data_18975 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18975 _Entry.Title ; Unmodified Helix 69 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-25 _Entry.Accession_date 2013-01-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 JUN JIANG . . . 18975 2 RAVIPRASAD ADURI . . . 18975 3 CHRISTINE CHOW . S. . 18975 4 JOHN SANTALUCIA . . Jr. 18975 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' . 18975 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Helix 69' . 18975 Ribosomal . 18975 RNA . 18975 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18975 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 128 18975 '1H chemical shifts' 160 18975 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 . . 2014-02-17 2013-01-25 update BMRB 'update entry citation' 18975 1 . . 2014-01-02 2013-01-25 original author 'original release' 18975 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18975 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24371282 _Citation.Full_citation . _Citation.Title 'Structure modulation of helix 69 from Escherichia coli 23S ribosomal RNA by pseudouridylations.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _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 . _Citation.Page_last . _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jun Jiang . . . 18975 1 2 Raviprasad Aduri . . . 18975 1 3 Christine Chow . S. . 18975 1 4 John Santalucia . . Jr. 18975 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18975 _Assembly.ID 1 _Assembly.Name 'Unmodified Helix 69' _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 1 $RNA A . yes native no no . . . 18975 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA _Entity.Sf_category entity _Entity.Sf_framecode RNA _Entity.Entry_ID 18975 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA _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 GGCCGUAACUAUAACGGUC _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 6077.715 _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 1 G . 18975 1 2 2 G . 18975 1 3 3 C . 18975 1 4 4 C . 18975 1 5 5 G . 18975 1 6 6 U . 18975 1 7 7 A . 18975 1 8 8 A . 18975 1 9 9 C . 18975 1 10 10 U . 18975 1 11 11 A . 18975 1 12 12 U . 18975 1 13 13 A . 18975 1 14 14 A . 18975 1 15 15 C . 18975 1 16 16 G . 18975 1 17 17 G . 18975 1 18 18 U . 18975 1 19 19 C . 18975 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 18975 1 . G 2 2 18975 1 . C 3 3 18975 1 . C 4 4 18975 1 . G 5 5 18975 1 . U 6 6 18975 1 . A 7 7 18975 1 . A 8 8 18975 1 . C 9 9 18975 1 . U 10 10 18975 1 . A 11 11 18975 1 . U 12 12 18975 1 . A 13 13 18975 1 . A 14 14 18975 1 . C 15 15 18975 1 . G 16 16 18975 1 . G 17 17 18975 1 . U 18 18 18975 1 . C 19 19 18975 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 18975 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18975 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 18975 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18975 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18975 _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 'natural abundance' . . 1 $RNA . . 1.0 . . mM . . . . 18975 1 2 'Potassium Phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18975 1 3 'Potassium Chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18975 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18975 1 5 D20 'natural abundance' . . . . . . 100 . . % . . . . 18975 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18975 _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 'natural abundance' . . 1 $RNA . . 1.0 . . mM . . . . 18975 2 2 'Potassium Phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18975 2 3 'Potassium Chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18975 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18975 2 5 D20 'natural abundance' . . . . . . 90 . . % . . . . 18975 2 6 H2O 'natural abundance' . . . . . . 10 . . % . . . . 18975 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18975 _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 '[U-100% 13C; U-100% 15N]' . . 1 $RNA . . 1.0 . . mM . . . . 18975 3 2 'Potassium Phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18975 3 3 'Potassium Chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18975 3 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18975 3 5 D20 'natural abundance' . . . . . . 100 . . % . . . . 18975 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 18975 _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' 70 . mM 18975 1 pH 7.3 . pH 18975 1 pressure 1 . atm 18975 1 temperature 298.2 . K 18975 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18975 _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 . . 18975 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18975 1 'data analysis' 18975 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18975 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18975 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18975 2 'structure solution' 18975 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18975 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18975 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18975 3 processing 18975 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18975 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18975 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Mercury _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 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 18975 _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 Bruker Avance . 700 . . . 18975 1 2 spectrometer_2 Varian Mercury . 400 . . . 18975 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 18975 _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 NATURAL ABUNDANCE HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 4 '3D 1H-1H-1H TOCSY-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 5 '2D 1H-31P HETCOR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 6 '1D 31P' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 9 '3D 1H-13C-1H HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 10 '3D 1H-13C-1H HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 11 '3D 1H-13C-13C HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 1 12 '3D 1H-1H-13C NOESY-HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18975 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 18975 _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 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 18975 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 18975 _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 NATURAL ABUNDANCE HMQC' . . . 18975 1 2 '2D 1H-1H NOESY' . . . 18975 1 3 '2D DQF-COSY' . . . 18975 1 4 '3D 1H-1H-1H TOCSY-NOESY' . . . 18975 1 7 '2D 1H-1H NOESY' . . . 18975 1 8 '2D 1H-13C HSQC' . . . 18975 1 9 '3D 1H-13C-1H HCCH-COSY' . . . 18975 1 10 '3D 1H-13C-1H HCCH-TOCSY' . . . 18975 1 11 '3D 1H-13C-13C HCCH-TOCSY' . . . 18975 1 12 '3D 1H-1H-13C NOESY-HMQC' . . . 18975 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 5.829 0.003 26 1 . . . A 1 G H1' . 18975 1 2 . 1 1 1 1 G H2' H 1 4.835 0.002 15 1 . . . A 1 G H2' . 18975 1 3 . 1 1 1 1 G H3' H 1 4.744 0.003 19 1 . . . A 1 G H3' . 18975 1 4 . 1 1 1 1 G H4' H 1 4.538 0.002 10 1 . . . A 1 G H4' . 18975 1 5 . 1 1 1 1 G H5' H 1 4.303 0.003 8 2 . . . A 1 G H5' . 18975 1 6 . 1 1 1 1 G H5'' H 1 4.132 0.002 7 2 . . . A 1 G H5'' . 18975 1 7 . 1 1 1 1 G H8 H 1 8.216 0.002 38 1 . . . A 1 G H8 . 18975 1 8 . 1 1 1 1 G C1' C 13 89.302 0.000 1 1 . . . A 1 G C1' . 18975 1 9 . 1 1 1 1 G C2' C 13 72.544 0.000 0 1 . . . A 1 G C2' . 18975 1 10 . 1 1 1 1 G C3' C 13 72.110 0.000 0 1 . . . A 1 G C3' . 18975 1 11 . 1 1 1 1 G C4' C 13 80.878 0.000 0 1 . . . A 1 G C4' . 18975 1 12 . 1 1 1 1 G C5' C 13 64.593 0.000 0 1 . . . A 1 G C5' . 18975 1 13 . 1 1 1 1 G C8 C 13 136.526 0.006 3 1 . . . A 1 G C8 . 18975 1 14 . 1 1 2 2 G H1 H 1 11.601 0.002 6 1 . . . A 2 G H1 . 18975 1 15 . 1 1 2 2 G H1' H 1 5.948 0.003 43 1 . . . A 2 G H1' . 18975 1 16 . 1 1 2 2 G H2' H 1 4.730 0.003 32 1 . . . A 2 G H2' . 18975 1 17 . 1 1 2 2 G H3' H 1 4.580 0.003 21 1 . . . A 2 G H3' . 18975 1 18 . 1 1 2 2 G H4' H 1 4.586 0.004 20 1 . . . A 2 G H4' . 18975 1 19 . 1 1 2 2 G H5' H 1 4.572 0.002 13 2 . . . A 2 G H5' . 18975 1 20 . 1 1 2 2 G H5'' H 1 4.307 0.003 12 2 . . . A 2 G H5'' . 18975 1 21 . 1 1 2 2 G H8 H 1 7.604 0.004 55 1 . . . A 2 G H8 . 18975 1 22 . 1 1 2 2 G C1' C 13 90.595 0.020 17 1 . . . A 2 G C1' . 18975 1 23 . 1 1 2 2 G C2' C 13 72.606 0.010 5 1 . . . A 2 G C2' . 18975 1 24 . 1 1 2 2 G C3' C 13 70.197 0.004 5 1 . . . A 2 G C3' . 18975 1 25 . 1 1 2 2 G C4' C 13 79.810 0.036 10 1 . . . A 2 G C4' . 18975 1 26 . 1 1 2 2 G C5' C 13 63.185 0.016 5 1 . . . A 2 G C5' . 18975 1 27 . 1 1 2 2 G C8 C 13 134.435 0.027 3 1 . . . A 2 G C8 . 18975 1 28 . 1 1 3 3 C H1' H 1 5.573 0.002 45 1 . . . A 3 C H1' . 18975 1 29 . 1 1 3 3 C H2' H 1 4.339 0.002 30 2 . . . A 3 C H2' . 18975 1 30 . 1 1 3 3 C H3' H 1 4.558 0.004 28 1 . . . A 3 C H3' . 18975 1 31 . 1 1 3 3 C H4' H 1 4.461 0.003 24 1 . . . A 3 C H4' . 18975 1 32 . 1 1 3 3 C H5 H 1 5.493 0.031 28 1 . . . A 3 C H5 . 18975 1 33 . 1 1 3 3 C H5' H 1 4.572 0.003 16 2 . . . A 3 C H5' . 18975 1 34 . 1 1 3 3 C H5'' H 1 4.138 0.002 13 2 . . . A 3 C H5'' . 18975 1 35 . 1 1 3 3 C H6 H 1 7.802 0.016 61 1 . . . A 3 C H6 . 18975 1 36 . 1 1 3 3 C H41 H 1 8.398 0.003 4 1 . . . A 3 C H41 . 18975 1 37 . 1 1 3 3 C H42 H 1 6.919 0.004 5 1 . . . A 3 C H42 . 18975 1 38 . 1 1 3 3 C C1' C 13 91.135 0.025 16 1 . . . A 3 C C1' . 18975 1 39 . 1 1 3 3 C C2' C 13 73.044 0.014 5 1 . . . A 3 C C2' . 18975 1 40 . 1 1 3 3 C C3' C 13 69.227 0.036 6 1 . . . A 3 C C3' . 18975 1 41 . 1 1 3 3 C C4' C 13 79.206 0.015 10 1 . . . A 3 C C4' . 18975 1 42 . 1 1 3 3 C C5 C 13 94.663 0.020 5 1 . . . A 3 C C5 . 18975 1 43 . 1 1 3 3 C C5' C 13 61.397 0.024 6 1 . . . A 3 C C5' . 18975 1 44 . 1 1 3 3 C C6 C 13 137.828 0.007 4 1 . . . A 3 C C6 . 18975 1 45 . 1 1 4 4 C H1' H 1 5.557 0.003 31 1 . . . A 4 C H1' . 18975 1 46 . 1 1 4 4 C H2' H 1 4.617 0.002 27 1 . . . A 4 C H2' . 18975 1 47 . 1 1 4 4 C H3' H 1 4.561 0.003 22 1 . . . A 4 C H3' . 18975 1 48 . 1 1 4 4 C H4' H 1 4.442 0.003 17 1 . . . A 4 C H4' . 18975 1 49 . 1 1 4 4 C H5 H 1 5.528 0.034 24 1 . . . A 4 C H5 . 18975 1 50 . 1 1 4 4 C H5' H 1 4.551 0.002 8 2 . . . A 4 C H5' . 18975 1 51 . 1 1 4 4 C H5'' H 1 4.127 0.002 14 2 . . . A 4 C H5'' . 18975 1 52 . 1 1 4 4 C H6 H 1 7.753 0.022 63 1 . . . A 4 C H6 . 18975 1 53 . 1 1 4 4 C H41 H 1 8.269 0.003 5 1 . . . A 4 C H41 . 18975 1 54 . 1 1 4 4 C H42 H 1 6.700 0.007 7 1 . . . A 4 C H42 . 18975 1 55 . 1 1 4 4 C C1' C 13 91.218 0.021 12 1 . . . A 4 C C1' . 18975 1 56 . 1 1 4 4 C C2' C 13 72.823 0.010 5 1 . . . A 4 C C2' . 18975 1 57 . 1 1 4 4 C C3' C 13 69.805 0.012 6 1 . . . A 4 C C3' . 18975 1 58 . 1 1 4 4 C C4' C 13 79.101 0.013 8 1 . . . A 4 C C4' . 18975 1 59 . 1 1 4 4 C C5 C 13 95.360 0.011 6 1 . . . A 4 C C5 . 18975 1 60 . 1 1 4 4 C C5' C 13 62.075 0.008 6 1 . . . A 4 C C5' . 18975 1 61 . 1 1 4 4 C C6 C 13 138.037 0.015 5 1 . . . A 4 C C6 . 18975 1 62 . 1 1 5 5 G H1 H 1 12.710 0.004 6 1 . . . A 5 G H1 . 18975 1 63 . 1 1 5 5 G H1' H 1 5.720 0.004 41 1 . . . A 5 G H1' . 18975 1 64 . 1 1 5 5 G H2' H 1 4.501 0.003 34 1 . . . A 5 G H2' . 18975 1 65 . 1 1 5 5 G H3' H 1 4.492 0.004 28 1 . . . A 5 G H3' . 18975 1 66 . 1 1 5 5 G H4' H 1 4.489 0.004 21 1 . . . A 5 G H4' . 18975 1 67 . 1 1 5 5 G H5' H 1 4.480 0.004 9 2 . . . A 5 G H5' . 18975 1 68 . 1 1 5 5 G H5'' H 1 4.124 0.001 14 2 . . . A 5 G H5'' . 18975 1 69 . 1 1 5 5 G H8 H 1 7.523 0.003 60 1 . . . A 5 G H8 . 18975 1 70 . 1 1 5 5 G C1' C 13 90.414 0.020 15 1 . . . A 5 G C1' . 18975 1 71 . 1 1 5 5 G C2' C 13 72.683 0.031 9 1 . . . A 5 G C2' . 18975 1 72 . 1 1 5 5 G C3' C 13 70.536 0.011 7 1 . . . A 5 G C3' . 18975 1 73 . 1 1 5 5 G C4' C 13 79.449 0.009 11 1 . . . A 5 G C4' . 18975 1 74 . 1 1 5 5 G C5' C 13 63.309 0.010 6 1 . . . A 5 G C5' . 18975 1 75 . 1 1 5 5 G C8 C 13 133.533 0.014 3 1 . . . A 5 G C8 . 18975 1 76 . 1 1 6 6 U H1' H 1 5.577 0.003 56 1 . . . A 6 U H1' . 18975 1 77 . 1 1 6 6 U H2' H 1 4.561 0.001 32 1 . . . A 6 U H2' . 18975 1 78 . 1 1 6 6 U H3' H 1 4.483 0.003 36 1 . . . A 6 U H3' . 18975 1 79 . 1 1 6 6 U H4' H 1 4.444 0.005 29 1 . . . A 6 U H4' . 18975 1 80 . 1 1 6 6 U H5 H 1 4.952 0.020 29 1 . . . A 6 U H5 . 18975 1 81 . 1 1 6 6 U H5' H 1 4.543 0.003 9 2 . . . A 6 U H5' . 18975 1 82 . 1 1 6 6 U H5'' H 1 4.124 0.002 17 2 . . . A 6 U H5'' . 18975 1 83 . 1 1 6 6 U H6 H 1 7.529 0.016 66 1 . . . A 6 U H6 . 18975 1 84 . 1 1 6 6 U C1' C 13 90.620 0.031 21 1 . . . A 6 U C1' . 18975 1 85 . 1 1 6 6 U C2' C 13 72.871 0.036 9 1 . . . A 6 U C2' . 18975 1 86 . 1 1 6 6 U C3' C 13 70.239 0.009 11 1 . . . A 6 U C3' . 18975 1 87 . 1 1 6 6 U C4' C 13 79.769 0.007 12 1 . . . A 6 U C4' . 18975 1 88 . 1 1 6 6 U C5 C 13 100.071 0.079 6 1 . . . A 6 U C5 . 18975 1 89 . 1 1 6 6 U C5' C 13 62.186 0.008 6 1 . . . A 6 U C5' . 18975 1 90 . 1 1 6 6 U C6 C 13 138.339 0.015 5 1 . . . A 6 U C6 . 18975 1 91 . 1 1 7 7 A H1' H 1 5.756 0.002 58 1 . . . A 7 A H1' . 18975 1 92 . 1 1 7 7 A H2 H 1 7.508 0.003 31 1 . . . A 7 A H2 . 18975 1 93 . 1 1 7 7 A H2' H 1 4.621 0.002 31 1 . . . A 7 A H2' . 18975 1 94 . 1 1 7 7 A H3' H 1 4.634 0.002 33 1 . . . A 7 A H3' . 18975 1 95 . 1 1 7 7 A H4' H 1 4.549 0.002 27 1 . . . A 7 A H4' . 18975 1 96 . 1 1 7 7 A H5' H 1 4.428 0.001 10 2 . . . A 7 A H5' . 18975 1 97 . 1 1 7 7 A H5'' H 1 4.204 0.001 15 2 . . . A 7 A H5'' . 18975 1 98 . 1 1 7 7 A H8 H 1 8.118 0.002 72 1 . . . A 7 A H8 . 18975 1 99 . 1 1 7 7 A C1' C 13 89.992 0.052 20 1 . . . A 7 A C1' . 18975 1 100 . 1 1 7 7 A C2 C 13 151.572 0.009 7 1 . . . A 7 A C2 . 18975 1 101 . 1 1 7 7 A C2' C 13 72.566 0.015 8 1 . . . A 7 A C2' . 18975 1 102 . 1 1 7 7 A C3' C 13 71.698 0.006 10 1 . . . A 7 A C3' . 18975 1 103 . 1 1 7 7 A C4' C 13 80.647 0.011 12 1 . . . A 7 A C4' . 18975 1 104 . 1 1 7 7 A C5' C 13 63.773 0.009 7 1 . . . A 7 A C5' . 18975 1 105 . 1 1 7 7 A C8 C 13 137.365 0.008 7 1 . . . A 7 A C8 . 18975 1 106 . 1 1 8 8 A H1' H 1 5.558 0.002 65 1 . . . A 8 A H1' . 18975 1 107 . 1 1 8 8 A H2 H 1 7.909 0.002 14 1 . . . A 8 A H2 . 18975 1 108 . 1 1 8 8 A H2' H 1 4.298 0.002 42 1 . . . A 8 A H2' . 18975 1 109 . 1 1 8 8 A H3' H 1 4.574 0.003 34 1 . . . A 8 A H3' . 18975 1 110 . 1 1 8 8 A H4' H 1 4.258 0.003 28 1 . . . A 8 A H4' . 18975 1 111 . 1 1 8 8 A H5' H 1 4.428 0.002 12 2 . . . A 8 A H5' . 18975 1 112 . 1 1 8 8 A H5'' H 1 4.098 0.001 13 2 . . . A 8 A H5'' . 18975 1 113 . 1 1 8 8 A H8 H 1 7.920 0.002 69 1 . . . A 8 A H8 . 18975 1 114 . 1 1 8 8 A C1' C 13 89.194 0.028 25 1 . . . A 8 A C1' . 18975 1 115 . 1 1 8 8 A C2 C 13 152.395 0.006 2 1 . . . A 8 A C2 . 18975 1 116 . 1 1 8 8 A C2' C 13 73.131 0.008 8 1 . . . A 8 A C2' . 18975 1 117 . 1 1 8 8 A C3' C 13 70.798 0.010 10 1 . . . A 8 A C3' . 18975 1 118 . 1 1 8 8 A C4' C 13 80.285 0.011 12 1 . . . A 8 A C4' . 18975 1 119 . 1 1 8 8 A C5' C 13 62.684 0.003 8 1 . . . A 8 A C5' . 18975 1 120 . 1 1 8 8 A C8 C 13 137.113 0.004 8 1 . . . A 8 A C8 . 18975 1 121 . 1 1 9 9 C H1' H 1 5.530 0.004 65 1 . . . A 9 C H1' . 18975 1 122 . 1 1 9 9 C H2' H 1 4.044 0.003 36 1 . . . A 9 C H2' . 18975 1 123 . 1 1 9 9 C H3' H 1 4.416 0.002 42 1 . . . A 9 C H3' . 18975 1 124 . 1 1 9 9 C H4' H 1 4.008 0.002 39 1 . . . A 9 C H4' . 18975 1 125 . 1 1 9 9 C H5 H 1 5.412 0.016 40 1 . . . A 9 C H5 . 18975 1 126 . 1 1 9 9 C H5' H 1 4.184 0.002 12 2 . . . A 9 C H5' . 18975 1 127 . 1 1 9 9 C H5'' H 1 3.941 0.002 17 2 . . . A 9 C H5'' . 18975 1 128 . 1 1 9 9 C H6 H 1 7.389 0.014 75 1 . . . A 9 C H6 . 18975 1 129 . 1 1 9 9 C C1' C 13 88.113 0.032 29 1 . . . A 9 C C1' . 18975 1 130 . 1 1 9 9 C C2' C 13 73.525 0.004 9 1 . . . A 9 C C2' . 18975 1 131 . 1 1 9 9 C C3' C 13 73.931 0.051 13 1 . . . A 9 C C3' . 18975 1 132 . 1 1 9 9 C C4' C 13 81.562 0.010 18 1 . . . A 9 C C4' . 18975 1 133 . 1 1 9 9 C C5 C 13 95.421 0.006 11 1 . . . A 9 C C5 . 18975 1 134 . 1 1 9 9 C C5' C 13 64.058 0.004 8 1 . . . A 9 C C5' . 18975 1 135 . 1 1 9 9 C C6 C 13 139.443 0.005 3 1 . . . A 9 C C6 . 18975 1 136 . 1 1 10 10 U H1' H 1 5.785 0.003 48 1 . . . A 10 U H1' . 18975 1 137 . 1 1 10 10 U H2' H 1 4.204 0.002 31 1 . . . A 10 U H2' . 18975 1 138 . 1 1 10 10 U H3' H 1 4.459 0.002 36 1 . . . A 10 U H3' . 18975 1 139 . 1 1 10 10 U H4' H 1 4.304 0.003 32 1 . . . A 10 U H4' . 18975 1 140 . 1 1 10 10 U H5 H 1 5.783 0.020 27 1 . . . A 10 U H5 . 18975 1 141 . 1 1 10 10 U H5' H 1 3.916 0.001 13 2 . . . A 10 U H5' . 18975 1 142 . 1 1 10 10 U H5'' H 1 3.846 0.002 16 2 . . . A 10 U H5'' . 18975 1 143 . 1 1 10 10 U H6 H 1 7.616 0.015 65 1 . . . A 10 U H6 . 18975 1 144 . 1 1 10 10 U C1' C 13 87.100 0.026 23 1 . . . A 10 U C1' . 18975 1 145 . 1 1 10 10 U C2' C 13 72.902 0.003 5 1 . . . A 10 U C2' . 18975 1 146 . 1 1 10 10 U C3' C 13 74.813 0.037 12 1 . . . A 10 U C3' . 18975 1 147 . 1 1 10 10 U C4' C 13 82.002 0.008 13 1 . . . A 10 U C4' . 18975 1 148 . 1 1 10 10 U C5 C 13 102.801 0.026 7 1 . . . A 10 U C5 . 18975 1 149 . 1 1 10 10 U C5' C 13 65.065 0.009 8 1 . . . A 10 U C5' . 18975 1 150 . 1 1 10 10 U C6 C 13 140.614 0.003 6 1 . . . A 10 U C6 . 18975 1 151 . 1 1 11 11 A H1' H 1 5.910 0.002 56 1 . . . A 11 A H1' . 18975 1 152 . 1 1 11 11 A H2 H 1 7.906 0.002 14 1 . . . A 11 A H2 . 18975 1 153 . 1 1 11 11 A H2' H 1 4.824 0.002 18 1 . . . A 11 A H2' . 18975 1 154 . 1 1 11 11 A H3' H 1 4.807 0.002 22 1 . . . A 11 A H3' . 18975 1 155 . 1 1 11 11 A H4' H 1 4.488 0.002 31 1 . . . A 11 A H4' . 18975 1 156 . 1 1 11 11 A H5' H 1 4.248 0.002 13 2 . . . A 11 A H5' . 18975 1 157 . 1 1 11 11 A H5'' H 1 4.123 0.003 14 2 . . . A 11 A H5'' . 18975 1 158 . 1 1 11 11 A H8 H 1 8.281 0.002 64 1 . . . A 11 A H8 . 18975 1 159 . 1 1 11 11 A C1' C 13 87.700 0.045 23 1 . . . A 11 A C1' . 18975 1 160 . 1 1 11 11 A C2 C 13 152.250 0.017 4 1 . . . A 11 A C2 . 18975 1 161 . 1 1 11 11 A C2' C 13 72.996 0.004 6 1 . . . A 11 A C2' . 18975 1 162 . 1 1 11 11 A C3' C 13 73.505 0.008 9 1 . . . A 11 A C3' . 18975 1 163 . 1 1 11 11 A C4' C 13 81.897 0.016 13 1 . . . A 11 A C4' . 18975 1 164 . 1 1 11 11 A C5' C 13 64.847 0.003 6 1 . . . A 11 A C5' . 18975 1 165 . 1 1 11 11 A C8 C 13 139.152 0.005 5 1 . . . A 11 A C8 . 18975 1 166 . 1 1 12 12 U H1' H 1 5.954 0.008 55 1 . . . A 12 U H1' . 18975 1 167 . 1 1 12 12 U H2' H 1 4.418 0.002 29 1 . . . A 12 U H2' . 18975 1 168 . 1 1 12 12 U H3' H 1 4.729 0.002 34 1 . . . A 12 U H3' . 18975 1 169 . 1 1 12 12 U H4' H 1 4.553 0.001 33 1 . . . A 12 U H4' . 18975 1 170 . 1 1 12 12 U H5 H 1 5.738 0.023 19 1 . . . A 12 U H5 . 18975 1 171 . 1 1 12 12 U H5' H 1 4.305 0.002 12 2 . . . A 12 U H5' . 18975 1 172 . 1 1 12 12 U H5'' H 1 4.249 0.001 15 2 . . . A 12 U H5'' . 18975 1 173 . 1 1 12 12 U H6 H 1 7.770 0.015 67 1 . . . A 12 U H6 . 18975 1 174 . 1 1 12 12 U C1' C 13 87.974 0.105 21 1 . . . A 12 U C1' . 18975 1 175 . 1 1 12 12 U C2' C 13 73.021 0.007 5 1 . . . A 12 U C2' . 18975 1 176 . 1 1 12 12 U C3' C 13 74.102 0.018 11 1 . . . A 12 U C3' . 18975 1 177 . 1 1 12 12 U C4' C 13 82.408 0.006 13 1 . . . A 12 U C4' . 18975 1 178 . 1 1 12 12 U C5 C 13 102.466 0.030 6 1 . . . A 12 U C5 . 18975 1 179 . 1 1 12 12 U C5' C 13 65.027 0.010 6 1 . . . A 12 U C5' . 18975 1 180 . 1 1 12 12 U C6 C 13 140.696 0.007 5 1 . . . A 12 U C6 . 18975 1 181 . 1 1 13 13 A H1' H 1 5.950 0.003 55 1 . . . A 13 A H1' . 18975 1 182 . 1 1 13 13 A H2 H 1 7.912 0.002 15 1 . . . A 13 A H2 . 18975 1 183 . 1 1 13 13 A H2' H 1 4.813 0.003 22 1 . . . A 13 A H2' . 18975 1 184 . 1 1 13 13 A H3' H 1 4.669 0.002 29 1 . . . A 13 A H3' . 18975 1 185 . 1 1 13 13 A H4' H 1 4.636 0.003 27 1 . . . A 13 A H4' . 18975 1 186 . 1 1 13 13 A H5' H 1 4.404 0.001 11 2 . . . A 13 A H5' . 18975 1 187 . 1 1 13 13 A H5'' H 1 4.293 0.002 15 2 . . . A 13 A H5'' . 18975 1 188 . 1 1 13 13 A H8 H 1 8.201 0.002 60 1 . . . A 13 A H8 . 18975 1 189 . 1 1 13 13 A C1' C 13 88.800 0.048 22 1 . . . A 13 A C1' . 18975 1 190 . 1 1 13 13 A C2 C 13 151.907 0.003 4 1 . . . A 13 A C2 . 18975 1 191 . 1 1 13 13 A C2' C 13 73.152 0.014 5 1 . . . A 13 A C2' . 18975 1 192 . 1 1 13 13 A C3' C 13 73.092 0.014 6 1 . . . A 13 A C3' . 18975 1 193 . 1 1 13 13 A C4' C 13 81.407 0.011 13 1 . . . A 13 A C4' . 18975 1 194 . 1 1 13 13 A C5' C 13 65.356 0.004 6 1 . . . A 13 A C5' . 18975 1 195 . 1 1 13 13 A C8 C 13 138.372 0.006 6 1 . . . A 13 A C8 . 18975 1 196 . 1 1 14 14 A H1' H 1 5.697 0.002 62 1 . . . A 14 A H1' . 18975 1 197 . 1 1 14 14 A H2 H 1 7.717 0.002 34 1 . . . A 14 A H2 . 18975 1 198 . 1 1 14 14 A H2' H 1 4.592 0.003 35 1 . . . A 14 A H2' . 18975 1 199 . 1 1 14 14 A H3' H 1 4.560 0.002 30 1 . . . A 14 A H3' . 18975 1 200 . 1 1 14 14 A H4' H 1 4.545 0.001 27 1 . . . A 14 A H4' . 18975 1 201 . 1 1 14 14 A H5' H 1 4.482 0.001 9 2 . . . A 14 A H5' . 18975 1 202 . 1 1 14 14 A H5'' H 1 4.226 0.001 16 2 . . . A 14 A H5'' . 18975 1 203 . 1 1 14 14 A H8 H 1 8.021 0.002 70 1 . . . A 14 A H8 . 18975 1 204 . 1 1 14 14 A C1' C 13 90.005 0.018 19 1 . . . A 14 A C1' . 18975 1 205 . 1 1 14 14 A C2 C 13 150.763 0.010 7 1 . . . A 14 A C2 . 18975 1 206 . 1 1 14 14 A C2' C 13 72.590 0.014 8 1 . . . A 14 A C2' . 18975 1 207 . 1 1 14 14 A C3' C 13 70.710 0.018 9 1 . . . A 14 A C3' . 18975 1 208 . 1 1 14 14 A C4' C 13 79.867 0.020 12 1 . . . A 14 A C4' . 18975 1 209 . 1 1 14 14 A C5' C 13 63.324 0.030 7 1 . . . A 14 A C5' . 18975 1 210 . 1 1 14 14 A C8 C 13 137.272 0.015 5 1 . . . A 14 A C8 . 18975 1 211 . 1 1 15 15 C H1' H 1 5.457 0.003 58 1 . . . A 15 C H1' . 18975 1 212 . 1 1 15 15 C H2' H 1 4.469 0.006 30 1 . . . A 15 C H2' . 18975 1 213 . 1 1 15 15 C H3' H 1 4.427 0.002 30 1 . . . A 15 C H3' . 18975 1 214 . 1 1 15 15 C H4' H 1 4.469 0.017 19 1 . . . A 15 C H4' . 18975 1 215 . 1 1 15 15 C H5 H 1 5.151 0.028 39 1 . . . A 15 C H5 . 18975 1 216 . 1 1 15 15 C H5' H 1 4.503 0.001 8 2 . . . A 15 C H5' . 18975 1 217 . 1 1 15 15 C H5'' H 1 4.101 0.005 19 2 . . . A 15 C H5'' . 18975 1 218 . 1 1 15 15 C H6 H 1 7.400 0.017 68 1 . . . A 15 C H6 . 18975 1 219 . 1 1 15 15 C H41 H 1 8.108 0.001 4 1 . . . A 15 C H41 . 18975 1 220 . 1 1 15 15 C H42 H 1 6.641 0.004 4 1 . . . A 15 C H42 . 18975 1 221 . 1 1 15 15 C C1' C 13 90.851 0.021 24 1 . . . A 15 C C1' . 18975 1 222 . 1 1 15 15 C C2' C 13 72.793 0.005 6 1 . . . A 15 C C2' . 18975 1 223 . 1 1 15 15 C C3' C 13 69.909 0.025 5 1 . . . A 15 C C3' . 18975 1 224 . 1 1 15 15 C C4' C 13 79.149 0.022 12 1 . . . A 15 C C4' . 18975 1 225 . 1 1 15 15 C C5 C 13 94.754 0.019 9 1 . . . A 15 C C5 . 18975 1 226 . 1 1 15 15 C C5' C 13 62.464 0.021 8 1 . . . A 15 C C5' . 18975 1 227 . 1 1 15 15 C C6 C 13 137.768 0.031 6 1 . . . A 15 C C6 . 18975 1 228 . 1 1 16 16 G H1 H 1 12.325 0.006 8 1 . . . A 16 G H1 . 18975 1 229 . 1 1 16 16 G H1' H 1 5.743 0.003 38 1 . . . A 16 G H1' . 18975 1 230 . 1 1 16 16 G H2' H 1 4.698 0.001 29 1 . . . A 16 G H2' . 18975 1 231 . 1 1 16 16 G H3' H 1 4.567 0.002 19 1 . . . A 16 G H3' . 18975 1 232 . 1 1 16 16 G H4' H 1 4.494 0.003 11 1 . . . A 16 G H4' . 18975 1 233 . 1 1 16 16 G H5' H 1 4.488 0.003 3 2 . . . A 16 G H5' . 18975 1 234 . 1 1 16 16 G H5'' H 1 4.126 0.001 12 2 . . . A 16 G H5'' . 18975 1 235 . 1 1 16 16 G H8 H 1 7.544 0.002 48 1 . . . A 16 G H8 . 18975 1 236 . 1 1 16 16 G C1' C 13 90.001 0.038 15 1 . . . A 16 G C1' . 18975 1 237 . 1 1 16 16 G C2' C 13 72.682 0.010 5 1 . . . A 16 G C2' . 18975 1 238 . 1 1 16 16 G C3' C 13 70.401 0.007 5 1 . . . A 16 G C3' . 18975 1 239 . 1 1 16 16 G C4' C 13 79.383 0.024 2 1 . . . A 16 G C4' . 18975 1 240 . 1 1 16 16 G C5' C 13 63.193 0.011 6 1 . . . A 16 G C5' . 18975 1 241 . 1 1 16 16 G C8 C 13 133.410 0.013 2 1 . . . A 16 G C8 . 18975 1 242 . 1 1 17 17 G H1 H 1 13.402 0.003 14 1 . . . A 17 G H1 . 18975 1 243 . 1 1 17 17 G H1' H 1 5.756 0.004 45 1 . . . A 17 G H1' . 18975 1 244 . 1 1 17 17 G H2' H 1 4.648 0.003 35 1 . . . A 17 G H2' . 18975 1 245 . 1 1 17 17 G H3' H 1 4.397 0.003 31 1 . . . A 17 G H3' . 18975 1 246 . 1 1 17 17 G H4' H 1 4.486 0.004 22 1 . . . A 17 G H4' . 18975 1 247 . 1 1 17 17 G H5' H 1 4.521 0.004 7 2 . . . A 17 G H5' . 18975 1 248 . 1 1 17 17 G H5'' H 1 4.088 0.002 13 2 . . . A 17 G H5'' . 18975 1 249 . 1 1 17 17 G H8 H 1 7.241 0.003 60 1 . . . A 17 G H8 . 18975 1 250 . 1 1 17 17 G C1' C 13 90.327 0.016 14 1 . . . A 17 G C1' . 18975 1 251 . 1 1 17 17 G C2' C 13 72.498 0.012 5 1 . . . A 17 G C2' . 18975 1 252 . 1 1 17 17 G C3' C 13 69.905 0.010 6 1 . . . A 17 G C3' . 18975 1 253 . 1 1 17 17 G C4' C 13 79.337 0.008 8 1 . . . A 17 G C4' . 18975 1 254 . 1 1 17 17 G C5' C 13 62.457 0.003 6 1 . . . A 17 G C5' . 18975 1 255 . 1 1 17 17 G C8 C 13 133.272 0.006 5 1 . . . A 17 G C8 . 18975 1 256 . 1 1 18 18 U H1' H 1 5.557 0.003 44 1 . . . A 18 U H1' . 18975 1 257 . 1 1 18 18 U H2' H 1 4.149 0.002 25 1 . . . A 18 U H2' . 18975 1 258 . 1 1 18 18 U H3 H 1 12.234 0.006 8 1 . . . A 18 U H3 . 18975 1 259 . 1 1 18 18 U H3' H 1 4.540 0.003 18 1 . . . A 18 U H3' . 18975 1 260 . 1 1 18 18 U H4' H 1 4.414 0.003 17 1 . . . A 18 U H4' . 18975 1 261 . 1 1 18 18 U H5 H 1 5.430 0.022 25 1 . . . A 18 U H5 . 18975 1 262 . 1 1 18 18 U H5' H 1 4.535 0.004 9 2 . . . A 18 U H5' . 18975 1 263 . 1 1 18 18 U H5'' H 1 4.075 0.003 9 2 . . . A 18 U H5'' . 18975 1 264 . 1 1 18 18 U H6 H 1 7.769 0.015 64 1 . . . A 18 U H6 . 18975 1 265 . 1 1 18 18 U C1' C 13 91.407 0.038 17 1 . . . A 18 U C1' . 18975 1 266 . 1 1 18 18 U C2' C 13 73.002 0.009 2 1 . . . A 18 U C2' . 18975 1 267 . 1 1 18 18 U C3' C 13 69.312 0.005 3 1 . . . A 18 U C3' . 18975 1 268 . 1 1 18 18 U C4' C 13 79.169 0.015 6 1 . . . A 18 U C4' . 18975 1 269 . 1 1 18 18 U C5 C 13 101.062 0.073 4 1 . . . A 18 U C5 . 18975 1 270 . 1 1 18 18 U C5' C 13 61.292 0.007 5 1 . . . A 18 U C5' . 18975 1 271 . 1 1 18 18 U C6 C 13 137.983 0.014 6 1 . . . A 18 U C6 . 18975 1 272 . 1 1 19 19 C H1' H 1 5.929 0.003 41 1 . . . A 19 C H1' . 18975 1 273 . 1 1 19 19 C H2' H 1 4.040 0.004 21 1 . . . A 19 C H2' . 18975 1 274 . 1 1 19 19 C H3' H 1 4.275 0.002 23 1 . . . A 19 C H3' . 18975 1 275 . 1 1 19 19 C H4' H 1 4.158 0.002 22 1 . . . A 19 C H4' . 18975 1 276 . 1 1 19 19 C H5 H 1 5.690 0.039 22 1 . . . A 19 C H5 . 18975 1 277 . 1 1 19 19 C H5' H 1 4.547 0.003 11 2 . . . A 19 C H5' . 18975 1 278 . 1 1 19 19 C H5'' H 1 4.050 0.004 5 2 . . . A 19 C H5'' . 18975 1 279 . 1 1 19 19 C H6 H 1 7.826 0.017 65 1 . . . A 19 C H6 . 18975 1 280 . 1 1 19 19 C H41 H 1 8.425 0.002 3 1 . . . A 19 C H41 . 18975 1 281 . 1 1 19 19 C H42 H 1 6.870 0.006 3 1 . . . A 19 C H42 . 18975 1 282 . 1 1 19 19 C C1' C 13 89.825 0.025 18 1 . . . A 19 C C1' . 18975 1 283 . 1 1 19 19 C C2' C 13 74.805 0.003 2 1 . . . A 19 C C2' . 18975 1 284 . 1 1 19 19 C C3' C 13 67.169 0.007 3 1 . . . A 19 C C3' . 18975 1 285 . 1 1 19 19 C C4' C 13 80.645 0.011 10 1 . . . A 19 C C4' . 18975 1 286 . 1 1 19 19 C C5 C 13 95.249 0.027 5 1 . . . A 19 C C5 . 18975 1 287 . 1 1 19 19 C C5' C 13 62.504 0.009 3 1 . . . A 19 C C5' . 18975 1 288 . 1 1 19 19 C C6 C 13 140.352 0.025 8 1 . . . A 19 C C6 . 18975 1 stop_ save_