data_6543 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6543 _Entry.Title ; HIV-1 frameshift inducing element RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-10 _Entry.Accession_date 2005-03-11 _Entry.Last_release_date 2006-11-06 _Entry.Original_release_date 2006-11-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 David Staple . W. . 6543 2 Samuel Butcher . E. . 6543 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6543 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 308 6543 '13C chemical shifts' 91 6543 '15N chemical shifts' 24 6543 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 . . 2006-11-06 2005-03-10 original author . 6543 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Z2J 'BMRB Entry Tracking System' 6543 . 5834 'HIV-1 frameshift inducing stem-loop RNA' 6543 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6543 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15927637 _Citation.Full_citation . _Citation.Title 'Soultion structure and thermodynamic investigation of the HIV-1 frameshift inducing element' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 349 _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 1011 _Citation.Page_last 1023 _Citation.Year 2005 _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 David Staple . W. . 6543 1 2 Samuel Butcher . E. . 6543 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6543 _Assembly.ID 1 _Assembly.Name 'HIV-1 frameshift inducing RNA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not available' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'single stranded RNA' 6543 1 stop_ 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 'HIV-1 frameshift inducing RNA' 1 $HIV-1_frameshift_inducing_RNA . . yes native no no . . . 6543 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-1_frameshift_inducing_RNA _Entity.Sf_category entity _Entity.Sf_framecode HIV-1_frameshift_inducing_RNA _Entity.Entry_ID 6543 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HIV-1 frameshift induciting element RNA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGAAGAUCUGGCCUUCCCA CAAGGGAAGGCCAGGGAAUC UUCCC ; _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 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ribosomal frameshift induction' 6543 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID frameshift 6543 1 HIV 6543 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 . 6543 1 2 . G . 6543 1 3 . G . 6543 1 4 . A . 6543 1 5 . A . 6543 1 6 . G . 6543 1 7 . A . 6543 1 8 . U . 6543 1 9 . C . 6543 1 10 . U . 6543 1 11 . G . 6543 1 12 . G . 6543 1 13 . C . 6543 1 14 . C . 6543 1 15 . U . 6543 1 16 . U . 6543 1 17 . C . 6543 1 18 . C . 6543 1 19 . C . 6543 1 20 . A . 6543 1 21 . C . 6543 1 22 . A . 6543 1 23 . A . 6543 1 24 . G . 6543 1 25 . G . 6543 1 26 . G . 6543 1 27 . A . 6543 1 28 . A . 6543 1 29 . G . 6543 1 30 . G . 6543 1 31 . C . 6543 1 32 . C . 6543 1 33 . A . 6543 1 34 . G . 6543 1 35 . G . 6543 1 36 . G . 6543 1 37 . A . 6543 1 38 . A . 6543 1 39 . U . 6543 1 40 . C . 6543 1 41 . U . 6543 1 42 . U . 6543 1 43 . C . 6543 1 44 . C . 6543 1 45 . C . 6543 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 6543 1 . G 2 2 6543 1 . G 3 3 6543 1 . A 4 4 6543 1 . A 5 5 6543 1 . G 6 6 6543 1 . A 7 7 6543 1 . U 8 8 6543 1 . C 9 9 6543 1 . U 10 10 6543 1 . G 11 11 6543 1 . G 12 12 6543 1 . C 13 13 6543 1 . C 14 14 6543 1 . U 15 15 6543 1 . U 16 16 6543 1 . C 17 17 6543 1 . C 18 18 6543 1 . C 19 19 6543 1 . A 20 20 6543 1 . C 21 21 6543 1 . A 22 22 6543 1 . A 23 23 6543 1 . G 24 24 6543 1 . G 25 25 6543 1 . G 26 26 6543 1 . A 27 27 6543 1 . A 28 28 6543 1 . G 29 29 6543 1 . G 30 30 6543 1 . C 31 31 6543 1 . C 32 32 6543 1 . A 33 33 6543 1 . G 34 34 6543 1 . G 35 35 6543 1 . G 36 36 6543 1 . A 37 37 6543 1 . A 38 38 6543 1 . U 39 39 6543 1 . C 40 40 6543 1 . U 41 41 6543 1 . U 42 42 6543 1 . C 43 43 6543 1 . C 44 44 6543 1 . C 45 45 6543 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 6543 _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 $HIV-1_frameshift_inducing_RNA . 11676 virus . . HIV . . Viruses 'Not applicable' HIV HIV . . . . . . . . . . . . . . . . . . . . . 6543 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 6543 _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 $HIV-1_frameshift_inducing_RNA . 'in vitro transcription' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6543 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV-1 frameshift induciting element RNA' '[U-13C; U-15N]-A,U' . . 1 $HIV-1_frameshift_inducing_RNA . . 1 . . mM . . . . 6543 1 2 NaCl . . . . . . . 50 . . mM . . . . 6543 1 3 D2O . . . . . . . 10 . . % . . . . 6543 1 4 H2O . . . . . . . 90 . . % . . . . 6543 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6543 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV-1 frameshift induciting element RNA' '[U-13C; U-15N]-G,C' . . 1 $HIV-1_frameshift_inducing_RNA . . 1 . . mM . . . . 6543 2 2 NaCl . . . . . . . 50 . . mM . . . . 6543 2 3 D2O . . . . . . . 100 . . % . . . . 6543 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6543 _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 pH 6.8 0.1 pH 6543 1 pressure 1 0.1 atm 6543 1 temperature 303 0.1 K 6543 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 6543 _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 pH 6.8 0.1 pH 6543 2 pressure 1 0.1 atm 6543 2 temperature 283 0.1 K 6543 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6543 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 6543 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6543 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_900MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900MHz_spectrometer _NMR_spectrometer.Entry_ID 6543 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6543 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 2 '2D 1H-1H TOCSY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 3 '2D 1H-13C HSQC' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 4 '2D 1H-15N HMQC' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 5 '2D HNN COSY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 6 '3D HCCH TOCSY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 7 '3D HCCH COSY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 8 '3D NOESY-HMQC' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 9 'Filter/Edit 2D 1H-1H NOEY' yes 1 $1H15C_HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6543 1 stop_ save_ save_1H15C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15C_HSQC _NMR_spec_expt.Entry_ID 6543 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15C_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6543 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6543 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6543 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6543 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . 1 $entry_citation . . 1 $entry_citation 6543 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6543 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6543 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 12.457 0.011 . . . . . . 1 G H1 . 6543 1 2 . 1 1 1 1 G H8 H 1 8.071 0.024 . . . . . . 1 G H8 . 6543 1 3 . 1 1 1 1 G H1' H 1 5.771 0.001 . . . . . . 1 G H1' . 6543 1 4 . 1 1 1 1 G H2' H 1 4.856 0.000 . . . . . . 1 G H2' . 6543 1 5 . 1 1 1 1 G H3' H 1 4.641 0.000 . . . . . . 1 G H3' . 6543 1 6 . 1 1 1 1 G H4' H 1 4.493 0.000 . . . . . . 1 G H4' . 6543 1 7 . 1 1 1 1 G H5' H 1 4.369 0.000 . . . . . . 1 G H5' . 6543 1 8 . 1 1 1 1 G H5'' H 1 4.206 0.004 . . . . . . 1 G H5'' . 6543 1 9 . 1 1 1 1 G C8 C 13 139.297 0.000 . . . . . . 1 G C8 . 6543 1 10 . 1 1 1 1 G N1 N 15 144.825 0.000 . . . . . . 1 G N1 . 6543 1 11 . 1 1 2 2 G H1 H 1 12.611 0.005 . . . . . . 2 G H1 . 6543 1 12 . 1 1 2 2 G H8 H 1 7.461 0.004 . . . . . . 2 G H8 . 6543 1 13 . 1 1 2 2 G H1' H 1 5.873 0.000 . . . . . . 2 G H1' . 6543 1 14 . 1 1 2 2 G H2' H 1 4.486 0.000 . . . . . . 2 G H2' . 6543 1 15 . 1 1 2 2 G H3' H 1 4.641 0.000 . . . . . . 2 G H3' . 6543 1 16 . 1 1 2 2 G H4' H 1 4.428 0.000 . . . . . . 2 G H4' . 6543 1 17 . 1 1 2 2 G H5' H 1 4.416 0.000 . . . . . . 2 G H5' . 6543 1 18 . 1 1 2 2 G H5'' H 1 4.215 0.000 . . . . . . 2 G H5'' . 6543 1 19 . 1 1 2 2 G C8 C 13 136.786 0.000 . . . . . . 2 G C8 . 6543 1 20 . 1 1 2 2 G N1 N 15 144.718 0.000 . . . . . . 2 G N1 . 6543 1 21 . 1 1 3 3 G H1 H 1 12.165 0.006 . . . . . . 3 G H1 . 6543 1 22 . 1 1 3 3 G H8 H 1 7.104 0.009 . . . . . . 3 G H8 . 6543 1 23 . 1 1 3 3 G H1' H 1 5.711 0.001 . . . . . . 3 G H1' . 6543 1 24 . 1 1 3 3 G H2' H 1 4.565 0.000 . . . . . . 3 G H2' . 6543 1 25 . 1 1 3 3 G H3' H 1 4.640 0.000 . . . . . . 3 G H3' . 6543 1 26 . 1 1 3 3 G H4' H 1 4.430 0.000 . . . . . . 3 G H4' . 6543 1 27 . 1 1 3 3 G H21 H 1 7.911 0.000 . . . . . . 3 G H21 . 6543 1 28 . 1 1 3 3 G H22 H 1 5.728 0.000 . . . . . . 3 G H22 . 6543 1 29 . 1 1 3 3 G C8 C 13 136.926 0.000 . . . . . . 3 G C8 . 6543 1 30 . 1 1 3 3 G N1 N 15 144.711 0.000 . . . . . . 3 G N1 . 6543 1 31 . 1 1 4 4 A H2 H 1 7.067 0.010 . . . . . . 4 A H2 . 6543 1 32 . 1 1 4 4 A H8 H 1 7.559 0.008 . . . . . . 4 A H8 . 6543 1 33 . 1 1 4 4 A H1' H 1 5.848 0.002 . . . . . . 4 A H1' . 6543 1 34 . 1 1 4 4 A H2' H 1 4.580 0.001 . . . . . . 4 A H2' . 6543 1 35 . 1 1 4 4 A H3' H 1 4.464 0.000 . . . . . . 4 A H3' . 6543 1 36 . 1 1 4 4 A H4' H 1 4.433 0.000 . . . . . . 4 A H4' . 6543 1 37 . 1 1 4 4 A H5' H 1 4.042 0.000 . . . . . . 4 A H5' . 6543 1 38 . 1 1 4 4 A H61 H 1 7.748 0.000 . . . . . . 4 A H61 . 6543 1 39 . 1 1 4 4 A H62 H 1 6.596 0.000 . . . . . . 4 A H62 . 6543 1 40 . 1 1 4 4 A C2 C 13 152.812 0.000 . . . . . . 4 A C2 . 6543 1 41 . 1 1 4 4 A C8 C 13 139.013 0.000 . . . . . . 4 A C8 . 6543 1 42 . 1 1 4 4 A C1' C 13 90.380 0.000 . . . . . . 4 A C1' . 6543 1 43 . 1 1 5 5 A H2 H 1 7.387 0.005 . . . . . . 5 A H2 . 6543 1 44 . 1 1 5 5 A H8 H 1 7.541 0.005 . . . . . . 5 A H8 . 6543 1 45 . 1 1 5 5 A H1' H 1 5.797 0.003 . . . . . . 5 A H1' . 6543 1 46 . 1 1 5 5 A H2' H 1 4.583 0.001 . . . . . . 5 A H2' . 6543 1 47 . 1 1 5 5 A H3' H 1 4.460 0.000 . . . . . . 5 A H3' . 6543 1 48 . 1 1 5 5 A H4' H 1 4.414 0.000 . . . . . . 5 A H4' . 6543 1 49 . 1 1 5 5 A H5' H 1 4.030 0.000 . . . . . . 5 A H5' . 6543 1 50 . 1 1 5 5 A C2 C 13 153.019 0.000 . . . . . . 5 A C2 . 6543 1 51 . 1 1 5 5 A C8 C 13 139.000 0.000 . . . . . . 5 A C8 . 6543 1 52 . 1 1 5 5 A C1' C 13 92.650 0.000 . . . . . . 5 A C1' . 6543 1 53 . 1 1 6 6 G H1 H 1 12.638 0.006 . . . . . . 6 G H1 . 6543 1 54 . 1 1 6 6 G H8 H 1 6.950 0.002 . . . . . . 6 G H8 . 6543 1 55 . 1 1 6 6 G H1' H 1 5.444 0.001 . . . . . . 6 G H1' . 6543 1 56 . 1 1 6 6 G H2' H 1 4.436 0.002 . . . . . . 6 G H2' . 6543 1 57 . 1 1 6 6 G H21 H 1 7.972 0.000 . . . . . . 6 G H21 . 6543 1 58 . 1 1 6 6 G H22 H 1 6.012 0.000 . . . . . . 6 G H22 . 6543 1 59 . 1 1 6 6 G C8 C 13 135.839 0.000 . . . . . . 6 G C8 . 6543 1 60 . 1 1 6 6 G N1 N 15 144.744 0.000 . . . . . . 6 G N1 . 6543 1 61 . 1 1 7 7 A H2 H 1 7.846 0.008 . . . . . . 7 A H2 . 6543 1 62 . 1 1 7 7 A H8 H 1 7.672 0.005 . . . . . . 7 A H8 . 6543 1 63 . 1 1 7 7 A H1' H 1 5.930 0.001 . . . . . . 7 A H1' . 6543 1 64 . 1 1 7 7 A H2' H 1 4.352 0.000 . . . . . . 7 A H2' . 6543 1 65 . 1 1 7 7 A H3' H 1 4.559 0.000 . . . . . . 7 A H3' . 6543 1 66 . 1 1 7 7 A H4' H 1 4.467 0.053 . . . . . . 7 A H4' . 6543 1 67 . 1 1 7 7 A H5'' H 1 4.049 0.000 . . . . . . 7 A H5'' . 6543 1 68 . 1 1 7 7 A C2 C 13 154.686 0.000 . . . . . . 7 A C2 . 6543 1 69 . 1 1 7 7 A C8 C 13 139.258 0.000 . . . . . . 7 A C8 . 6543 1 70 . 1 1 7 7 A C1' C 13 93.063 0.000 . . . . . . 7 A C1' . 6543 1 71 . 1 1 8 8 U H5 H 1 5.172 0.003 . . . . . . 8 U H5 . 6543 1 72 . 1 1 8 8 U H6 H 1 7.461 0.006 . . . . . . 8 U H6 . 6543 1 73 . 1 1 8 8 U H1' H 1 5.746 0.005 . . . . . . 8 U H1' . 6543 1 74 . 1 1 8 8 U H2' H 1 4.229 0.001 . . . . . . 8 U H2' . 6543 1 75 . 1 1 8 8 U H3' H 1 4.561 0.001 . . . . . . 8 U H3' . 6543 1 76 . 1 1 8 8 U H4' H 1 4.367 0.002 . . . . . . 8 U H4' . 6543 1 77 . 1 1 8 8 U H5' H 1 4.043 0.002 . . . . . . 8 U H5' . 6543 1 78 . 1 1 8 8 U C5 C 13 103.852 0.000 . . . . . . 8 U C5 . 6543 1 79 . 1 1 8 8 U C6 C 13 141.653 0.000 . . . . . . 8 U C6 . 6543 1 80 . 1 1 8 8 U C1' C 13 90.249 0.000 . . . . . . 8 U C1' . 6543 1 81 . 1 1 9 9 C H5 H 1 5.901 0.000 . . . . . . 9 C H5 . 6543 1 82 . 1 1 9 9 C H6 H 1 7.856 0.003 . . . . . . 9 C H6 . 6543 1 83 . 1 1 9 9 C H1' H 1 5.438 0.001 . . . . . . 9 C H1' . 6543 1 84 . 1 1 9 9 C H2' H 1 4.424 0.004 . . . . . . 9 C H2' . 6543 1 85 . 1 1 9 9 C H42 H 1 6.950 0.000 . . . . . . 9 C H42 . 6543 1 86 . 1 1 9 9 C C5 C 13 98.484 0.000 . . . . . . 9 C C5 . 6543 1 87 . 1 1 9 9 C C6 C 13 142.597 0.000 . . . . . . 9 C C6 . 6543 1 88 . 1 1 9 9 C N3 N 15 165.100 0.000 . . . . . . 9 C N3 . 6543 1 89 . 1 1 10 10 U H3 H 1 13.277 0.004 . . . . . . 10 U H3 . 6543 1 90 . 1 1 10 10 U H5 H 1 5.387 0.008 . . . . . . 10 U H5 . 6543 1 91 . 1 1 10 10 U H6 H 1 7.812 0.002 . . . . . . 10 U H6 . 6543 1 92 . 1 1 10 10 U H1' H 1 5.411 0.003 . . . . . . 10 U H1' . 6543 1 93 . 1 1 10 10 U H2' H 1 4.545 0.001 . . . . . . 10 U H2' . 6543 1 94 . 1 1 10 10 U H4' H 1 4.322 0.000 . . . . . . 10 U H4' . 6543 1 95 . 1 1 10 10 U H5' H 1 4.085 0.002 . . . . . . 10 U H5' . 6543 1 96 . 1 1 10 10 U H5'' H 1 4.451 0.000 . . . . . . 10 U H5'' . 6543 1 97 . 1 1 10 10 U C5 C 13 103.526 0.000 . . . . . . 10 U C5 . 6543 1 98 . 1 1 10 10 U C6 C 13 141.994 0.000 . . . . . . 10 U C6 . 6543 1 99 . 1 1 10 10 U C1' C 13 93.598 0.000 . . . . . . 10 U C1' . 6543 1 100 . 1 1 11 11 G H1 H 1 11.999 0.005 . . . . . . 11 G H1 . 6543 1 101 . 1 1 11 11 G H8 H 1 7.627 0.001 . . . . . . 11 G H8 . 6543 1 102 . 1 1 11 11 G H1' H 1 5.685 0.001 . . . . . . 11 G H1' . 6543 1 103 . 1 1 11 11 G H2' H 1 4.519 0.002 . . . . . . 11 G H2' . 6543 1 104 . 1 1 11 11 G H21 H 1 7.675 0.000 . . . . . . 11 G H21 . 6543 1 105 . 1 1 11 11 G H22 H 1 5.609 0.000 . . . . . . 11 G H22 . 6543 1 106 . 1 1 11 11 G C8 C 13 136.397 0.000 . . . . . . 11 G C8 . 6543 1 107 . 1 1 11 11 G N1 N 15 144.419 0.000 . . . . . . 11 G N1 . 6543 1 108 . 1 1 12 12 G H1 H 1 13.229 0.006 . . . . . . 12 G H1 . 6543 1 109 . 1 1 12 12 G H8 H 1 7.244 0.002 . . . . . . 12 G H8 . 6543 1 110 . 1 1 12 12 G H1' H 1 5.597 0.000 . . . . . . 12 G H1' . 6543 1 111 . 1 1 12 12 G H2' H 1 4.384 0.000 . . . . . . 12 G H2' . 6543 1 112 . 1 1 12 12 G H4' H 1 4.344 0.000 . . . . . . 12 G H4' . 6543 1 113 . 1 1 12 12 G H5'' H 1 4.009 0.002 . . . . . . 12 G H5'' . 6543 1 114 . 1 1 12 12 G H21 H 1 8.334 0.000 . . . . . . 12 G H21 . 6543 1 115 . 1 1 12 12 G H22 H 1 5.431 0.000 . . . . . . 12 G H22 . 6543 1 116 . 1 1 12 12 G C8 C 13 136.012 0.000 . . . . . . 12 G C8 . 6543 1 117 . 1 1 12 12 G N1 N 15 145.241 0.000 . . . . . . 12 G N1 . 6543 1 118 . 1 1 13 13 C H5 H 1 5.126 0.005 . . . . . . 13 C H5 . 6543 1 119 . 1 1 13 13 C H6 H 1 7.524 0.001 . . . . . . 13 C H6 . 6543 1 120 . 1 1 13 13 C H1' H 1 5.434 0.001 . . . . . . 13 C H1' . 6543 1 121 . 1 1 13 13 C H2' H 1 4.335 0.000 . . . . . . 13 C H2' . 6543 1 122 . 1 1 13 13 C H41 H 1 8.544 0.000 . . . . . . 13 C H41 . 6543 1 123 . 1 1 13 13 C H42 H 1 6.836 0.000 . . . . . . 13 C H42 . 6543 1 124 . 1 1 13 13 C C5 C 13 97.406 0.000 . . . . . . 13 C C5 . 6543 1 125 . 1 1 13 13 C C6 C 13 140.735 0.000 . . . . . . 13 C C6 . 6543 1 126 . 1 1 13 13 C N3 N 15 165.018 0.000 . . . . . . 13 C N3 . 6543 1 127 . 1 1 14 14 C H5 H 1 5.473 0.002 . . . . . . 14 C H5 . 6543 1 128 . 1 1 14 14 C H6 H 1 7.669 0.004 . . . . . . 14 C H6 . 6543 1 129 . 1 1 14 14 C H1' H 1 5.439 0.001 . . . . . . 14 C H1' . 6543 1 130 . 1 1 14 14 C H2' H 1 4.366 0.000 . . . . . . 14 C H2' . 6543 1 131 . 1 1 14 14 C H41 H 1 8.494 0.000 . . . . . . 14 C H41 . 6543 1 132 . 1 1 14 14 C H42 H 1 6.876 0.000 . . . . . . 14 C H42 . 6543 1 133 . 1 1 14 14 C C5 C 13 97.872 0.000 . . . . . . 14 C C5 . 6543 1 134 . 1 1 14 14 C C6 C 13 141.309 0.000 . . . . . . 14 C C6 . 6543 1 135 . 1 1 14 14 C N3 N 15 164.772 0.000 . . . . . . 14 C N3 . 6543 1 136 . 1 1 15 15 U H5 H 1 5.360 0.004 . . . . . . 15 U H5 . 6543 1 137 . 1 1 15 15 U H6 H 1 7.867 0.005 . . . . . . 15 U H6 . 6543 1 138 . 1 1 15 15 U H1' H 1 5.469 0.003 . . . . . . 15 U H1' . 6543 1 139 . 1 1 15 15 U H2' H 1 4.368 0.001 . . . . . . 15 U H2' . 6543 1 140 . 1 1 15 15 U C5 C 13 103.108 0.000 . . . . . . 15 U C5 . 6543 1 141 . 1 1 15 15 U C6 C 13 142.189 0.000 . . . . . . 15 U C6 . 6543 1 142 . 1 1 15 15 U C1' C 13 93.978 0.000 . . . . . . 15 U C1' . 6543 1 143 . 1 1 15 15 U H3 H 1 13.868 0.004 . . . . . . 15 U U3 . 6543 1 144 . 1 1 16 16 U H3 H 1 13.709 0.005 . . . . . . 16 U H3 . 6543 1 145 . 1 1 16 16 U H5 H 1 5.532 0.003 . . . . . . 16 U H5 . 6543 1 146 . 1 1 16 16 U H6 H 1 8.015 0.003 . . . . . . 16 U H6 . 6543 1 147 . 1 1 16 16 U H1' H 1 5.581 0.000 . . . . . . 16 U H1' . 6543 1 148 . 1 1 16 16 U H2' H 1 4.405 0.008 . . . . . . 16 U H2' . 6543 1 149 . 1 1 16 16 U C5 C 13 102.948 0.000 . . . . . . 16 U C5 . 6543 1 150 . 1 1 16 16 U C6 C 13 142.688 0.000 . . . . . . 16 U C6 . 6543 1 151 . 1 1 16 16 U C1' C 13 93.739 0.000 . . . . . . 16 U C1' . 6543 1 152 . 1 1 17 17 C H5 H 1 5.545 0.001 . . . . . . 17 C H5 . 6543 1 153 . 1 1 17 17 C H6 H 1 7.834 0.002 . . . . . . 17 C H6 . 6543 1 154 . 1 1 17 17 C H1' H 1 5.445 0.000 . . . . . . 17 C H1' . 6543 1 155 . 1 1 17 17 C H2' H 1 4.178 0.000 . . . . . . 17 C H2' . 6543 1 156 . 1 1 17 17 C H41 H 1 8.250 0.000 . . . . . . 17 C H41 . 6543 1 157 . 1 1 17 17 C H42 H 1 6.902 0.000 . . . . . . 17 C H42 . 6543 1 158 . 1 1 17 17 C C5 C 13 97.163 0.000 . . . . . . 17 C C5 . 6543 1 159 . 1 1 17 17 C C6 C 13 141.799 0.000 . . . . . . 17 C C6 . 6543 1 160 . 1 1 17 17 C N3 N 15 165.181 0.000 . . . . . . 17 C N3 . 6543 1 161 . 1 1 18 18 C H5 H 1 5.306 0.005 . . . . . . 18 C H5 . 6543 1 162 . 1 1 18 18 C H6 H 1 7.689 0.003 . . . . . . 18 C H6 . 6543 1 163 . 1 1 18 18 C H1' H 1 5.336 0.001 . . . . . . 18 C H1' . 6543 1 164 . 1 1 18 18 C H2' H 1 4.256 0.000 . . . . . . 18 C H2' . 6543 1 165 . 1 1 18 18 C H3' H 1 4.397 0.003 . . . . . . 18 C H3' . 6543 1 166 . 1 1 18 18 C H4' H 1 4.299 0.002 . . . . . . 18 C H4' . 6543 1 167 . 1 1 18 18 C H5' H 1 4.494 0.005 . . . . . . 18 C H5' . 6543 1 168 . 1 1 18 18 C H5'' H 1 3.988 0.002 . . . . . . 18 C H5'' . 6543 1 169 . 1 1 18 18 C H41 H 1 8.262 0.000 . . . . . . 18 C H41 . 6543 1 170 . 1 1 18 18 C H42 H 1 6.732 0.000 . . . . . . 18 C H42 . 6543 1 171 . 1 1 18 18 C C5 C 13 97.330 0.000 . . . . . . 18 C C5 . 6543 1 172 . 1 1 18 18 C C6 C 13 141.363 0.000 . . . . . . 18 C C6 . 6543 1 173 . 1 1 18 18 C N3 N 15 164.747 0.000 . . . . . . 18 C N3 . 6543 1 174 . 1 1 19 19 C H5 H 1 5.116 0.004 . . . . . . 19 C H5 . 6543 1 175 . 1 1 19 19 C H6 H 1 7.470 0.002 . . . . . . 19 C H6 . 6543 1 176 . 1 1 19 19 C H1' H 1 5.380 0.003 . . . . . . 19 C H1' . 6543 1 177 . 1 1 19 19 C H2' H 1 4.564 0.001 . . . . . . 19 C H2' . 6543 1 178 . 1 1 19 19 C H3' H 1 4.335 0.002 . . . . . . 19 C H3' . 6543 1 179 . 1 1 19 19 C H4' H 1 4.315 0.000 . . . . . . 19 C H4' . 6543 1 180 . 1 1 19 19 C H42 H 1 6.618 0.000 . . . . . . 19 C H42 . 6543 1 181 . 1 1 19 19 C C5 C 13 96.973 0.000 . . . . . . 19 C C5 . 6543 1 182 . 1 1 19 19 C C6 C 13 142.949 0.000 . . . . . . 19 C C6 . 6543 1 183 . 1 1 19 19 C N3 N 15 164.113 0.000 . . . . . . 19 C N3 . 6543 1 184 . 1 1 20 20 A H2 H 1 7.563 0.000 . . . . . . 20 A H2 . 6543 1 185 . 1 1 20 20 A H8 H 1 8.014 0.004 . . . . . . 20 A H8 . 6543 1 186 . 1 1 20 20 A H1' H 1 5.670 0.004 . . . . . . 20 A H1' . 6543 1 187 . 1 1 20 20 A H2' H 1 4.372 0.001 . . . . . . 20 A H2' . 6543 1 188 . 1 1 20 20 A H3' H 1 4.564 0.000 . . . . . . 20 A H3' . 6543 1 189 . 1 1 20 20 A C2 C 13 154.190 0.000 . . . . . . 20 A C2 . 6543 1 190 . 1 1 20 20 A C8 C 13 139.869 0.000 . . . . . . 20 A C8 . 6543 1 191 . 1 1 20 20 A C1' C 13 93.391 0.000 . . . . . . 20 A C1' . 6543 1 192 . 1 1 21 21 C H5 H 1 5.412 0.001 . . . . . . 21 C H5 . 6543 1 193 . 1 1 21 21 C H6 H 1 7.426 0.001 . . . . . . 21 C H6 . 6543 1 194 . 1 1 21 21 C H1' H 1 5.582 0.001 . . . . . . 21 C H1' . 6543 1 195 . 1 1 21 21 C H2' H 1 3.975 0.003 . . . . . . 21 C H2' . 6543 1 196 . 1 1 21 21 C H3' H 1 4.270 0.001 . . . . . . 21 C H3' . 6543 1 197 . 1 1 21 21 C H4' H 1 3.613 0.001 . . . . . . 21 C H4' . 6543 1 198 . 1 1 21 21 C H5'' H 1 3.758 0.003 . . . . . . 21 C H5'' . 6543 1 199 . 1 1 22 22 A H2 H 1 7.959 0.012 . . . . . . 22 A H2 . 6543 1 200 . 1 1 22 22 A H8 H 1 8.075 0.004 . . . . . . 22 A H8 . 6543 1 201 . 1 1 22 22 A H1' H 1 5.764 0.003 . . . . . . 22 A H1' . 6543 1 202 . 1 1 22 22 A H2' H 1 4.519 0.002 . . . . . . 22 A H2' . 6543 1 203 . 1 1 22 22 A H3' H 1 4.639 0.000 . . . . . . 22 A H3' . 6543 1 204 . 1 1 22 22 A H4' H 1 4.315 0.002 . . . . . . 22 A H4' . 6543 1 205 . 1 1 22 22 A H5'' H 1 3.779 0.001 . . . . . . 22 A H5'' . 6543 1 206 . 1 1 22 22 A C2 C 13 154.808 0.000 . . . . . . 22 A C2 . 6543 1 207 . 1 1 22 22 A C8 C 13 141.629 0.000 . . . . . . 22 A C8 . 6543 1 208 . 1 1 22 22 A C1' C 13 90.094 0.000 . . . . . . 22 A C1' . 6543 1 209 . 1 1 23 23 A H2 H 1 8.039 0.007 . . . . . . 23 A H2 . 6543 1 210 . 1 1 23 23 A H8 H 1 8.320 0.000 . . . . . . 23 A H8 . 6543 1 211 . 1 1 23 23 A H1' H 1 6.054 0.001 . . . . . . 23 A H1' . 6543 1 212 . 1 1 23 23 A H2' H 1 4.766 0.000 . . . . . . 23 A H2' . 6543 1 213 . 1 1 23 23 A H3' H 1 4.900 0.001 . . . . . . 23 A H3' . 6543 1 214 . 1 1 23 23 A H4' H 1 4.543 0.000 . . . . . . 23 A H4' . 6543 1 215 . 1 1 23 23 A H5' H 1 4.289 0.001 . . . . . . 23 A H5' . 6543 1 216 . 1 1 23 23 A C2 C 13 155.124 0.000 . . . . . . 23 A C2 . 6543 1 217 . 1 1 23 23 A C8 C 13 141.966 0.000 . . . . . . 23 A C8 . 6543 1 218 . 1 1 23 23 A C1' C 13 90.608 0.000 . . . . . . 23 A C1' . 6543 1 219 . 1 1 24 24 G H1 H 1 12.033 0.006 . . . . . . 24 G H1 . 6543 1 220 . 1 1 24 24 G H8 H 1 7.647 0.012 . . . . . . 24 G H8 . 6543 1 221 . 1 1 24 24 G H1' H 1 5.009 0.052 . . . . . . 24 G H1' . 6543 1 222 . 1 1 24 24 G H2' H 1 4.526 0.001 . . . . . . 24 G H2' . 6543 1 223 . 1 1 24 24 G H3' H 1 4.237 0.000 . . . . . . 24 G H3' . 6543 1 224 . 1 1 24 24 G H4' H 1 4.432 0.002 . . . . . . 24 G H4' . 6543 1 225 . 1 1 24 24 G H21 H 1 7.711 0.000 . . . . . . 24 G H21 . 6543 1 226 . 1 1 24 24 G H22 H 1 5.738 0.000 . . . . . . 24 G H22 . 6543 1 227 . 1 1 24 24 G C8 C 13 137.423 0.000 . . . . . . 24 G C8 . 6543 1 228 . 1 1 24 24 G C1' C 13 92.511 0.000 . . . . . . 24 G C1' . 6543 1 229 . 1 1 24 24 G N1 N 15 144.522 0.000 . . . . . . 24 G N1 . 6543 1 230 . 1 1 25 25 G H1 H 1 12.346 0.006 . . . . . . 25 G H1 . 6543 1 231 . 1 1 25 25 G H8 H 1 7.155 0.006 . . . . . . 25 G H8 . 6543 1 232 . 1 1 25 25 G H1' H 1 5.739 0.003 . . . . . . 25 G H1' . 6543 1 233 . 1 1 25 25 G H2' H 1 4.397 0.000 . . . . . . 25 G H2' . 6543 1 234 . 1 1 25 25 G H3' H 1 4.528 0.000 . . . . . . 25 G H3' . 6543 1 235 . 1 1 25 25 G H4' H 1 4.570 0.000 . . . . . . 25 G H4' . 6543 1 236 . 1 1 25 25 G H5'' H 1 4.011 0.000 . . . . . . 25 G H5'' . 6543 1 237 . 1 1 25 25 G H21 H 1 8.228 0.000 . . . . . . 25 G H21 . 6543 1 238 . 1 1 25 25 G H22 H 1 5.851 0.000 . . . . . . 25 G H22 . 6543 1 239 . 1 1 25 25 G C8 C 13 136.127 0.000 . . . . . . 25 G C8 . 6543 1 240 . 1 1 25 25 G N1 N 15 144.752 0.000 . . . . . . 25 G N1 . 6543 1 241 . 1 1 26 26 G H1 H 1 12.109 0.005 . . . . . . 26 G H1 . 6543 1 242 . 1 1 26 26 G H8 H 1 7.044 0.003 . . . . . . 26 G H8 . 6543 1 243 . 1 1 26 26 G H1' H 1 5.679 0.001 . . . . . . 26 G H1' . 6543 1 244 . 1 1 26 26 G H2' H 1 4.535 0.001 . . . . . . 26 G H2' . 6543 1 245 . 1 1 26 26 G H21 H 1 7.863 0.000 . . . . . . 26 G H21 . 6543 1 246 . 1 1 26 26 G C8 C 13 136.039 0.000 . . . . . . 26 G C8 . 6543 1 247 . 1 1 26 26 G N1 N 15 144.694 0.000 . . . . . . 26 G N1 . 6543 1 248 . 1 1 27 27 A H2 H 1 7.045 0.005 . . . . . . 27 A H2 . 6543 1 249 . 1 1 27 27 A H8 H 1 7.556 0.006 . . . . . . 27 A H8 . 6543 1 250 . 1 1 27 27 A H1' H 1 5.833 0.003 . . . . . . 27 A H1' . 6543 1 251 . 1 1 27 27 A H2' H 1 4.551 0.000 . . . . . . 27 A H2' . 6543 1 252 . 1 1 27 27 A H3' H 1 4.474 0.000 . . . . . . 27 A H3' . 6543 1 253 . 1 1 27 27 A H4' H 1 4.431 0.000 . . . . . . 27 A H4' . 6543 1 254 . 1 1 27 27 A H5' H 1 4.038 0.000 . . . . . . 27 A H5' . 6543 1 255 . 1 1 27 27 A H61 H 1 7.742 0.000 . . . . . . 27 A H61 . 6543 1 256 . 1 1 27 27 A H62 H 1 6.589 0.000 . . . . . . 27 A H62 . 6543 1 257 . 1 1 27 27 A C2 C 13 152.827 0.000 . . . . . . 27 A C2 . 6543 1 258 . 1 1 27 27 A C8 C 13 138.903 0.000 . . . . . . 27 A C8 . 6543 1 259 . 1 1 27 27 A C1' C 13 93.128 0.000 . . . . . . 27 A C1' . 6543 1 260 . 1 1 28 28 A H2 H 1 7.399 0.005 . . . . . . 28 A H2 . 6543 1 261 . 1 1 28 28 A H8 H 1 7.557 0.004 . . . . . . 28 A H8 . 6543 1 262 . 1 1 28 28 A H1' H 1 5.808 0.007 . . . . . . 28 A H1' . 6543 1 263 . 1 1 28 28 A H2' H 1 4.556 0.000 . . . . . . 28 A H2' . 6543 1 264 . 1 1 28 28 A H3' H 1 4.475 0.000 . . . . . . 28 A H3' . 6543 1 265 . 1 1 28 28 A H4' H 1 4.414 0.000 . . . . . . 28 A H4' . 6543 1 266 . 1 1 28 28 A H5' H 1 4.038 0.000 . . . . . . 28 A H5' . 6543 1 267 . 1 1 28 28 A H61 H 1 7.856 0.000 . . . . . . 28 A H61 . 6543 1 268 . 1 1 28 28 A H62 H 1 6.565 0.000 . . . . . . 28 A H62 . 6543 1 269 . 1 1 28 28 A C2 C 13 153.007 0.000 . . . . . . 28 A C2 . 6543 1 270 . 1 1 28 28 A C8 C 13 139.146 0.000 . . . . . . 28 A C8 . 6543 1 271 . 1 1 28 28 A C1' C 13 92.825 0.000 . . . . . . 28 A C1' . 6543 1 272 . 1 1 29 29 G H1 H 1 12.865 0.005 . . . . . . 29 G H1 . 6543 1 273 . 1 1 29 29 G H8 H 1 6.965 0.008 . . . . . . 29 G H8 . 6543 1 274 . 1 1 29 29 G H1' H 1 5.499 0.000 . . . . . . 29 G H1' . 6543 1 275 . 1 1 29 29 G H2' H 1 4.454 0.000 . . . . . . 29 G H2' . 6543 1 276 . 1 1 29 29 G H3' H 1 4.322 0.001 . . . . . . 29 G H3' . 6543 1 277 . 1 1 29 29 G H4' H 1 4.383 0.000 . . . . . . 29 G H4' . 6543 1 278 . 1 1 29 29 G H5'' H 1 3.969 0.000 . . . . . . 29 G H5'' . 6543 1 279 . 1 1 29 29 G H21 H 1 8.309 0.000 . . . . . . 29 G H21 . 6543 1 280 . 1 1 29 29 G H22 H 1 6.015 0.000 . . . . . . 29 G H22 . 6543 1 281 . 1 1 29 29 G C8 C 13 135.647 0.000 . . . . . . 29 G C8 . 6543 1 282 . 1 1 29 29 G N1 N 15 144.765 0.000 . . . . . . 29 G N1 . 6543 1 283 . 1 1 30 30 G H1 H 1 13.261 0.005 . . . . . . 30 G H1 . 6543 1 284 . 1 1 30 30 G H8 H 1 7.165 0.001 . . . . . . 30 G H8 . 6543 1 285 . 1 1 30 30 G H1' H 1 5.676 0.001 . . . . . . 30 G H1' . 6543 1 286 . 1 1 30 30 G H2' H 1 4.443 0.000 . . . . . . 30 G H2' . 6543 1 287 . 1 1 30 30 G H21 H 1 8.333 0.000 . . . . . . 30 G H21 . 6543 1 288 . 1 1 30 30 G H22 H 1 5.446 0.000 . . . . . . 30 G H22 . 6543 1 289 . 1 1 30 30 G C8 C 13 135.956 0.000 . . . . . . 30 G C8 . 6543 1 290 . 1 1 30 30 G N1 N 15 145.248 0.000 . . . . . . 30 G N1 . 6543 1 291 . 1 1 31 31 C H5 H 1 5.128 0.005 . . . . . . 31 C H5 . 6543 1 292 . 1 1 31 31 C H6 H 1 7.519 0.002 . . . . . . 31 C H6 . 6543 1 293 . 1 1 31 31 C H1' H 1 5.451 0.001 . . . . . . 31 C H1' . 6543 1 294 . 1 1 31 31 C H2' H 1 4.371 0.000 . . . . . . 31 C H2' . 6543 1 295 . 1 1 31 31 C H41 H 1 8.541 0.000 . . . . . . 31 C H41 . 6543 1 296 . 1 1 31 31 C H42 H 1 6.840 0.000 . . . . . . 31 C H42 . 6543 1 297 . 1 1 31 31 C C5 C 13 97.462 0.000 . . . . . . 31 C C5 . 6543 1 298 . 1 1 31 31 C C6 C 13 140.841 0.000 . . . . . . 31 C C6 . 6543 1 299 . 1 1 31 31 C N3 N 15 165.032 0.000 . . . . . . 31 C N3 . 6543 1 300 . 1 1 32 32 C H2' H 1 4.443 0.000 . . . . . . 32 A H2' . 6543 1 301 . 1 1 32 32 C H5 H 1 5.453 0.002 . . . . . . 32 C H5 . 6543 1 302 . 1 1 32 32 C H6 H 1 7.627 0.002 . . . . . . 32 C H6 . 6543 1 303 . 1 1 32 32 C H1' H 1 5.383 0.000 . . . . . . 32 C H1' . 6543 1 304 . 1 1 32 32 C H41 H 1 8.331 0.000 . . . . . . 32 C H41 . 6543 1 305 . 1 1 32 32 C H42 H 1 6.828 0.000 . . . . . . 32 C H42 . 6543 1 306 . 1 1 32 32 C C6 C 13 140.799 0.000 . . . . . . 32 C C6 . 6543 1 307 . 1 1 32 32 C N3 N 15 164.501 0.000 . . . . . . 32 C N3 . 6543 1 308 . 1 1 33 33 A H2 H 1 6.946 0.007 . . . . . . 33 A H2 . 6543 1 309 . 1 1 33 33 A H8 H 1 7.942 0.004 . . . . . . 33 A H8 . 6543 1 310 . 1 1 33 33 A H1' H 1 5.815 0.003 . . . . . . 33 A H1' . 6543 1 311 . 1 1 33 33 A H2' H 1 4.600 0.001 . . . . . . 33 A H2' . 6543 1 312 . 1 1 33 33 A H3' H 1 4.450 0.000 . . . . . . 33 A H3' . 6543 1 313 . 1 1 33 33 A H4' H 1 4.396 0.000 . . . . . . 33 A H4' . 6543 1 314 . 1 1 33 33 A H5' H 1 4.060 0.000 . . . . . . 33 A H5' . 6543 1 315 . 1 1 33 33 A C2 C 13 152.483 0.000 . . . . . . 33 A C2 . 6543 1 316 . 1 1 33 33 A C8 C 13 139.404 0.000 . . . . . . 33 A C8 . 6543 1 317 . 1 1 33 33 A C1' C 13 92.983 0.000 . . . . . . 33 A C1' . 6543 1 318 . 1 1 34 34 G H1 H 1 12.819 0.007 . . . . . . 34 G H1 . 6543 1 319 . 1 1 34 34 G H8 H 1 6.910 0.005 . . . . . . 34 G H8 . 6543 1 320 . 1 1 34 34 G H1' H 1 5.374 0.001 . . . . . . 34 G H1' . 6543 1 321 . 1 1 34 34 G H2' H 1 4.305 0.000 . . . . . . 34 G H2' . 6543 1 322 . 1 1 34 34 G H3' H 1 4.214 0.003 . . . . . . 34 G H3' . 6543 1 323 . 1 1 34 34 G H5' H 1 3.928 0.001 . . . . . . 34 G H5' . 6543 1 324 . 1 1 34 34 G H21 H 1 8.351 0.000 . . . . . . 34 G H21 . 6543 1 325 . 1 1 34 34 G H22 H 1 5.921 0.000 . . . . . . 34 G H22 . 6543 1 326 . 1 1 34 34 G C8 C 13 135.637 0.000 . . . . . . 34 G C8 . 6543 1 327 . 1 1 34 34 G N1 N 15 144.836 0.000 . . . . . . 34 G N1 . 6543 1 328 . 1 1 35 35 G H1 H 1 10.429 0.003 . . . . . . 35 G H1 . 6543 1 329 . 1 1 35 35 G H8 H 1 7.086 0.005 . . . . . . 35 G H8 . 6543 1 330 . 1 1 35 35 G H1' H 1 5.378 0.001 . . . . . . 35 G H1' . 6543 1 331 . 1 1 35 35 G H2' H 1 4.045 0.001 . . . . . . 35 G H2' . 6543 1 332 . 1 1 35 35 G H3' H 1 4.377 0.001 . . . . . . 35 G H3' . 6543 1 333 . 1 1 35 35 G H4' H 1 4.141 0.001 . . . . . . 35 G H4' . 6543 1 334 . 1 1 35 35 G H5' H 1 3.867 0.000 . . . . . . 35 G H5' . 6543 1 335 . 1 1 35 35 G C8 C 13 136.069 0.000 . . . . . . 35 G C8 . 6543 1 336 . 1 1 36 36 G H1 H 1 10.358 0.008 . . . . . . 36 G H1 . 6543 1 337 . 1 1 36 36 G H8 H 1 7.510 0.005 . . . . . . 36 G H8 . 6543 1 338 . 1 1 36 36 G H1' H 1 5.275 0.002 . . . . . . 36 G H1' . 6543 1 339 . 1 1 36 36 G H2' H 1 4.548 0.001 . . . . . . 36 G H2' . 6543 1 340 . 1 1 36 36 G H3' H 1 4.590 0.000 . . . . . . 36 G H3' . 6543 1 341 . 1 1 36 36 G H4' H 1 4.243 0.001 . . . . . . 36 G H4' . 6543 1 342 . 1 1 36 36 G H5' H 1 4.013 0.003 . . . . . . 36 G H5' . 6543 1 343 . 1 1 36 36 G H5'' H 1 3.905 0.001 . . . . . . 36 G H5'' . 6543 1 344 . 1 1 36 36 G C8 C 13 139.619 0.000 . . . . . . 36 G C8 . 6543 1 345 . 1 1 36 36 G C1' C 13 93.983 0.000 . . . . . . 36 G C1' . 6543 1 346 . 1 1 37 37 A H2 H 1 7.834 0.009 . . . . . . 37 A H2 . 6543 1 347 . 1 1 37 37 A H8 H 1 8.092 0.045 . . . . . . 37 A H8 . 6543 1 348 . 1 1 37 37 A H1' H 1 5.759 0.006 . . . . . . 37 A H1' . 6543 1 349 . 1 1 37 37 A H2' H 1 4.449 0.001 . . . . . . 37 A H2' . 6543 1 350 . 1 1 37 37 A H3' H 1 4.504 0.000 . . . . . . 37 A H3' . 6543 1 351 . 1 1 37 37 A H4' H 1 4.431 0.000 . . . . . . 37 A H4' . 6543 1 352 . 1 1 37 37 A H5' H 1 4.130 0.001 . . . . . . 37 A H5' . 6543 1 353 . 1 1 37 37 A C2 C 13 154.686 0.000 . . . . . . 37 A C2 . 6543 1 354 . 1 1 37 37 A C8 C 13 141.202 0.427 . . . . . . 37 A C8 . 6543 1 355 . 1 1 37 37 A C1' C 13 90.383 0.000 . . . . . . 37 A C1' . 6543 1 356 . 1 1 38 38 A H2 H 1 7.935 0.007 . . . . . . 38 A H2 . 6543 1 357 . 1 1 38 38 A H8 H 1 8.274 0.017 . . . . . . 38 A H8 . 6543 1 358 . 1 1 38 38 A H1' H 1 5.666 0.003 . . . . . . 38 A H1' . 6543 1 359 . 1 1 38 38 A H2' H 1 4.682 0.002 . . . . . . 38 A H2' . 6543 1 360 . 1 1 38 38 A H3' H 1 4.636 0.002 . . . . . . 38 A H3' . 6543 1 361 . 1 1 38 38 A H5' H 1 4.179 0.002 . . . . . . 38 A H5' . 6543 1 362 . 1 1 38 38 A C2 C 13 154.808 0.000 . . . . . . 38 A C2 . 6543 1 363 . 1 1 38 38 A C1' C 13 89.845 0.000 . . . . . . 38 A C1' . 6543 1 364 . 1 1 39 39 U H3 H 1 14.010 0.005 . . . . . . 39 U H3 . 6543 1 365 . 1 1 39 39 U H5 H 1 5.113 0.002 . . . . . . 39 U H5 . 6543 1 366 . 1 1 39 39 U H6 H 1 7.639 0.007 . . . . . . 39 U H6 . 6543 1 367 . 1 1 39 39 U H1' H 1 5.563 0.001 . . . . . . 39 U H1' . 6543 1 368 . 1 1 39 39 U H2' H 1 4.445 0.001 . . . . . . 39 U H2' . 6543 1 369 . 1 1 39 39 U H3' H 1 4.383 0.000 . . . . . . 39 U H3' . 6543 1 370 . 1 1 39 39 U H4' H 1 4.473 0.001 . . . . . . 39 U H4' . 6543 1 371 . 1 1 39 39 U H5' H 1 4.223 0.003 . . . . . . 39 U H5' . 6543 1 372 . 1 1 39 39 U C5 C 13 103.182 0.000 . . . . . . 39 U C5 . 6543 1 373 . 1 1 39 39 U C6 C 13 142.323 0.000 . . . . . . 39 U C6 . 6543 1 374 . 1 1 39 39 U C1' C 13 93.577 0.000 . . . . . . 39 U C1' . 6543 1 375 . 1 1 40 40 C H6 H 1 7.845 0.014 . . . . . . 40 U H6 . 6543 1 376 . 1 1 40 40 C H5 H 1 5.599 0.004 . . . . . . 40 C H5 . 6543 1 377 . 1 1 40 40 C H1' H 1 5.571 0.004 . . . . . . 40 C H1' . 6543 1 378 . 1 1 40 40 C H2' H 1 4.303 0.000 . . . . . . 40 C H2' . 6543 1 379 . 1 1 40 40 C H41 H 1 8.366 0.000 . . . . . . 40 C H41 . 6543 1 380 . 1 1 40 40 C H42 H 1 6.933 0.000 . . . . . . 40 C H42 . 6543 1 381 . 1 1 40 40 C C5 C 13 97.595 0.000 . . . . . . 40 C C5 . 6543 1 382 . 1 1 40 40 C C6 C 13 141.725 0.000 . . . . . . 40 C C6 . 6543 1 383 . 1 1 40 40 C N3 N 15 164.890 0.000 . . . . . . 40 C N3 . 6543 1 384 . 1 1 41 41 U H3 H 1 13.853 0.003 . . . . . . 41 U H3 . 6543 1 385 . 1 1 41 41 U H5 H 1 5.345 0.001 . . . . . . 41 U H5 . 6543 1 386 . 1 1 41 41 U H6 H 1 7.852 0.001 . . . . . . 41 U H6 . 6543 1 387 . 1 1 41 41 U H1' H 1 5.461 0.002 . . . . . . 41 U H1' . 6543 1 388 . 1 1 41 41 U H2' H 1 4.389 0.000 . . . . . . 41 U H2' . 6543 1 389 . 1 1 41 41 U C5 C 13 103.253 0.000 . . . . . . 41 U C5 . 6543 1 390 . 1 1 41 41 U C1' C 13 93.769 0.000 . . . . . . 41 U C1' . 6543 1 391 . 1 1 42 42 U H3 H 1 13.679 0.005 . . . . . . 42 U H3 . 6543 1 392 . 1 1 42 42 U H5 H 1 5.524 0.002 . . . . . . 42 U H5 . 6543 1 393 . 1 1 42 42 U H6 H 1 7.990 0.007 . . . . . . 42 U H6 . 6543 1 394 . 1 1 42 42 U H1' H 1 5.580 0.001 . . . . . . 42 U H1' . 6543 1 395 . 1 1 42 42 U H2' H 1 4.484 0.002 . . . . . . 42 U H2' . 6543 1 396 . 1 1 42 42 U H3' H 1 4.368 0.000 . . . . . . 42 U H3' . 6543 1 397 . 1 1 42 42 U H4' H 1 4.401 0.000 . . . . . . 42 U H4' . 6543 1 398 . 1 1 42 42 U C5 C 13 102.948 0.000 . . . . . . 42 U C5 . 6543 1 399 . 1 1 42 42 U C6 C 13 142.676 0.000 . . . . . . 42 U C6 . 6543 1 400 . 1 1 42 42 U C1' C 13 93.418 0.000 . . . . . . 42 U C1' . 6543 1 401 . 1 1 43 43 C H5 H 1 5.563 0.000 . . . . . . 43 C H5 . 6543 1 402 . 1 1 43 43 C H6 H 1 7.828 0.004 . . . . . . 43 C H6 . 6543 1 403 . 1 1 43 43 C H1' H 1 5.448 0.002 . . . . . . 43 C H1' . 6543 1 404 . 1 1 43 43 C H2' H 1 4.219 0.001 . . . . . . 43 C H2' . 6543 1 405 . 1 1 43 43 C H41 H 1 8.259 0.000 . . . . . . 43 C H41 . 6543 1 406 . 1 1 43 43 C H42 H 1 6.918 0.000 . . . . . . 43 C H42 . 6543 1 407 . 1 1 43 43 C C5 C 13 97.173 0.000 . . . . . . 43 C C5 . 6543 1 408 . 1 1 43 43 C C6 C 13 141.778 0.000 . . . . . . 43 C C6 . 6543 1 409 . 1 1 43 43 C N3 N 15 165.227 0.000 . . . . . . 43 C N3 . 6543 1 410 . 1 1 44 44 C H5 H 1 5.374 0.002 . . . . . . 44 C H5 . 6543 1 411 . 1 1 44 44 C H6 H 1 7.716 0.002 . . . . . . 44 C H6 . 6543 1 412 . 1 1 44 44 C H1' H 1 5.374 0.000 . . . . . . 44 C H1' . 6543 1 413 . 1 1 44 44 C H2' H 1 4.159 0.000 . . . . . . 44 C H2' . 6543 1 414 . 1 1 44 44 C C5 C 13 97.342 0.000 . . . . . . 44 C C5 . 6543 1 415 . 1 1 44 44 C C6 C 13 141.416 0.000 . . . . . . 44 C C6 . 6543 1 416 . 1 1 44 44 C N3 N 15 164.903 0.000 . . . . . . 44 C N3 . 6543 1 417 . 1 1 45 45 C H5 H 1 5.397 0.002 . . . . . . 45 C H5 . 6543 1 418 . 1 1 45 45 C H6 H 1 7.595 0.002 . . . . . . 45 C H6 . 6543 1 419 . 1 1 45 45 C H1' H 1 5.678 0.000 . . . . . . 45 C H1' . 6543 1 420 . 1 1 45 45 C H2' H 1 3.931 0.000 . . . . . . 45 C H2' . 6543 1 421 . 1 1 45 45 C C5 C 13 97.870 0.000 . . . . . . 45 C C5 . 6543 1 422 . 1 1 45 45 C C6 C 13 141.831 0.000 . . . . . . 45 C C6 . 6543 1 423 . 1 1 45 45 C N3 N 15 164.838 0.000 . . . . . . 45 C N3 . 6543 1 stop_ save_