data_25416 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25416 _Entry.Title ; Structural features of a 3' splice site in influenza A: 39-nt hairpin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-06 _Entry.Accession_date 2015-01-06 _Entry.Last_release_date 2015-05-04 _Entry.Original_release_date 2015-05-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Douglas Turner . H. . . 25416 2 Scott Kennedy . D. . . 25416 3 Jonathan Chen . L. . . 25416 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' . 25416 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'influenza A' . 25416 'segment 7' . 25416 'splice site' . 25416 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25416 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 166 25416 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 . . 2016-02-18 2015-01-06 update BMRB 'update entry citation' 25416 1 . . 2015-05-04 2015-01-06 original author 'original release' 25416 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25414 '3 splice site influenza A: 11-nt hairpin' 25416 BMRB 25415 '3 splice site influenza A: 19-nt duplex' 25416 PDB 2MXL 'BMRB Entry Tracking System' 25416 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25416 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25909229 _Citation.Full_citation . _Citation.Title ; Structural features of a 3' splice site in influenza A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 21 _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 3269 _Citation.Page_last 3285 _Citation.Year 2015 _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 Jonathan Chen . L. . . 25416 1 2 Scott Kennedy . D. . . 25416 1 3 Douglas Turner . H. . . 25416 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25416 _Assembly.ID 1 _Assembly.Name "RNA (39-MER), 3' splice site in influenza A: 39-nt hairpin" _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25416 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25416 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(39-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGAUUUGCAGGCCUACCAGA AACGGAUGGGAGUGCAGAU ; _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 39 _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 12688.705 _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 . 25416 1 2 . G . 25416 1 3 . A . 25416 1 4 . U . 25416 1 5 . U . 25416 1 6 . U . 25416 1 7 . G . 25416 1 8 . C . 25416 1 9 . A . 25416 1 10 . G . 25416 1 11 . G . 25416 1 12 . C . 25416 1 13 . C . 25416 1 14 . U . 25416 1 15 . A . 25416 1 16 . C . 25416 1 17 . C . 25416 1 18 . A . 25416 1 19 . G . 25416 1 20 . A . 25416 1 21 . A . 25416 1 22 . A . 25416 1 23 . C . 25416 1 24 . G . 25416 1 25 . G . 25416 1 26 . A . 25416 1 27 . U . 25416 1 28 . G . 25416 1 29 . G . 25416 1 30 . G . 25416 1 31 . A . 25416 1 32 . G . 25416 1 33 . U . 25416 1 34 . G . 25416 1 35 . C . 25416 1 36 . A . 25416 1 37 . G . 25416 1 38 . A . 25416 1 39 . U . 25416 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 25416 1 . G 2 2 25416 1 . A 3 3 25416 1 . U 4 4 25416 1 . U 5 5 25416 1 . U 6 6 25416 1 . G 7 7 25416 1 . C 8 8 25416 1 . A 9 9 25416 1 . G 10 10 25416 1 . G 11 11 25416 1 . C 12 12 25416 1 . C 13 13 25416 1 . U 14 14 25416 1 . A 15 15 25416 1 . C 16 16 25416 1 . C 17 17 25416 1 . A 18 18 25416 1 . G 19 19 25416 1 . A 20 20 25416 1 . A 21 21 25416 1 . A 22 22 25416 1 . C 23 23 25416 1 . G 24 24 25416 1 . G 25 25 25416 1 . A 26 26 25416 1 . U 27 27 25416 1 . G 28 28 25416 1 . G 29 29 25416 1 . G 30 30 25416 1 . A 31 31 25416 1 . G 32 32 25416 1 . U 33 33 25416 1 . G 34 34 25416 1 . C 35 35 25416 1 . A 36 36 25416 1 . G 37 37 25416 1 . A 38 38 25416 1 . U 39 39 25416 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 25416 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25416 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 25416 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . pUC18 . . . 25416 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25416 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '39-nt hairpin' _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 entity 'natural abundance' . . 1 $entity . . 1.1 . . mM . . . . 25416 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25416 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25416 1 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 25416 _Sample_condition_list.ID 1 _Sample_condition_list.Details '80 mM KCl, 20 mM KH2PO4/K2HPO4 and 0.02 mM Na2EDTA at pH 6.0' 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' 101.12 . mM 25416 1 pH 6.0 . pH 25416 1 pressure 1 . atm 25416 1 temperature 293.15 . K 25416 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 25416 _Sample_condition_list.ID 2 _Sample_condition_list.Details '80 mM KCl, 20 mM KH2PO4/K2HPO4 and 0.02 mM Na2EDTA at pH 6.0' 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' 101.12 . mM 25416 2 pH 6.0 . pH 25416 2 pressure 1 . atm 25416 2 temperature 271.15 . K 25416 2 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25416 _Software.ID 1 _Software.Name AMBER _Software.Version 11 _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' . . 25416 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25416 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25416 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25416 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25416 2 'data analysis' 25416 2 'peak picking' 25416 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25416 _Software.ID 3 _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' . . 25416 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25416 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 25416 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25416 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25416 4 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 25416 _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 25416 _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 . . . 25416 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 25416 _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 . . . . . . . . . . . . . . . . 25416 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25416 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25416 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 25416 _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 0.00 internal direct 1.000000000 . . . . . . . . . 25416 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 25416 _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' . . . 25416 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 2 2 G H1' H 1 5.783 0.005 3 1 . . . A 2 G H1' . 25416 1 2 . 1 1 2 2 G H2' H 1 4.760 0.005 1 1 . . . A 2 G H2' . 25416 1 3 . 1 1 2 2 G H8 H 1 7.890 0.005 1 1 . . . A 2 G H8 . 25416 1 4 . 1 1 3 3 A H1' H 1 5.882 0.005 3 1 . . . A 3 A H1' . 25416 1 5 . 1 1 3 3 A H2 H 1 7.880 0.005 1 1 . . . A 3 A H2 . 25416 1 6 . 1 1 3 3 A H2' H 1 4.713 0.005 3 1 . . . A 3 A H2' . 25416 1 7 . 1 1 3 3 A H8 H 1 8.380 0.005 3 1 . . . A 3 A H8 . 25416 1 8 . 1 1 4 4 U H1' H 1 5.544 0.005 4 1 . . . A 4 U H1' . 25416 1 9 . 1 1 4 4 U H2' H 1 4.564 0.005 2 1 . . . A 4 U H2' . 25416 1 10 . 1 1 4 4 U H3 H 1 14.139 0.01 5 1 . . . A 4 U H3 . 25416 1 11 . 1 1 4 4 U H5 H 1 5.140 0.005 1 1 . . . A 4 U H5 . 25416 1 12 . 1 1 4 4 U H6 H 1 7.600 0.005 4 1 . . . A 4 U H6 . 25416 1 13 . 1 1 5 5 U H1' H 1 5.476 0.005 3 1 . . . A 5 U H1' . 25416 1 14 . 1 1 5 5 U H3 H 1 11.925 0.01 11 1 . . . A 5 U H3 . 25416 1 15 . 1 1 5 5 U H5 H 1 5.510 0.005 1 1 . . . A 5 U H5 . 25416 1 16 . 1 1 5 5 U H6 H 1 7.935 0.005 4 1 . . . A 5 U H6 . 25416 1 17 . 1 1 6 6 U H1' H 1 5.465 0.005 4 1 . . . A 6 U H1' . 25416 1 18 . 1 1 6 6 U H2' H 1 4.558 0.005 2 1 . . . A 6 U H2' . 25416 1 19 . 1 1 6 6 U H3 H 1 13.506 0.01 15 1 . . . A 6 U H3 . 25416 1 20 . 1 1 6 6 U H5 H 1 5.529 0.005 1 1 . . . A 6 U H5 . 25416 1 21 . 1 1 6 6 U H6 H 1 7.941 0.005 5 1 . . . A 6 U H6 . 25416 1 22 . 1 1 7 7 G H1 H 1 12.414 0.01 8 1 . . . A 7 G H1 . 25416 1 23 . 1 1 7 7 G H1' H 1 5.681 0.005 4 1 . . . A 7 G H1' . 25416 1 24 . 1 1 7 7 G H2' H 1 4.415 0.005 2 1 . . . A 7 G H2' . 25416 1 25 . 1 1 7 7 G H8 H 1 7.677 0.005 7 1 . . . A 7 G H8 . 25416 1 26 . 1 1 8 8 C H1' H 1 5.320 0.005 2 1 . . . A 8 C H1' . 25416 1 27 . 1 1 8 8 C H5 H 1 5.169 0.01 4 1 . . . A 8 C H5 . 25416 1 28 . 1 1 8 8 C H6 H 1 7.612 0.01 7 1 . . . A 8 C H6 . 25416 1 29 . 1 1 8 8 C H41 H 1 8.283 0.005 3 1 . . . A 8 C H41 . 25416 1 30 . 1 1 8 8 C H42 H 1 6.868 0.005 3 1 . . . A 8 C H42 . 25416 1 31 . 1 1 9 9 A H1' H 1 5.781 0.005 4 1 . . . A 9 A H1' . 25416 1 32 . 1 1 9 9 A H2 H 1 7.056 0.005 5 1 . . . A 9 A H2 . 25416 1 33 . 1 1 9 9 A H2' H 1 4.467 0.005 2 1 . . . A 9 A H2' . 25416 1 34 . 1 1 9 9 A H8 H 1 7.898 0.005 4 1 . . . A 9 A H8 . 25416 1 35 . 1 1 10 10 G H1' H 1 5.883 0.005 3 1 . . . A 10 G H1' . 25416 1 36 . 1 1 10 10 G H8 H 1 7.595 0.005 3 1 . . . A 10 G H8 . 25416 1 37 . 1 1 11 11 G H1 H 1 13.079 0.01 3 1 . . . A 11 G H1 . 25416 1 38 . 1 1 11 11 G H1' H 1 5.514 0.005 1 1 . . . A 11 G H1' . 25416 1 39 . 1 1 11 11 G H2' H 1 4.580 0.01 2 1 . . . A 11 G H2' . 25416 1 40 . 1 1 11 11 G H22 H 1 5.878 0.005 1 1 . . . A 11 G H22 . 25416 1 41 . 1 1 12 12 C H1' H 1 5.522 0.005 3 1 . . . A 12 C H1' . 25416 1 42 . 1 1 12 12 C H2' H 1 4.259 0.005 2 1 . . . A 12 C H2' . 25416 1 43 . 1 1 12 12 C H5 H 1 5.130 0.01 3 1 . . . A 12 C H5 . 25416 1 44 . 1 1 12 12 C H6 H 1 7.500 0.01 4 1 . . . A 12 C H6 . 25416 1 45 . 1 1 12 12 C H41 H 1 8.416 0.005 3 1 . . . A 12 C H41 . 25416 1 46 . 1 1 12 12 C H42 H 1 6.976 0.005 3 1 . . . A 12 C H42 . 25416 1 47 . 1 1 13 13 C H1' H 1 5.352 0.005 3 1 . . . A 13 C H1' . 25416 1 48 . 1 1 13 13 C H2' H 1 4.507 0.005 2 1 . . . A 13 C H2' . 25416 1 49 . 1 1 13 13 C H5 H 1 5.373 0.01 5 1 . . . A 13 C H5 . 25416 1 50 . 1 1 13 13 C H6 H 1 7.673 0.01 9 1 . . . A 13 C H6 . 25416 1 51 . 1 1 13 13 C H41 H 1 8.222 0.005 3 1 . . . A 13 C H41 . 25416 1 52 . 1 1 13 13 C H42 H 1 6.912 0.005 3 1 . . . A 13 C H42 . 25416 1 53 . 1 1 14 14 U H1' H 1 5.516 0.005 4 1 . . . A 14 U H1' . 25416 1 54 . 1 1 14 14 U H2' H 1 4.252 0.005 3 1 . . . A 14 U H2' . 25416 1 55 . 1 1 14 14 U H3 H 1 11.665 0.01 11 1 . . . A 14 U H3 . 25416 1 56 . 1 1 14 14 U H5 H 1 5.736 0.005 5 1 . . . A 14 U H5 . 25416 1 57 . 1 1 14 14 U H6 H 1 7.802 0.005 9 1 . . . A 14 U H6 . 25416 1 58 . 1 1 15 15 A H1' H 1 5.939 0.005 5 1 . . . A 15 A H1' . 25416 1 59 . 1 1 15 15 A H2 H 1 7.417 0.005 4 1 . . . A 15 A H2 . 25416 1 60 . 1 1 15 15 A H2' H 1 4.519 0.005 3 1 . . . A 15 A H2' . 25416 1 61 . 1 1 15 15 A H3' H 1 4.613 0.005 2 1 . . . A 15 A H3' . 25416 1 62 . 1 1 15 15 A H8 H 1 8.250 0.005 11 1 . . . A 15 A H8 . 25416 1 63 . 1 1 16 16 C H1' H 1 5.139 0.005 4 1 . . . A 16 C H1' . 25416 1 64 . 1 1 16 16 C H5 H 1 5.360 0.01 5 1 . . . A 16 C H5 . 25416 1 65 . 1 1 16 16 C H6 H 1 7.421 0.01 11 1 . . . A 16 C H6 . 25416 1 66 . 1 1 16 16 C H41 H 1 8.096 0.005 1 1 . . . A 16 C H41 . 25416 1 67 . 1 1 16 16 C H42 H 1 6.921 0.005 1 1 . . . A 16 C H42 . 25416 1 68 . 1 1 17 17 C H1' H 1 5.302 0.005 3 1 . . . A 17 C H1' . 25416 1 69 . 1 1 17 17 C H2' H 1 4.178 0.005 2 1 . . . A 17 C H2' . 25416 1 70 . 1 1 17 17 C H5 H 1 5.365 0.01 5 1 . . . A 17 C H5 . 25416 1 71 . 1 1 17 17 C H6 H 1 7.596 0.01 9 1 . . . A 17 C H6 . 25416 1 72 . 1 1 17 17 C H41 H 1 8.224 0.005 1 1 . . . A 17 C H41 . 25416 1 73 . 1 1 17 17 C H42 H 1 6.933 0.005 1 1 . . . A 17 C H42 . 25416 1 74 . 1 1 18 18 A H1' H 1 5.822 0.005 5 1 . . . A 18 A H1' . 25416 1 75 . 1 1 18 18 A H2 H 1 7.425 0.005 4 1 . . . A 18 A H2 . 25416 1 76 . 1 1 18 18 A H2' H 1 4.357 0.005 3 1 . . . A 18 A H2' . 25416 1 77 . 1 1 18 18 A H3' H 1 4.690 0.005 3 1 . . . A 18 A H3' . 25416 1 78 . 1 1 18 18 A H8 H 1 8.000 0.005 11 1 . . . A 18 A H8 . 25416 1 79 . 1 1 19 19 G H1 H 1 10.464 0.01 2 1 . . . A 19 G H1 . 25416 1 80 . 1 1 19 19 G H1' H 1 5.449 0.005 7 1 . . . A 19 G H1' . 25416 1 81 . 1 1 19 19 G H2' H 1 4.363 0.005 4 1 . . . A 19 G H2' . 25416 1 82 . 1 1 19 19 G H3' H 1 4.544 0.005 3 1 . . . A 19 G H3' . 25416 1 83 . 1 1 19 19 G H8 H 1 7.340 0.005 10 1 . . . A 19 G H8 . 25416 1 84 . 1 1 20 20 A H1' H 1 5.668 0.005 4 1 . . . A 20 A H1' . 25416 1 85 . 1 1 20 20 A H2 H 1 7.775 0.005 4 1 . . . A 20 A H2 . 25416 1 86 . 1 1 20 20 A H2' H 1 4.617 0.005 3 1 . . . A 20 A H2' . 25416 1 87 . 1 1 20 20 A H3' H 1 4.482 0.005 2 1 . . . A 20 A H3' . 25416 1 88 . 1 1 20 20 A H8 H 1 8.162 0.005 10 1 . . . A 20 A H8 . 25416 1 89 . 1 1 21 21 A H1' H 1 5.573 0.005 5 1 . . . A 21 A H1' . 25416 1 90 . 1 1 21 21 A H2 H 1 7.725 0.005 4 1 . . . A 21 A H2 . 25416 1 91 . 1 1 21 21 A H2' H 1 4.552 0.005 2 1 . . . A 21 A H2' . 25416 1 92 . 1 1 21 21 A H8 H 1 7.959 0.005 8 1 . . . A 21 A H8 . 25416 1 93 . 1 1 22 22 A H1' H 1 5.814 0.005 4 1 . . . A 22 A H1' . 25416 1 94 . 1 1 22 22 A H2' H 1 4.637 0.005 3 1 . . . A 22 A H2' . 25416 1 95 . 1 1 22 22 A H8 H 1 7.981 0.005 7 1 . . . A 22 A H8 . 25416 1 96 . 1 1 23 23 C H5 H 1 5.600 0.005 4 1 . . . A 23 C H5 . 25416 1 97 . 1 1 23 23 C H6 H 1 7.643 0.005 5 1 . . . A 23 C H6 . 25416 1 98 . 1 1 24 24 G H1 H 1 11.919 0.01 3 1 . . . A 24 G H1 . 25416 1 99 . 1 1 24 24 G H1' H 1 5.528 0.005 4 1 . . . A 24 G H1' . 25416 1 100 . 1 1 24 24 G H2' H 1 4.698 0.005 2 1 . . . A 24 G H2' . 25416 1 101 . 1 1 24 24 G H8 H 1 7.596 0.005 2 1 . . . A 24 G H8 . 25416 1 102 . 1 1 25 25 G H1 H 1 12.411 0.01 1 1 . . . A 25 G H1 . 25416 1 103 . 1 1 25 25 G H1' H 1 5.640 0.005 4 1 . . . A 25 G H1' . 25416 1 104 . 1 1 25 25 G H2' H 1 4.391 0.005 3 1 . . . A 25 G H2' . 25416 1 105 . 1 1 25 25 G H3' H 1 4.564 0.005 3 1 . . . A 25 G H3' . 25416 1 106 . 1 1 25 25 G H8 H 1 7.307 0.005 6 1 . . . A 25 G H8 . 25416 1 107 . 1 1 26 26 A H1' H 1 5.924 0.005 4 1 . . . A 26 A H1' . 25416 1 108 . 1 1 26 26 A H2 H 1 7.960 0.005 10 1 . . . A 26 A H2 . 25416 1 109 . 1 1 26 26 A H2' H 1 4.387 0.005 3 1 . . . A 26 A H2' . 25416 1 110 . 1 1 26 26 A H8 H 1 8.036 0.005 10 1 . . . A 26 A H8 . 25416 1 111 . 1 1 27 27 U H1' H 1 5.598 0.005 4 1 . . . A 27 U H1' . 25416 1 112 . 1 1 27 27 U H2' H 1 4.401 0.005 3 1 . . . A 27 U H2' . 25416 1 113 . 1 1 27 27 U H3 H 1 12.235 0.01 1 1 . . . A 27 U H3 . 25416 1 114 . 1 1 27 27 U H5 H 1 5.262 0.005 3 1 . . . A 27 U H5 . 25416 1 115 . 1 1 27 27 U H6 H 1 7.479 0.005 10 1 . . . A 27 U H6 . 25416 1 116 . 1 1 28 28 G H1 H 1 10.296 0.01 9 1 . . . A 28 G H1 . 25416 1 117 . 1 1 28 28 G H1' H 1 5.769 0.005 4 1 . . . A 28 G H1' . 25416 1 118 . 1 1 28 28 G H2' H 1 4.719 0.005 2 1 . . . A 28 G H2' . 25416 1 119 . 1 1 28 28 G H8 H 1 7.700 0.005 8 1 . . . A 28 G H8 . 25416 1 120 . 1 1 29 29 G H1 H 1 12.698 0.01 11 1 . . . A 29 G H1 . 25416 1 121 . 1 1 29 29 G H1' H 1 5.622 0.005 5 1 . . . A 29 G H1' . 25416 1 122 . 1 1 29 29 G H2' H 1 4.511 0.005 3 1 . . . A 29 G H2' . 25416 1 123 . 1 1 29 29 G H3' H 1 4.424 0.005 3 1 . . . A 29 G H3' . 25416 1 124 . 1 1 29 29 G H8 H 1 7.099 0.005 9 1 . . . A 29 G H8 . 25416 1 125 . 1 1 30 30 G H1 H 1 12.490 0.01 6 1 . . . A 30 G H1 . 25416 1 126 . 1 1 30 30 G H1' H 1 5.651 0.005 5 1 . . . A 30 G H1' . 25416 1 127 . 1 1 30 30 G H2' H 1 4.226 0.005 2 1 . . . A 30 G H2' . 25416 1 128 . 1 1 30 30 G H3' H 1 4.562 0.005 2 1 . . . A 30 G H3' . 25416 1 129 . 1 1 30 30 G H8 H 1 7.155 0.005 9 1 . . . A 30 G H8 . 25416 1 130 . 1 1 31 31 A H1' H 1 6.060 0.005 4 1 . . . A 31 A H1' . 25416 1 131 . 1 1 31 31 A H2' H 1 4.858 0.005 1 1 . . . A 31 A H2' . 25416 1 132 . 1 1 31 31 A H3' H 1 4.640 0.005 1 1 . . . A 31 A H3' . 25416 1 133 . 1 1 31 31 A H4' H 1 4.458 0.005 1 1 . . . A 31 A H4' . 25416 1 134 . 1 1 31 31 A H8 H 1 8.027 0.005 5 1 . . . A 31 A H8 . 25416 1 135 . 1 1 32 32 G H2' H 1 4.367 0.005 1 1 . . . A 32 G H2' . 25416 1 136 . 1 1 33 33 U H1' H 1 5.492 0.005 4 1 . . . A 33 U H1' . 25416 1 137 . 1 1 33 33 U H2' H 1 4.600 0.005 3 1 . . . A 33 U H2' . 25416 1 138 . 1 1 33 33 U H3 H 1 13.389 0.01 1 1 . . . A 33 U H3 . 25416 1 139 . 1 1 33 33 U H5 H 1 4.992 0.005 1 1 . . . A 33 U H5 . 25416 1 140 . 1 1 33 33 U H6 H 1 7.682 0.005 4 1 . . . A 33 U H6 . 25416 1 141 . 1 1 34 34 G H1' H 1 5.707 0.005 4 1 . . . A 34 G H1' . 25416 1 142 . 1 1 34 34 G H2' H 1 4.368 0.005 2 1 . . . A 34 G H2' . 25416 1 143 . 1 1 34 34 G H8 H 1 7.684 0.005 6 1 . . . A 34 G H8 . 25416 1 144 . 1 1 35 35 C H1' H 1 5.324 0.005 3 1 . . . A 35 C H1' . 25416 1 145 . 1 1 35 35 C H2' H 1 4.356 0.005 2 1 . . . A 35 C H2' . 25416 1 146 . 1 1 35 35 C H5 H 1 5.191 0.01 5 1 . . . A 35 C H5 . 25416 1 147 . 1 1 35 35 C H6 H 1 7.610 0.01 9 1 . . . A 35 C H6 . 25416 1 148 . 1 1 35 35 C H41 H 1 8.308 0.005 4 1 . . . A 35 C H41 . 25416 1 149 . 1 1 35 35 C H42 H 1 6.857 0.005 5 1 . . . A 35 C H42 . 25416 1 150 . 1 1 36 36 A H1' H 1 5.909 0.005 4 1 . . . A 36 A H1' . 25416 1 151 . 1 1 36 36 A H2 H 1 6.811 0.005 3 1 . . . A 36 A H2 . 25416 1 152 . 1 1 36 36 A H2' H 1 4.588 0.005 2 1 . . . A 36 A H2' . 25416 1 153 . 1 1 36 36 A H8 H 1 7.916 0.005 8 1 . . . A 36 A H8 . 25416 1 154 . 1 1 37 37 G H1 H 1 10.672 0.01 10 1 . . . A 37 G H1 . 25416 1 155 . 1 1 37 37 G H1' H 1 5.478 0.005 4 1 . . . A 37 G H1' . 25416 1 156 . 1 1 37 37 G H2' H 1 4.612 0.005 2 1 . . . A 37 G H2' . 25416 1 157 . 1 1 37 37 G H8 H 1 6.867 0.005 7 1 . . . A 37 G H8 . 25416 1 158 . 1 1 38 38 A H1' H 1 5.894 0.005 4 1 . . . A 38 A H1' . 25416 1 159 . 1 1 38 38 A H2 H 1 7.878 0.005 2 1 . . . A 38 A H2 . 25416 1 160 . 1 1 38 38 A H2' H 1 4.336 0.005 3 1 . . . A 38 A H2' . 25416 1 161 . 1 1 38 38 A H8 H 1 7.706 0.005 9 1 . . . A 38 A H8 . 25416 1 162 . 1 1 39 39 U H1' H 1 5.707 0.005 3 1 . . . A 39 U H1' . 25416 1 163 . 1 1 39 39 U H2' H 1 4.103 0.005 2 1 . . . A 39 U H2' . 25416 1 164 . 1 1 39 39 U H3 H 1 13.665 0.01 1 1 . . . A 39 U H3 . 25416 1 165 . 1 1 39 39 U H5 H 1 5.084 0.005 2 1 . . . A 39 U H5 . 25416 1 166 . 1 1 39 39 U H6 H 1 7.450 0.005 7 1 . . . A 39 U H6 . 25416 1 stop_ save_