data_6320 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6320 _Entry.Title ; 1H, 13C, 15N chemical shift assignments for extended 3' internal stem-loop RNA from S. cerevisiae U6 snRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-09-21 _Entry.Accession_date 2004-09-23 _Entry.Last_release_date 2004-11-16 _Entry.Original_release_date 2004-11-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Dipali Sashital . G. . 6320 2 Gabriel Cornilescu . . . 6320 3 Samuel Butcher . E. . 6320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 189 6320 '15N chemical shifts' 14 6320 '1H chemical shifts' 272 6320 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 . . 2004-11-16 2004-09-21 original author . 6320 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1XHP 'BMRB Entry Tracking System' 6320 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6320 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15543154 _Citation.Full_citation . _Citation.Title ; U2-U6 RNA folding reveals a group II intron-like domain and a four-helix junction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 12 _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 1237 _Citation.Page_last 1242 _Citation.Year 2004 _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 Dipali Sashital . G. . 6320 1 2 Gabriel Cornilescu . . . 6320 1 3 C. McManus . J. . 6320 1 4 D. Brow . A. . 6320 1 5 Samuel Butcher . E. . 6320 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Database Potentials' 6320 1 'Residual dipolar coupling' 6320 1 RNA 6320 1 'U2/U6 complex' 6320 1 'U6 ISL' 6320 1 'U6 snRNA' 6320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_U6_extended_ISL _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_U6_extended_ISL _Assembly.Entry_ID 6320 _Assembly.ID 1 _Assembly.Name 'U6 extended ISL' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 monomer 6320 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 'U6 extended ISL' 1 $U6_extended_ISL . . . native . . . . . 6320 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1XHP . . . . . '10 lowest energy structures out of 100 calculated' 6320 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'U6 extended ISL' abbreviation 6320 1 'U6 extended ISL' system 6320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U6_extended_ISL _Entity.Sf_category entity _Entity.Sf_framecode U6_extended_ISL _Entity.Entry_ID 6320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'U6 extended ISL' _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 ; GAGCAGUUCCCCUGCAUAAG GAUGAACCGUUC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'U6 extended ISL' abbreviation 6320 1 'U6 extended ISL' common 6320 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 . 6320 1 2 . A . 6320 1 3 . G . 6320 1 4 . C . 6320 1 5 . A . 6320 1 6 . G . 6320 1 7 . U . 6320 1 8 . U . 6320 1 9 . C . 6320 1 10 . C . 6320 1 11 . C . 6320 1 12 . C . 6320 1 13 . U . 6320 1 14 . G . 6320 1 15 . C . 6320 1 16 . A . 6320 1 17 . U . 6320 1 18 . A . 6320 1 19 . A . 6320 1 20 . G . 6320 1 21 . G . 6320 1 22 . A . 6320 1 23 . U . 6320 1 24 . G . 6320 1 25 . A . 6320 1 26 . A . 6320 1 27 . C . 6320 1 28 . C . 6320 1 29 . G . 6320 1 30 . U . 6320 1 31 . U . 6320 1 32 . C . 6320 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 6320 1 . A 2 2 6320 1 . G 3 3 6320 1 . C 4 4 6320 1 . A 5 5 6320 1 . G 6 6 6320 1 . U 7 7 6320 1 . U 8 8 6320 1 . C 9 9 6320 1 . C 10 10 6320 1 . C 11 11 6320 1 . C 12 12 6320 1 . U 13 13 6320 1 . G 14 14 6320 1 . C 15 15 6320 1 . A 16 16 6320 1 . U 17 17 6320 1 . A 18 18 6320 1 . A 19 19 6320 1 . G 20 20 6320 1 . G 21 21 6320 1 . A 22 22 6320 1 . U 23 23 6320 1 . G 24 24 6320 1 . A 25 25 6320 1 . A 26 26 6320 1 . C 27 27 6320 1 . C 28 28 6320 1 . G 29 29 6320 1 . U 30 30 6320 1 . U 31 31 6320 1 . C 32 32 6320 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 6320 _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 $U6_extended_ISL . 4932 orgnanism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6320 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 6320 _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 $U6_extended_ISL . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . ; Integrated DNA Technologies (IDT)" "In vitro transcription using purified T7 RNA polymerase and DNA oligonucleotides from IDT for templates. ; . . 6320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6320 _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 'U6 extended ISL' '[U-13C; U-15N]' . . 1 $U6_extended_ISL . . 1 0.5 1.5 mM . . . . 6320 1 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 6320 _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 6.9 0.1 pH 6320 1 temperature 283 1 K 6320 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 6320 _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 7.5 0.1 pH 6320 2 temperature 303 1 K 6320 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 6320 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.1 pH 6320 3 temperature 298 1 K 6320 3 stop_ save_ ############################ # Computer software used # ############################ save_software _Software.Sf_category software _Software.Sf_framecode software _Software.Entry_ID 6320 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.105 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6320 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6320 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 6320 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6320 _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 NMR_spectrometer_1 Bruker DMX . 600 Cryoprobe . . 6320 1 2 NMR_spectrometer_2 Varian Inova . 600 Cryoprobe . . 6320 1 3 NMR_spectrometer_3 Bruker DMX . 750 . . . 6320 1 4 NMR_spectrometer_4 Varian Inova . 800 Cryoprobe . . 6320 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 6320 _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 NOESY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6320 1 2 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6320 1 3 '3D [1H-13C-1H] NOESY HMQC' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6320 1 4 '3D [1H-13C-1H] HCCH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6320 1 5 '3D [1H-13C-1H] HCCH-COSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6320 1 6 'J-Modulated CT-HSQC' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 6320 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6320 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _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 1 _NMR_spec_expt.Software_label $software _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6320 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _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 1 _NMR_spec_expt.Software_label $software _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6320 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D [1H-13C-1H] NOESY HMQC' _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 1 _NMR_spec_expt.Software_label $software _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6320 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D [1H-13C-1H] HCCH-TOCSY' _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 1 _NMR_spec_expt.Software_label $software _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6320 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D [1H-13C-1H] HCCH-COSY' _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 1 _NMR_spec_expt.Software_label $software _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6320 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'J-Modulated CT-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 1 _NMR_spec_expt.Software_label $software _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6320 _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 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6320 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6320 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6320 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 6320 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 C1' C 13 90.36 1.000 . 1 . . . . . . . . 6320 1 2 . 1 1 1 1 G C2' C 13 72.67 1.000 . 1 . . . . . . . . 6320 1 3 . 1 1 1 1 G C3' C 13 73.27 1.000 . 1 . . . . . . . . 6320 1 4 . 1 1 1 1 G C4' C 13 81.99 1.000 . 1 . . . . . . . . 6320 1 5 . 1 1 1 1 G C5' C 13 64.30 1.000 . 1 . . . . . . . . 6320 1 6 . 1 1 1 1 G H1' H 1 5.737 0.020 . 1 . . . . . . . . 6320 1 7 . 1 1 1 1 G H2' H 1 4.872 0.024 . 1 . . . . . . . . 6320 1 8 . 1 1 1 1 G H3' H 1 4.826 0.016 . 1 . . . . . . . . 6320 1 9 . 1 1 1 1 G H4' H 1 4.571 0.019 . 1 . . . . . . . . 6320 1 10 . 1 1 1 1 G H5'' H 1 3.938 0.019 . 1 . . . . . . . . 6320 1 11 . 1 1 1 1 G H8 H 1 8.161 0.001 . 1 . . . . . . . . 6320 1 12 . 1 1 2 2 A C1' C 13 89.625 0.457 . 1 . . . . . . . . 6320 1 13 . 1 1 2 2 A C2 C 13 150.944 0.000 . 1 . . . . . . . . 6320 1 14 . 1 1 2 2 A C2' C 13 73.858 0.036 . 1 . . . . . . . . 6320 1 15 . 1 1 2 2 A C3' C 13 71.521 0.000 . 1 . . . . . . . . 6320 1 16 . 1 1 2 2 A C5' C 13 64.397 0.044 . 1 . . . . . . . . 6320 1 17 . 1 1 2 2 A C8 C 13 138.243 0.000 . 1 . . . . . . . . 6320 1 18 . 1 1 2 2 A H1' H 1 6.171 0.010 . 1 . . . . . . . . 6320 1 19 . 1 1 2 2 A H2 H 1 7.616 0.007 . 1 . . . . . . . . 6320 1 20 . 1 1 2 2 A H2' H 1 4.766 0.006 . 1 . . . . . . . . 6320 1 21 . 1 1 2 2 A H3' H 1 4.691 0.009 . 1 . . . . . . . . 6320 1 22 . 1 1 2 2 A H4' H 1 4.598 0.009 . 1 . . . . . . . . 6320 1 23 . 1 1 2 2 A H5' H 1 4.540 0.007 . 1 . . . . . . . . 6320 1 24 . 1 1 2 2 A H5'' H 1 4.400 0.005 . 1 . . . . . . . . 6320 1 25 . 1 1 2 2 A H8 H 1 8.184 0.003 . 1 . . . . . . . . 6320 1 26 . 1 1 3 3 G C1' C 13 90.966 0.509 . 1 . . . . . . . . 6320 1 27 . 1 1 3 3 G C2' C 13 73.338 0.302 . 1 . . . . . . . . 6320 1 28 . 1 1 3 3 G C3' C 13 71.344 0.000 . 1 . . . . . . . . 6320 1 29 . 1 1 3 3 G C4' C 13 80.439 0.000 . 1 . . . . . . . . 6320 1 30 . 1 1 3 3 G C5' C 13 64.230 0.019 . 1 . . . . . . . . 6320 1 31 . 1 1 3 3 G C8 C 13 134.150 0.000 . 1 . . . . . . . . 6320 1 32 . 1 1 3 3 G H1 H 1 11.741 0.041 . 1 . . . . . . . . 6320 1 33 . 1 1 3 3 G H1' H 1 5.608 0.021 . 1 . . . . . . . . 6320 1 34 . 1 1 3 3 G H2' H 1 4.545 0.043 . 1 . . . . . . . . 6320 1 35 . 1 1 3 3 G H22 H 1 6.453 0.004 . 1 . . . . . . . . 6320 1 36 . 1 1 3 3 G H3' H 1 4.161 0.017 . 1 . . . . . . . . 6320 1 37 . 1 1 3 3 G H4' H 1 4.506 0.007 . 1 . . . . . . . . 6320 1 38 . 1 1 3 3 G H5' H 1 4.374 0.029 . 1 . . . . . . . . 6320 1 39 . 1 1 3 3 G H5'' H 1 4.069 0.008 . 1 . . . . . . . . 6320 1 40 . 1 1 3 3 G H8 H 1 7.018 0.006 . 1 . . . . . . . . 6320 1 41 . 1 1 3 3 G N1 N 15 127.307 0.000 . 1 . . . . . . . . 6320 1 42 . 1 1 4 4 C C1' C 13 91.859 0.051 . 1 . . . . . . . . 6320 1 43 . 1 1 4 4 C C2' C 13 73.500 0.000 . 1 . . . . . . . . 6320 1 44 . 1 1 4 4 C C3' C 13 70.062 0.000 . 1 . . . . . . . . 6320 1 45 . 1 1 4 4 C C4' C 13 79.571 0.000 . 1 . . . . . . . . 6320 1 46 . 1 1 4 4 C C5' C 13 61.932 0.035 . 1 . . . . . . . . 6320 1 47 . 1 1 4 4 C C6 C 13 138.050 0.000 . 1 . . . . . . . . 6320 1 48 . 1 1 4 4 C H1' H 1 5.495 0.008 . 1 . . . . . . . . 6320 1 49 . 1 1 4 4 C H2' H 1 4.479 0.033 . 1 . . . . . . . . 6320 1 50 . 1 1 4 4 C H3' H 1 4.522 0.011 . 1 . . . . . . . . 6320 1 51 . 1 1 4 4 C H4' H 1 4.388 0.017 . 1 . . . . . . . . 6320 1 52 . 1 1 4 4 C H41 H 1 8.320 0.001 . 1 . . . . . . . . 6320 1 53 . 1 1 4 4 C H42 H 1 7.089 0.000 . 1 . . . . . . . . 6320 1 54 . 1 1 4 4 C H5 H 1 5.252 0.006 . 1 . . . . . . . . 6320 1 55 . 1 1 4 4 C H5' H 1 4.461 0.044 . 1 . . . . . . . . 6320 1 56 . 1 1 4 4 C H5'' H 1 4.114 0.029 . 1 . . . . . . . . 6320 1 57 . 1 1 4 4 C H6 H 1 7.501 0.035 . 1 . . . . . . . . 6320 1 58 . 1 1 4 4 C N3 N 15 178.853 0.000 . 1 . . . . . . . . 6320 1 59 . 1 1 5 5 A C1' C 13 89.939 0.560 . 1 . . . . . . . . 6320 1 60 . 1 1 5 5 A C2 C 13 150.828 0.000 . 1 . . . . . . . . 6320 1 61 . 1 1 5 5 A C2' C 13 73.959 0.000 . 1 . . . . . . . . 6320 1 62 . 1 1 5 5 A C3' C 13 71.302 0.000 . 1 . . . . . . . . 6320 1 63 . 1 1 5 5 A C4' C 13 80.336 0.000 . 1 . . . . . . . . 6320 1 64 . 1 1 5 5 A C5' C 13 63.834 0.038 . 1 . . . . . . . . 6320 1 65 . 1 1 5 5 A C8 C 13 138.590 0.000 . 1 . . . . . . . . 6320 1 66 . 1 1 5 5 A H1' H 1 6.009 0.018 . 1 . . . . . . . . 6320 1 67 . 1 1 5 5 A H2 H 1 7.573 0.048 . 1 . . . . . . . . 6320 1 68 . 1 1 5 5 A H2' H 1 4.718 0.013 . 1 . . . . . . . . 6320 1 69 . 1 1 5 5 A H3' H 1 4.580 0.014 . 1 . . . . . . . . 6320 1 70 . 1 1 5 5 A H4' H 1 4.496 0.046 . 1 . . . . . . . . 6320 1 71 . 1 1 5 5 A H5' H 1 4.399 0.049 . 1 . . . . . . . . 6320 1 72 . 1 1 5 5 A H5'' H 1 4.138 0.004 . 1 . . . . . . . . 6320 1 73 . 1 1 5 5 A H8 H 1 8.047 0.026 . 1 . . . . . . . . 6320 1 74 . 1 1 6 6 G C1' C 13 90.931 0.188 . 1 . . . . . . . . 6320 1 75 . 1 1 6 6 G C2' C 13 72.918 0.045 . 1 . . . . . . . . 6320 1 76 . 1 1 6 6 G C3' C 13 71.160 0.054 . 1 . . . . . . . . 6320 1 77 . 1 1 6 6 G C4' C 13 80.390 0.046 . 1 . . . . . . . . 6320 1 78 . 1 1 6 6 G C5' C 13 64.072 0.008 . 1 . . . . . . . . 6320 1 79 . 1 1 6 6 G C8 C 13 133.729 0.000 . 1 . . . . . . . . 6320 1 80 . 1 1 6 6 G H1 H 1 13.407 0.001 . 1 . . . . . . . . 6320 1 81 . 1 1 6 6 G H1' H 1 5.539 0.020 . 1 . . . . . . . . 6320 1 82 . 1 1 6 6 G H2' H 1 4.501 0.015 . 1 . . . . . . . . 6320 1 83 . 1 1 6 6 G H21 H 1 8.723 0.000 . 1 . . . . . . . . 6320 1 84 . 1 1 6 6 G H22 H 1 6.603 0.000 . 1 . . . . . . . . 6320 1 85 . 1 1 6 6 G H3' H 1 4.350 0.015 . 1 . . . . . . . . 6320 1 86 . 1 1 6 6 G H4' H 1 4.483 0.008 . 1 . . . . . . . . 6320 1 87 . 1 1 6 6 G H5' H 1 4.393 0.000 . 1 . . . . . . . . 6320 1 88 . 1 1 6 6 G H5'' H 1 4.062 0.015 . 1 . . . . . . . . 6320 1 89 . 1 1 6 6 G H8 H 1 6.996 0.037 . 1 . . . . . . . . 6320 1 90 . 1 1 6 6 G N1 N 15 130.811 0.000 . 1 . . . . . . . . 6320 1 91 . 1 1 7 7 U C1' C 13 91.662 0.083 . 1 . . . . . . . . 6320 1 92 . 1 1 7 7 U C2' C 13 73.301 0.031 . 1 . . . . . . . . 6320 1 93 . 1 1 7 7 U C3' C 13 70.152 0.000 . 1 . . . . . . . . 6320 1 94 . 1 1 7 7 U C4' C 13 80.075 0.000 . 1 . . . . . . . . 6320 1 95 . 1 1 7 7 U C5' C 13 62.237 0.033 . 1 . . . . . . . . 6320 1 96 . 1 1 7 7 U C6 C 13 141.275 0.000 . 1 . . . . . . . . 6320 1 97 . 1 1 7 7 U H1' H 1 5.572 0.010 . 1 . . . . . . . . 6320 1 98 . 1 1 7 7 U H2' H 1 4.514 0.020 . 1 . . . . . . . . 6320 1 99 . 1 1 7 7 U H3 H 1 14.393 0.011 . 1 . . . . . . . . 6320 1 100 . 1 1 7 7 U H3' H 1 4.489 0.002 . 1 . . . . . . . . 6320 1 101 . 1 1 7 7 U H4' H 1 4.454 0.008 . 1 . . . . . . . . 6320 1 102 . 1 1 7 7 U H5 H 1 4.997 0.019 . 1 . . . . . . . . 6320 1 103 . 1 1 7 7 U H5' H 1 4.566 0.003 . 1 . . . . . . . . 6320 1 104 . 1 1 7 7 U H5'' H 1 4.108 0.004 . 1 . . . . . . . . 6320 1 105 . 1 1 7 7 U H6 H 1 7.799 0.006 . 1 . . . . . . . . 6320 1 106 . 1 1 7 7 U N3 N 15 162.417 0.000 . 1 . . . . . . . . 6320 1 107 . 1 1 8 8 U C1' C 13 91.494 0.017 . 1 . . . . . . . . 6320 1 108 . 1 1 8 8 U C2' C 13 73.249 0.019 . 1 . . . . . . . . 6320 1 109 . 1 1 8 8 U C3' C 13 70.248 0.048 . 1 . . . . . . . . 6320 1 110 . 1 1 8 8 U C4' C 13 79.814 0.000 . 1 . . . . . . . . 6320 1 111 . 1 1 8 8 U C5' C 13 62.438 0.038 . 1 . . . . . . . . 6320 1 112 . 1 1 8 8 U C6 C 13 140.284 0.000 . 1 . . . . . . . . 6320 1 113 . 1 1 8 8 U H1' H 1 5.703 0.015 . 1 . . . . . . . . 6320 1 114 . 1 1 8 8 U H2' H 1 4.523 0.030 . 1 . . . . . . . . 6320 1 115 . 1 1 8 8 U H3 H 1 13.773 0.007 . 1 . . . . . . . . 6320 1 116 . 1 1 8 8 U H3' H 1 4.555 0.004 . 1 . . . . . . . . 6320 1 117 . 1 1 8 8 U H4' H 1 4.491 0.004 . 1 . . . . . . . . 6320 1 118 . 1 1 8 8 U H5 H 1 5.608 0.014 . 1 . . . . . . . . 6320 1 119 . 1 1 8 8 U H5' H 1 4.582 0.007 . 1 . . . . . . . . 6320 1 120 . 1 1 8 8 U H5'' H 1 4.145 0.002 . 1 . . . . . . . . 6320 1 121 . 1 1 8 8 U H6 H 1 8.044 0.011 . 1 . . . . . . . . 6320 1 122 . 1 1 8 8 U N3 N 15 162.371 0.000 . 1 . . . . . . . . 6320 1 123 . 1 1 9 9 C C1' C 13 91.363 0.189 . 1 . . . . . . . . 6320 1 124 . 1 1 9 9 C C2' C 13 73.487 0.186 . 1 . . . . . . . . 6320 1 125 . 1 1 9 9 C C3' C 13 70.418 0.000 . 1 . . . . . . . . 6320 1 126 . 1 1 9 9 C C4' C 13 80.049 0.000 . 1 . . . . . . . . 6320 1 127 . 1 1 9 9 C C5' C 13 62.679 0.052 . 1 . . . . . . . . 6320 1 128 . 1 1 9 9 C C6 C 13 139.369 0.000 . 1 . . . . . . . . 6320 1 129 . 1 1 9 9 C H1' H 1 5.613 0.010 . 1 . . . . . . . . 6320 1 130 . 1 1 9 9 C H2' H 1 4.279 0.010 . 1 . . . . . . . . 6320 1 131 . 1 1 9 9 C H3' H 1 4.472 0.014 . 1 . . . . . . . . 6320 1 132 . 1 1 9 9 C H4' H 1 4.462 0.004 . 1 . . . . . . . . 6320 1 133 . 1 1 9 9 C H41 H 1 8.428 0.002 . 1 . . . . . . . . 6320 1 134 . 1 1 9 9 C H42 H 1 7.146 0.003 . 1 . . . . . . . . 6320 1 135 . 1 1 9 9 C H5 H 1 5.717 0.008 . 1 . . . . . . . . 6320 1 136 . 1 1 9 9 C H5' H 1 4.568 0.015 . 1 . . . . . . . . 6320 1 137 . 1 1 9 9 C H5'' H 1 4.156 0.008 . 1 . . . . . . . . 6320 1 138 . 1 1 9 9 C H6 H 1 7.881 0.014 . 1 . . . . . . . . 6320 1 139 . 1 1 9 9 C N3 N 15 179.826 0.000 . 1 . . . . . . . . 6320 1 140 . 1 1 10 10 C C1' C 13 91.844 0.024 . 1 . . . . . . . . 6320 1 141 . 1 1 10 10 C C2' C 13 73.938 0.053 . 1 . . . . . . . . 6320 1 142 . 1 1 10 10 C C3' C 13 70.169 0.000 . 1 . . . . . . . . 6320 1 143 . 1 1 10 10 C C4' C 13 80.059 0.000 . 1 . . . . . . . . 6320 1 144 . 1 1 10 10 C C5' C 13 62.386 0.093 . 1 . . . . . . . . 6320 1 145 . 1 1 10 10 C C6 C 13 138.641 0.000 . 1 . . . . . . . . 6320 1 146 . 1 1 10 10 C H1' H 1 5.695 0.011 . 1 . . . . . . . . 6320 1 147 . 1 1 10 10 C H2' H 1 4.149 0.008 . 1 . . . . . . . . 6320 1 148 . 1 1 10 10 C H3' H 1 4.614 0.009 . 1 . . . . . . . . 6320 1 149 . 1 1 10 10 C H4' H 1 4.375 0.008 . 1 . . . . . . . . 6320 1 150 . 1 1 10 10 C H5 H 1 5.664 0.005 . 1 . . . . . . . . 6320 1 151 . 1 1 10 10 C H5' H 1 4.507 0.000 . 1 . . . . . . . . 6320 1 152 . 1 1 10 10 C H5'' H 1 4.122 0.004 . 1 . . . . . . . . 6320 1 153 . 1 1 10 10 C H6 H 1 7.781 0.004 . 1 . . . . . . . . 6320 1 154 . 1 1 11 11 C C1' C 13 91.951 0.146 . 1 . . . . . . . . 6320 1 155 . 1 1 11 11 C C2' C 13 73.016 0.016 . 1 . . . . . . . . 6320 1 156 . 1 1 11 11 C C3' C 13 70.074 0.088 . 1 . . . . . . . . 6320 1 157 . 1 1 11 11 C C4' C 13 80.100 0.000 . 1 . . . . . . . . 6320 1 158 . 1 1 11 11 C C5 C 13 95.450 0.000 . 1 . . . . . . . . 6320 1 159 . 1 1 11 11 C C5' C 13 62.162 0.009 . 1 . . . . . . . . 6320 1 160 . 1 1 11 11 C C6 C 13 139.990 0.000 . 1 . . . . . . . . 6320 1 161 . 1 1 11 11 C H1' H 1 5.420 0.008 . 1 . . . . . . . . 6320 1 162 . 1 1 11 11 C H2' H 1 4.403 0.011 . 1 . . . . . . . . 6320 1 163 . 1 1 11 11 C H3' H 1 4.530 0.007 . 1 . . . . . . . . 6320 1 164 . 1 1 11 11 C H4' H 1 4.426 0.009 . 1 . . . . . . . . 6320 1 165 . 1 1 11 11 C H41 H 1 8.469 0.000 . 1 . . . . . . . . 6320 1 166 . 1 1 11 11 C H5 H 1 5.730 0.008 . 1 . . . . . . . . 6320 1 167 . 1 1 11 11 C H5' H 1 4.466 0.035 . 1 . . . . . . . . 6320 1 168 . 1 1 11 11 C H5'' H 1 4.106 0.009 . 1 . . . . . . . . 6320 1 169 . 1 1 11 11 C H6 H 1 7.914 0.002 . 1 . . . . . . . . 6320 1 170 . 1 1 11 11 C N3 N 15 181.162 0.000 . 1 . . . . . . . . 6320 1 171 . 1 1 12 12 C C1' C 13 91.978 0.099 . 1 . . . . . . . . 6320 1 172 . 1 1 12 12 C C2' C 13 73.398 0.081 . 1 . . . . . . . . 6320 1 173 . 1 1 12 12 C C3' C 13 69.959 0.016 . 1 . . . . . . . . 6320 1 174 . 1 1 12 12 C C4' C 13 79.914 0.034 . 1 . . . . . . . . 6320 1 175 . 1 1 12 12 C C5' C 13 62.088 0.005 . 1 . . . . . . . . 6320 1 176 . 1 1 12 12 C C6 C 13 139.766 0.000 . 1 . . . . . . . . 6320 1 177 . 1 1 12 12 C H1' H 1 5.396 0.007 . 1 . . . . . . . . 6320 1 178 . 1 1 12 12 C H2' H 1 4.300 0.007 . 1 . . . . . . . . 6320 1 179 . 1 1 12 12 C H3' H 1 4.493 0.009 . 1 . . . . . . . . 6320 1 180 . 1 1 12 12 C H4' H 1 4.373 0.007 . 1 . . . . . . . . 6320 1 181 . 1 1 12 12 C H41 H 1 8.454 0.005 . 1 . . . . . . . . 6320 1 182 . 1 1 12 12 C H42 H 1 6.975 0.004 . 1 . . . . . . . . 6320 1 183 . 1 1 12 12 C H5 H 1 5.544 0.004 . 1 . . . . . . . . 6320 1 184 . 1 1 12 12 C H5' H 1 4.561 0.007 . 1 . . . . . . . . 6320 1 185 . 1 1 12 12 C H5'' H 1 4.081 0.009 . 1 . . . . . . . . 6320 1 186 . 1 1 12 12 C H6 H 1 7.779 0.004 . 1 . . . . . . . . 6320 1 187 . 1 1 12 12 C N1 N 15 178.834 0.000 . 1 . . . . . . . . 6320 1 188 . 1 1 13 13 U C1' C 13 91.331 0.000 . 1 . . . . . . . . 6320 1 189 . 1 1 13 13 U C2' C 13 73.614 0.025 . 1 . . . . . . . . 6320 1 190 . 1 1 13 13 U C3' C 13 70.141 0.000 . 1 . . . . . . . . 6320 1 191 . 1 1 13 13 U C4' C 13 79.905 0.001 . 1 . . . . . . . . 6320 1 192 . 1 1 13 13 U C5' C 13 62.279 0.012 . 1 . . . . . . . . 6320 1 193 . 1 1 13 13 U C6 C 13 138.717 0.000 . 1 . . . . . . . . 6320 1 194 . 1 1 13 13 U H1' H 1 5.591 0.019 . 1 . . . . . . . . 6320 1 195 . 1 1 13 13 U H2' H 1 4.492 0.011 . 1 . . . . . . . . 6320 1 196 . 1 1 13 13 U H3 H 1 13.652 0.003 . 1 . . . . . . . . 6320 1 197 . 1 1 13 13 U H3' H 1 4.469 0.008 . 1 . . . . . . . . 6320 1 198 . 1 1 13 13 U H4' H 1 4.374 0.003 . 1 . . . . . . . . 6320 1 199 . 1 1 13 13 U H5 H 1 5.314 0.003 . 1 . . . . . . . . 6320 1 200 . 1 1 13 13 U H5' H 1 4.505 0.010 . 1 . . . . . . . . 6320 1 201 . 1 1 13 13 U H5'' H 1 4.100 0.004 . 1 . . . . . . . . 6320 1 202 . 1 1 13 13 U H6 H 1 7.626 0.008 . 1 . . . . . . . . 6320 1 203 . 1 1 14 14 G C1' C 13 90.569 0.000 . 1 . . . . . . . . 6320 1 204 . 1 1 14 14 G C2' C 13 73.177 0.059 . 1 . . . . . . . . 6320 1 205 . 1 1 14 14 G C3' C 13 71.385 0.007 . 1 . . . . . . . . 6320 1 206 . 1 1 14 14 G C4' C 13 80.794 0.033 . 1 . . . . . . . . 6320 1 207 . 1 1 14 14 G C5' C 13 63.552 0.044 . 1 . . . . . . . . 6320 1 208 . 1 1 14 14 G C8 C 13 135.063 0.000 . 1 . . . . . . . . 6320 1 209 . 1 1 14 14 G H1' H 1 5.571 0.005 . 1 . . . . . . . . 6320 1 210 . 1 1 14 14 G H2' H 1 4.437 0.007 . 1 . . . . . . . . 6320 1 211 . 1 1 14 14 G H3' H 1 4.561 0.013 . 1 . . . . . . . . 6320 1 212 . 1 1 14 14 G H4' H 1 4.431 0.006 . 1 . . . . . . . . 6320 1 213 . 1 1 14 14 G H5' H 1 4.367 0.008 . 1 . . . . . . . . 6320 1 214 . 1 1 14 14 G H5'' H 1 4.095 0.019 . 1 . . . . . . . . 6320 1 215 . 1 1 14 14 G H8 H 1 7.686 0.008 . 1 . . . . . . . . 6320 1 216 . 1 1 15 15 C C1' C 13 90.168 0.154 . 1 . . . . . . . . 6320 1 217 . 1 1 15 15 C C2' C 13 73.527 0.000 . 1 . . . . . . . . 6320 1 218 . 1 1 15 15 C C3' C 13 72.452 0.000 . 1 . . . . . . . . 6320 1 219 . 1 1 15 15 C C4' C 13 81.058 0.069 . 1 . . . . . . . . 6320 1 220 . 1 1 15 15 C C5 C 13 95.750 0.000 . 1 . . . . . . . . 6320 1 221 . 1 1 15 15 C C5' C 13 63.318 0.004 . 1 . . . . . . . . 6320 1 222 . 1 1 15 15 C C6 C 13 140.230 0.000 . 1 . . . . . . . . 6320 1 223 . 1 1 15 15 C H1' H 1 5.288 0.006 . 1 . . . . . . . . 6320 1 224 . 1 1 15 15 C H2' H 1 3.913 0.010 . 1 . . . . . . . . 6320 1 225 . 1 1 15 15 C H3' H 1 4.219 0.010 . 1 . . . . . . . . 6320 1 226 . 1 1 15 15 C H4' H 1 3.882 0.008 . 1 . . . . . . . . 6320 1 227 . 1 1 15 15 C H5 H 1 5.511 0.006 . 1 . . . . . . . . 6320 1 228 . 1 1 15 15 C H5' H 1 4.092 0.001 . 1 . . . . . . . . 6320 1 229 . 1 1 15 15 C H5'' H 1 3.887 0.018 . 1 . . . . . . . . 6320 1 230 . 1 1 15 15 C H6 H 1 7.479 0.003 . 1 . . . . . . . . 6320 1 231 . 1 1 16 16 A C1' C 13 87.620 0.071 . 1 . . . . . . . . 6320 1 232 . 1 1 16 16 A C2 C 13 152.853 0.000 . 1 . . . . . . . . 6320 1 233 . 1 1 16 16 A C2' C 13 75.073 0.035 . 1 . . . . . . . . 6320 1 234 . 1 1 16 16 A C3' C 13 73.984 0.029 . 1 . . . . . . . . 6320 1 235 . 1 1 16 16 A C4' C 13 83.262 0.095 . 1 . . . . . . . . 6320 1 236 . 1 1 16 16 A C5' C 13 64.881 0.016 . 1 . . . . . . . . 6320 1 237 . 1 1 16 16 A C8 C 13 139.742 0.000 . 1 . . . . . . . . 6320 1 238 . 1 1 16 16 A H1' H 1 5.964 0.011 . 1 . . . . . . . . 6320 1 239 . 1 1 16 16 A H2 H 1 8.034 0.012 . 1 . . . . . . . . 6320 1 240 . 1 1 16 16 A H2' H 1 4.728 0.009 . 1 . . . . . . . . 6320 1 241 . 1 1 16 16 A H3' H 1 4.728 0.003 . 1 . . . . . . . . 6320 1 242 . 1 1 16 16 A H4' H 1 4.414 0.007 . 1 . . . . . . . . 6320 1 243 . 1 1 16 16 A H5' H 1 4.103 0.001 . 1 . . . . . . . . 6320 1 244 . 1 1 16 16 A H5'' H 1 3.965 0.001 . 1 . . . . . . . . 6320 1 245 . 1 1 16 16 A H8 H 1 8.226 0.003 . 1 . . . . . . . . 6320 1 246 . 1 1 17 17 U C1' C 13 88.733 0.007 . 1 . . . . . . . . 6320 1 247 . 1 1 17 17 U C2' C 13 73.497 0.007 . 1 . . . . . . . . 6320 1 248 . 1 1 17 17 U C3' C 13 74.218 0.019 . 1 . . . . . . . . 6320 1 249 . 1 1 17 17 U C4' C 13 82.448 0.000 . 1 . . . . . . . . 6320 1 250 . 1 1 17 17 U C5' C 13 65.305 0.040 . 1 . . . . . . . . 6320 1 251 . 1 1 17 17 U C6 C 13 141.562 0.000 . 1 . . . . . . . . 6320 1 252 . 1 1 17 17 U H1' H 1 5.913 0.011 . 1 . . . . . . . . 6320 1 253 . 1 1 17 17 U H2' H 1 4.441 0.005 . 1 . . . . . . . . 6320 1 254 . 1 1 17 17 U H3' H 1 4.707 0.005 . 1 . . . . . . . . 6320 1 255 . 1 1 17 17 U H4' H 1 4.462 0.005 . 1 . . . . . . . . 6320 1 256 . 1 1 17 17 U H5 H 1 5.860 0.003 . 1 . . . . . . . . 6320 1 257 . 1 1 17 17 U H5' H 1 4.202 0.010 . 1 . . . . . . . . 6320 1 258 . 1 1 17 17 U H5'' H 1 4.215 0.000 . 1 . . . . . . . . 6320 1 259 . 1 1 17 17 U H6 H 1 7.801 0.002 . 1 . . . . . . . . 6320 1 260 . 1 1 18 18 A C1' C 13 89.205 0.080 . 1 . . . . . . . . 6320 1 261 . 1 1 18 18 A C2 C 13 153.090 0.000 . 1 . . . . . . . . 6320 1 262 . 1 1 18 18 A C2' C 13 73.807 0.027 . 1 . . . . . . . . 6320 1 263 . 1 1 18 18 A C4' C 13 81.499 0.095 . 1 . . . . . . . . 6320 1 264 . 1 1 18 18 A C5' C 13 65.637 0.037 . 1 . . . . . . . . 6320 1 265 . 1 1 18 18 A C8 C 13 139.005 0.000 . 1 . . . . . . . . 6320 1 266 . 1 1 18 18 A H1' H 1 5.947 0.009 . 1 . . . . . . . . 6320 1 267 . 1 1 18 18 A H2 H 1 8.121 0.004 . 1 . . . . . . . . 6320 1 268 . 1 1 18 18 A H2' H 1 4.868 0.005 . 1 . . . . . . . . 6320 1 269 . 1 1 18 18 A H4' H 1 4.646 0.000 . 1 . . . . . . . . 6320 1 270 . 1 1 18 18 A H5' H 1 4.373 0.000 . 1 . . . . . . . . 6320 1 271 . 1 1 18 18 A H5'' H 1 4.245 0.000 . 1 . . . . . . . . 6320 1 272 . 1 1 18 18 A H8 H 1 8.024 0.031 . 1 . . . . . . . . 6320 1 273 . 1 1 19 19 A C1' C 13 90.304 0.138 . 1 . . . . . . . . 6320 1 274 . 1 1 19 19 A C2 C 13 150.960 0.000 . 1 . . . . . . . . 6320 1 275 . 1 1 19 19 A C2' C 13 73.294 0.012 . 1 . . . . . . . . 6320 1 276 . 1 1 19 19 A C3' C 13 71.952 0.028 . 1 . . . . . . . . 6320 1 277 . 1 1 19 19 A C4' C 13 80.391 0.000 . 1 . . . . . . . . 6320 1 278 . 1 1 19 19 A C5' C 13 65.168 0.001 . 1 . . . . . . . . 6320 1 279 . 1 1 19 19 A C8 C 13 138.051 0.000 . 1 . . . . . . . . 6320 1 280 . 1 1 19 19 A H1' H 1 5.391 0.018 . 1 . . . . . . . . 6320 1 281 . 1 1 19 19 A H2 H 1 7.614 0.022 . 1 . . . . . . . . 6320 1 282 . 1 1 19 19 A H2' H 1 4.670 0.002 . 1 . . . . . . . . 6320 1 283 . 1 1 19 19 A H3' H 1 4.480 0.002 . 1 . . . . . . . . 6320 1 284 . 1 1 19 19 A H4' H 1 4.478 0.003 . 1 . . . . . . . . 6320 1 285 . 1 1 19 19 A H5' H 1 4.381 0.001 . 1 . . . . . . . . 6320 1 286 . 1 1 19 19 A H5'' H 1 4.298 0.004 . 1 . . . . . . . . 6320 1 287 . 1 1 19 19 A H61 H 1 7.602 0.000 . 1 . . . . . . . . 6320 1 288 . 1 1 19 19 A H62 H 1 6.666 0.000 . 1 . . . . . . . . 6320 1 289 . 1 1 19 19 A H8 H 1 8.031 0.011 . 1 . . . . . . . . 6320 1 290 . 1 1 20 20 G C1' C 13 88.129 0.000 . 1 . . . . . . . . 6320 1 291 . 1 1 20 20 G C4' C 13 80.709 0.001 . 1 . . . . . . . . 6320 1 292 . 1 1 20 20 G C5' C 13 65.439 0.120 . 1 . . . . . . . . 6320 1 293 . 1 1 20 20 G C8 C 13 133.757 0.000 . 1 . . . . . . . . 6320 1 294 . 1 1 20 20 G H1 H 1 12.779 0.039 . 1 . . . . . . . . 6320 1 295 . 1 1 20 20 G H1' H 1 5.596 0.021 . 1 . . . . . . . . 6320 1 296 . 1 1 20 20 G H2' H 1 4.505 0.000 . 1 . . . . . . . . 6320 1 297 . 1 1 20 20 G H21 H 1 8.456 0.000 . 1 . . . . . . . . 6320 1 298 . 1 1 20 20 G H22 H 1 6.154 0.000 . 1 . . . . . . . . 6320 1 299 . 1 1 20 20 G H4' H 1 4.446 0.008 . 1 . . . . . . . . 6320 1 300 . 1 1 20 20 G H5' H 1 4.210 0.000 . 1 . . . . . . . . 6320 1 301 . 1 1 20 20 G H5'' H 1 4.050 0.004 . 1 . . . . . . . . 6320 1 302 . 1 1 20 20 G H8 H 1 7.094 0.005 . 1 . . . . . . . . 6320 1 303 . 1 1 20 20 G N1 N 15 129.391 0.000 . 1 . . . . . . . . 6320 1 304 . 1 1 21 21 G C1' C 13 90.606 0.103 . 1 . . . . . . . . 6320 1 305 . 1 1 21 21 G C2' C 13 73.591 0.000 . 1 . . . . . . . . 6320 1 306 . 1 1 21 21 G C3' C 13 70.735 0.000 . 1 . . . . . . . . 6320 1 307 . 1 1 21 21 G C4' C 13 79.983 0.000 . 1 . . . . . . . . 6320 1 308 . 1 1 21 21 G C5' C 13 62.834 0.007 . 1 . . . . . . . . 6320 1 309 . 1 1 21 21 G C8 C 13 134.158 0.000 . 1 . . . . . . . . 6320 1 310 . 1 1 21 21 G H1 H 1 12.742 0.044 . 1 . . . . . . . . 6320 1 311 . 1 1 21 21 G H1' H 1 5.730 0.011 . 1 . . . . . . . . 6320 1 312 . 1 1 21 21 G H2' H 1 4.471 0.010 . 1 . . . . . . . . 6320 1 313 . 1 1 21 21 G H21 H 1 7.688 0.000 . 1 . . . . . . . . 6320 1 314 . 1 1 21 21 G H22 H 1 6.035 0.000 . 1 . . . . . . . . 6320 1 315 . 1 1 21 21 G H3' H 1 4.519 0.008 . 1 . . . . . . . . 6320 1 316 . 1 1 21 21 G H4' H 1 4.424 0.009 . 1 . . . . . . . . 6320 1 317 . 1 1 21 21 G H5' H 1 4.501 0.013 . 1 . . . . . . . . 6320 1 318 . 1 1 21 21 G H5'' H 1 4.062 0.010 . 1 . . . . . . . . 6320 1 319 . 1 1 21 21 G H8 H 1 7.215 0.011 . 1 . . . . . . . . 6320 1 320 . 1 1 21 21 G N1 N 15 130.228 0.000 . 1 . . . . . . . . 6320 1 321 . 1 1 22 22 A C1' C 13 89.623 0.677 . 1 . . . . . . . . 6320 1 322 . 1 1 22 22 A C2 C 13 151.510 0.000 . 1 . . . . . . . . 6320 1 323 . 1 1 22 22 A C2' C 13 73.537 0.031 . 1 . . . . . . . . 6320 1 324 . 1 1 22 22 A C3' C 13 71.716 0.000 . 1 . . . . . . . . 6320 1 325 . 1 1 22 22 A C4' C 13 80.670 0.000 . 1 . . . . . . . . 6320 1 326 . 1 1 22 22 A C5' C 13 64.169 0.015 . 1 . . . . . . . . 6320 1 327 . 1 1 22 22 A C8 C 13 138.477 0.000 . 1 . . . . . . . . 6320 1 328 . 1 1 22 22 A H1' H 1 5.919 0.010 . 1 . . . . . . . . 6320 1 329 . 1 1 22 22 A H2 H 1 7.778 0.018 . 1 . . . . . . . . 6320 1 330 . 1 1 22 22 A H2' H 1 4.459 0.010 . 1 . . . . . . . . 6320 1 331 . 1 1 22 22 A H3' H 1 4.330 0.002 . 1 . . . . . . . . 6320 1 332 . 1 1 22 22 A H4' H 1 4.470 0.000 . 1 . . . . . . . . 6320 1 333 . 1 1 22 22 A H5' H 1 4.392 0.006 . 1 . . . . . . . . 6320 1 334 . 1 1 22 22 A H5'' H 1 4.047 0.003 . 1 . . . . . . . . 6320 1 335 . 1 1 22 22 A H8 H 1 7.696 0.005 . 1 . . . . . . . . 6320 1 336 . 1 1 23 23 U C1' C 13 90.522 0.000 . 1 . . . . . . . . 6320 1 337 . 1 1 23 23 U C2' C 13 73.335 0.000 . 1 . . . . . . . . 6320 1 338 . 1 1 23 23 U C3' C 13 71.531 0.000 . 1 . . . . . . . . 6320 1 339 . 1 1 23 23 U C4' C 13 80.611 0.000 . 1 . . . . . . . . 6320 1 340 . 1 1 23 23 U C5' C 13 63.437 0.009 . 1 . . . . . . . . 6320 1 341 . 1 1 23 23 U H1' H 1 5.275 0.009 . 1 . . . . . . . . 6320 1 342 . 1 1 23 23 U H2' H 1 4.079 0.003 . 1 . . . . . . . . 6320 1 343 . 1 1 23 23 U H3' H 1 4.354 0.004 . 1 . . . . . . . . 6320 1 344 . 1 1 23 23 U H4' H 1 4.313 0.005 . 1 . . . . . . . . 6320 1 345 . 1 1 23 23 U H5 H 1 5.168 0.002 . 1 . . . . . . . . 6320 1 346 . 1 1 23 23 U H5' H 1 4.326 0.006 . 1 . . . . . . . . 6320 1 347 . 1 1 23 23 U H5'' H 1 4.017 0.002 . 1 . . . . . . . . 6320 1 348 . 1 1 23 23 U H6 H 1 7.259 0.003 . 1 . . . . . . . . 6320 1 349 . 1 1 24 24 G C1' C 13 88.324 0.039 . 1 . . . . . . . . 6320 1 350 . 1 1 24 24 G C2' C 13 72.879 0.003 . 1 . . . . . . . . 6320 1 351 . 1 1 24 24 G C3' C 13 73.231 0.000 . 1 . . . . . . . . 6320 1 352 . 1 1 24 24 G C4' C 13 81.199 0.000 . 1 . . . . . . . . 6320 1 353 . 1 1 24 24 G C5' C 13 64.136 0.008 . 1 . . . . . . . . 6320 1 354 . 1 1 24 24 G C8 C 13 134.786 0.000 . 1 . . . . . . . . 6320 1 355 . 1 1 24 24 G H1 H 1 12.519 0.026 . 1 . . . . . . . . 6320 1 356 . 1 1 24 24 G H1' H 1 5.750 0.012 . 1 . . . . . . . . 6320 1 357 . 1 1 24 24 G H2' H 1 4.744 0.027 . 1 . . . . . . . . 6320 1 358 . 1 1 24 24 G H21 H 1 8.035 0.000 . 1 . . . . . . . . 6320 1 359 . 1 1 24 24 G H3' H 1 4.626 0.005 . 1 . . . . . . . . 6320 1 360 . 1 1 24 24 G H4' H 1 4.489 0.008 . 1 . . . . . . . . 6320 1 361 . 1 1 24 24 G H5' H 1 4.342 0.000 . 1 . . . . . . . . 6320 1 362 . 1 1 24 24 G H5'' H 1 4.117 0.014 . 1 . . . . . . . . 6320 1 363 . 1 1 24 24 G H8 H 1 7.689 0.008 . 1 . . . . . . . . 6320 1 364 . 1 1 24 24 G N1 N 15 129.679 0.000 . 1 . . . . . . . . 6320 1 365 . 1 1 25 25 A C1' C 13 90.543 0.076 . 1 . . . . . . . . 6320 1 366 . 1 1 25 25 A C2 C 13 150.668 0.000 . 1 . . . . . . . . 6320 1 367 . 1 1 25 25 A C2' C 13 73.433 0.014 . 1 . . . . . . . . 6320 1 368 . 1 1 25 25 A C3' C 13 73.947 0.000 . 1 . . . . . . . . 6320 1 369 . 1 1 25 25 A C4' C 13 80.873 0.000 . 1 . . . . . . . . 6320 1 370 . 1 1 25 25 A C5' C 13 64.875 0.063 . 1 . . . . . . . . 6320 1 371 . 1 1 25 25 A C8 C 13 137.878 0.000 . 1 . . . . . . . . 6320 1 372 . 1 1 25 25 A H1' H 1 5.945 0.014 . 1 . . . . . . . . 6320 1 373 . 1 1 25 25 A H2 H 1 7.205 0.006 . 1 . . . . . . . . 6320 1 374 . 1 1 25 25 A H2' H 1 4.660 0.009 . 1 . . . . . . . . 6320 1 375 . 1 1 25 25 A H3' H 1 4.605 0.001 . 1 . . . . . . . . 6320 1 376 . 1 1 25 25 A H4' H 1 4.597 0.004 . 1 . . . . . . . . 6320 1 377 . 1 1 25 25 A H5' H 1 4.486 0.000 . 1 . . . . . . . . 6320 1 378 . 1 1 25 25 A H5'' H 1 4.345 0.001 . 1 . . . . . . . . 6320 1 379 . 1 1 25 25 A H61 H 1 8.030 0.000 . 1 . . . . . . . . 6320 1 380 . 1 1 25 25 A H62 H 1 6.620 0.001 . 1 . . . . . . . . 6320 1 381 . 1 1 25 25 A H8 H 1 7.896 0.011 . 1 . . . . . . . . 6320 1 382 . 1 1 26 26 A N1 N 15 220.979 0.000 . 1 . . . . . . . . 6320 1 383 . 1 1 26 26 A C1' C 13 90.114 0.024 . 1 . . . . . . . . 6320 1 384 . 1 1 26 26 A C2 C 13 151.497 0.000 . 1 . . . . . . . . 6320 1 385 . 1 1 26 26 A C2' C 13 73.429 0.034 . 1 . . . . . . . . 6320 1 386 . 1 1 26 26 A C3' C 13 70.929 0.424 . 1 . . . . . . . . 6320 1 387 . 1 1 26 26 A C4' C 13 79.668 0.076 . 1 . . . . . . . . 6320 1 388 . 1 1 26 26 A C5' C 13 62.746 0.006 . 1 . . . . . . . . 6320 1 389 . 1 1 26 26 A C8 C 13 136.772 0.000 . 1 . . . . . . . . 6320 1 390 . 1 1 26 26 A H1' H 1 5.943 0.013 . 1 . . . . . . . . 6320 1 391 . 1 1 26 26 A H2 H 1 7.787 0.015 . 1 . . . . . . . . 6320 1 392 . 1 1 26 26 A H2' H 1 4.536 0.007 . 1 . . . . . . . . 6320 1 393 . 1 1 26 26 A H3' H 1 4.604 0.006 . 1 . . . . . . . . 6320 1 394 . 1 1 26 26 A H4' H 1 4.523 0.008 . 1 . . . . . . . . 6320 1 395 . 1 1 26 26 A H5' H 1 4.604 0.000 . 1 . . . . . . . . 6320 1 396 . 1 1 26 26 A H5'' H 1 4.156 0.000 . 1 . . . . . . . . 6320 1 397 . 1 1 26 26 A H61 H 1 8.254 0.000 . 1 . . . . . . . . 6320 1 398 . 1 1 26 26 A H62 H 1 6.719 0.000 . 1 . . . . . . . . 6320 1 399 . 1 1 26 26 A H8 H 1 7.836 0.006 . 1 . . . . . . . . 6320 1 400 . 1 1 27 27 C C1' C 13 91.638 0.113 . 1 . . . . . . . . 6320 1 401 . 1 1 27 27 C C2' C 13 73.483 0.014 . 1 . . . . . . . . 6320 1 402 . 1 1 27 27 C C3' C 13 70.280 0.042 . 1 . . . . . . . . 6320 1 403 . 1 1 27 27 C C4' C 13 79.739 0.070 . 1 . . . . . . . . 6320 1 404 . 1 1 27 27 C C5 C 13 95.238 0.000 . 1 . . . . . . . . 6320 1 405 . 1 1 27 27 C C5' C 13 62.478 0.020 . 1 . . . . . . . . 6320 1 406 . 1 1 27 27 C C6 C 13 138.062 0.000 . 1 . . . . . . . . 6320 1 407 . 1 1 27 27 C H1' H 1 5.352 0.008 . 1 . . . . . . . . 6320 1 408 . 1 1 27 27 C H2' H 1 4.304 0.019 . 1 . . . . . . . . 6320 1 409 . 1 1 27 27 C H3' H 1 4.289 0.011 . 1 . . . . . . . . 6320 1 410 . 1 1 27 27 C H4' H 1 4.388 0.009 . 1 . . . . . . . . 6320 1 411 . 1 1 27 27 C H41 H 1 8.306 0.000 . 1 . . . . . . . . 6320 1 412 . 1 1 27 27 C H42 H 1 7.154 0.000 . 1 . . . . . . . . 6320 1 413 . 1 1 27 27 C H5 H 1 5.186 0.017 . 1 . . . . . . . . 6320 1 414 . 1 1 27 27 C H5' H 1 4.501 0.008 . 1 . . . . . . . . 6320 1 415 . 1 1 27 27 C H5'' H 1 4.045 0.010 . 1 . . . . . . . . 6320 1 416 . 1 1 27 27 C H6 H 1 7.305 0.006 . 1 . . . . . . . . 6320 1 417 . 1 1 27 27 C N3 N 15 180.162 0.000 . 1 . . . . . . . . 6320 1 418 . 1 1 28 28 C C1' C 13 90.341 0.000 . 1 . . . . . . . . 6320 1 419 . 1 1 28 28 C C6 C 13 139.171 0.000 . 1 . . . . . . . . 6320 1 420 . 1 1 28 28 C H1' H 1 5.686 0.012 . 1 . . . . . . . . 6320 1 421 . 1 1 28 28 C H5 H 1 5.519 0.006 . 1 . . . . . . . . 6320 1 422 . 1 1 28 28 C H6 H 1 7.762 0.006 . 1 . . . . . . . . 6320 1 423 . 1 1 29 29 G C1' C 13 91.022 0.000 . 1 . . . . . . . . 6320 1 424 . 1 1 29 29 G C8 C 13 134.738 0.000 . 1 . . . . . . . . 6320 1 425 . 1 1 29 29 G H1 H 1 12.892 0.017 . 1 . . . . . . . . 6320 1 426 . 1 1 29 29 G H1' H 1 5.717 0.000 . 1 . . . . . . . . 6320 1 427 . 1 1 29 29 G H2' H 1 4.627 0.000 . 1 . . . . . . . . 6320 1 428 . 1 1 29 29 G H21 H 1 8.150 0.000 . 1 . . . . . . . . 6320 1 429 . 1 1 29 29 G H22 H 1 6.326 0.000 . 1 . . . . . . . . 6320 1 430 . 1 1 29 29 G H8 H 1 7.524 0.026 . 1 . . . . . . . . 6320 1 431 . 1 1 29 29 G N1 N 15 129.264 0.000 . 1 . . . . . . . . 6320 1 432 . 1 1 30 30 U C1' C 13 91.591 0.185 . 1 . . . . . . . . 6320 1 433 . 1 1 30 30 U C2' C 13 73.539 0.135 . 1 . . . . . . . . 6320 1 434 . 1 1 30 30 U C3' C 13 70.089 0.000 . 1 . . . . . . . . 6320 1 435 . 1 1 30 30 U C4' C 13 80.332 0.000 . 1 . . . . . . . . 6320 1 436 . 1 1 30 30 U C5' C 13 61.886 0.049 . 1 . . . . . . . . 6320 1 437 . 1 1 30 30 U C6 C 13 139.875 0.000 . 1 . . . . . . . . 6320 1 438 . 1 1 30 30 U H1' H 1 5.495 0.013 . 1 . . . . . . . . 6320 1 439 . 1 1 30 30 U H2' H 1 4.137 0.007 . 1 . . . . . . . . 6320 1 440 . 1 1 30 30 U H3 H 1 11.958 0.004 . 1 . . . . . . . . 6320 1 441 . 1 1 30 30 U H3' H 1 4.553 0.004 . 1 . . . . . . . . 6320 1 442 . 1 1 30 30 U H4' H 1 4.393 0.012 . 1 . . . . . . . . 6320 1 443 . 1 1 30 30 U H5 H 1 5.403 0.002 . 1 . . . . . . . . 6320 1 444 . 1 1 30 30 U H5' H 1 4.496 0.000 . 1 . . . . . . . . 6320 1 445 . 1 1 30 30 U H5'' H 1 4.075 0.016 . 1 . . . . . . . . 6320 1 446 . 1 1 30 30 U H6 H 1 7.704 0.008 . 1 . . . . . . . . 6320 1 447 . 1 1 31 31 U C1' C 13 90.992 0.456 . 1 . . . . . . . . 6320 1 448 . 1 1 31 31 U C2' C 13 73.674 0.000 . 1 . . . . . . . . 6320 1 449 . 1 1 31 31 U C3' C 13 71.440 0.000 . 1 . . . . . . . . 6320 1 450 . 1 1 31 31 U C4' C 13 80.964 0.000 . 1 . . . . . . . . 6320 1 451 . 1 1 31 31 U C5' C 13 62.936 0.053 . 1 . . . . . . . . 6320 1 452 . 1 1 31 31 U C6 C 13 141.087 0.000 . 1 . . . . . . . . 6320 1 453 . 1 1 31 31 U H1' H 1 5.644 0.006 . 1 . . . . . . . . 6320 1 454 . 1 1 31 31 U H2' H 1 4.244 0.000 . 1 . . . . . . . . 6320 1 455 . 1 1 31 31 U H3 H 1 14.492 0.004 . 1 . . . . . . . . 6320 1 456 . 1 1 31 31 U H3' H 1 4.498 0.000 . 1 . . . . . . . . 6320 1 457 . 1 1 31 31 U H4' H 1 4.379 0.000 . 1 . . . . . . . . 6320 1 458 . 1 1 31 31 U H5 H 1 5.654 0.004 . 1 . . . . . . . . 6320 1 459 . 1 1 31 31 U H5' H 1 4.423 0.000 . 1 . . . . . . . . 6320 1 460 . 1 1 31 31 U H5'' H 1 4.064 0.000 . 1 . . . . . . . . 6320 1 461 . 1 1 31 31 U H6 H 1 8.081 0.004 . 1 . . . . . . . . 6320 1 462 . 1 1 32 32 C C1' C 13 90.379 0.061 . 1 . . . . . . . . 6320 1 463 . 1 1 32 32 C C2' C 13 75.345 0.007 . 1 . . . . . . . . 6320 1 464 . 1 1 32 32 C C3' C 13 67.975 0.039 . 1 . . . . . . . . 6320 1 465 . 1 1 32 32 C C4' C 13 81.416 0.065 . 1 . . . . . . . . 6320 1 466 . 1 1 32 32 C C5' C 13 63.078 0.031 . 1 . . . . . . . . 6320 1 467 . 1 1 32 32 C C6 C 13 140.329 0.000 . 1 . . . . . . . . 6320 1 468 . 1 1 32 32 C H1' H 1 5.906 0.017 . 1 . . . . . . . . 6320 1 469 . 1 1 32 32 C H2' H 1 4.012 0.007 . 1 . . . . . . . . 6320 1 470 . 1 1 32 32 C H3' H 1 4.242 0.011 . 1 . . . . . . . . 6320 1 471 . 1 1 32 32 C H4' H 1 4.185 0.009 . 1 . . . . . . . . 6320 1 472 . 1 1 32 32 C H5 H 1 5.765 0.005 . 1 . . . . . . . . 6320 1 473 . 1 1 32 32 C H5' H 1 4.470 0.019 . 1 . . . . . . . . 6320 1 474 . 1 1 32 32 C H5'' H 1 4.052 0.008 . 1 . . . . . . . . 6320 1 475 . 1 1 32 32 C H6 H 1 7.756 0.003 . 1 . . . . . . . . 6320 1 stop_ save_