 31 1 . . . A 6 G H2' . 18656 1 52 . 1 1 6 6 G H3' H 1 4.832 0.002 17 1 . . . A 6 G H3' . 18656 1 53 . 1 1 6 6 G H4' H 1 4.536 0.002 14 1 . . . A 6 G H4' . 18656 1 54 . 1 1 6 6 G H5' H 1 4.138 0.004 10 2 . . . A 6 G H5' . 18656 1 55 . 1 1 6 6 G H5'' H 1 4.072 0.003 11 2 . . . A 6 G H5'' . 18656 1 56 . 1 1 6 6 G P P 31 -4.249 0.020 1 1 . . . A 6 G P . 18656 1 57 . 1 1 7 7 U H1' H 1 6.229 0.002 23 1 . . . A 7 U H1' . 18656 1 58 . 1 1 7 7 U H2' H 1 4.568 0.003 20 1 . . . A 7 U H2' . 18656 1 59 . 1 1 7 7 U H3' H 1 5.128 0.002 27 1 . . . A 7 U H3' . 18656 1 60 . 1 1 7 7 U H4' H 1 4.582 0.002 12 1 . . . A 7 U H4' . 18656 1 61 . 1 1 7 7 U H5 H 1 5.989 0.002 9 1 . . . A 7 U H5 . 18656 1 62 . 1 1 7 7 U H5' H 1 4.423 0.002 6 2 . . . A 7 U H5' . 18656 1 63 . 1 1 7 7 U H5'' H 1 4.243 0.002 9 2 . . . A 7 U H5'' . 18656 1 64 . 1 1 7 7 U H6 H 1 8.120 0.002 16 1 . . . A 7 U H6 . 18656 1 65 . 1 1 7 7 U C6 C 13 144.283 0.200 1 1 . . . A 7 U C6 . 18656 1 66 . 1 1 7 7 U P P 31 -3.207 0.020 1 1 . . . A 7 U P . 18656 1 67 . 1 1 8 8 G H1' H 1 5.196 0.001 18 1 . . . A 8 G H1' . 18656 1 68 . 1 1 8 8 G H2' H 1 4.363 0.001 9 1 . . . A 8 G H2' . 18656 1 69 . 1 1 8 8 G H3' H 1 4.566 0.001 8 1 . . . A 8 G H3' . 18656 1 70 . 1 1 8 8 G H4' H 1 4.402 0.004 7 1 . . . A 8 G H4' . 18656 1 71 . 1 1 8 8 G H5' H 1 4.523 0.001 6 2 . . . A 8 G H5' . 18656 1 72 . 1 1 8 8 G H5'' H 1 4.204 0.002 6 2 . . . A 8 G H5'' . 18656 1 73 . 1 1 8 8 G H8 H 1 7.785 0.002 20 1 . . . A 8 G H8 . 18656 1 74 . 1 1 8 8 G C8 C 13 138.058 0.200 1 1 . . . A 8 G C8 . 18656 1 75 . 1 1 8 8 G P P 31 -3.787 0.020 1 1 . . . A 8 G P . 18656 1 76 . 1 1 9 9 U H1' H 1 5.438 0.001 13 1 . . . A 9 U H1' . 18656 1 77 . 1 1 9 9 U H2' H 1 4.406 0.003 9 1 . . . A 9 U H2' . 18656 1 78 . 1 1 9 9 U H3' H 1 4.477 0.003 10 1 . . . A 9 U H3' . 18656 1 79 . 1 1 9 9 U H4' H 1 4.373 0.008 6 1 . . . A 9 U H4' . 18656 1 80 . 1 1 9 9 U H5 H 1 5.138 0.003 13 1 . . . A 9 U H5 . 18656 1 81 . 1 1 9 9 U H5' H 1 4.563 0.010 3 2 . . . A 9 U H5' . 18656 1 82 . 1 1 9 9 U H5'' H 1 4.033 0.004 4 2 . . . A 9 U H5'' . 18656 1 83 . 1 1 9 9 U H6 H 1 7.853 0.004 20 1 . . . A 9 U H6 . 18656 1 84 . 1 1 9 9 U C6 C 13 141.946 0.200 1 1 . . . A 9 U C6 . 18656 1 85 . 1 1 9 9 U P P 31 -5.001 0.020 1 1 . . . A 9 U P . 18656 1 86 . 1 1 10 10 C H1' H 1 5.458 0.001 19 1 . . . A 10 C H1' . 18656 1 87 . 1 1 10 10 C H2' H 1 4.358 0.002 9 1 . . . A 10 C H2' . 18656 1 88 . 1 1 10 10 C H3' H 1 4.420 0.004 8 1 . . . A 10 C H3' . 18656 1 89 . 1 1 10 10 C H4' H 1 4.348 0.005 5 1 . . . A 10 C H4' . 18656 1 90 . 1 1 10 10 C H5 H 1 5.539 0.002 20 1 . . . A 10 C H5 . 18656 1 91 . 1 1 10 10 C H5' H 1 4.460 0.002 7 2 . . . A 10 C H5' . 18656 1 92 . 1 1 10 10 C H5'' H 1 4.031 0.002 6 2 . . . A 10 C H5'' . 18656 1 93 . 1 1 10 10 C H6 H 1 7.678 0.002 20 1 . . . A 10 C H6 . 18656 1 94 . 1 1 10 10 C C6 C 13 140.660 0.200 1 1 . . . A 10 C C6 . 18656 1 95 . 1 1 10 10 C P P 31 -3.899 0.020 1 1 . . . A 10 C P . 18656 1 96 . 1 1 11 11 A H1' H 1 5.882 0.002 19 1 . . . A 11 A H1' . 18656 1 97 . 1 1 11 11 A H2 H 1 7.241 0.001 12 1 . . . A 11 A H2 . 18656 1 98 . 1 1 11 11 A H2' H 1 3.969 0.002 16 1 . . . A 11 A H2' . 18656 1 99 . 1 1 11 11 A H3' H 1 4.252 0.002 11 1 . . . A 11 A H3' . 18656 1 100 . 1 1 11 11 A H4' H 1 4.165 0.002 13 1 . . . A 11 A H4' . 18656 1 101 . 1 1 11 11 A H5' H 1 4.425 0.003 3 2 . . . A 11 A H5' . 18656 1 102 . 1 1 11 11 A H5'' H 1 3.994 0.001 4 2 . . . A 11 A H5'' . 18656 1 103 . 1 1 11 11 A H8 H 1 7.972 0.001 14 1 . . . A 11 A H8 . 18656 1 104 . 1 1 11 11 A C2 C 13 154.086 0.200 1 1 . . . A 11 A C2 . 18656 1 105 . 1 1 11 11 A C8 C 13 139.960 0.200 1 1 . . . A 11 A C8 . 18656 1 106 . 1 1 11 11 A P P 31 -3.790 0.020 1 1 . . . A 11 A P . 18656 1 107 . 2 1 1 1 G H1 H 1 11.925 0.002 53 1 . . . A 1 G H1 . 18656 1 108 . 2 1 1 1 G H21 H 1 6.141 0.050 3 1 . . . A 1 G H21 . 18656 1 109 . 2 1 1 1 G H22 H 1 7.771 0.005 6 1 . . . A 1 G H22 . 18656 1 110 . 2 1 1 1 G HO2' H 1 7.048 0.008 3 1 . . . A 1 G HO2' . 18656 1 111 . 2 1 2 2 A H61 H 1 8.016 0.003 6 1 . . . A 2 A H61 . 18656 1 112 . 2 1 2 2 A H62 H 1 6.564 0.001 6 1 . . . A 2 A H62 . 18656 1 113 . 2 1 2 2 A HO2' H 1 6.903 0.001 3 1 . . . A 2 A HO2' . 18656 1 114 . 2 1 3 3 C H41 H 1 8.070 0.004 18 1 . . . A 3 C H41 . 18656 1 115 . 2 1 3 3 C H42 H 1 6.803 0.003 21 1 . . . A 3 C H42 . 18656 1 116 . 2 1 3 3 C HO2' H 1 6.521 0.001 3 1 . . . A 3 C HO2' . 18656 1 117 . 2 1 4 4 G H1 H 1 10.277 0.002 36 1 . . . A 4 G H1 . 18656 1 118 . 2 1 6 6 G H1 H 1 13.320 0.002 49 1 . . . A 6 G H1 . 18656 1 119 . 2 1 8 8 G H1 H 1 12.976 0.002 48 1 . . . A 8 G H1 . 18656 1 120 . 2 1 8 8 G H21 H 1 5.966 0.050 1 1 . . . A 8 G H21 . 18656 1 121 . 2 1 8 8 G H22 H 1 8.020 0.019 3 1 . . . A 8 G H22 . 18656 1 122 . 2 1 8 8 G HO2' H 1 6.905 0.003 4 1 . . . A 8 G HO2' . 18656 1 123 . 2 1 9 9 U H3 H 1 14.492 0.002 61 1 . . . A 9 U H3 . 18656 1 124 . 2 1 9 9 U HO2' H 1 6.960 0.001 3 1 . . . A 9 U HO2' . 18656 1 125 . 2 1 10 10 C H41 H 1 8.139 0.002 15 1 . . . A 10 C H41 . 18656 1 126 . 2 1 10 10 C H42 H 1 7.015 0.002 19 1 . . . A 10 C H42 . 18656 1 127 . 2 1 10 10 C HO2' H 1 6.750 0.003 7 1 . . . A 10 C HO2' . 18656 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 18656 _Assigned_chem_shift_list.ID 2 _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 2 '2D 1H-15N HSQC' . . . 18656 2 3 '2D 1H-1H TOCSY 30 ms' . . . 18656 2 5 '2D 1H-1H NOESY 150 ms' . . . 18656 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 . 1 1 1 1 G H1' H 1 5.840 0.001 13 1 . . . A 1 G H1' . 18656 2 2 . 1 1 1 1 G H2' H 1 4.871 0.010 4 1 . . . A 1 G H2' . 18656 2 3 . 1 1 1 1 G H8 H 1 8.107 0.001 10 1 . . . A 1 G H8 . 18656 2 4 . 1 1 2 2 A H1' H 1 5.944 0.002 10 1 . . . A 2 A H1' . 18656 2 5 . 1 1 2 2 A H2 H 1 7.576 0.001 17 1 . . . A 2 A H2 . 18656 2 6 . 1 1 2 2 A H2' H 1 4.602 0.001 3 1 . . . A 2 A H2' . 18656 2 7 . 1 1 2 2 A H8 H 1 7.954 0.001 17 1 . . . A 2 A H8 . 18656 2 8 . 1 1 3 3 C H1' H 1 5.057 0.001 13 1 . . . A 3 C H1' . 18656 2 9 . 1 1 3 3 C H2' H 1 3.999 0.001 3 1 . . . A 3 C H2' . 18656 2 10 . 1 1 3 3 C H5 H 1 4.977 0.002 7 1 . . . A 3 C H5 . 18656 2 11 . 1 1 3 3 C H6 H 1 7.164 0.002 22 1 . . . A 3 C H6 . 18656 2 12 . 1 1 4 4 G H1' H 1 5.661 0.002 12 1 . . . A 4 G H1' . 18656 2 13 . 1 1 4 4 G H2' H 1 4.997 0.010 3 1 . . . A 4 G H2' . 18656 2 14 . 1 1 4 4 G H8 H 1 7.622 0.001 21 1 . . . A 4 G H8 . 18656 2 15 . 1 1 5 5 A H1' H 1 5.726 0.001 20 1 . . . A 5 A H1' . 18656 2 16 . 1 1 5 5 A H2 H 1 7.678 0.002 19 1 . . . A 5 A H2 . 18656 2 17 . 1 1 5 5 A H2' H 1 4.037 0.001 5 1 . . . A 5 A H2' . 18656 2 18 . 1 1 5 5 A H3' H 1 4.557 0.001 2 1 . . . A 5 A H3' . 18656 2 19 . 1 1 5 5 A H4' H 1 3.920 0.001 4 1 . . . A 5 A H4' . 18656 2 20 . 1 1 5 5 A H5' H 1 2.803 0.001 5 2 . . . A 5 A H5' . 18656 2 21 . 1 1 5 5 A H5'' H 1 3.629 0.001 5 2 . . . A 5 A H5'' . 18656 2 22 . 1 1 5 5 A H8 H 1 7.597 0.001 18 1 . . . A 5 A H8 . 18656 2 23 . 1 1 6 6 G H1' H 1 5.887 0.002 18 1 . . . A 6 G H1' . 18656 2 24 . 1 1 6 6 G H2' H 1 5.676 0.002 13 1 . . . A 6 G H2' . 18656 2 25 . 1 1 6 6 G H3' H 1 4.895 0.010 4 1 . . . A 6 G H3' . 18656 2 26 . 1 1 6 6 G H4' H 1 4.513 0.010 2 1 . . . A 6 G H4' . 18656 2 27 . 1 1 6 6 G H8 H 1 7.817 0.001 25 1 . . . A 6 G H8 . 18656 2 28 . 1 1 7 7 U H1' H 1 6.208 0.002 19 1 . . . A 7 U H1' . 18656 2 29 . 1 1 7 7 U H2' H 1 4.592 0.001 3 1 . . . A 7 U H2' . 18656 2 30 . 1 1 7 7 U H4' H 1 4.618 0.001 2 1 . . . A 7 U H4' . 18656 2 31 . 1 1 7 7 U H5 H 1 6.008 0.002 8 1 . . . A 7 U H5 . 18656 2 32 . 1 1 7 7 U H6 H 1 8.085 0.002 16 1 . . . A 7 U H6 . 18656 2 33 . 1 1 8 8 G H1' H 1 5.062 0.010 9 1 . . . A 8 G H1' . 18656 2 34 . 1 1 8 8 G H2' H 1 4.424 0.010 2 1 . . . A 8 G H2' . 18656 2 35 . 1 1 8 8 G H8 H 1 7.802 0.001 18 1 . . . A 8 G H8 . 18656 2 36 . 1 1 9 9 U H1' H 1 5.462 0.001 8 1 . . . A 9 U H1' . 18656 2 37 . 1 1 9 9 U H2' H 1 4.423 0.001 2 1 . . . A 9 U H2' . 18656 2 38 . 1 1 9 9 U H5 H 1 5.122 0.002 7 1 . . . A 9 U H5 . 18656 2 39 . 1 1 9 9 U H6 H 1 7.860 0.002 14 1 . . . A 9 U H6 . 18656 2 40 . 1 1 10 10 C H1' H 1 5.486 0.001 12 1 . . . A 10 C H1' . 18656 2 41 . 1 1 10 10 C H2' H 1 4.389 0.010 2 1 . . . A 10 C H2' . 18656 2 42 . 1 1 10 10 C H5 H 1 5.560 0.010 7 1 . . . A 10 C H5 . 18656 2 43 . 1 1 10 10 C H6 H 1 7.698 0.001 17 1 . . . A 10 C H6 . 18656 2 44 . 1 1 11 11 A H1' H 1 5.916 0.003 9 1 . . . A 11 A H1' . 18656 2 45 . 1 1 11 11 A H2 H 1 7.285 0.002 16 1 . . . A 11 A H2 . 18656 2 46 . 1 1 11 11 A H2' H 1 4.014 0.001 2 1 . . . A 11 A H2' . 18656 2 47 . 1 1 11 11 A H8 H 1 8.006 0.002 13 1 . . . A 11 A H8 . 18656 2 48 . 2 1 1 1 G H1 H 1 11.940 0.001 18 1 . . . A 1 G H1 . 18656 2 49 . 2 1 1 1 G H21 H 1 6.180 0.010 2 1 . . . A 1 G H21 . 18656 2 50 . 2 1 1 1 G H22 H 1 7.788 0.012 2 1 . . . A 1 G H22 . 18656 2 51 . 2 1 1 1 G N1 N 15 147.212 0.300 1 1 . . . A 1 G N1 . 18656 2 52 . 2 1 3 3 C H41 H 1 6.820 0.002 9 1 . . . A 3 C H41 . 18656 2 53 . 2 1 3 3 C H42 H 1 8.178 0.004 8 1 . . . A 3 C H42 . 18656 2 54 . 2 1 4 4 G H1 H 1 10.174 0.001 12 1 . . . A 4 G H1 . 18656 2 55 . 2 1 4 4 G N1 N 15 145.284 0.300 1 1 . . . A 4 G N1 . 18656 2 56 . 2 1 6 6 G H1 H 1 13.381 0.001 17 1 . . . A 6 G H1 . 18656 2 57 . 2 1 6 6 G N1 N 15 151.420 0.300 1 1 . . . A 6 G N1 . 18656 2 58 . 2 1 8 8 G H1 H 1 12.992 0.001 18 1 . . . A 8 G H1 . 18656 2 59 . 2 1 8 8 G H21 H 1 6.464 0.003 3 1 . . . A 8 G H21 . 18656 2 60 . 2 1 8 8 G H22 H 1 8.748 0.006 2 1 . . . A 8 G H22 . 18656 2 61 . 2 1 8 8 G N1 N 15 148.549 0.300 1 1 . . . A 8 G N1 . 18656 2 62 . 2 1 9 9 U H3 H 1 14.548 0.002 27 1 . . . A 9 U H3 . 18656 2 63 . 2 1 9 9 U N3 N 15 163.849 0.300 1 1 . . . A 9 U N3 . 18656 2 64 . 2 1 10 10 C H41 H 1 7.017 0.003 7 1 . . . A 10 C H41 . 18656 2 65 . 2 1 10 10 C H42 H 1 8.153 0.002 7 1 . . . A 10 C H42 . 18656 2 stop_ save_