data_25415 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25415 _Entry.Title ; Structural features of a 3' splice site influenza A: 19-nt duplex ; _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. . . 25415 2 Scott Kennedy . D. . . 25415 3 Jonathan Chen . L. . . 25415 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' . 25415 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'influenza A' . 25415 'internal loop' . 25415 'segment 7' . 25415 'splice site' . 25415 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25415 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 140 25415 '31P chemical shifts' 14 25415 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' 25415 1 . . 2015-05-04 2015-01-06 original author 'original release' 25415 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' 25415 BMRB 25416 "3' splice site in influenza A: 39-nt hairpin" 25415 PDB 2MXK 'BMRB Entry Tracking System' 25415 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25415 _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. . . 25415 1 2 Scott Kennedy . D. . . 25415 1 3 Douglas Turner . H. . . 25415 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25415 _Assembly.ID 1 _Assembly.Name "3' splice site influenza A: 19-nt duplex" _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 . . . 25415 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25415 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(19-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 ; GCAGGCCCAUGGGAGUGCA ; _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 19 _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 6171.794 _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 7 G . 25415 1 2 8 C . 25415 1 3 9 A . 25415 1 4 10 G . 25415 1 5 11 G . 25415 1 6 12 C . 25415 1 7 13 C . 25415 1 8 14 C . 25415 1 9 15 A . 25415 1 10 16 U . 25415 1 11 17 G . 25415 1 12 18 G . 25415 1 13 19 G . 25415 1 14 20 A . 25415 1 15 21 G . 25415 1 16 22 U . 25415 1 17 23 G . 25415 1 18 24 C . 25415 1 19 25 A . 25415 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 25415 1 . C 2 2 25415 1 . A 3 3 25415 1 . G 4 4 25415 1 . G 5 5 25415 1 . C 6 6 25415 1 . C 7 7 25415 1 . C 8 8 25415 1 . A 9 9 25415 1 . U 10 10 25415 1 . G 11 11 25415 1 . G 12 12 25415 1 . G 13 13 25415 1 . A 14 14 25415 1 . G 15 15 25415 1 . U 16 16 25415 1 . G 17 17 25415 1 . C 18 18 25415 1 . A 19 19 25415 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 25415 _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' . . . . . . . . . . . . . . . . . . . . . . 25415 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 25415 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 25415 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25415 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '19-nt duplex' _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 . . 4.0 . . mM . . . . 25415 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25415 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25415 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25415 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '19-nt duplex' _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 entity 'natural abundance' . . 1 $entity . . 1.0 . . mM . . . . 25415 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25415 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 25415 _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' 101.12 . mM 25415 1 pH 6.0 . pH 25415 1 pressure 1 . atm 25415 1 temperature 298.15 . K 25415 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 25415 _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' 101.12 . mM 25415 2 pH 6.0 . pH 25415 2 pressure 1 . atm 25415 2 temperature 273.15 . K 25415 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 25415 _Sample_condition_list.ID 3 _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' 101.12 . mM 25415 3 pH 6.0 . pH 25415 3 pressure 1 . atm 25415 3 temperature 271.15 . K 25415 3 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25415 _Software.ID 1 _Software.Name AMBER _Software.Version . _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' . . 25415 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25415 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25415 _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 . . 25415 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25415 2 'data analysis' 25415 2 'peak picking' 25415 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25415 _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' . . 25415 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25415 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 25415 _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 . . 25415 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25415 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 25415 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25415 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25415 _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 . . . 25415 1 2 spectrometer_2 Varian INOVA . 500 . . . 25415 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 25415 _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 . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25415 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25415 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25415 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25415 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25415 1 6 '2D 1H-31P HETCOR' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25415 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25415 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 25415 _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 . . . . . . . . . 25415 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 25415 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 25415 _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' . . . 25415 1 2 '2D 1H-1H NOESY' . . . 25415 1 3 '2D 1H-1H NOESY' . . . 25415 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 12.666 0.01 6 1 . . . A 7 G H1 . 25415 1 2 . 1 1 1 1 G H1' H 1 5.870 0.005 8 1 . . . A 7 G H1' . 25415 1 3 . 1 1 1 1 G H2' H 1 4.785 0.005 5 1 . . . A 7 G H2' . 25415 1 4 . 1 1 1 1 G H3' H 1 4.555 0.005 4 1 . . . A 7 G H3' . 25415 1 5 . 1 1 1 1 G H4' H 1 4.437 0.005 1 1 . . . A 7 G H4' . 25415 1 6 . 1 1 1 1 G H5' H 1 4.128 0.005 1 4 . . . A 7 G H5' . 25415 1 7 . 1 1 1 1 G H5'' H 1 3.949 0.005 3 4 . . . A 7 G H5'' . 25415 1 8 . 1 1 1 1 G H8 H 1 8.127 0.005 8 1 . . . A 7 G H8 . 25415 1 9 . 1 1 2 2 C H1' H 1 5.504 0.005 7 1 . . . A 8 C H1' . 25415 1 10 . 1 1 2 2 C H2' H 1 4.316 0.005 4 1 . . . A 8 C H2' . 25415 1 11 . 1 1 2 2 C H3' H 1 4.605 0.005 3 1 . . . A 8 C H3' . 25415 1 12 . 1 1 2 2 C H4' H 1 4.461 0.01 1 1 . . . A 8 C H4' . 25415 1 13 . 1 1 2 2 C H5 H 1 5.273 0.01 4 1 . . . A 8 C H5 . 25415 1 14 . 1 1 2 2 C H5'' H 1 4.169 0.005 2 4 . . . A 8 C H5'' . 25415 1 15 . 1 1 2 2 C H6 H 1 7.835 0.005 10 1 . . . A 8 C H6 . 25415 1 16 . 1 1 2 2 C H41 H 1 8.543 0.005 3 1 . . . A 8 C H41 . 25415 1 17 . 1 1 2 2 C H42 H 1 6.823 0.005 3 1 . . . A 8 C H42 . 25415 1 18 . 1 1 2 2 C P P 31 -4.339 0.01 2 1 . . . A 8 C P . 25415 1 19 . 1 1 3 3 A H1' H 1 5.878 0.005 7 1 . . . A 9 A H1' . 25415 1 20 . 1 1 3 3 A H2 H 1 7.198 0.005 2 1 . . . A 9 A H2 . 25415 1 21 . 1 1 3 3 A H2' H 1 4.491 0.005 2 1 . . . A 9 A H2' . 25415 1 22 . 1 1 3 3 A H3' H 1 4.852 0.005 2 1 . . . A 9 A H3' . 25415 1 23 . 1 1 3 3 A H4' H 1 4.391 0.005 1 1 . . . A 9 A H4' . 25415 1 24 . 1 1 3 3 A H5'' H 1 4.185 0.005 2 4 . . . A 9 A H5'' . 25415 1 25 . 1 1 3 3 A H8 H 1 8.045 0.005 7 1 . . . A 9 A H8 . 25415 1 26 . 1 1 3 3 A P P 31 -4.021 0.01 2 1 . . . A 9 A P . 25415 1 27 . 1 1 4 4 G H1' H 1 6.038 0.005 4 1 . . . A 10 G H1' . 25415 1 28 . 1 1 4 4 G H2' H 1 4.500 0.005 1 1 . . . A 10 G H2' . 25415 1 29 . 1 1 4 4 G H3' H 1 4.716 0.005 1 1 . . . A 10 G H3' . 25415 1 30 . 1 1 4 4 G H4' H 1 4.491 0.005 1 1 . . . A 10 G H4' . 25415 1 31 . 1 1 4 4 G H8 H 1 7.679 0.005 2 1 . . . A 10 G H8 . 25415 1 32 . 1 1 5 5 G H1 H 1 13.077 0.01 3 1 . . . A 11 G H1 . 25415 1 33 . 1 1 5 5 G H1' H 1 5.567 0.005 3 1 . . . A 11 G H1' . 25415 1 34 . 1 1 5 5 G H2' H 1 4.583 0.01 3 1 . . . A 11 G H2' . 25415 1 35 . 1 1 5 5 G H3' H 1 4.353 0.005 1 1 . . . A 11 G H3' . 25415 1 36 . 1 1 5 5 G H8 H 1 7.369 0.005 1 1 . . . A 11 G H8 . 25415 1 37 . 1 1 5 5 G H22 H 1 5.906 0.005 1 1 . . . A 11 G H22 . 25415 1 38 . 1 1 5 5 G P P 31 -3.930 0.01 1 1 . . . A 11 G P . 25415 1 39 . 1 1 6 6 C H1' H 1 5.523 0.005 6 1 . . . A 12 C H1' . 25415 1 40 . 1 1 6 6 C H2' H 1 4.239 0.005 5 1 . . . A 12 C H2' . 25415 1 41 . 1 1 6 6 C H3' H 1 4.451 0.005 3 1 . . . A 12 C H3' . 25415 1 42 . 1 1 6 6 C H5 H 1 5.208 0.01 2 1 . . . A 12 C H5 . 25415 1 43 . 1 1 6 6 C H5'' H 1 4.103 0.01 2 4 . . . A 12 C H5'' . 25415 1 44 . 1 1 6 6 C H6 H 1 7.512 0.005 7 1 . . . A 12 C H6 . 25415 1 45 . 1 1 6 6 C H41 H 1 8.474 0.005 3 1 . . . A 12 C H41 . 25415 1 46 . 1 1 6 6 C H42 H 1 7.058 0.005 3 1 . . . A 12 C H42 . 25415 1 47 . 1 1 6 6 C P P 31 -4.489 0.01 1 1 . . . A 12 C P . 25415 1 48 . 1 1 7 7 C H1' H 1 5.367 0.005 7 1 . . . A 13 C H1' . 25415 1 49 . 1 1 7 7 C H2' H 1 4.290 0.005 5 1 . . . A 13 C H2' . 25415 1 50 . 1 1 7 7 C H3' H 1 4.485 0.005 4 1 . . . A 13 C H3' . 25415 1 51 . 1 1 7 7 C H4' H 1 4.363 0.01 1 1 . . . A 13 C H4' . 25415 1 52 . 1 1 7 7 C H5 H 1 5.423 0.01 2 1 . . . A 13 C H5 . 25415 1 53 . 1 1 7 7 C H5'' H 1 4.047 0.005 2 4 . . . A 13 C H5'' . 25415 1 54 . 1 1 7 7 C H6 H 1 7.837 0.005 8 1 . . . A 13 C H6 . 25415 1 55 . 1 1 7 7 C H41 H 1 8.419 0.005 3 1 . . . A 13 C H41 . 25415 1 56 . 1 1 7 7 C H42 H 1 6.961 0.005 3 1 . . . A 13 C H42 . 25415 1 57 . 1 1 7 7 C P P 31 -4.536 0.01 2 1 . . . A 13 C P . 25415 1 58 . 1 1 8 8 C H1' H 1 5.408 0.005 7 1 . . . A 14 C H1' . 25415 1 59 . 1 1 8 8 C H2' H 1 4.315 0.005 4 1 . . . A 14 C H2' . 25415 1 60 . 1 1 8 8 C H3' H 1 4.474 0.005 3 1 . . . A 14 C H3' . 25415 1 61 . 1 1 8 8 C H4' H 1 4.344 0.01 1 1 . . . A 14 C H4' . 25415 1 62 . 1 1 8 8 C H5 H 1 5.425 0.01 3 1 . . . A 14 C H5 . 25415 1 63 . 1 1 8 8 C H5'' H 1 4.050 0.005 2 4 . . . A 14 C H5'' . 25415 1 64 . 1 1 8 8 C H6 H 1 7.640 0.005 8 1 . . . A 14 C H6 . 25415 1 65 . 1 1 8 8 C H41 H 1 8.249 0.005 3 1 . . . A 14 C H41 . 25415 1 66 . 1 1 8 8 C H42 H 1 6.970 0.005 3 1 . . . A 14 C H42 . 25415 1 67 . 1 1 8 8 C P P 31 -4.074 0.01 2 1 . . . A 14 C P . 25415 1 68 . 1 1 9 9 A H1' H 1 5.982 0.005 6 1 . . . A 15 A H1' . 25415 1 69 . 1 1 9 9 A H2 H 1 7.459 0.005 3 1 . . . A 15 A H2 . 25415 1 70 . 1 1 9 9 A H2' H 1 4.080 0.005 2 1 . . . A 15 A H2' . 25415 1 71 . 1 1 9 9 A H3' H 1 4.313 0.005 2 1 . . . A 15 A H3' . 25415 1 72 . 1 1 9 9 A H4' H 1 4.239 0.005 1 1 . . . A 15 A H4' . 25415 1 73 . 1 1 9 9 A H5'' H 1 4.083 0.005 1 4 . . . A 15 A H5'' . 25415 1 74 . 1 1 9 9 A H8 H 1 8.026 0.005 7 1 . . . A 15 A H8 . 25415 1 75 . 1 1 9 9 A P P 31 -3.939 0.01 2 1 . . . A 15 A P . 25415 1 76 . 1 1 10 10 U H1' H 1 5.770 0.005 5 1 . . . B 27 U H1' . 25415 1 77 . 1 1 10 10 U H2' H 1 4.619 0.005 4 1 . . . B 27 U H2' . 25415 1 78 . 1 1 10 10 U H3' H 1 4.631 0.005 3 1 . . . B 27 U H3' . 25415 1 79 . 1 1 10 10 U H4' H 1 4.371 0.005 1 1 . . . B 27 U H4' . 25415 1 80 . 1 1 10 10 U H5 H 1 5.851 0.005 1 1 . . . B 27 U H5 . 25415 1 81 . 1 1 10 10 U H5' H 1 4.000 0.005 1 4 . . . B 27 U H5' . 25415 1 82 . 1 1 10 10 U H5'' H 1 3.903 0.005 1 4 . . . B 27 U H5'' . 25415 1 83 . 1 1 10 10 U H6 H 1 8.010 0.005 7 1 . . . B 27 U H6 . 25415 1 84 . 1 1 11 11 G H1 H 1 12.157 0.01 7 1 . . . B 28 G H1 . 25415 1 85 . 1 1 11 11 G H1' H 1 5.914 0.005 7 1 . . . B 28 G H1' . 25415 1 86 . 1 1 11 11 G H2' H 1 4.791 0.005 4 1 . . . B 28 G H2' . 25415 1 87 . 1 1 11 11 G H3' H 1 4.685 0.005 3 1 . . . B 28 G H3' . 25415 1 88 . 1 1 11 11 G H4' H 1 4.555 0.005 1 1 . . . B 28 G H4' . 25415 1 89 . 1 1 11 11 G H8 H 1 8.017 0.005 9 1 . . . B 28 G H8 . 25415 1 90 . 1 1 11 11 G P P 31 -3.744 0.01 1 1 . . . B 28 G P . 25415 1 91 . 1 1 12 12 G H1 H 1 12.811 0.01 8 1 . . . B 29 G H1 . 25415 1 92 . 1 1 12 12 G H1' H 1 5.745 0.005 7 1 . . . B 29 G H1' . 25415 1 93 . 1 1 12 12 G H2' H 1 4.560 0.005 4 1 . . . B 29 G H2' . 25415 1 94 . 1 1 12 12 G H3' H 1 4.504 0.005 4 1 . . . B 29 G H3' . 25415 1 95 . 1 1 12 12 G H4' H 1 4.507 0.005 1 1 . . . B 29 G H4' . 25415 1 96 . 1 1 12 12 G H5' H 1 4.510 0.005 2 4 . . . B 29 G H5' . 25415 1 97 . 1 1 12 12 G H5'' H 1 4.135 0.005 1 4 . . . B 29 G H5'' . 25415 1 98 . 1 1 12 12 G H8 H 1 7.329 0.005 11 1 . . . B 29 G H8 . 25415 1 99 . 1 1 12 12 G P P 31 -3.694 0.01 2 1 . . . B 29 G P . 25415 1 100 . 1 1 13 13 G H1 H 1 12.575 0.01 5 1 . . . B 30 G H1 . 25415 1 101 . 1 1 13 13 G H1' H 1 5.660 0.005 6 1 . . . B 30 G H1' . 25415 1 102 . 1 1 13 13 G H2' H 1 4.169 0.005 4 1 . . . B 30 G H2' . 25415 1 103 . 1 1 13 13 G H3' H 1 4.647 0.005 3 1 . . . B 30 G H3' . 25415 1 104 . 1 1 13 13 G H4' H 1 4.420 0.005 1 1 . . . B 30 G H4' . 25415 1 105 . 1 1 13 13 G H5' H 1 4.543 0.005 1 4 . . . B 30 G H5' . 25415 1 106 . 1 1 13 13 G H5'' H 1 4.094 0.005 1 4 . . . B 30 G H5'' . 25415 1 107 . 1 1 13 13 G H8 H 1 7.264 0.005 10 1 . . . B 30 G H8 . 25415 1 108 . 1 1 14 14 A H1' H 1 6.104 0.005 5 1 . . . B 31 A H1' . 25415 1 109 . 1 1 14 14 A H2 H 1 7.948 0.005 1 1 . . . B 31 A H2 . 25415 1 110 . 1 1 14 14 A H2' H 1 4.842 0.005 2 1 . . . B 31 A H2' . 25415 1 111 . 1 1 14 14 A H3' H 1 4.678 0.005 2 1 . . . B 31 A H3' . 25415 1 112 . 1 1 14 14 A H4' H 1 4.480 0.005 1 1 . . . B 31 A H4' . 25415 1 113 . 1 1 14 14 A H8 H 1 8.078 0.005 6 1 . . . B 31 A H8 . 25415 1 114 . 1 1 15 15 G H1' H 1 5.370 0.005 2 1 . . . B 32 G H1' . 25415 1 115 . 1 1 15 15 G H2' H 1 4.358 0.005 2 1 . . . B 32 G H2' . 25415 1 116 . 1 1 15 15 G H3' H 1 4.229 0.005 2 1 . . . B 32 G H3' . 25415 1 117 . 1 1 15 15 G H8 H 1 7.100 0.005 2 1 . . . B 32 G H8 . 25415 1 118 . 1 1 15 15 G P P 31 -4.000 0.01 1 1 . . . B 32 G P . 25415 1 119 . 1 1 16 16 U H1' H 1 5.518 0.005 7 1 . . . B 33 U H1' . 25415 1 120 . 1 1 16 16 U H2' H 1 4.600 0.005 4 1 . . . B 33 U H2' . 25415 1 121 . 1 1 16 16 U H3 H 1 13.314 0.01 1 1 . . . B 33 U H3 . 25415 1 122 . 1 1 16 16 U H3' H 1 4.533 0.005 2 1 . . . B 33 U H3' . 25415 1 123 . 1 1 16 16 U H4' H 1 4.422 0.005 1 1 . . . B 33 U H4' . 25415 1 124 . 1 1 16 16 U H5 H 1 5.040 0.005 1 1 . . . B 33 U H5 . 25415 1 125 . 1 1 16 16 U H5'' H 1 4.090 0.005 1 4 . . . B 33 U H5'' . 25415 1 126 . 1 1 16 16 U H6 H 1 7.732 0.005 7 1 . . . B 33 U H6 . 25415 1 127 . 1 1 16 16 U P P 31 -4.850 0.01 1 1 . . . B 33 U P . 25415 1 128 . 1 1 17 17 G H1 H 1 12.906 0.01 5 1 . . . B 34 G H1 . 25415 1 129 . 1 1 17 17 G H1' H 1 5.745 0.005 8 1 . . . B 34 G H1' . 25415 1 130 . 1 1 17 17 G H2' H 1 4.415 0.005 5 1 . . . B 34 G H2' . 25415 1 131 . 1 1 17 17 G H3' H 1 4.558 0.005 4 1 . . . B 34 G H3' . 25415 1 132 . 1 1 17 17 G H4' H 1 4.435 0.005 1 1 . . . B 34 G H4' . 25415 1 133 . 1 1 17 17 G H5'' H 1 4.110 0.005 2 4 . . . B 34 G H5'' . 25415 1 134 . 1 1 17 17 G H8 H 1 7.693 0.005 9 1 . . . B 34 G H8 . 25415 1 135 . 1 1 17 17 G P P 31 -4.047 0.01 1 1 . . . B 34 G P . 25415 1 136 . 1 1 18 18 C H1' H 1 5.357 0.005 7 1 . . . B 35 C H1' . 25415 1 137 . 1 1 18 18 C H2' H 1 4.303 0.005 4 1 . . . B 35 C H2' . 25415 1 138 . 1 1 18 18 C H3' H 1 4.370 0.005 3 1 . . . B 35 C H3' . 25415 1 139 . 1 1 18 18 C H4' H 1 4.330 0.01 1 1 . . . B 35 C H4' . 25415 1 140 . 1 1 18 18 C H5 H 1 5.170 0.01 4 1 . . . B 35 C H5 . 25415 1 141 . 1 1 18 18 C H5'' H 1 4.040 0.005 2 4 . . . B 35 C H5'' . 25415 1 142 . 1 1 18 18 C H6 H 1 7.438 0.005 10 1 . . . B 35 C H6 . 25415 1 143 . 1 1 18 18 C H41 H 1 8.066 0.005 3 1 . . . B 35 C H41 . 25415 1 144 . 1 1 18 18 C H42 H 1 6.911 0.005 3 1 . . . B 35 C H42 . 25415 1 145 . 1 1 18 18 C P P 31 -4.233 0.01 2 1 . . . B 35 C P . 25415 1 146 . 1 1 19 19 A H1' H 1 5.973 0.005 6 1 . . . B 36 A H1' . 25415 1 147 . 1 1 19 19 A H2 H 1 7.408 0.005 3 1 . . . B 36 A H2 . 25415 1 148 . 1 1 19 19 A H2' H 1 4.030 0.005 2 1 . . . B 36 A H2' . 25415 1 149 . 1 1 19 19 A H3' H 1 4.274 0.005 2 1 . . . B 36 A H3' . 25415 1 150 . 1 1 19 19 A H4' H 1 4.213 0.005 1 1 . . . B 36 A H4' . 25415 1 151 . 1 1 19 19 A H5' H 1 4.397 0.005 1 4 . . . B 36 A H5' . 25415 1 152 . 1 1 19 19 A H5'' H 1 4.033 0.005 1 4 . . . B 36 A H5'' . 25415 1 153 . 1 1 19 19 A H8 H 1 8.008 0.005 9 1 . . . B 36 A H8 . 25415 1 154 . 1 1 19 19 A P P 31 -3.845 0.01 2 1 . . . B 36 A P . 25415 1 stop_ save_