data_26024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26024 _Entry.Title ; RNA Bulge Loop that Specifically Binds Metal Ions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-08 _Entry.Accession_date 2016-04-08 _Entry.Last_release_date 2016-09-22 _Entry.Original_release_date 2016-09-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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 Xiaobo Gu . . . . 26024 2 Susan Schroeder . J. . . 26024 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' . 26024 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 26024 'bulge loop' . 26024 'metal ion' . 26024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 78 26024 '15N chemical shifts' 11 26024 '1H chemical shifts' 184 26024 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-09-22 . original BMRB . 26024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NCI 'BMRB Entry Tracking System' 26024 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26024 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27631837 _Citation.Full_citation . _Citation.Title ; NMR Structures and Dynamics in a Prohead RNA Loop that Binds Metal Ions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. Lett.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3841 _Citation.Page_last 3846 _Citation.Year 2016 _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 Xiaobo Gu . . . . 26024 1 2 Sun-Young Park . . . . 26024 1 3 Marco Tonelli . . . . 26024 1 4 Gabriel Cornilescu . . . . 26024 1 5 Tianbing Xia . . . . 26024 1 6 Dongping Zhong . . . . 26024 1 7 Susan Schroeder . J. . . 26024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26024 _Assembly.ID 1 _Assembly.Name 'RNA (28-MER)' _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 'RNA (28-MER)' 1 $RNA_(28-MER) A . yes na no no . . . 26024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(28-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(28-MER) _Entity.Entry_ID 26024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(28-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 ; GGACGUUAAAAGGCUUCGGC CUACGUCC ; _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 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8970.434 _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 . 26024 1 2 . G . 26024 1 3 . A . 26024 1 4 . C . 26024 1 5 . G . 26024 1 6 . U . 26024 1 7 . U . 26024 1 8 . A . 26024 1 9 . A . 26024 1 10 . A . 26024 1 11 . A . 26024 1 12 . G . 26024 1 13 . G . 26024 1 14 . C . 26024 1 15 . U . 26024 1 16 . U . 26024 1 17 . C . 26024 1 18 . G . 26024 1 19 . G . 26024 1 20 . C . 26024 1 21 . C . 26024 1 22 . U . 26024 1 23 . A . 26024 1 24 . C . 26024 1 25 . G . 26024 1 26 . U . 26024 1 27 . C . 26024 1 28 . C . 26024 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 26024 1 . G 2 2 26024 1 . A 3 3 26024 1 . C 4 4 26024 1 . G 5 5 26024 1 . U 6 6 26024 1 . U 7 7 26024 1 . A 8 8 26024 1 . A 9 9 26024 1 . A 10 10 26024 1 . A 11 11 26024 1 . G 12 12 26024 1 . G 13 13 26024 1 . C 14 14 26024 1 . U 15 15 26024 1 . U 16 16 26024 1 . C 17 17 26024 1 . G 18 18 26024 1 . G 19 19 26024 1 . C 20 20 26024 1 . C 21 21 26024 1 . U 22 22 26024 1 . A 23 23 26024 1 . C 24 24 26024 1 . G 25 25 26024 1 . U 26 26 26024 1 . C 27 27 26024 1 . C 28 28 26024 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 26024 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(28-MER) . 38018 virus . bacteriophage bacteriophage . . Viruses . . 'unidentified phage' . . . . . . . . . . . . . 26024 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 26024 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(28-MER) . 'enzymatic semisynthesis' 'Transcription of RNA using T7 polymerase' . . . . . . . . 'Transcription of RNA using T7 polymerase' . . 'Transcription of RNA using T7 polymerase' . . 'Transcription of RNA using T7 polymerase' 26024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_AU_label _Sample.Sf_category sample _Sample.Sf_framecode AU_label _Sample.Entry_ID 26024 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (28-MER)' '[U-98% 13C; U-98% 15N]-A,U' . . 1 $RNA_(28-MER) . . 1.5 . . mM . . . . 26024 1 2 'cobalt hexamine' 'natural abundance' . . . . . . 1.5 . . mM . . . . 26024 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26024 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26024 1 stop_ save_ save_NO_label _Sample.Sf_category sample _Sample.Sf_framecode NO_label _Sample.Entry_ID 26024 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 (28-MER)' 'natural abundance' . . 1 $RNA_(28-MER) . . 1 . . mM . . . . 26024 2 2 'cobalt hexamine' 'natural abundance' . . . . . . 1 . . mM . . . . 26024 2 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26024 2 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26024 2 stop_ save_ save_AU_label_RDC _Sample.Sf_category sample _Sample.Sf_framecode AU_label_RDC _Sample.Entry_ID 26024 _Sample.ID 3 _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 (28-MER)' '[U-98% 13C; U-98% 15N]-A,U' . . 1 $RNA_(28-MER) . . 1.5 . . mM . . . . 26024 3 2 'cobalt hexamine' 'natural abundance' . . . . . . 1.5 . . mM . . . . 26024 3 3 phage 'natural abundance' . . . . . . 5 . . mg/mL . . . . 26024 3 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26024 3 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26024 3 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 26024 _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' 20 . mM 26024 1 pH 6 . pH 26024 1 pressure 1 . atm 26024 1 temperature 298 . K 26024 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 26024 _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' 20 . mM 26024 2 pH 6 . pH 26024 2 pressure 1 . bar 26024 2 temperature 274 . K 26024 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26024 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26024 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26024 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 26024 _Software.ID 2 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 26024 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26024 2 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 26024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26024 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26024 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 26024 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'NMR System' _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 26024 _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 VNMRS . 500 . . . 26024 1 2 spectrometer_2 Agilent INOVA . 900 . . . 26024 1 3 spectrometer_3 Agilent INOVA . 800 . . . 26024 1 4 spectrometer_4 Agilent 'NMR System' . 600 . . . 26024 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 26024 _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 $AU_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26024 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $AU_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26024 1 3 '2D NOESY13CHSQC' no . . . . . . . . . . 1 $AU_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26024 1 4 '2D HCNTROSY' no . . . . . . . . . . 1 $AU_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26024 1 5 '2D NOESY' no . . . . . . . . . . 1 $AU_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26024 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $AU_label_RDC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26024 1 7 '2D NOESY' no . . . . . . . . . . 2 $NO_label isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 26024 1 8 '2D COSY' no . . . . . . . . . . 2 $NO_label isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 26024 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NO_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26024 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 26024 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26024 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26024 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26024 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 26024 _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-13C HSQC' . . . 26024 1 2 '3D HCCH-TOCSY' . . . 26024 1 3 '2D NOESY13CHSQC' . . . 26024 1 4 '2D HCNTROSY' . . . 26024 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 5.891 . . . . . . A 1 G H1' . 26024 1 2 . 1 1 1 1 G H2' H 1 4.947 . . . . . . A 1 G H2' . 26024 1 3 . 1 1 1 1 G H3' H 1 4.577 . . . . . . A 1 G H3' . 26024 1 4 . 1 1 1 1 G H5' H 1 4.349 . . . . . . A 1 G H5' . 26024 1 5 . 1 1 1 1 G H8 H 1 8.265 . . . . . . A 1 G H8 . 26024 1 6 . 1 1 2 2 G H1' H 1 5.850 . . . . . . A 2 G H1' . 26024 1 7 . 1 1 2 2 G H2' H 1 4.576 . . . . . . A 2 G H2' . 26024 1 8 . 1 1 2 2 G H3' H 1 4.199 . . . . . . A 2 G H3' . 26024 1 9 . 1 1 2 2 G H8 H 1 7.654 . . . . . . A 2 G H8 . 26024 1 10 . 1 1 3 3 A H1' H 1 6.014 . . . . . . A 3 A H1' . 26024 1 11 . 1 1 3 3 A H2 H 1 7.778 . . . . . . A 3 A H2 . 26024 1 12 . 1 1 3 3 A H2' H 1 4.619 . . . . . . A 3 A H2' . 26024 1 13 . 1 1 3 3 A H3' H 1 4.630 . . . . . . A 3 A H3' . 26024 1 14 . 1 1 3 3 A H4' H 1 4.497 . . . . . . A 3 A H4' . 26024 1 15 . 1 1 3 3 A H5' H 1 5.032 . . . . . . A 3 A H5' . 26024 1 16 . 1 1 3 3 A H5'' H 1 4.098 . . . . . . A 3 A H5'' . 26024 1 17 . 1 1 3 3 A H8 H 1 7.785 . . . . . . A 3 A H8 . 26024 1 18 . 1 1 3 3 A C1' C 13 92.708 . . . . . . A 3 A C1' . 26024 1 19 . 1 1 3 3 A C2 C 13 154.162 . . . . . . A 3 A C2 . 26024 1 20 . 1 1 3 3 A C2' C 13 72.493 . . . . . . A 3 A C2' . 26024 1 21 . 1 1 3 3 A C3' C 13 75.694 . . . . . . A 3 A C3' . 26024 1 22 . 1 1 3 3 A C4' C 13 81.960 . . . . . . A 3 A C4' . 26024 1 23 . 1 1 3 3 A C5' C 13 64.625 . . . . . . A 3 A C5' . 26024 1 24 . 1 1 3 3 A C8 C 13 139.492 . . . . . . A 3 A C8 . 26024 1 25 . 1 1 3 3 A N9 N 15 171.384 . . . . . . A 3 A N9 . 26024 1 26 . 1 1 4 4 C H1' H 1 5.411 . . . . . . A 4 C H1' . 26024 1 27 . 1 1 4 4 C H2' H 1 4.473 . . . . . . A 4 C H2' . 26024 1 28 . 1 1 4 4 C H3' H 1 4.428 . . . . . . A 4 C H3' . 26024 1 29 . 1 1 4 4 C H5 H 1 5.278 . . . . . . A 4 C H5 . 26024 1 30 . 1 1 4 4 C H6 H 1 7.572 . . . . . . A 4 C H6 . 26024 1 31 . 1 1 5 5 G H1' H 1 5.724 . . . . . . A 5 G H1' . 26024 1 32 . 1 1 5 5 G H2' H 1 4.433 . . . . . . A 5 G H2' . 26024 1 33 . 1 1 5 5 G H3' H 1 4.536 . . . . . . A 5 G H3' . 26024 1 34 . 1 1 5 5 G H5' H 1 4.099 . . . . . . A 5 G H5' . 26024 1 35 . 1 1 5 5 G H5'' H 1 4.027 . . . . . . A 5 G H5'' . 26024 1 36 . 1 1 5 5 G H8 H 1 7.545 . . . . . . A 5 G H8 . 26024 1 37 . 1 1 6 6 U H1' H 1 5.692 . . . . . . A 6 U H1' . 26024 1 38 . 1 1 6 6 U H2' H 1 4.514 . . . . . . A 6 U H2' . 26024 1 39 . 1 1 6 6 U H3' H 1 4.546 . . . . . . A 6 U H3' . 26024 1 40 . 1 1 6 6 U H4' H 1 4.398 . . . . . . A 6 U H4' . 26024 1 41 . 1 1 6 6 U H5 H 1 5.073 . . . . . . A 6 U H5 . 26024 1 42 . 1 1 6 6 U H5' H 1 4.246 . . . . . . A 6 U H5' . 26024 1 43 . 1 1 6 6 U H5'' H 1 4.051 . . . . . . A 6 U H5'' . 26024 1 44 . 1 1 6 6 U H6 H 1 7.878 . . . . . . A 6 U H6 . 26024 1 45 . 1 1 6 6 U C1' C 13 93.587 . . . . . . A 6 U C1' . 26024 1 46 . 1 1 6 6 U C2' C 13 75.329 . . . . . . A 6 U C2' . 26024 1 47 . 1 1 6 6 U C3' C 13 72.058 . . . . . . A 6 U C3' . 26024 1 48 . 1 1 6 6 U C4' C 13 82.049 . . . . . . A 6 U C4' . 26024 1 49 . 1 1 6 6 U C5 C 13 103.448 . . . . . . A 6 U C5 . 26024 1 50 . 1 1 6 6 U C5' C 13 64.298 . . . . . . A 6 U C5' . 26024 1 51 . 1 1 6 6 U C6 C 13 141.887 . . . . . . A 6 U C6 . 26024 1 52 . 1 1 6 6 U N1 N 15 147.021 . . . . . . A 6 U N1 . 26024 1 53 . 1 1 7 7 U H1' H 1 6.049 . . . . . . A 7 U H1' . 26024 1 54 . 1 1 7 7 U H2' H 1 4.908 . . . . . . A 7 U H2' . 26024 1 55 . 1 1 7 7 U H3' H 1 4.584 . . . . . . A 7 U H3' . 26024 1 56 . 1 1 7 7 U H4' H 1 4.631 . . . . . . A 7 U H4' . 26024 1 57 . 1 1 7 7 U H5 H 1 5.950 . . . . . . A 7 U H5 . 26024 1 58 . 1 1 7 7 U H5' H 1 4.283 . . . . . . A 7 U H5' . 26024 1 59 . 1 1 7 7 U H5'' H 1 4.377 . . . . . . A 7 U H5'' . 26024 1 60 . 1 1 7 7 U H6 H 1 7.949 . . . . . . A 7 U H6 . 26024 1 61 . 1 1 7 7 U C1' C 13 94.720 . . . . . . A 7 U C1' . 26024 1 62 . 1 1 7 7 U C2' C 13 75.676 . . . . . . A 7 U C2' . 26024 1 63 . 1 1 7 7 U C4' C 13 84.343 . . . . . . A 7 U C4' . 26024 1 64 . 1 1 7 7 U C5' C 13 68.874 . . . . . . A 7 U C5' . 26024 1 65 . 1 1 7 7 U C6 C 13 143.478 . . . . . . A 7 U C6 . 26024 1 66 . 1 1 7 7 U N1 N 15 143.938 . . . . . . A 7 U N1 . 26024 1 67 . 1 1 8 8 A H1' H 1 6.086 . . . . . . A 8 A H1' . 26024 1 68 . 1 1 8 8 A H2 H 1 7.904 . . . . . . A 8 A H2 . 26024 1 69 . 1 1 8 8 A H2' H 1 4.541 . . . . . . A 8 A H2' . 26024 1 70 . 1 1 8 8 A H3' H 1 4.829 . . . . . . A 8 A H3' . 26024 1 71 . 1 1 8 8 A H4' H 1 4.527 . . . . . . A 8 A H4' . 26024 1 72 . 1 1 8 8 A H5' H 1 4.311 . . . . . . A 8 A H5' . 26024 1 73 . 1 1 8 8 A H5'' H 1 4.138 . . . . . . A 8 A H5'' . 26024 1 74 . 1 1 8 8 A H8 H 1 8.434 . . . . . . A 8 A H8 . 26024 1 75 . 1 1 8 8 A C1' C 13 90.042 . . . . . . A 8 A C1' . 26024 1 76 . 1 1 8 8 A C2' C 13 75.466 . . . . . . A 8 A C2' . 26024 1 77 . 1 1 8 8 A C3' C 13 77.762 . . . . . . A 8 A C3' . 26024 1 78 . 1 1 8 8 A C4' C 13 84.961 . . . . . . A 8 A C4' . 26024 1 79 . 1 1 8 8 A C5' C 13 67.727 . . . . . . A 8 A C5' . 26024 1 80 . 1 1 8 8 A C8 C 13 142.115 . . . . . . A 8 A C8 . 26024 1 81 . 1 1 9 9 A H1' H 1 6.060 . . . . . . A 9 A H1' . 26024 1 82 . 1 1 9 9 A H2 H 1 8.057 . . . . . . A 9 A H2 . 26024 1 83 . 1 1 9 9 A H2' H 1 4.739 . . . . . . A 9 A H2' . 26024 1 84 . 1 1 9 9 A H3' H 1 4.689 . . . . . . A 9 A H3' . 26024 1 85 . 1 1 9 9 A H4' H 1 4.539 . . . . . . A 9 A H4' . 26024 1 86 . 1 1 9 9 A H5' H 1 4.518 . . . . . . A 9 A H5' . 26024 1 87 . 1 1 9 9 A H5'' H 1 4.270 . . . . . . A 9 A H5'' . 26024 1 88 . 1 1 9 9 A H8 H 1 8.319 . . . . . . A 9 A H8 . 26024 1 89 . 1 1 9 9 A C1' C 13 92.563 . . . . . . A 9 A C1' . 26024 1 90 . 1 1 9 9 A C2 C 13 154.767 . . . . . . A 9 A C2 . 26024 1 91 . 1 1 9 9 A C2' C 13 73.699 . . . . . . A 9 A C2' . 26024 1 92 . 1 1 9 9 A C3' C 13 76.900 . . . . . . A 9 A C3' . 26024 1 93 . 1 1 9 9 A C4' C 13 82.824 . . . . . . A 9 A C4' . 26024 1 94 . 1 1 9 9 A C5' C 13 65.842 . . . . . . A 9 A C5' . 26024 1 95 . 1 1 9 9 A C8 C 13 142.367 . . . . . . A 9 A C8 . 26024 1 96 . 1 1 9 9 A N9 N 15 168.640 . . . . . . A 9 A N9 . 26024 1 97 . 1 1 10 10 A H1' H 1 5.683 . . . . . . A 10 A H1' . 26024 1 98 . 1 1 10 10 A H2 H 1 7.611 . . . . . . A 10 A H2 . 26024 1 99 . 1 1 10 10 A H2' H 1 4.556 . . . . . . A 10 A H2' . 26024 1 100 . 1 1 10 10 A H3' H 1 4.541 . . . . . . A 10 A H3' . 26024 1 101 . 1 1 10 10 A H4' H 1 4.533 . . . . . . A 10 A H4' . 26024 1 102 . 1 1 10 10 A H5' H 1 4.434 . . . . . . A 10 A H5' . 26024 1 103 . 1 1 10 10 A H5'' H 1 4.130 . . . . . . A 10 A H5'' . 26024 1 104 . 1 1 10 10 A H8 H 1 7.602 . . . . . . A 10 A H8 . 26024 1 105 . 1 1 10 10 A C1' C 13 92.638 . . . . . . A 10 A C1' . 26024 1 106 . 1 1 10 10 A C2 C 13 153.357 . . . . . . A 10 A C2 . 26024 1 107 . 1 1 10 10 A C2' C 13 75.625 . . . . . . A 10 A C2' . 26024 1 108 . 1 1 10 10 A C4' C 13 82.444 . . . . . . A 10 A C4' . 26024 1 109 . 1 1 10 10 A C5' C 13 66.113 . . . . . . A 10 A C5' . 26024 1 110 . 1 1 10 10 A C8 C 13 139.460 . . . . . . A 10 A C8 . 26024 1 111 . 1 1 10 10 A N9 N 15 170.048 . . . . . . A 10 A N9 . 26024 1 112 . 1 1 11 11 A H1' H 1 5.923 . . . . . . A 11 A H1' . 26024 1 113 . 1 1 11 11 A H2 H 1 7.840 . . . . . . A 11 A H2 . 26024 1 114 . 1 1 11 11 A H2' H 1 4.284 . . . . . . A 11 A H2' . 26024 1 115 . 1 1 11 11 A H3' H 1 4.253 . . . . . . A 11 A H3' . 26024 1 116 . 1 1 11 11 A H4' H 1 4.211 . . . . . . A 11 A H4' . 26024 1 117 . 1 1 11 11 A H5' H 1 4.415 . . . . . . A 11 A H5' . 26024 1 118 . 1 1 11 11 A H5'' H 1 4.027 . . . . . . A 11 A H5'' . 26024 1 119 . 1 1 11 11 A H8 H 1 7.983 . . . . . . A 11 A H8 . 26024 1 120 . 1 1 11 11 A C1' C 13 91.916 . . . . . . A 11 A C1' . 26024 1 121 . 1 1 11 11 A C2 C 13 153.855 . . . . . . A 11 A C2 . 26024 1 122 . 1 1 11 11 A C3' C 13 70.345 . . . . . . A 11 A C3' . 26024 1 123 . 1 1 11 11 A C4' C 13 83.959 . . . . . . A 11 A C4' . 26024 1 124 . 1 1 11 11 A C5' C 13 65.518 . . . . . . A 11 A C5' . 26024 1 125 . 1 1 11 11 A C8 C 13 140.341 . . . . . . A 11 A C8 . 26024 1 126 . 1 1 11 11 A N9 N 15 171.280 . . . . . . A 11 A N9 . 26024 1 127 . 1 1 12 12 G H1' H 1 5.733 . . . . . . A 12 G H1' . 26024 1 128 . 1 1 12 12 G H2' H 1 4.450 . . . . . . A 12 G H2' . 26024 1 129 . 1 1 12 12 G H3' H 1 4.492 . . . . . . A 12 G H3' . 26024 1 130 . 1 1 12 12 G H8 H 1 7.863 . . . . . . A 12 G H8 . 26024 1 131 . 1 1 13 13 G H1' H 1 5.825 . . . . . . A 13 G H1' . 26024 1 132 . 1 1 13 13 G H2' H 1 4.538 . . . . . . A 13 G H2' . 26024 1 133 . 1 1 13 13 G H3' H 1 4.508 . . . . . . A 13 G H3' . 26024 1 134 . 1 1 13 13 G H4' H 1 4.622 . . . . . . A 13 G H4' . 26024 1 135 . 1 1 13 13 G H5' H 1 4.070 . . . . . . A 13 G H5' . 26024 1 136 . 1 1 13 13 G H5'' H 1 4.104 . . . . . . A 13 G H5'' . 26024 1 137 . 1 1 13 13 G H8 H 1 7.270 . . . . . . A 13 G H8 . 26024 1 138 . 1 1 14 14 C H1' H 1 5.544 . . . . . . A 14 C H1' . 26024 1 139 . 1 1 14 14 C H2' H 1 4.537 . . . . . . A 14 C H2' . 26024 1 140 . 1 1 14 14 C H3' H 1 4.246 . . . . . . A 14 C H3' . 26024 1 141 . 1 1 14 14 C H4' H 1 4.402 . . . . . . A 14 C H4' . 26024 1 142 . 1 1 14 14 C H5 H 1 5.204 . . . . . . A 14 C H5 . 26024 1 143 . 1 1 14 14 C H5' H 1 4.052 . . . . . . A 14 C H5' . 26024 1 144 . 1 1 14 14 C H5'' H 1 4.506 . . . . . . A 14 C H5'' . 26024 1 145 . 1 1 14 14 C H6 H 1 7.473 . . . . . . A 14 C H6 . 26024 1 146 . 1 1 15 15 U H1' H 1 5.678 . . . . . . A 15 U H1' . 26024 1 147 . 1 1 15 15 U H2' H 1 3.813 . . . . . . A 15 U H2' . 26024 1 148 . 1 1 15 15 U H3' H 1 4.526 . . . . . . A 15 U H3' . 26024 1 149 . 1 1 15 15 U H4' H 1 4.386 . . . . . . A 15 U H4' . 26024 1 150 . 1 1 15 15 U H5 H 1 5.724 . . . . . . A 15 U H5 . 26024 1 151 . 1 1 15 15 U H5' H 1 4.323 . . . . . . A 15 U H5' . 26024 1 152 . 1 1 15 15 U H5'' H 1 4.163 . . . . . . A 15 U H5'' . 26024 1 153 . 1 1 15 15 U H6 H 1 7.804 . . . . . . A 15 U H6 . 26024 1 154 . 1 1 15 15 U C1' C 13 94.644 . . . . . . A 15 U C1' . 26024 1 155 . 1 1 15 15 U C2' C 13 76.024 . . . . . . A 15 U C2' . 26024 1 156 . 1 1 15 15 U C3' C 13 73.234 . . . . . . A 15 U C3' . 26024 1 157 . 1 1 15 15 U C4' C 13 82.464 . . . . . . A 15 U C4' . 26024 1 158 . 1 1 15 15 U C5 C 13 105.007 . . . . . . A 15 U C5 . 26024 1 159 . 1 1 15 15 U C5' C 13 64.043 . . . . . . A 15 U C5' . 26024 1 160 . 1 1 15 15 U C6 C 13 140.773 . . . . . . A 15 U C6 . 26024 1 161 . 1 1 15 15 U N1 N 15 147.169 . . . . . . A 15 U N1 . 26024 1 162 . 1 1 16 16 U H1' H 1 6.105 . . . . . . A 16 U H1' . 26024 1 163 . 1 1 16 16 U H2' H 1 4.688 . . . . . . A 16 U H2' . 26024 1 164 . 1 1 16 16 U H3' H 1 4.031 . . . . . . A 16 U H3' . 26024 1 165 . 1 1 16 16 U H4' H 1 4.483 . . . . . . A 16 U H4' . 26024 1 166 . 1 1 16 16 U H5 H 1 5.872 . . . . . . A 16 U H5 . 26024 1 167 . 1 1 16 16 U H5' H 1 4.249 . . . . . . A 16 U H5' . 26024 1 168 . 1 1 16 16 U H5'' H 1 4.106 . . . . . . A 16 U H5'' . 26024 1 169 . 1 1 16 16 U H6 H 1 8.041 . . . . . . A 16 U H6 . 26024 1 170 . 1 1 16 16 U C1' C 13 89.213 . . . . . . A 16 U C1' . 26024 1 171 . 1 1 16 16 U C2' C 13 74.630 . . . . . . A 16 U C2' . 26024 1 172 . 1 1 16 16 U C3' C 13 77.867 . . . . . . A 16 U C3' . 26024 1 173 . 1 1 16 16 U C4' C 13 83.713 . . . . . . A 16 U C4' . 26024 1 174 . 1 1 16 16 U C5 C 13 105.494 . . . . . . A 16 U C5 . 26024 1 175 . 1 1 16 16 U C5' C 13 67.870 . . . . . . A 16 U C5' . 26024 1 176 . 1 1 16 16 U C6 C 13 144.688 . . . . . . A 16 U C6 . 26024 1 177 . 1 1 16 16 U N1 N 15 143.878 . . . . . . A 16 U N1 . 26024 1 178 . 1 1 17 17 C H1' H 1 5.974 . . . . . . A 17 C H1' . 26024 1 179 . 1 1 17 17 C H2' H 1 4.127 . . . . . . A 17 C H2' . 26024 1 180 . 1 1 17 17 C H3' H 1 4.502 . . . . . . A 17 C H3' . 26024 1 181 . 1 1 17 17 C H4' H 1 3.814 . . . . . . A 17 C H4' . 26024 1 182 . 1 1 17 17 C H5 H 1 6.154 . . . . . . A 17 C H5 . 26024 1 183 . 1 1 17 17 C H5' H 1 3.627 . . . . . . A 17 C H5' . 26024 1 184 . 1 1 17 17 C H5'' H 1 2.738 . . . . . . A 17 C H5'' . 26024 1 185 . 1 1 17 17 C H6 H 1 7.716 . . . . . . A 17 C H6 . 26024 1 186 . 1 1 18 18 G H1' H 1 5.974 . . . . . . A 18 G H1' . 26024 1 187 . 1 1 18 18 G H2' H 1 4.856 . . . . . . A 18 G H2' . 26024 1 188 . 1 1 18 18 G H3' H 1 5.630 . . . . . . A 18 G H3' . 26024 1 189 . 1 1 18 18 G H4' H 1 4.414 . . . . . . A 18 G H4' . 26024 1 190 . 1 1 18 18 G H5'' H 1 4.200 . . . . . . A 18 G H5'' . 26024 1 191 . 1 1 18 18 G H8 H 1 7.868 . . . . . . A 18 G H8 . 26024 1 192 . 1 1 19 19 G H1' H 1 4.465 . . . . . . A 19 G H1' . 26024 1 193 . 1 1 19 19 G H2' H 1 4.402 . . . . . . A 19 G H2' . 26024 1 194 . 1 1 19 19 G H5' H 1 4.230 . . . . . . A 19 G H5' . 26024 1 195 . 1 1 19 19 G H8 H 1 8.302 . . . . . . A 19 G H8 . 26024 1 196 . 1 1 20 20 C H1' H 1 5.633 . . . . . . A 20 C H1' . 26024 1 197 . 1 1 20 20 C H2' H 1 4.466 . . . . . . A 20 C H2' . 26024 1 198 . 1 1 20 20 C H3' H 1 4.232 . . . . . . A 20 C H3' . 26024 1 199 . 1 1 20 20 C H5 H 1 5.202 . . . . . . A 20 C H5 . 26024 1 200 . 1 1 20 20 C H6 H 1 7.685 . . . . . . A 20 C H6 . 26024 1 201 . 1 1 21 21 C H1' H 1 5.543 . . . . . . A 21 C H1' . 26024 1 202 . 1 1 21 21 C H2' H 1 4.667 . . . . . . A 21 C H2' . 26024 1 203 . 1 1 21 21 C H3' H 1 4.399 . . . . . . A 21 C H3' . 26024 1 204 . 1 1 21 21 C H5 H 1 5.393 . . . . . . A 21 C H5 . 26024 1 205 . 1 1 21 21 C H6 H 1 7.698 . . . . . . A 21 C H6 . 26024 1 206 . 1 1 22 22 U H1' H 1 5.596 . . . . . . A 22 U H1' . 26024 1 207 . 1 1 22 22 U H2' H 1 4.654 . . . . . . A 22 U H2' . 26024 1 208 . 1 1 22 22 U H3' H 1 4.388 . . . . . . A 22 U H3' . 26024 1 209 . 1 1 22 22 U H4' H 1 4.496 . . . . . . A 22 U H4' . 26024 1 210 . 1 1 22 22 U H5 H 1 4.905 . . . . . . A 22 U H5 . 26024 1 211 . 1 1 22 22 U H5' H 1 4.487 . . . . . . A 22 U H5' . 26024 1 212 . 1 1 22 22 U H5'' H 1 4.174 . . . . . . A 22 U H5'' . 26024 1 213 . 1 1 22 22 U H6 H 1 7.522 . . . . . . A 22 U H6 . 26024 1 214 . 1 1 22 22 U C1' C 13 93.315 . . . . . . A 22 U C1' . 26024 1 215 . 1 1 22 22 U C2' C 13 75.835 . . . . . . A 22 U C2' . 26024 1 216 . 1 1 22 22 U C3' C 13 73.501 . . . . . . A 22 U C3' . 26024 1 217 . 1 1 22 22 U C4' C 13 82.529 . . . . . . A 22 U C4' . 26024 1 218 . 1 1 22 22 U C5' C 13 65.642 . . . . . . A 22 U C5' . 26024 1 219 . 1 1 22 22 U C6 C 13 141.109 . . . . . . A 22 U C6 . 26024 1 220 . 1 1 22 22 U N1 N 15 145.854 . . . . . . A 22 U N1 . 26024 1 221 . 1 1 23 23 A H1' H 1 5.608 . . . . . . A 23 A H1' . 26024 1 222 . 1 1 23 23 A H2 H 1 8.042 . . . . . . A 23 A H2 . 26024 1 223 . 1 1 23 23 A H2' H 1 3.994 . . . . . . A 23 A H2' . 26024 1 224 . 1 1 23 23 A H3' H 1 4.141 . . . . . . A 23 A H3' . 26024 1 225 . 1 1 23 23 A H4' H 1 4.216 . . . . . . A 23 A H4' . 26024 1 226 . 1 1 23 23 A H5' H 1 4.296 . . . . . . A 23 A H5' . 26024 1 227 . 1 1 23 23 A H5'' H 1 3.991 . . . . . . A 23 A H5'' . 26024 1 228 . 1 1 23 23 A H8 H 1 8.392 . . . . . . A 23 A H8 . 26024 1 229 . 1 1 23 23 A C1' C 13 92.142 . . . . . . A 23 A C1' . 26024 1 230 . 1 1 23 23 A C2 C 13 154.617 . . . . . . A 23 A C2 . 26024 1 231 . 1 1 23 23 A C2' C 13 77.348 . . . . . . A 23 A C2' . 26024 1 232 . 1 1 23 23 A C3' C 13 70.348 . . . . . . A 23 A C3' . 26024 1 233 . 1 1 23 23 A C4' C 13 84.221 . . . . . . A 23 A C4' . 26024 1 234 . 1 1 23 23 A C5' C 13 65.418 . . . . . . A 23 A C5' . 26024 1 235 . 1 1 23 23 A C8 C 13 139.414 . . . . . . A 23 A C8 . 26024 1 236 . 1 1 23 23 A N9 N 15 171.109 . . . . . . A 23 A N9 . 26024 1 237 . 1 1 24 24 C H1' H 1 5.610 . . . . . . A 24 C H1' . 26024 1 238 . 1 1 24 24 C H2' H 1 4.480 . . . . . . A 24 C H2' . 26024 1 239 . 1 1 24 24 C H3' H 1 4.287 . . . . . . A 24 C H3' . 26024 1 240 . 1 1 24 24 C H5 H 1 5.629 . . . . . . A 24 C H5 . 26024 1 241 . 1 1 24 24 C H6 H 1 7.708 . . . . . . A 24 C H6 . 26024 1 242 . 1 1 25 25 G H1' H 1 5.422 . . . . . . A 25 G H1' . 26024 1 243 . 1 1 25 25 G H2' H 1 4.437 . . . . . . A 25 G H2' . 26024 1 244 . 1 1 25 25 G H8 H 1 7.816 . . . . . . A 25 G H8 . 26024 1 245 . 1 1 26 26 U H1' H 1 5.625 . . . . . . A 26 U H1' . 26024 1 246 . 1 1 26 26 U H2' H 1 4.566 . . . . . . A 26 U H2' . 26024 1 247 . 1 1 26 26 U H3' H 1 4.364 . . . . . . A 26 U H3' . 26024 1 248 . 1 1 26 26 U H4' H 1 4.353 . . . . . . A 26 U H4' . 26024 1 249 . 1 1 26 26 U H5 H 1 5.089 . . . . . . A 26 U H5 . 26024 1 250 . 1 1 26 26 U H5' H 1 4.529 . . . . . . A 26 U H5' . 26024 1 251 . 1 1 26 26 U H5'' H 1 4.073 . . . . . . A 26 U H5'' . 26024 1 252 . 1 1 26 26 U H6 H 1 7.853 . . . . . . A 26 U H6 . 26024 1 253 . 1 1 26 26 U C1' C 13 93.624 . . . . . . A 26 U C1' . 26024 1 254 . 1 1 26 26 U C2' C 13 75.880 . . . . . . A 26 U C2' . 26024 1 255 . 1 1 26 26 U C3' C 13 73.280 . . . . . . A 26 U C3' . 26024 1 256 . 1 1 26 26 U C4' C 13 82.752 . . . . . . A 26 U C4' . 26024 1 257 . 1 1 26 26 U C5 C 13 102.494 . . . . . . A 26 U C5 . 26024 1 258 . 1 1 26 26 U C5' C 13 64.805 . . . . . . A 26 U C5' . 26024 1 259 . 1 1 26 26 U C6 C 13 142.331 . . . . . . A 26 U C6 . 26024 1 260 . 1 1 26 26 U N1 N 15 147.180 . . . . . . A 26 U N1 . 26024 1 261 . 1 1 27 27 C H1' H 1 5.610 . . . . . . A 27 C H1' . 26024 1 262 . 1 1 27 27 C H2' H 1 4.357 . . . . . . A 27 C H2' . 26024 1 263 . 1 1 27 27 C H3' H 1 4.437 . . . . . . A 27 C H3' . 26024 1 264 . 1 1 27 27 C H4' H 1 4.094 . . . . . . A 27 C H4' . 26024 1 265 . 1 1 27 27 C H5 H 1 5.511 . . . . . . A 27 C H5 . 26024 1 266 . 1 1 27 27 C H5'' H 1 3.994 . . . . . . A 27 C H5'' . 26024 1 267 . 1 1 27 27 C H6 H 1 7.667 . . . . . . A 27 C H6 . 26024 1 268 . 1 1 28 28 C H1' H 1 5.546 . . . . . . A 28 C H1' . 26024 1 269 . 1 1 28 28 C H2' H 1 4.487 . . . . . . A 28 C H2' . 26024 1 270 . 1 1 28 28 C H3' H 1 4.456 . . . . . . A 28 C H3' . 26024 1 271 . 1 1 28 28 C H5 H 1 5.543 . . . . . . A 28 C H5 . 26024 1 272 . 1 1 28 28 C H5' H 1 4.095 . . . . . . A 28 C H5' . 26024 1 273 . 1 1 28 28 C H6 H 1 7.933 . . . . . . A 28 C H6 . 26024 1 stop_ save_