data_15745 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15745 _Entry.Title ; Solution structure of stem-loop alpha; of the hepatitis B virus post-transcriptional regulatory element ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-28 _Entry.Accession_date 2008-04-28 _Entry.Last_release_date 2008-09-25 _Entry.Original_release_date 2008-09-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Oliver Ohlenschlager . . . 15745 2 Matthias Gorlach . . . 15745 3 Martin Schwalbe . . . 15745 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 . 'not applicable' 'not applicable' . 15745 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'hepatitis B virus' . 15745 'NMR solution structure' . 15745 'post-transcriptional regulatory element' . 15745 'stem-loop alpha;,' . 15745 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15745 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 145 15745 '15N chemical shifts' 50 15745 '1H chemical shifts' 195 15745 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 . . 2008-09-25 2008-04-28 original author . 15745 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JYM 'BMRB Entry Tracking System' 15745 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15745 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18263618 _Citation.Full_citation . _Citation.Title ; Solution structure of stem-loop alpha of the hepatitis B virus post-transcriptional regulatory element ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Research' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 5 _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 1681 _Citation.Page_last 1689 _Citation.Year 2008 _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 Martin Schwalbe . . . 15745 1 2 Oliver Ohlenschlager . . . 15745 1 3 Aliaksandr Marchanka . . . 15745 1 4 Ramadurai Ramachandran . . . 15745 1 5 Sabine Hafner . . . 15745 1 6 Tilman Heise . . . 15745 1 7 Matthias Gorlach . . . 15745 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15745 _Assembly.ID 1 _Assembly.Name 'HBV stem-loop alpha;' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (5'-R(*GP*GP*CP*UP*CP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*UP*GP*GP*AP*GP*UP*C)-3')' 1 $RNA A . yes native no no . . . 15745 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA _Entity.Sf_category entity _Entity.Sf_framecode RNA _Entity.Entry_ID 15745 _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 ; GGCUCGCAGCAGGUCUGGAG UC ; _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 22 _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 7105.313 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . GB D00329 . HSLAap . . . . . . . . . . . . . . 15745 1 stop_ 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 . 15745 1 2 . G . 15745 1 3 . C . 15745 1 4 . U . 15745 1 5 . C . 15745 1 6 . G . 15745 1 7 . C . 15745 1 8 . A . 15745 1 9 . G . 15745 1 10 . C . 15745 1 11 . A . 15745 1 12 . G . 15745 1 13 . G . 15745 1 14 . U . 15745 1 15 . C . 15745 1 16 . U . 15745 1 17 . G . 15745 1 18 . G . 15745 1 19 . A . 15745 1 20 . G . 15745 1 21 . U . 15745 1 22 . C . 15745 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 15745 1 . G 2 2 15745 1 . C 3 3 15745 1 . U 4 4 15745 1 . C 5 5 15745 1 . G 6 6 15745 1 . C 7 7 15745 1 . A 8 8 15745 1 . G 9 9 15745 1 . C 10 10 15745 1 . A 11 11 15745 1 . G 12 12 15745 1 . G 13 13 15745 1 . U 14 14 15745 1 . C 15 15 15745 1 . U 16 16 15745 1 . G 17 17 15745 1 . G 18 18 15745 1 . A 19 19 15745 1 . G 20 20 15745 1 . U 21 21 15745 1 . C 22 22 15745 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 15745 _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 . 10407 virus . 'human hepatitis B virus' 'hepatitis B virus' . . Virus . Orthohepadnavirus 'Hepatitis B virus' . . . . . . . . . . . . . . . . . . 'HBV strain D00329' . . 15745 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 15745 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 DH5945; . . . . . . . . . . . . . . pUC19 . . . . . . 15745 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15745 _Sample.ID 1 _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 (5'-R(*GP*GP*CP*UP*CP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*UP*GP*GP*AP*GP*UP*C)-3')' '[U-100% 13C; U-100% 15N]' . . 1 $RNA . . 1 . . mM . . . . 15745 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15745 1 3 'potassium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 15745 1 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 15745 1 5 D2O . . . . . . . 10 . . % . . . . 15745 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15745 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15745 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% 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 (5'-R(*GP*GP*CP*UP*CP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*UP*GP*GP*AP*GP*UP*C)-3')' '[U-100% 13C; U-100% 15N]' . . 1 $RNA . . 1 . . mM . . . . 15745 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15745 2 3 'potassium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 15745 2 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 15745 2 5 D2O . . . . . . . 99 . . % . . . . 15745 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15745 _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' 50 . mM 15745 1 pH 6.2 . pH 15745 1 pressure 1 . atm 15745 1 temperature 283 . K 15745 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 15745 _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' 50 . mM 15745 2 pH 6.2 . pH 15745 2 pressure 1 . atm 15745 2 temperature 293 . K 15745 2 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15745 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15745 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15745 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15745 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15745 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15745 2 'peak picking' 15745 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15745 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15745 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15745 3 processing 15745 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 15745 _Software.ID 4 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 15745 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15745 4 refinement 15745 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15745 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15745 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15745 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15745 1 2 spectrometer_2 Varian INOVA . 750 . . . 15745 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 15745 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15745 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15745 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15745 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15745 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15745 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15745 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 15745 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane 'methylene carbons' . . . . ppm 67.83 external direct 1.0 . . . . . . . . . 15745 1 H 1 water protons . . . . ppm 4.73 external direct 1.0 . . . . . . . . . 15745 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 24.93 external direct 1.0 . . . . . . . . . 15745 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 15745 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '3D HCCH-TOCSY' . . . 15745 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.960 0.02 . 1 . . . . 1 G H1 . 15745 1 2 . 1 1 1 1 G H1' H 1 5.830 0.02 . 1 . . . . 1 G H1' . 15745 1 3 . 1 1 1 1 G H2' H 1 4.830 0.02 . 1 . . . . 1 G H2' . 15745 1 4 . 1 1 1 1 G H3' H 1 4.720 0.02 . 1 . . . . 1 G H3' . 15745 1 5 . 1 1 1 1 G H4' H 1 4.570 0.02 . 1 . . . . 1 G H4' . 15745 1 6 . 1 1 1 1 G H5' H 1 4.450 0.02 . 2 . . . . 1 G H5' . 15745 1 7 . 1 1 1 1 G H5'' H 1 4.290 0.02 . 2 . . . . 1 G H5'' . 15745 1 8 . 1 1 1 1 G H8 H 1 8.190 0.02 . 1 . . . . 1 G H8 . 15745 1 9 . 1 1 1 1 G C1' C 13 90.140 0.30 . 1 . . . . 1 G C1' . 15745 1 10 . 1 1 1 1 G C2' C 13 73.700 0.30 . 1 . . . . 1 G C2' . 15745 1 11 . 1 1 1 1 G C3' C 13 72.910 0.30 . 1 . . . . 1 G C3' . 15745 1 12 . 1 1 1 1 G C4' C 13 81.720 0.30 . 1 . . . . 1 G C4' . 15745 1 13 . 1 1 1 1 G C5' C 13 65.560 0.30 . 1 . . . . 1 G C5' . 15745 1 14 . 1 1 1 1 G C8 C 13 137.570 0.30 . 1 . . . . 1 G C8 . 15745 1 15 . 1 1 1 1 G N1 N 15 149.790 0.30 . 1 . . . . 1 G N1 . 15745 1 16 . 1 1 1 1 G N9 N 15 170.360 0.30 . 1 . . . . 1 G N9 . 15745 1 17 . 1 1 2 2 G H1 H 1 11.720 0.02 . 1 . . . . 2 G H1 . 15745 1 18 . 1 1 2 2 G H1' H 1 5.930 0.02 . 1 . . . . 2 G H1' . 15745 1 19 . 1 1 2 2 G H2' H 1 4.750 0.02 . 1 . . . . 2 G H2' . 15745 1 20 . 1 1 2 2 G H3' H 1 4.460 0.02 . 1 . . . . 2 G H3' . 15745 1 21 . 1 1 2 2 G H4' H 1 4.550 0.02 . 1 . . . . 2 G H4' . 15745 1 22 . 1 1 2 2 G H5' H 1 4.510 0.02 . 2 . . . . 2 G H5' . 15745 1 23 . 1 1 2 2 G H5'' H 1 4.270 0.02 . 2 . . . . 2 G H5'' . 15745 1 24 . 1 1 2 2 G H8 H 1 7.590 0.02 . 1 . . . . 2 G H8 . 15745 1 25 . 1 1 2 2 G H21 H 1 6.280 0.02 . 2 . . . . 2 G H21 . 15745 1 26 . 1 1 2 2 G H22 H 1 6.280 0.02 . 2 . . . . 2 G H22 . 15745 1 27 . 1 1 2 2 G C1' C 13 91.640 0.30 . 1 . . . . 2 G C1' . 15745 1 28 . 1 1 2 2 G C2' C 13 73.630 0.30 . 1 . . . . 2 G C2' . 15745 1 29 . 1 1 2 2 G C3' C 13 71.280 0.30 . 1 . . . . 2 G C3' . 15745 1 30 . 1 1 2 2 G C4' C 13 80.880 0.30 . 1 . . . . 2 G C4' . 15745 1 31 . 1 1 2 2 G C5' C 13 64.430 0.30 . 1 . . . . 2 G C5' . 15745 1 32 . 1 1 2 2 G C8 C 13 135.700 0.30 . 1 . . . . 2 G C8 . 15745 1 33 . 1 1 2 2 G N1 N 15 147.220 0.30 . 1 . . . . 2 G N1 . 15745 1 34 . 1 1 2 2 G N2 N 15 74.540 0.30 . 1 . . . . 2 G N2 . 15745 1 35 . 1 1 2 2 G N9 N 15 171.740 0.30 . 1 . . . . 2 G N9 . 15745 1 36 . 1 1 3 3 C H1' H 1 5.540 0.02 . 1 . . . . 3 C H1' . 15745 1 37 . 1 1 3 3 C H2' H 1 4.320 0.02 . 1 . . . . 3 C H2' . 15745 1 38 . 1 1 3 3 C H3' H 1 4.500 0.02 . 1 . . . . 3 C H3' . 15745 1 39 . 1 1 3 3 C H4' H 1 4.440 0.02 . 1 . . . . 3 C H4' . 15745 1 40 . 1 1 3 3 C H5 H 1 5.470 0.02 . 1 . . . . 3 C H5 . 15745 1 41 . 1 1 3 3 C H5' H 1 4.550 0.02 . 2 . . . . 3 C H5' . 15745 1 42 . 1 1 3 3 C H5'' H 1 4.110 0.02 . 2 . . . . 3 C H5'' . 15745 1 43 . 1 1 3 3 C H6 H 1 7.760 0.02 . 1 . . . . 3 C H6 . 15745 1 44 . 1 1 3 3 C H41 H 1 8.370 0.02 . 2 . . . . 3 C H41 . 15745 1 45 . 1 1 3 3 C H42 H 1 7.020 0.02 . 2 . . . . 3 C H42 . 15745 1 46 . 1 1 3 3 C C1' C 13 92.360 0.30 . 1 . . . . 3 C C1' . 15745 1 47 . 1 1 3 3 C C2' C 13 73.950 0.30 . 1 . . . . 3 C C2' . 15745 1 48 . 1 1 3 3 C C3' C 13 70.320 0.30 . 1 . . . . 3 C C3' . 15745 1 49 . 1 1 3 3 C C4' C 13 80.340 0.30 . 1 . . . . 3 C C4' . 15745 1 50 . 1 1 3 3 C C5 C 13 95.800 0.30 . 1 . . . . 3 C C5 . 15745 1 51 . 1 1 3 3 C C5' C 13 62.460 0.30 . 1 . . . . 3 C C5' . 15745 1 52 . 1 1 3 3 C C6 C 13 139.080 0.30 . 1 . . . . 3 C C6 . 15745 1 53 . 1 1 3 3 C N1 N 15 153.080 0.30 . 1 . . . . 3 C N1 . 15745 1 54 . 1 1 3 3 C N3 N 15 198.720 0.30 . 1 . . . . 3 C N3 . 15745 1 55 . 1 1 3 3 C N4 N 15 100.910 0.30 . 1 . . . . 3 C N4 . 15745 1 56 . 1 1 4 4 U H1' H 1 5.540 0.02 . 1 . . . . 4 U H1' . 15745 1 57 . 1 1 4 4 U H2' H 1 4.390 0.02 . 1 . . . . 4 U H2' . 15745 1 58 . 1 1 4 4 U H3 H 1 14.250 0.02 . 1 . . . . 4 U H3 . 15745 1 59 . 1 1 4 4 U H3' H 1 4.510 0.02 . 1 . . . . 4 U H3' . 15745 1 60 . 1 1 4 4 U H4' H 1 4.410 0.02 . 1 . . . . 4 U H4' . 15745 1 61 . 1 1 4 4 U H5 H 1 5.420 0.02 . 1 . . . . 4 U H5 . 15745 1 62 . 1 1 4 4 U H5' H 1 4.550 0.02 . 2 . . . . 4 U H5' . 15745 1 63 . 1 1 4 4 U H5'' H 1 4.090 0.02 . 2 . . . . 4 U H5'' . 15745 1 64 . 1 1 4 4 U H6 H 1 7.880 0.02 . 1 . . . . 4 U H6 . 15745 1 65 . 1 1 4 4 U C1' C 13 92.680 0.30 . 1 . . . . 4 U C1' . 15745 1 66 . 1 1 4 4 U C2' C 13 73.560 0.30 . 1 . . . . 4 U C2' . 15745 1 67 . 1 1 4 4 U C3' C 13 70.520 0.30 . 1 . . . . 4 U C3' . 15745 1 68 . 1 1 4 4 U C4' C 13 80.600 0.30 . 1 . . . . 4 U C4' . 15745 1 69 . 1 1 4 4 U C5 C 13 101.830 0.30 . 1 . . . . 4 U C5 . 15745 1 70 . 1 1 4 4 U C5' C 13 62.780 0.30 . 1 . . . . 4 U C5' . 15745 1 71 . 1 1 4 4 U C6 C 13 140.490 0.30 . 1 . . . . 4 U C6 . 15745 1 72 . 1 1 4 4 U N1 N 15 147.810 0.30 . 1 . . . . 4 U N1 . 15745 1 73 . 1 1 4 4 U N3 N 15 164.330 0.30 . 1 . . . . 4 U N3 . 15745 1 74 . 1 1 5 5 C H1' H 1 5.790 0.02 . 1 . . . . 5 C H1' . 15745 1 75 . 1 1 5 5 C H2' H 1 4.210 0.02 . 1 . . . . 5 C H2' . 15745 1 76 . 1 1 5 5 C H3' H 1 4.640 0.02 . 1 . . . . 5 C H3' . 15745 1 77 . 1 1 5 5 C H4' H 1 4.390 0.02 . 1 . . . . 5 C H4' . 15745 1 78 . 1 1 5 5 C H5 H 1 5.680 0.02 . 1 . . . . 5 C H5 . 15745 1 79 . 1 1 5 5 C H5' H 1 4.540 0.02 . 2 . . . . 5 C H5' . 15745 1 80 . 1 1 5 5 C H5'' H 1 4.160 0.02 . 2 . . . . 5 C H5'' . 15745 1 81 . 1 1 5 5 C H6 H 1 7.770 0.02 . 1 . . . . 5 C H6 . 15745 1 82 . 1 1 5 5 C H41 H 1 8.470 0.02 . 2 . . . . 5 C H41 . 15745 1 83 . 1 1 5 5 C H42 H 1 6.930 0.02 . 2 . . . . 5 C H42 . 15745 1 84 . 1 1 5 5 C C1' C 13 91.060 0.30 . 1 . . . . 5 C C1' . 15745 1 85 . 1 1 5 5 C C2' C 13 75.070 0.30 . 1 . . . . 5 C C2' . 15745 1 86 . 1 1 5 5 C C3' C 13 72.430 0.30 . 1 . . . . 5 C C3' . 15745 1 87 . 1 1 5 5 C C4' C 13 81.350 0.30 . 1 . . . . 5 C C4' . 15745 1 88 . 1 1 5 5 C C5 C 13 96.550 0.30 . 1 . . . . 5 C C5 . 15745 1 89 . 1 1 5 5 C C5' C 13 63.710 0.30 . 1 . . . . 5 C C5' . 15745 1 90 . 1 1 5 5 C C6 C 13 140.500 0.30 . 1 . . . . 5 C C6 . 15745 1 91 . 1 1 5 5 C N1 N 15 152.290 0.30 . 1 . . . . 5 C N1 . 15745 1 92 . 1 1 5 5 C N3 N 15 198.380 0.30 . 1 . . . . 5 C N3 . 15745 1 93 . 1 1 5 5 C N4 N 15 99.910 0.30 . 1 . . . . 5 C N4 . 15745 1 94 . 1 1 6 6 G H1' H 1 5.830 0.02 . 1 . . . . 6 G H1' . 15745 1 95 . 1 1 6 6 G H2' H 1 4.640 0.02 . 1 . . . . 6 G H2' . 15745 1 96 . 1 1 6 6 G H3' H 1 4.850 0.02 . 1 . . . . 6 G H3' . 15745 1 97 . 1 1 6 6 G H4' H 1 4.480 0.02 . 1 . . . . 6 G H4' . 15745 1 98 . 1 1 6 6 G H5' H 1 4.280 0.02 . 2 . . . . 6 G H5' . 15745 1 99 . 1 1 6 6 G H5'' H 1 4.140 0.02 . 2 . . . . 6 G H5'' . 15745 1 100 . 1 1 6 6 G H8 H 1 7.940 0.02 . 1 . . . . 6 G H8 . 15745 1 101 . 1 1 6 6 G C1' C 13 88.400 0.30 . 1 . . . . 6 G C1' . 15745 1 102 . 1 1 6 6 G C2' C 13 73.770 0.30 . 1 . . . . 6 G C2' . 15745 1 103 . 1 1 6 6 G C3' C 13 74.330 0.30 . 1 . . . . 6 G C3' . 15745 1 104 . 1 1 6 6 G C4' C 13 83.120 0.30 . 1 . . . . 6 G C4' . 15745 1 105 . 1 1 6 6 G C5' C 13 65.210 0.30 . 1 . . . . 6 G C5' . 15745 1 106 . 1 1 6 6 G C8 C 13 138.100 0.30 . 1 . . . . 6 G C8 . 15745 1 107 . 1 1 6 6 G N9 N 15 169.170 0.30 . 1 . . . . 6 G N9 . 15745 1 108 . 1 1 7 7 C H1' H 1 5.560 0.02 . 1 . . . . 7 C H1' . 15745 1 109 . 1 1 7 7 C H2' H 1 4.670 0.02 . 1 . . . . 7 C H2' . 15745 1 110 . 1 1 7 7 C H3' H 1 4.550 0.02 . 1 . . . . 7 C H3' . 15745 1 111 . 1 1 7 7 C H4' H 1 4.510 0.02 . 1 . . . . 7 C H4' . 15745 1 112 . 1 1 7 7 C H5 H 1 5.530 0.02 . 1 . . . . 7 C H5 . 15745 1 113 . 1 1 7 7 C H5' H 1 4.350 0.02 . 2 . . . . 7 C H5' . 15745 1 114 . 1 1 7 7 C H5'' H 1 4.180 0.02 . 2 . . . . 7 C H5'' . 15745 1 115 . 1 1 7 7 C H6 H 1 7.660 0.02 . 1 . . . . 7 C H6 . 15745 1 116 . 1 1 7 7 C H41 H 1 8.040 0.02 . 2 . . . . 7 C H41 . 15745 1 117 . 1 1 7 7 C H42 H 1 6.770 0.02 . 2 . . . . 7 C H42 . 15745 1 118 . 1 1 7 7 C C1' C 13 91.950 0.30 . 1 . . . . 7 C C1' . 15745 1 119 . 1 1 7 7 C C2' C 13 73.790 0.30 . 1 . . . . 7 C C2' . 15745 1 120 . 1 1 7 7 C C3' C 13 73.310 0.30 . 1 . . . . 7 C C3' . 15745 1 121 . 1 1 7 7 C C4' C 13 81.760 0.30 . 1 . . . . 7 C C4' . 15745 1 122 . 1 1 7 7 C C5 C 13 96.840 0.30 . 1 . . . . 7 C C5 . 15745 1 123 . 1 1 7 7 C C5' C 13 66.050 0.30 . 1 . . . . 7 C C5' . 15745 1 124 . 1 1 7 7 C C6 C 13 140.870 0.30 . 1 . . . . 7 C C6 . 15745 1 125 . 1 1 7 7 C N1 N 15 150.680 0.30 . 1 . . . . 7 C N1 . 15745 1 126 . 1 1 7 7 C N4 N 15 97.120 0.30 . 1 . . . . 7 C N4 . 15745 1 127 . 1 1 8 8 A H1' H 1 5.890 0.02 . 1 . . . . 8 A H1' . 15745 1 128 . 1 1 8 8 A H2 H 1 7.080 0.02 . 1 . . . . 8 A H2 . 15745 1 129 . 1 1 8 8 A H2' H 1 4.660 0.02 . 1 . . . . 8 A H2' . 15745 1 130 . 1 1 8 8 A H3' H 1 4.680 0.02 . 1 . . . . 8 A H3' . 15745 1 131 . 1 1 8 8 A H4' H 1 4.530 0.02 . 1 . . . . 8 A H4' . 15745 1 132 . 1 1 8 8 A H5' H 1 4.490 0.02 . 2 . . . . 8 A H5' . 15745 1 133 . 1 1 8 8 A H5'' H 1 4.250 0.02 . 2 . . . . 8 A H5'' . 15745 1 134 . 1 1 8 8 A H8 H 1 8.090 0.02 . 1 . . . . 8 A H8 . 15745 1 135 . 1 1 8 8 A H61 H 1 7.270 0.02 . 2 . . . . 8 A H61 . 15745 1 136 . 1 1 8 8 A H62 H 1 6.920 0.02 . 2 . . . . 8 A H62 . 15745 1 137 . 1 1 8 8 A C1' C 13 91.440 0.30 . 1 . . . . 8 A C1' . 15745 1 138 . 1 1 8 8 A C2 C 13 150.920 0.30 . 1 . . . . 8 A C2 . 15745 1 139 . 1 1 8 8 A C2' C 13 73.760 0.30 . 1 . . . . 8 A C2' . 15745 1 140 . 1 1 8 8 A C3' C 13 71.590 0.30 . 1 . . . . 8 A C3' . 15745 1 141 . 1 1 8 8 A C4' C 13 80.960 0.30 . 1 . . . . 8 A C4' . 15745 1 142 . 1 1 8 8 A C5' C 13 64.550 0.30 . 1 . . . . 8 A C5' . 15745 1 143 . 1 1 8 8 A C8 C 13 138.650 0.30 . 1 . . . . 8 A C8 . 15745 1 144 . 1 1 8 8 A N1 N 15 221.440 0.30 . 1 . . . . 8 A N1 . 15745 1 145 . 1 1 8 8 A N6 N 15 83.050 0.30 . 1 . . . . 8 A N6 . 15745 1 146 . 1 1 8 8 A N9 N 15 171.130 0.30 . 1 . . . . 8 A N9 . 15745 1 147 . 1 1 9 9 G H1 H 1 13.220 0.02 . 1 . . . . 9 G H1 . 15745 1 148 . 1 1 9 9 G H1' H 1 5.630 0.02 . 1 . . . . 9 G H1' . 15745 1 149 . 1 1 9 9 G H2' H 1 4.160 0.02 . 1 . . . . 9 G H2' . 15745 1 150 . 1 1 9 9 G H3' H 1 4.520 0.02 . 1 . . . . 9 G H3' . 15745 1 151 . 1 1 9 9 G H4' H 1 4.380 0.02 . 1 . . . . 9 G H4' . 15745 1 152 . 1 1 9 9 G H5' H 1 4.550 0.02 . 2 . . . . 9 G H5' . 15745 1 153 . 1 1 9 9 G H5'' H 1 4.090 0.02 . 2 . . . . 9 G H5'' . 15745 1 154 . 1 1 9 9 G H8 H 1 7.350 0.02 . 1 . . . . 9 G H8 . 15745 1 155 . 1 1 9 9 G C1' C 13 91.170 0.30 . 1 . . . . 9 G C1' . 15745 1 156 . 1 1 9 9 G C2' C 13 73.840 0.30 . 1 . . . . 9 G C2' . 15745 1 157 . 1 1 9 9 G C3' C 13 71.080 0.30 . 1 . . . . 9 G C3' . 15745 1 158 . 1 1 9 9 G C4' C 13 80.530 0.30 . 1 . . . . 9 G C4' . 15745 1 159 . 1 1 9 9 G C5' C 13 63.370 0.30 . 1 . . . . 9 G C5' . 15745 1 160 . 1 1 9 9 G C8 C 13 134.520 0.30 . 1 . . . . 9 G C8 . 15745 1 161 . 1 1 9 9 G N1 N 15 149.340 0.30 . 1 . . . . 9 G N1 . 15745 1 162 . 1 1 9 9 G N9 N 15 170.900 0.30 . 1 . . . . 9 G N9 . 15745 1 163 . 1 1 10 10 C H1' H 1 5.570 0.02 . 1 . . . . 10 C H1' . 15745 1 164 . 1 1 10 10 C H2' H 1 4.390 0.02 . 1 . . . . 10 C H2' . 15745 1 165 . 1 1 10 10 C H3' H 1 4.620 0.02 . 1 . . . . 10 C H3' . 15745 1 166 . 1 1 10 10 C H4' H 1 4.470 0.02 . 1 . . . . 10 C H4' . 15745 1 167 . 1 1 10 10 C H5 H 1 5.130 0.02 . 1 . . . . 10 C H5 . 15745 1 168 . 1 1 10 10 C H5' H 1 4.380 0.02 . 2 . . . . 10 C H5' . 15745 1 169 . 1 1 10 10 C H5'' H 1 4.040 0.02 . 2 . . . . 10 C H5'' . 15745 1 170 . 1 1 10 10 C H6 H 1 7.350 0.02 . 1 . . . . 10 C H6 . 15745 1 171 . 1 1 10 10 C H41 H 1 8.050 0.02 . 2 . . . . 10 C H41 . 15745 1 172 . 1 1 10 10 C H42 H 1 6.730 0.02 . 2 . . . . 10 C H42 . 15745 1 173 . 1 1 10 10 C C1' C 13 89.940 0.30 . 1 . . . . 10 C C1' . 15745 1 174 . 1 1 10 10 C C2' C 13 73.890 0.30 . 1 . . . . 10 C C2' . 15745 1 175 . 1 1 10 10 C C3' C 13 76.380 0.30 . 1 . . . . 10 C C3' . 15745 1 176 . 1 1 10 10 C C4' C 13 82.740 0.30 . 1 . . . . 10 C C4' . 15745 1 177 . 1 1 10 10 C C5 C 13 96.530 0.30 . 1 . . . . 10 C C5 . 15745 1 178 . 1 1 10 10 C C5' C 13 65.150 0.30 . 1 . . . . 10 C C5' . 15745 1 179 . 1 1 10 10 C C6 C 13 139.920 0.30 . 1 . . . . 10 C C6 . 15745 1 180 . 1 1 10 10 C N1 N 15 149.110 0.30 . 1 . . . . 10 C N1 . 15745 1 181 . 1 1 10 10 C N3 N 15 195.900 0.30 . 1 . . . . 10 C N3 . 15745 1 182 . 1 1 10 10 C N4 N 15 100.380 0.30 . 1 . . . . 10 C N4 . 15745 1 183 . 1 1 11 11 A H1' H 1 6.140 0.02 . 1 . . . . 11 A H1' . 15745 1 184 . 1 1 11 11 A H2 H 1 7.970 0.02 . 1 . . . . 11 A H2 . 15745 1 185 . 1 1 11 11 A H2' H 1 4.750 0.02 . 1 . . . . 11 A H2' . 15745 1 186 . 1 1 11 11 A H3' H 1 4.630 0.02 . 1 . . . . 11 A H3' . 15745 1 187 . 1 1 11 11 A H4' H 1 4.540 0.02 . 1 . . . . 11 A H4' . 15745 1 188 . 1 1 11 11 A H5' H 1 4.320 0.02 . 2 . . . . 11 A H5' . 15745 1 189 . 1 1 11 11 A H5'' H 1 4.110 0.02 . 2 . . . . 11 A H5'' . 15745 1 190 . 1 1 11 11 A H8 H 1 8.420 0.02 . 1 . . . . 11 A H8 . 15745 1 191 . 1 1 11 11 A C1' C 13 87.730 0.30 . 1 . . . . 11 A C1' . 15745 1 192 . 1 1 11 11 A C2 C 13 153.650 0.30 . 1 . . . . 11 A C2 . 15745 1 193 . 1 1 11 11 A C2' C 13 75.910 0.30 . 1 . . . . 11 A C2' . 15745 1 194 . 1 1 11 11 A C3' C 13 77.630 0.30 . 1 . . . . 11 A C3' . 15745 1 195 . 1 1 11 11 A C4' C 13 84.870 0.30 . 1 . . . . 11 A C4' . 15745 1 196 . 1 1 11 11 A C5' C 13 66.210 0.30 . 1 . . . . 11 A C5' . 15745 1 197 . 1 1 11 11 A C8 C 13 140.280 0.30 . 1 . . . . 11 A C8 . 15745 1 198 . 1 1 11 11 A N9 N 15 168.970 0.30 . 1 . . . . 11 A N9 . 15745 1 199 . 1 1 12 12 G H1' H 1 5.450 0.02 . 1 . . . . 12 G H1' . 15745 1 200 . 1 1 12 12 G H2' H 1 4.340 0.02 . 1 . . . . 12 G H2' . 15745 1 201 . 1 1 12 12 G H3' H 1 4.650 0.02 . 1 . . . . 12 G H3' . 15745 1 202 . 1 1 12 12 G H4' H 1 4.000 0.02 . 1 . . . . 12 G H4' . 15745 1 203 . 1 1 12 12 G H5' H 1 4.210 0.02 . 2 . . . . 12 G H5' . 15745 1 204 . 1 1 12 12 G H5'' H 1 4.000 0.02 . 2 . . . . 12 G H5'' . 15745 1 205 . 1 1 12 12 G H8 H 1 7.940 0.02 . 1 . . . . 12 G H8 . 15745 1 206 . 1 1 12 12 G C1' C 13 87.190 0.30 . 1 . . . . 12 G C1' . 15745 1 207 . 1 1 12 12 G C2' C 13 76.240 0.30 . 1 . . . . 12 G C2' . 15745 1 208 . 1 1 12 12 G C3' C 13 77.650 0.30 . 1 . . . . 12 G C3' . 15745 1 209 . 1 1 12 12 G C4' C 13 84.370 0.30 . 1 . . . . 12 G C4' . 15745 1 210 . 1 1 12 12 G C5' C 13 66.540 0.30 . 1 . . . . 12 G C5' . 15745 1 211 . 1 1 12 12 G C8 C 13 138.240 0.30 . 1 . . . . 12 G C8 . 15745 1 212 . 1 1 12 12 G N9 N 15 170.030 0.30 . 1 . . . . 12 G N9 . 15745 1 213 . 1 1 13 13 G H1 H 1 12.750 0.02 . 1 . . . . 13 G H1 . 15745 1 214 . 1 1 13 13 G H1' H 1 5.870 0.02 . 1 . . . . 13 G H1' . 15745 1 215 . 1 1 13 13 G H2' H 1 5.050 0.02 . 1 . . . . 13 G H2' . 15745 1 216 . 1 1 13 13 G H3' H 1 5.020 0.02 . 1 . . . . 13 G H3' . 15745 1 217 . 1 1 13 13 G H4' H 1 4.410 0.02 . 1 . . . . 13 G H4' . 15745 1 218 . 1 1 13 13 G H5' H 1 4.190 0.02 . 2 . . . . 13 G H5' . 15745 1 219 . 1 1 13 13 G H5'' H 1 3.970 0.02 . 2 . . . . 13 G H5'' . 15745 1 220 . 1 1 13 13 G H8 H 1 7.800 0.02 . 1 . . . . 13 G H8 . 15745 1 221 . 1 1 13 13 G C1' C 13 88.290 0.30 . 1 . . . . 13 G C1' . 15745 1 222 . 1 1 13 13 G C2' C 13 72.990 0.30 . 1 . . . . 13 G C2' . 15745 1 223 . 1 1 13 13 G C3' C 13 75.580 0.30 . 1 . . . . 13 G C3' . 15745 1 224 . 1 1 13 13 G C4' C 13 83.170 0.30 . 1 . . . . 13 G C4' . 15745 1 225 . 1 1 13 13 G C5' C 13 65.750 0.30 . 1 . . . . 13 G C5' . 15745 1 226 . 1 1 13 13 G C8 C 13 137.740 0.30 . 1 . . . . 13 G C8 . 15745 1 227 . 1 1 13 13 G N1 N 15 149.990 0.30 . 1 . . . . 13 G N1 . 15745 1 228 . 1 1 13 13 G N9 N 15 170.140 0.30 . 1 . . . . 13 G N9 . 15745 1 229 . 1 1 14 14 U H1' H 1 6.070 0.02 . 1 . . . . 14 U H1' . 15745 1 230 . 1 1 14 14 U H2' H 1 4.560 0.02 . 1 . . . . 14 U H2' . 15745 1 231 . 1 1 14 14 U H3' H 1 4.780 0.02 . 1 . . . . 14 U H3' . 15745 1 232 . 1 1 14 14 U H4' H 1 4.530 0.02 . 1 . . . . 14 U H4' . 15745 1 233 . 1 1 14 14 U H5 H 1 5.930 0.02 . 1 . . . . 14 U H5 . 15745 1 234 . 1 1 14 14 U H5' H 1 4.280 0.02 . 2 . . . . 14 U H5' . 15745 1 235 . 1 1 14 14 U H5'' H 1 4.240 0.02 . 2 . . . . 14 U H5'' . 15745 1 236 . 1 1 14 14 U H6 H 1 7.890 0.02 . 1 . . . . 14 U H6 . 15745 1 237 . 1 1 14 14 U C1' C 13 89.450 0.30 . 1 . . . . 14 U C1' . 15745 1 238 . 1 1 14 14 U C2' C 13 73.780 0.30 . 1 . . . . 14 U C2' . 15745 1 239 . 1 1 14 14 U C3' C 13 75.300 0.30 . 1 . . . . 14 U C3' . 15745 1 240 . 1 1 14 14 U C4' C 13 84.240 0.30 . 1 . . . . 14 U C4' . 15745 1 241 . 1 1 14 14 U C5 C 13 103.860 0.30 . 1 . . . . 14 U C5 . 15745 1 242 . 1 1 14 14 U C5' C 13 66.720 0.30 . 1 . . . . 14 U C5' . 15745 1 243 . 1 1 14 14 U C6 C 13 142.960 0.30 . 1 . . . . 14 U C6 . 15745 1 244 . 1 1 14 14 U N1 N 15 145.800 0.30 . 1 . . . . 14 U N1 . 15745 1 245 . 1 1 15 15 C H1' H 1 5.360 0.02 . 1 . . . . 15 C H1' . 15745 1 246 . 1 1 15 15 C H2' H 1 4.480 0.02 . 1 . . . . 15 C H2' . 15745 1 247 . 1 1 15 15 C H3' H 1 4.400 0.02 . 1 . . . . 15 C H3' . 15745 1 248 . 1 1 15 15 C H4' H 1 4.520 0.02 . 1 . . . . 15 C H4' . 15745 1 249 . 1 1 15 15 C H5 H 1 5.420 0.02 . 1 . . . . 15 C H5 . 15745 1 250 . 1 1 15 15 C H5' H 1 4.460 0.02 . 2 . . . . 15 C H5' . 15745 1 251 . 1 1 15 15 C H5'' H 1 4.180 0.02 . 2 . . . . 15 C H5'' . 15745 1 252 . 1 1 15 15 C H6 H 1 7.510 0.02 . 1 . . . . 15 C H6 . 15745 1 253 . 1 1 15 15 C H41 H 1 8.430 0.02 . 2 . . . . 15 C H41 . 15745 1 254 . 1 1 15 15 C H42 H 1 6.600 0.02 . 2 . . . . 15 C H42 . 15745 1 255 . 1 1 15 15 C C1' C 13 92.090 0.30 . 1 . . . . 15 C C1' . 15745 1 256 . 1 1 15 15 C C2' C 13 73.160 0.30 . 1 . . . . 15 C C2' . 15745 1 257 . 1 1 15 15 C C3' C 13 72.130 0.30 . 1 . . . . 15 C C3' . 15745 1 258 . 1 1 15 15 C C4' C 13 81.540 0.30 . 1 . . . . 15 C C4' . 15745 1 259 . 1 1 15 15 C C5 C 13 96.320 0.30 . 1 . . . . 15 C C5 . 15745 1 260 . 1 1 15 15 C C5' C 13 64.880 0.30 . 1 . . . . 15 C C5' . 15745 1 261 . 1 1 15 15 C C6 C 13 139.920 0.30 . 1 . . . . 15 C C6 . 15745 1 262 . 1 1 15 15 C N1 N 15 150.980 0.30 . 1 . . . . 15 C N1 . 15745 1 263 . 1 1 15 15 C N3 N 15 199.100 0.30 . 1 . . . . 15 C N3 . 15745 1 264 . 1 1 15 15 C N4 N 15 97.630 0.30 . 1 . . . . 15 C N4 . 15745 1 265 . 1 1 16 16 U H1' H 1 5.560 0.02 . 1 . . . . 16 U H1' . 15745 1 266 . 1 1 16 16 U H2' H 1 4.670 0.02 . 1 . . . . 16 U H2' . 15745 1 267 . 1 1 16 16 U H3 H 1 13.610 0.02 . 1 . . . . 16 U H3 . 15745 1 268 . 1 1 16 16 U H3' H 1 4.570 0.02 . 1 . . . . 16 U H3' . 15745 1 269 . 1 1 16 16 U H4' H 1 4.470 0.02 . 1 . . . . 16 U H4' . 15745 1 270 . 1 1 16 16 U H5 H 1 5.400 0.02 . 1 . . . . 16 U H5 . 15745 1 271 . 1 1 16 16 U H5' H 1 4.550 0.02 . 2 . . . . 16 U H5' . 15745 1 272 . 1 1 16 16 U H5'' H 1 4.200 0.02 . 2 . . . . 16 U H5'' . 15745 1 273 . 1 1 16 16 U H6 H 1 7.920 0.02 . 1 . . . . 16 U H6 . 15745 1 274 . 1 1 16 16 U C1' C 13 92.000 0.30 . 1 . . . . 16 U C1' . 15745 1 275 . 1 1 16 16 U C2' C 13 73.730 0.30 . 1 . . . . 16 U C2' . 15745 1 276 . 1 1 16 16 U C3' C 13 70.880 0.30 . 1 . . . . 16 U C3' . 15745 1 277 . 1 1 16 16 U C4' C 13 80.600 0.30 . 1 . . . . 16 U C4' . 15745 1 278 . 1 1 16 16 U C5 C 13 101.830 0.30 . 1 . . . . 16 U C5 . 15745 1 279 . 1 1 16 16 U C5' C 13 63.330 0.30 . 1 . . . . 16 U C5' . 15745 1 280 . 1 1 16 16 U C6 C 13 140.440 0.30 . 1 . . . . 16 U C6 . 15745 1 281 . 1 1 16 16 U N1 N 15 147.750 0.30 . 1 . . . . 16 U N1 . 15745 1 282 . 1 1 16 16 U N3 N 15 163.350 0.30 . 1 . . . . 16 U N3 . 15745 1 283 . 1 1 17 17 G H1 H 1 12.130 0.02 . 1 . . . . 17 G H1 . 15745 1 284 . 1 1 17 17 G H1' H 1 5.710 0.02 . 1 . . . . 17 G H1' . 15745 1 285 . 1 1 17 17 G H2' H 1 4.490 0.02 . 1 . . . . 17 G H2' . 15745 1 286 . 1 1 17 17 G H3' H 1 4.500 0.02 . 1 . . . . 17 G H3' . 15745 1 287 . 1 1 17 17 G H4' H 1 4.480 0.02 . 1 . . . . 17 G H4' . 15745 1 288 . 1 1 17 17 G H5' H 1 4.460 0.02 . 2 . . . . 17 G H5' . 15745 1 289 . 1 1 17 17 G H5'' H 1 4.130 0.02 . 2 . . . . 17 G H5'' . 15745 1 290 . 1 1 17 17 G H8 H 1 7.580 0.02 . 1 . . . . 17 G H8 . 15745 1 291 . 1 1 17 17 G C1' C 13 91.060 0.30 . 1 . . . . 17 G C1' . 15745 1 292 . 1 1 17 17 G C2' C 13 73.970 0.30 . 1 . . . . 17 G C2' . 15745 1 293 . 1 1 17 17 G C3' C 13 71.520 0.30 . 1 . . . . 17 G C3' . 15745 1 294 . 1 1 17 17 G C4' C 13 80.590 0.30 . 1 . . . . 17 G C4' . 15745 1 295 . 1 1 17 17 G C5' C 13 64.450 0.30 . 1 . . . . 17 G C5' . 15745 1 296 . 1 1 17 17 G C8 C 13 134.620 0.30 . 1 . . . . 17 G C8 . 15745 1 297 . 1 1 17 17 G N1 N 15 148.240 0.30 . 1 . . . . 17 G N1 . 15745 1 298 . 1 1 17 17 G N9 N 15 170.970 0.30 . 1 . . . . 17 G N9 . 15745 1 299 . 1 1 18 18 G H1 H 1 12.210 0.02 . 1 . . . . 18 G H1 . 15745 1 300 . 1 1 18 18 G H1' H 1 5.530 0.02 . 1 . . . . 18 G H1' . 15745 1 301 . 1 1 18 18 G H2' H 1 4.540 0.02 . 1 . . . . 18 G H2' . 15745 1 302 . 1 1 18 18 G H3' H 1 4.550 0.02 . 1 . . . . 18 G H3' . 15745 1 303 . 1 1 18 18 G H4' H 1 4.400 0.02 . 1 . . . . 18 G H4' . 15745 1 304 . 1 1 18 18 G H5' H 1 4.430 0.02 . 2 . . . . 18 G H5' . 15745 1 305 . 1 1 18 18 G H5'' H 1 4.080 0.02 . 2 . . . . 18 G H5'' . 15745 1 306 . 1 1 18 18 G H8 H 1 7.310 0.02 . 1 . . . . 18 G H8 . 15745 1 307 . 1 1 18 18 G C1' C 13 90.950 0.30 . 1 . . . . 18 G C1' . 15745 1 308 . 1 1 18 18 G C2' C 13 73.440 0.30 . 1 . . . . 18 G C2' . 15745 1 309 . 1 1 18 18 G C3' C 13 71.310 0.30 . 1 . . . . 18 G C3' . 15745 1 310 . 1 1 18 18 G C4' C 13 80.730 0.30 . 1 . . . . 18 G C4' . 15745 1 311 . 1 1 18 18 G C5' C 13 63.460 0.30 . 1 . . . . 18 G C5' . 15745 1 312 . 1 1 18 18 G C8 C 13 135.000 0.30 . 1 . . . . 18 G C8 . 15745 1 313 . 1 1 18 18 G N1 N 15 148.020 0.30 . 1 . . . . 18 G N1 . 15745 1 314 . 1 1 18 18 G N2 N 15 76.080 0.30 . 1 . . . . 18 G N2 . 15745 1 315 . 1 1 18 18 G N9 N 15 170.480 0.30 . 1 . . . . 18 G N9 . 15745 1 316 . 1 1 19 19 A H1' H 1 5.920 0.02 . 1 . . . . 19 A H1' . 15745 1 317 . 1 1 19 19 A H2 H 1 7.540 0.02 . 1 . . . . 19 A H2 . 15745 1 318 . 1 1 19 19 A H2' H 1 4.690 0.02 . 1 . . . . 19 A H2' . 15745 1 319 . 1 1 19 19 A H3' H 1 4.660 0.02 . 1 . . . . 19 A H3' . 15745 1 320 . 1 1 19 19 A H4' H 1 4.460 0.02 . 1 . . . . 19 A H4' . 15745 1 321 . 1 1 19 19 A H5' H 1 4.560 0.02 . 2 . . . . 19 A H5' . 15745 1 322 . 1 1 19 19 A H5'' H 1 4.140 0.02 . 2 . . . . 19 A H5'' . 15745 1 323 . 1 1 19 19 A H8 H 1 7.900 0.02 . 1 . . . . 19 A H8 . 15745 1 324 . 1 1 19 19 A H61 H 1 7.710 0.02 . 2 . . . . 19 A H61 . 15745 1 325 . 1 1 19 19 A H62 H 1 7.380 0.02 . 2 . . . . 19 A H62 . 15745 1 326 . 1 1 19 19 A C1' C 13 91.040 0.30 . 1 . . . . 19 A C1' . 15745 1 327 . 1 1 19 19 A C2 C 13 151.790 0.30 . 1 . . . . 19 A C2 . 15745 1 328 . 1 1 19 19 A C2' C 13 73.950 0.30 . 1 . . . . 19 A C2' . 15745 1 329 . 1 1 19 19 A C3' C 13 70.980 0.30 . 1 . . . . 19 A C3' . 15745 1 330 . 1 1 19 19 A C4' C 13 80.330 0.30 . 1 . . . . 19 A C4' . 15745 1 331 . 1 1 19 19 A C5' C 13 63.240 0.30 . 1 . . . . 19 A C5' . 15745 1 332 . 1 1 19 19 A C8 C 13 137.920 0.30 . 1 . . . . 19 A C8 . 15745 1 333 . 1 1 19 19 A N1 N 15 222.420 0.30 . 1 . . . . 19 A N1 . 15745 1 334 . 1 1 19 19 A N6 N 15 84.400 0.30 . 1 . . . . 19 A N6 . 15745 1 335 . 1 1 19 19 A N9 N 15 172.540 0.30 . 1 . . . . 19 A N9 . 15745 1 336 . 1 1 20 20 G H1 H 1 13.690 0.02 . 1 . . . . 20 G H1 . 15745 1 337 . 1 1 20 20 G H1' H 1 5.530 0.02 . 1 . . . . 20 G H1' . 15745 1 338 . 1 1 20 20 G H2' H 1 4.530 0.02 . 1 . . . . 20 G H2' . 15745 1 339 . 1 1 20 20 G H3' H 1 4.250 0.02 . 1 . . . . 20 G H3' . 15745 1 340 . 1 1 20 20 G H4' H 1 4.420 0.02 . 1 . . . . 20 G H4' . 15745 1 341 . 1 1 20 20 G H5' H 1 4.420 0.02 . 2 . . . . 20 G H5' . 15745 1 342 . 1 1 20 20 G H5'' H 1 4.010 0.02 . 2 . . . . 20 G H5'' . 15745 1 343 . 1 1 20 20 G H8 H 1 7.050 0.02 . 1 . . . . 20 G H8 . 15745 1 344 . 1 1 20 20 G C1' C 13 91.290 0.30 . 1 . . . . 20 G C1' . 15745 1 345 . 1 1 20 20 G C2' C 13 73.510 0.30 . 1 . . . . 20 G C2' . 15745 1 346 . 1 1 20 20 G C3' C 13 71.170 0.30 . 1 . . . . 20 G C3' . 15745 1 347 . 1 1 20 20 G C4' C 13 80.440 0.30 . 1 . . . . 20 G C4' . 15745 1 348 . 1 1 20 20 G C5' C 13 63.900 0.30 . 1 . . . . 20 G C5' . 15745 1 349 . 1 1 20 20 G C8 C 13 133.880 0.30 . 1 . . . . 20 G C8 . 15745 1 350 . 1 1 20 20 G N1 N 15 150.170 0.30 . 1 . . . . 20 G N1 . 15745 1 351 . 1 1 20 20 G N2 N 15 76.140 0.30 . 1 . . . . 20 G N2 . 15745 1 352 . 1 1 20 20 G N9 N 15 171.000 0.30 . 1 . . . . 20 G N9 . 15745 1 353 . 1 1 21 21 U H1' H 1 5.490 0.02 . 1 . . . . 21 U H1' . 15745 1 354 . 1 1 21 21 U H2' H 1 4.050 0.02 . 1 . . . . 21 U H2' . 15745 1 355 . 1 1 21 21 U H3 H 1 12.310 0.02 . 1 . . . . 21 U H3 . 15745 1 356 . 1 1 21 21 U H3' H 1 4.480 0.02 . 1 . . . . 21 U H3' . 15745 1 357 . 1 1 21 21 U H4' H 1 4.350 0.02 . 1 . . . . 21 U H4' . 15745 1 358 . 1 1 21 21 U H5 H 1 5.310 0.02 . 1 . . . . 21 U H5 . 15745 1 359 . 1 1 21 21 U H5' H 1 4.480 0.02 . 2 . . . . 21 U H5' . 15745 1 360 . 1 1 21 21 U H5'' H 1 4.010 0.02 . 2 . . . . 21 U H5'' . 15745 1 361 . 1 1 21 21 U H6 H 1 7.690 0.02 . 1 . . . . 21 U H6 . 15745 1 362 . 1 1 21 21 U C1' C 13 92.760 0.30 . 1 . . . . 21 U C1' . 15745 1 363 . 1 1 21 21 U C2' C 13 74.090 0.30 . 1 . . . . 21 U C2' . 15745 1 364 . 1 1 21 21 U C3' C 13 70.430 0.30 . 1 . . . . 21 U C3' . 15745 1 365 . 1 1 21 21 U C4' C 13 80.970 0.30 . 1 . . . . 21 U C4' . 15745 1 366 . 1 1 21 21 U C5 C 13 102.210 0.30 . 1 . . . . 21 U C5 . 15745 1 367 . 1 1 21 21 U C5' C 13 62.370 0.30 . 1 . . . . 21 U C5' . 15745 1 368 . 1 1 21 21 U C6 C 13 139.080 0.30 . 1 . . . . 21 U C6 . 15745 1 369 . 1 1 21 21 U N1 N 15 147.110 0.30 . 1 . . . . 21 U N1 . 15745 1 370 . 1 1 21 21 U N3 N 15 160.610 0.30 . 1 . . . . 21 U N3 . 15745 1 371 . 1 1 22 22 C H1' H 1 6.190 0.02 . 1 . . . . 22 C H1' . 15745 1 372 . 1 1 22 22 C H2' H 1 4.660 0.02 . 1 . . . . 22 C H2' . 15745 1 373 . 1 1 22 22 C H3' H 1 4.990 0.02 . 1 . . . . 22 C H3' . 15745 1 374 . 1 1 22 22 C H4' H 1 4.360 0.02 . 1 . . . . 22 C H4' . 15745 1 375 . 1 1 22 22 C H5 H 1 5.660 0.02 . 1 . . . . 22 C H5 . 15745 1 376 . 1 1 22 22 C H5' H 1 4.560 0.02 . 2 . . . . 22 C H5' . 15745 1 377 . 1 1 22 22 C H5'' H 1 4.080 0.02 . 2 . . . . 22 C H5'' . 15745 1 378 . 1 1 22 22 C H6 H 1 7.540 0.02 . 1 . . . . 22 C H6 . 15745 1 379 . 1 1 22 22 C H41 H 1 8.620 0.02 . 2 . . . . 22 C H41 . 15745 1 380 . 1 1 22 22 C H42 H 1 7.020 0.02 . 2 . . . . 22 C H42 . 15745 1 381 . 1 1 22 22 C C1' C 13 89.930 0.30 . 1 . . . . 22 C C1' . 15745 1 382 . 1 1 22 22 C C2' C 13 83.290 0.30 . 1 . . . . 22 C C2' . 15745 1 383 . 1 1 22 22 C C3' C 13 76.270 0.30 . 1 . . . . 22 C C3' . 15745 1 384 . 1 1 22 22 C C4' C 13 83.650 0.30 . 1 . . . . 22 C C4' . 15745 1 385 . 1 1 22 22 C C5 C 13 97.340 0.30 . 1 . . . . 22 C C5 . 15745 1 386 . 1 1 22 22 C C5' C 13 64.050 0.30 . 1 . . . . 22 C C5' . 15745 1 387 . 1 1 22 22 C C6 C 13 141.530 0.30 . 1 . . . . 22 C C6 . 15745 1 388 . 1 1 22 22 C N1 N 15 152.370 0.30 . 1 . . . . 22 C N1 . 15745 1 389 . 1 1 22 22 C N3 N 15 198.010 0.30 . 1 . . . . 22 C N3 . 15745 1 390 . 1 1 22 22 C N4 N 15 100.360 0.30 . 1 . . . . 22 C N4 . 15745 1 stop_ save_