data_30730 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30730 _Entry.Title ; Tandem UU:GA mismatch within an RNA helix ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-28 _Entry.Accession_date 2020-02-28 _Entry.Last_release_date 2020-05-06 _Entry.Original_release_date 2020-05-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 E. Nikonowicz E. P. . . 30730 2 A. Chang A. T. . . 30730 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GA base pair' . 30730 RNA . 30730 'UU base pair' . 30730 'internal loop' . 30730 mismatch . 30730 'structural motif' . 30730 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30730 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 215 30730 '15N chemical shifts' 51 30730 '1H chemical shifts' 239 30730 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-10-08 2020-02-28 update BMRB 'update entry citation' 30730 1 . . 2020-08-31 2020-02-28 original author 'original release' 30730 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6VZC 'BMRB Entry Tracking System' 30730 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30730 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32786414 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 2-Amino-1,3-benzothiazole-6-carboxamide Preferentially Binds the Tandem Mismatch Motif r(UY:GA) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 3225 _Citation.Page_last 3234 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Chang A. T. . . 30730 1 2 L. Chen L. . . . 30730 1 3 L. Song L. . . . 30730 1 4 S. Zhang S. . . . 30730 1 5 E. Nikonowicz E. P. . . 30730 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30730 _Assembly.ID 1 _Assembly.Name 'RNA 28-mer' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30730 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30730 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGCUGUGAUGCUUCGGCAU AUCAGCCC ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8963.334 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 30730 1 2 . G . 30730 1 3 . G . 30730 1 4 . C . 30730 1 5 . U . 30730 1 6 . G . 30730 1 7 . U . 30730 1 8 . G . 30730 1 9 . A . 30730 1 10 . U . 30730 1 11 . G . 30730 1 12 . C . 30730 1 13 . U . 30730 1 14 . U . 30730 1 15 . C . 30730 1 16 . G . 30730 1 17 . G . 30730 1 18 . C . 30730 1 19 . A . 30730 1 20 . U . 30730 1 21 . A . 30730 1 22 . U . 30730 1 23 . C . 30730 1 24 . A . 30730 1 25 . G . 30730 1 26 . C . 30730 1 27 . C . 30730 1 28 . C . 30730 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 30730 1 . G 2 2 30730 1 . G 3 3 30730 1 . C 4 4 30730 1 . U 5 5 30730 1 . G 6 6 30730 1 . U 7 7 30730 1 . G 8 8 30730 1 . A 9 9 30730 1 . U 10 10 30730 1 . G 11 11 30730 1 . C 12 12 30730 1 . U 13 13 30730 1 . U 14 14 30730 1 . C 15 15 30730 1 . G 16 16 30730 1 . G 17 17 30730 1 . C 18 18 30730 1 . A 19 19 30730 1 . U 20 20 30730 1 . A 21 21 30730 1 . U 22 22 30730 1 . C 23 23 30730 1 . A 24 24 30730 1 . G 25 25 30730 1 . C 26 26 30730 1 . C 27 27 30730 1 . C 28 28 30730 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 30730 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30730 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 30730 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30730 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30730 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 mM RNA, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 30730 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30730 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.3 mM [U-99% 13C; U-99% 15N] RNA, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 30730 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30730 _Sample.ID 3 _Sample.Name . _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details '0.25 mM [U-99% 13C; U-99% 15N] RNA, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 30730 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30730 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.4 mM [U-99% 13C; U-99% 15N] RNA, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.4 . . mM . . . . 30730 4 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 30730 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30730 1 pH 6.8 0.1 pH 30730 1 pressure 1 . atm 30730 1 temperature 299 . K 30730 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 30730 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30730 2 pH 6.8 0.1 pH 30730 2 pressure 1 . atm 30730 2 temperature 285 . K 30730 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30730 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30730 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30730 1 'structure calculation' . 30730 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30730 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 30730 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30730 2 'peak picking' . 30730 2 stop_ 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 30730 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 30730 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30730 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian INOVA . 600 . . . 30730 1 2 NMR_spectrometer_2 Varian INOVA . 500 . . . 30730 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 30730 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 3 '3D HCCH-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 5 '2D 1H-13C ct-HSQC' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 7 '2D 1H-13C ctep-HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30730 1 8 '2d H(CN)C' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 9 '2D H(N)CO' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30730 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30730 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.25144953 . . . . . 30730 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 30730 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.10132912 . . . . . 30730 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30730 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.04 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'values measured in multiple spectra' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 30730 1 2 '3D 1H-13C NOESY' . . . 30730 1 3 '3D HCCH-COSY' . . . 30730 1 4 '3D HCCH-TOCSY' . . . 30730 1 5 '2D 1H-13C ct-HSQC' . . . 30730 1 6 '2D 1H-15N HSQC' . . . 30730 1 7 '2D 1H-13C ctep-HSQC' . . . 30730 1 8 '2d H(CN)C' . . . 30730 1 9 '2D H(N)CO' . . . 30730 1 10 '2D 1H-1H NOESY' . . . 30730 1 11 '3D 1H-15N NOESY' . . . 30730 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.74 0.015 . 1 . . . . A 1 G H1' . 30730 1 2 . 1 . 1 1 1 G H2' H 1 4.81 0.015 . 1 . . . . A 1 G H2' . 30730 1 3 . 1 . 1 1 1 G H3' H 1 4.42 0.015 . 1 . . . . A 1 G H3' . 30730 1 4 . 1 . 1 1 1 G H5' H 1 4.17 0.015 . 2 . . . . A 1 G H5' . 30730 1 5 . 1 . 1 1 1 G H5'' H 1 4.02 0.015 . 2 . . . . A 1 G H5'' . 30730 1 6 . 1 . 1 1 1 G H8 H 1 8.05 0.015 . 1 . . . . A 1 G H8 . 30730 1 7 . 1 . 1 1 1 G C8 C 13 139.20 0.015 . 1 . . . . A 1 G C8 . 30730 1 8 . 1 . 1 2 2 G H1 H 1 12.79 0.015 . 1 . . . . A 2 G H1 . 30730 1 9 . 1 . 1 2 2 G H1' H 1 5.84 0.015 . 1 . . . . A 2 G H1' . 30730 1 10 . 1 . 1 2 2 G H2' H 1 4.57 0.015 . 1 . . . . A 2 G H2' . 30730 1 11 . 1 . 1 2 2 G H3' H 1 4.52 0.015 . 1 . . . . A 2 G H3' . 30730 1 12 . 1 . 1 2 2 G H4' H 1 4.46 0.015 . 1 . . . . A 2 G H4' . 30730 1 13 . 1 . 1 2 2 G H5' H 1 4.43 0.015 . 2 . . . . A 2 G H5' . 30730 1 14 . 1 . 1 2 2 G H5'' H 1 4.17 0.015 . 2 . . . . A 2 G H5'' . 30730 1 15 . 1 . 1 2 2 G H8 H 1 7.47 0.015 . 1 . . . . A 2 G H8 . 30730 1 16 . 1 . 1 2 2 G C1' C 13 91.90 0.075 . 1 . . . . A 2 G C1' . 30730 1 17 . 1 . 1 2 2 G C2 C 13 156.67 0.075 . 1 . . . . A 2 G C2 . 30730 1 18 . 1 . 1 2 2 G C2' C 13 74.85 0.075 . 1 . . . . A 2 G C2' . 30730 1 19 . 1 . 1 2 2 G C3' C 13 72.20 0.075 . 1 . . . . A 2 G C3' . 30730 1 20 . 1 . 1 2 2 G C4' C 13 81.70 0.075 . 1 . . . . A 2 G C4' . 30730 1 21 . 1 . 1 2 2 G C5' C 13 65.18 0.075 . 1 . . . . A 2 G C5' . 30730 1 22 . 1 . 1 2 2 G C6 C 13 161.79 0.075 . 1 . . . . A 2 G C6 . 30730 1 23 . 1 . 1 2 2 G C8 C 13 136.94 0.075 . 1 . . . . A 2 G C8 . 30730 1 24 . 1 . 1 2 2 G N1 N 15 147.84 0.055 . 1 . . . . A 2 G N1 . 30730 1 25 . 1 . 1 2 2 G N7 N 15 234.48 0.055 . 1 . . . . A 2 G N7 . 30730 1 26 . 1 . 1 2 2 G N9 N 15 170.41 0.055 . 1 . . . . A 2 G N9 . 30730 1 27 . 1 . 1 3 3 G H1 H 1 13.19 0.015 . 1 . . . . A 3 G H1 . 30730 1 28 . 1 . 1 3 3 G H1' H 1 5.69 0.015 . 1 . . . . A 3 G H1' . 30730 1 29 . 1 . 1 3 3 G H2' H 1 4.46 0.015 . 1 . . . . A 3 G H2' . 30730 1 30 . 1 . 1 3 3 G H3' H 1 4.36 0.015 . 1 . . . . A 3 G H3' . 30730 1 31 . 1 . 1 3 3 G H4' H 1 4.44 0.015 . 1 . . . . A 3 G H4' . 30730 1 32 . 1 . 1 3 3 G H5' H 1 4.41 0.015 . 2 . . . . A 3 G H5' . 30730 1 33 . 1 . 1 3 3 G H5'' H 1 4.01 0.015 . 2 . . . . A 3 G H5'' . 30730 1 34 . 1 . 1 3 3 G H8 H 1 7.15 0.015 . 1 . . . . A 3 G H8 . 30730 1 35 . 1 . 1 3 3 G C1' C 13 92.22 0.075 . 1 . . . . A 3 G C1' . 30730 1 36 . 1 . 1 3 3 G C2 C 13 157.12 0.075 . 1 . . . . A 3 G C2 . 30730 1 37 . 1 . 1 3 3 G C2' C 13 74.45 0.075 . 1 . . . . A 3 G C2' . 30730 1 38 . 1 . 1 3 3 G C3' C 13 72.27 0.075 . 1 . . . . A 3 G C3' . 30730 1 39 . 1 . 1 3 3 G C4' C 13 81.70 0.075 . 1 . . . . A 3 G C4' . 30730 1 40 . 1 . 1 3 3 G C5' C 13 64.85 0.075 . 1 . . . . A 3 G C5' . 30730 1 41 . 1 . 1 3 3 G C6 C 13 161.90 0.075 . 1 . . . . A 3 G C6 . 30730 1 42 . 1 . 1 3 3 G C8 C 13 136.11 0.075 . 1 . . . . A 3 G C8 . 30730 1 43 . 1 . 1 3 3 G N1 N 15 147.84 0.055 . 1 . . . . A 3 G N1 . 30730 1 44 . 1 . 1 3 3 G N7 N 15 234.78 0.055 . 1 . . . . A 3 G N7 . 30730 1 45 . 1 . 1 3 3 G N9 N 15 169.54 0.055 . 1 . . . . A 3 G N9 . 30730 1 46 . 1 . 1 4 4 C H1' H 1 5.43 0.015 . 1 . . . . A 4 C H1' . 30730 1 47 . 1 . 1 4 4 C H2' H 1 4.19 0.015 . 1 . . . . A 4 C H2' . 30730 1 48 . 1 . 1 4 4 C H3' H 1 4.39 0.015 . 1 . . . . A 4 C H3' . 30730 1 49 . 1 . 1 4 4 C H4' H 1 4.30 0.015 . 1 . . . . A 4 C H4' . 30730 1 50 . 1 . 1 4 4 C H5 H 1 5.11 0.015 . 1 . . . . A 4 C H5 . 30730 1 51 . 1 . 1 4 4 C H5' H 1 4.45 0.015 . 2 . . . . A 4 C H5' . 30730 1 52 . 1 . 1 4 4 C H5'' H 1 4.01 0.015 . 2 . . . . A 4 C H5'' . 30730 1 53 . 1 . 1 4 4 C H6 H 1 7.50 0.015 . 1 . . . . A 4 C H6 . 30730 1 54 . 1 . 1 4 4 C H41 H 1 6.82 0.015 . 2 . . . . A 4 C H41 . 30730 1 55 . 1 . 1 4 4 C H42 H 1 8.22 0.015 . 2 . . . . A 4 C H42 . 30730 1 56 . 1 . 1 4 4 C C1' C 13 93.45 0.075 . 1 . . . . A 4 C C1' . 30730 1 57 . 1 . 1 4 4 C C2 C 13 159.29 0.075 . 1 . . . . A 4 C C2 . 30730 1 58 . 1 . 1 4 4 C C2' C 13 74.68 0.075 . 1 . . . . A 4 C C2' . 30730 1 59 . 1 . 1 4 4 C C3' C 13 71.28 0.075 . 1 . . . . A 4 C C3' . 30730 1 60 . 1 . 1 4 4 C C4 C 13 161.90 0.075 . 1 . . . . A 4 C C4 . 30730 1 61 . 1 . 1 4 4 C C4' C 13 81.05 0.075 . 1 . . . . A 4 C C4' . 30730 1 62 . 1 . 1 4 4 C C5 C 13 96.37 0.075 . 1 . . . . A 4 C C5 . 30730 1 63 . 1 . 1 4 4 C C5' C 13 63.69 0.075 . 1 . . . . A 4 C C5' . 30730 1 64 . 1 . 1 4 4 C C6 C 13 141.19 0.075 . 1 . . . . A 4 C C6 . 30730 1 65 . 1 . 1 4 4 C N4 N 15 97.52 0.055 . 1 . . . . A 4 C N4 . 30730 1 66 . 1 . 1 5 5 U H1' H 1 5.46 0.015 . 1 . . . . A 5 U H1' . 30730 1 67 . 1 . 1 5 5 U H2' H 1 4.62 0.015 . 1 . . . . A 5 U H2' . 30730 1 68 . 1 . 1 5 5 U H3 H 1 13.15 0.015 . 1 . . . . A 5 U H3 . 30730 1 69 . 1 . 1 5 5 U H3' H 1 4.48 0.015 . 1 . . . . A 5 U H3' . 30730 1 70 . 1 . 1 5 5 U H4' H 1 4.33 0.015 . 1 . . . . A 5 U H4' . 30730 1 71 . 1 . 1 5 5 U H5 H 1 5.36 0.015 . 1 . . . . A 5 U H5 . 30730 1 72 . 1 . 1 5 5 U H5' H 1 4.46 0.015 . 2 . . . . A 5 U H5' . 30730 1 73 . 1 . 1 5 5 U H5'' H 1 4.02 0.015 . 2 . . . . A 5 U H5'' . 30730 1 74 . 1 . 1 5 5 U H6 H 1 7.74 0.015 . 1 . . . . A 5 U H6 . 30730 1 75 . 1 . 1 5 5 U C1' C 13 92.74 0.075 . 1 . . . . A 5 U C1' . 30730 1 76 . 1 . 1 5 5 U C2 C 13 152.92 0.075 . 1 . . . . A 5 U C2 . 30730 1 77 . 1 . 1 5 5 U C2' C 13 74.78 0.075 . 1 . . . . A 5 U C2' . 30730 1 78 . 1 . 1 5 5 U C3' C 13 71.81 0.075 . 1 . . . . A 5 U C3' . 30730 1 79 . 1 . 1 5 5 U C4 C 13 169.70 0.075 . 1 . . . . A 5 U C4 . 30730 1 80 . 1 . 1 5 5 U C4' C 13 81.11 0.075 . 1 . . . . A 5 U C4' . 30730 1 81 . 1 . 1 5 5 U C5 C 13 103.10 0.075 . 1 . . . . A 5 U C5 . 30730 1 82 . 1 . 1 5 5 U C5' C 13 63.94 0.075 . 1 . . . . A 5 U C5' . 30730 1 83 . 1 . 1 5 5 U C6 C 13 141.83 0.075 . 1 . . . . A 5 U C6 . 30730 1 84 . 1 . 1 5 5 U N3 N 15 161.67 0.055 . 1 . . . . A 5 U N3 . 30730 1 85 . 1 . 1 6 6 G H1 H 1 12.62 0.015 . 1 . . . . A 6 G H1 . 30730 1 86 . 1 . 1 6 6 G H1' H 1 5.65 0.015 . 1 . . . . A 6 G H1' . 30730 1 87 . 1 . 1 6 6 G H2' H 1 4.43 0.015 . 1 . . . . A 6 G H2' . 30730 1 88 . 1 . 1 6 6 G H3' H 1 4.18 0.015 . 1 . . . . A 6 G H3' . 30730 1 89 . 1 . 1 6 6 G H4' H 1 4.42 0.015 . 1 . . . . A 6 G H4' . 30730 1 90 . 1 . 1 6 6 G H5' H 1 4.36 0.015 . 2 . . . . A 6 G H5' . 30730 1 91 . 1 . 1 6 6 G H5'' H 1 4.40 0.015 . 2 . . . . A 6 G H5'' . 30730 1 92 . 1 . 1 6 6 G H8 H 1 7.48 0.015 . 1 . . . . A 6 G H8 . 30730 1 93 . 1 . 1 6 6 G C1' C 13 92.09 0.075 . 1 . . . . A 6 G C1' . 30730 1 94 . 1 . 1 6 6 G C2 C 13 156.21 0.075 . 1 . . . . A 6 G C2 . 30730 1 95 . 1 . 1 6 6 G C2' C 13 74.58 0.075 . 1 . . . . A 6 G C2' . 30730 1 96 . 1 . 1 6 6 G C3' C 13 72.27 0.075 . 1 . . . . A 6 G C3' . 30730 1 97 . 1 . 1 6 6 G C4' C 13 81.31 0.075 . 1 . . . . A 6 G C4' . 30730 1 98 . 1 . 1 6 6 G C5' C 13 65.50 0.075 . 1 . . . . A 6 G C5' . 30730 1 99 . 1 . 1 6 6 G C6 C 13 161.67 0.075 . 1 . . . . A 6 G C6 . 30730 1 100 . 1 . 1 6 6 G C8 C 13 136.12 0.075 . 1 . . . . A 6 G C8 . 30730 1 101 . 1 . 1 6 6 G N1 N 15 147.50 0.015 . 1 . . . . A 6 G N1 . 30730 1 102 . 1 . 1 6 6 G N7 N 15 237.00 0.055 . 1 . . . . A 6 G N7 . 30730 1 103 . 1 . 1 6 6 G N9 N 15 170.51 0.055 . 1 . . . . A 6 G N9 . 30730 1 104 . 1 . 1 7 7 U H1' H 1 5.27 0.015 . 1 . . . . A 7 U H1' . 30730 1 105 . 1 . 1 7 7 U H2' H 1 4.07 0.015 . 1 . . . . A 7 U H2' . 30730 1 106 . 1 . 1 7 7 U H3 H 1 11.06 0.015 . 1 . . . . A 7 U H3 . 30730 1 107 . 1 . 1 7 7 U H3' H 1 4.35 0.015 . 1 . . . . A 7 U H3' . 30730 1 108 . 1 . 1 7 7 U H4' H 1 4.19 0.015 . 1 . . . . A 7 U H4' . 30730 1 109 . 1 . 1 7 7 U H5 H 1 5.14 0.015 . 1 . . . . A 7 U H5 . 30730 1 110 . 1 . 1 7 7 U H5' H 1 4.97 0.015 . 2 . . . . A 7 U H5' . 30730 1 111 . 1 . 1 7 7 U H5'' H 1 4.32 0.015 . 2 . . . . A 7 U H5'' . 30730 1 112 . 1 . 1 7 7 U H6 H 1 7.32 0.015 . 1 . . . . A 7 U H6 . 30730 1 113 . 1 . 1 7 7 U C1' C 13 92.89 0.075 . 1 . . . . A 7 U C1' . 30730 1 114 . 1 . 1 7 7 U C2 C 13 154.27 0.075 . 1 . . . . A 7 U C2 . 30730 1 115 . 1 . 1 7 7 U C2' C 13 74.71 0.075 . 1 . . . . A 7 U C2' . 30730 1 116 . 1 . 1 7 7 U C3' C 13 71.41 0.075 . 1 . . . . A 7 U C3' . 30730 1 117 . 1 . 1 7 7 U C4 C 13 166.87 0.075 . 1 . . . . A 7 U C4 . 30730 1 118 . 1 . 1 7 7 U C4' C 13 82.03 0.075 . 1 . . . . A 7 U C4' . 30730 1 119 . 1 . 1 7 7 U C5 C 13 102.97 0.075 . 1 . . . . A 7 U C5 . 30730 1 120 . 1 . 1 7 7 U C5' C 13 63.52 0.075 . 1 . . . . A 7 U C5' . 30730 1 121 . 1 . 1 7 7 U C6 C 13 140.33 0.075 . 1 . . . . A 7 U C6 . 30730 1 122 . 1 . 1 7 7 U N3 N 15 158.30 0.055 . 1 . . . . A 7 U N3 . 30730 1 123 . 1 . 1 8 8 G H1' H 1 5.45 0.015 . 1 . . . . A 8 G H1' . 30730 1 124 . 1 . 1 8 8 G H2' H 1 4.60 0.015 . 1 . . . . A 8 G H2' . 30730 1 125 . 1 . 1 8 8 G H3' H 1 4.48 0.015 . 1 . . . . A 8 G H3' . 30730 1 126 . 1 . 1 8 8 G H4' H 1 4.37 0.015 . 1 . . . . A 8 G H4' . 30730 1 127 . 1 . 1 8 8 G H5' H 1 4.16 0.015 . 2 . . . . A 8 G H5' . 30730 1 128 . 1 . 1 8 8 G H5'' H 1 4.06 0.015 . 2 . . . . A 8 G H5'' . 30730 1 129 . 1 . 1 8 8 G H8 H 1 7.76 0.015 . 1 . . . . A 8 G H8 . 30730 1 130 . 1 . 1 8 8 G C1' C 13 88.40 0.075 . 1 . . . . A 8 G C1' . 30730 1 131 . 1 . 1 8 8 G C2 C 13 160.20 0.075 . 1 . . . . A 8 G C2 . 30730 1 132 . 1 . 1 8 8 G C2' C 13 74.78 0.075 . 1 . . . . A 8 G C2' . 30730 1 133 . 1 . 1 8 8 G C3' C 13 71.81 0.075 . 1 . . . . A 8 G C3' . 30730 1 134 . 1 . 1 8 8 G C4' C 13 81.18 0.075 . 1 . . . . A 8 G C4' . 30730 1 135 . 1 . 1 8 8 G C5' C 13 66.18 0.075 . 1 . . . . A 8 G C5' . 30730 1 136 . 1 . 1 8 8 G C8 C 13 139.42 0.075 . 1 . . . . A 8 G C8 . 30730 1 137 . 1 . 1 8 8 G N7 N 15 231.41 0.055 . 1 . . . . A 8 G N7 . 30730 1 138 . 1 . 1 8 8 G N9 N 15 172.44 0.055 . 1 . . . . A 8 G N9 . 30730 1 139 . 1 . 1 9 9 A H1' H 1 5.70 0.015 . 1 . . . . A 9 A H1' . 30730 1 140 . 1 . 1 9 9 A H2 H 1 7.65 0.015 . 1 . . . . A 9 A H2 . 30730 1 141 . 1 . 1 9 9 A H2' H 1 4.54 0.015 . 1 . . . . A 9 A H2' . 30730 1 142 . 1 . 1 9 9 A H3' H 1 4.62 0.015 . 1 . . . . A 9 A H3' . 30730 1 143 . 1 . 1 9 9 A H4' H 1 4.44 0.015 . 1 . . . . A 9 A H4' . 30730 1 144 . 1 . 1 9 9 A H5' H 1 4.29 0.015 . 2 . . . . A 9 A H5' . 30730 1 145 . 1 . 1 9 9 A H5'' H 1 4.17 0.015 . 2 . . . . A 9 A H5'' . 30730 1 146 . 1 . 1 9 9 A H8 H 1 8.15 0.015 . 1 . . . . A 9 A H8 . 30730 1 147 . 1 . 1 9 9 A C1' C 13 89.83 0.075 . 1 . . . . A 9 A C1' . 30730 1 148 . 1 . 1 9 9 A C2 C 13 154.11 0.075 . 1 . . . . A 9 A C2 . 30730 1 149 . 1 . 1 9 9 A C2' C 13 74.45 0.075 . 1 . . . . A 9 A C2' . 30730 1 150 . 1 . 1 9 9 A C3' C 13 73.99 0.075 . 1 . . . . A 9 A C3' . 30730 1 151 . 1 . 1 9 9 A C4' C 13 82.83 0.075 . 1 . . . . A 9 A C4' . 30730 1 152 . 1 . 1 9 9 A C5' C 13 66.17 0.075 . 1 . . . . A 9 A C5' . 30730 1 153 . 1 . 1 9 9 A C8 C 13 141.55 0.075 . 1 . . . . A 9 A C8 . 30730 1 154 . 1 . 1 9 9 A N1 N 15 223.94 0.055 . 1 . . . . A 9 A N1 . 30730 1 155 . 1 . 1 9 9 A N3 N 15 215.04 0.055 . 1 . . . . A 9 A N3 . 30730 1 156 . 1 . 1 9 9 A N7 N 15 231.37 0.055 . 1 . . . . A 9 A N7 . 30730 1 157 . 1 . 1 9 9 A N9 N 15 169.47 0.055 . 1 . . . . A 9 A N9 . 30730 1 158 . 1 . 1 10 10 U H1' H 1 5.34 0.015 . 1 . . . . A 10 U H1' . 30730 1 159 . 1 . 1 10 10 U H2' H 1 4.43 0.015 . 1 . . . . A 10 U H2' . 30730 1 160 . 1 . 1 10 10 U H3 H 1 13.19 0.015 . 1 . . . . A 10 U H3 . 30730 1 161 . 1 . 1 10 10 U H3' H 1 4.35 0.015 . 1 . . . . A 10 U H3' . 30730 1 162 . 1 . 1 10 10 U H4' H 1 4.39 0.015 . 1 . . . . A 10 U H4' . 30730 1 163 . 1 . 1 10 10 U H5 H 1 5.02 0.015 . 1 . . . . A 10 U H5 . 30730 1 164 . 1 . 1 10 10 U H5' H 1 4.31 0.015 . 2 . . . . A 10 U H5' . 30730 1 165 . 1 . 1 10 10 U H5'' H 1 4.17 0.015 . 2 . . . . A 10 U H5'' . 30730 1 166 . 1 . 1 10 10 U H6 H 1 7.45 0.015 . 1 . . . . A 10 U H6 . 30730 1 167 . 1 . 1 10 10 U C1' C 13 92.35 0.075 . 1 . . . . A 10 U C1' . 30730 1 168 . 1 . 1 10 10 U C2 C 13 152.87 0.075 . 1 . . . . A 10 U C2 . 30730 1 169 . 1 . 1 10 10 U C2' C 13 74.19 0.075 . 1 . . . . A 10 U C2' . 30730 1 170 . 1 . 1 10 10 U C3' C 13 72.80 0.075 . 1 . . . . A 10 U C3' . 30730 1 171 . 1 . 1 10 10 U C4' C 13 81.97 0.075 . 1 . . . . A 10 U C4' . 30730 1 172 . 1 . 1 10 10 U C5 C 13 102.84 0.075 . 1 . . . . A 10 U C5 . 30730 1 173 . 1 . 1 10 10 U C5' C 13 65.67 0.075 . 1 . . . . A 10 U C5' . 30730 1 174 . 1 . 1 10 10 U C6 C 13 141.96 0.075 . 1 . . . . A 10 U C6 . 30730 1 175 . 1 . 1 10 10 U N3 N 15 162.11 0.055 . 1 . . . . A 10 U N3 . 30730 1 176 . 1 . 1 11 11 G H1 H 1 12.60 0.015 . 1 . . . . A 11 G H1 . 30730 1 177 . 1 . 1 11 11 G H1' H 1 5.74 0.015 . 1 . . . . A 11 G H1' . 30730 1 178 . 1 . 1 11 11 G H2' H 1 4.43 0.015 . 1 . . . . A 11 G H2' . 30730 1 179 . 1 . 1 11 11 G H3' H 1 4.47 0.015 . 1 . . . . A 11 G H3' . 30730 1 180 . 1 . 1 11 11 G H4' H 1 4.39 0.015 . 1 . . . . A 11 G H4' . 30730 1 181 . 1 . 1 11 11 G H5' H 1 4.41 0.015 . 2 . . . . A 11 G H5' . 30730 1 182 . 1 . 1 11 11 G H5'' H 1 4.08 0.015 . 2 . . . . A 11 G H5'' . 30730 1 183 . 1 . 1 11 11 G H8 H 1 7.66 0.015 . 1 . . . . A 11 G H8 . 30730 1 184 . 1 . 1 11 11 G C1' C 13 91.71 0.075 . 1 . . . . A 11 G C1' . 30730 1 185 . 1 . 1 11 11 G C2 C 13 156.69 0.075 . 1 . . . . A 11 G C2 . 30730 1 186 . 1 . 1 11 11 G C2' C 13 74.58 0.075 . 1 . . . . A 11 G C2' . 30730 1 187 . 1 . 1 11 11 G C3' C 13 72.00 0.075 . 1 . . . . A 11 G C3' . 30730 1 188 . 1 . 1 11 11 G C4' C 13 81.20 0.075 . 1 . . . . A 11 G C4' . 30730 1 189 . 1 . 1 11 11 G C5' C 13 64.77 0.075 . 1 . . . . A 11 G C5' . 30730 1 190 . 1 . 1 11 11 G C6 C 13 161.54 0.075 . 1 . . . . A 11 G C6 . 30730 1 191 . 1 . 1 11 11 G C8 C 13 136.66 0.075 . 1 . . . . A 11 G C8 . 30730 1 192 . 1 . 1 11 11 G N1 N 15 147.79 0.055 . 1 . . . . A 11 G N1 . 30730 1 193 . 1 . 1 11 11 G N7 N 15 235.30 0.055 . 1 . . . . A 11 G N7 . 30730 1 194 . 1 . 1 11 11 G N9 N 15 170.58 0.055 . 1 . . . . A 11 G N9 . 30730 1 195 . 1 . 1 12 12 C H1' H 1 5.34 0.015 . 1 . . . . A 12 C H1' . 30730 1 196 . 1 . 1 12 12 C H2' H 1 4.35 0.015 . 1 . . . . A 12 C H2' . 30730 1 197 . 1 . 1 12 12 C H3' H 1 4.13 0.015 . 1 . . . . A 12 C H3' . 30730 1 198 . 1 . 1 12 12 C H4' H 1 4.34 0.015 . 1 . . . . A 12 C H4' . 30730 1 199 . 1 . 1 12 12 C H5 H 1 5.09 0.015 . 1 . . . . A 12 C H5 . 30730 1 200 . 1 . 1 12 12 C H5' H 1 4.40 0.015 . 2 . . . . A 12 C H5' . 30730 1 201 . 1 . 1 12 12 C H5'' H 1 3.97 0.015 . 2 . . . . A 12 C H5'' . 30730 1 202 . 1 . 1 12 12 C H6 H 1 7.36 0.015 . 1 . . . . A 12 C H6 . 30730 1 203 . 1 . 1 12 12 C H41 H 1 6.76 0.015 . 2 . . . . A 12 C H41 . 30730 1 204 . 1 . 1 12 12 C H42 H 1 8.46 0.015 . 2 . . . . A 12 C H42 . 30730 1 205 . 1 . 1 12 12 C C1' C 13 93.00 0.075 . 1 . . . . A 12 C C1' . 30730 1 206 . 1 . 1 12 12 C C2 C 13 158.90 0.075 . 1 . . . . A 12 C C2 . 30730 1 207 . 1 . 1 12 12 C C2' C 13 74.52 0.075 . 1 . . . . A 12 C C2' . 30730 1 208 . 1 . 1 12 12 C C3' C 13 71.02 0.075 . 1 . . . . A 12 C C3' . 30730 1 209 . 1 . 1 12 12 C C4' C 13 81.05 0.075 . 1 . . . . A 12 C C4' . 30730 1 210 . 1 . 1 12 12 C C5 C 13 96.41 0.075 . 1 . . . . A 12 C C5 . 30730 1 211 . 1 . 1 12 12 C C5' C 13 63.77 0.075 . 1 . . . . A 12 C C5' . 30730 1 212 . 1 . 1 12 12 C C6 C 13 140.69 0.075 . 1 . . . . A 12 C C6 . 30730 1 213 . 1 . 1 12 12 C N4 N 15 99.25 0.055 . 1 . . . . A 12 C N4 . 30730 1 214 . 1 . 1 13 13 U H1' H 1 5.56 0.015 . 1 . . . . A 13 U H1' . 30730 1 215 . 1 . 1 13 13 U H2' H 1 3.67 0.015 . 1 . . . . A 13 U H2' . 30730 1 216 . 1 . 1 13 13 U H3 H 1 11.66 0.015 . 1 . . . . A 13 U H3 . 30730 1 217 . 1 . 1 13 13 U H3' H 1 4.44 0.015 . 1 . . . . A 13 U H3' . 30730 1 218 . 1 . 1 13 13 U H4' H 1 4.26 0.015 . 1 . . . . A 13 U H4' . 30730 1 219 . 1 . 1 13 13 U H5 H 1 5.63 0.015 . 1 . . . . A 13 U H5 . 30730 1 220 . 1 . 1 13 13 U H5' H 1 4.40 0.015 . 2 . . . . A 13 U H5' . 30730 1 221 . 1 . 1 13 13 U H5'' H 1 4.00 0.015 . 2 . . . . A 13 U H5'' . 30730 1 222 . 1 . 1 13 13 U H6 H 1 7.66 0.015 . 1 . . . . A 13 U H6 . 30730 1 223 . 1 . 1 13 13 U C1' C 13 93.65 0.075 . 1 . . . . A 13 U C1' . 30730 1 224 . 1 . 1 13 13 U C2 C 13 153.31 0.075 . 1 . . . . A 13 U C2 . 30730 1 225 . 1 . 1 13 13 U C2' C 13 75.04 0.075 . 1 . . . . A 13 U C2' . 30730 1 226 . 1 . 1 13 13 U C3' C 13 72.30 0.075 . 1 . . . . A 13 U C3' . 30730 1 227 . 1 . 1 13 13 U C4' C 13 81.64 0.075 . 1 . . . . A 13 U C4' . 30730 1 228 . 1 . 1 13 13 U C5 C 13 104.27 0.075 . 1 . . . . A 13 U C5 . 30730 1 229 . 1 . 1 13 13 U C5' C 13 63.11 0.075 . 1 . . . . A 13 U C5' . 30730 1 230 . 1 . 1 13 13 U C6 C 13 140.88 0.075 . 1 . . . . A 13 U C6 . 30730 1 231 . 1 . 1 13 13 U N3 N 15 159.94 0.055 . 1 . . . . A 13 U N3 . 30730 1 232 . 1 . 1 14 14 U H1' H 1 6.01 0.015 . 1 . . . . A 14 U H1' . 30730 1 233 . 1 . 1 14 14 U H2' H 1 4.56 0.015 . 1 . . . . A 14 U H2' . 30730 1 234 . 1 . 1 14 14 U H3' H 1 3.92 0.015 . 1 . . . . A 14 U H3' . 30730 1 235 . 1 . 1 14 14 U H4' H 1 4.39 0.015 . 1 . . . . A 14 U H4' . 30730 1 236 . 1 . 1 14 14 U H5 H 1 5.77 0.015 . 1 . . . . A 14 U H5 . 30730 1 237 . 1 . 1 14 14 U H5' H 1 4.15 0.015 . 2 . . . . A 14 U H5' . 30730 1 238 . 1 . 1 14 14 U H5'' H 1 3.96 0.015 . 2 . . . . A 14 U H5'' . 30730 1 239 . 1 . 1 14 14 U H6 H 1 7.93 0.015 . 1 . . . . A 14 U H6 . 30730 1 240 . 1 . 1 14 14 U C1' C 13 88.34 0.075 . 1 . . . . A 14 U C1' . 30730 1 241 . 1 . 1 14 14 U C2 C 13 155.30 0.075 . 1 . . . . A 14 U C2 . 30730 1 242 . 1 . 1 14 14 U C2' C 13 73.66 0.075 . 1 . . . . A 14 U C2' . 30730 1 243 . 1 . 1 14 14 U C3' C 13 76.89 0.075 . 1 . . . . A 14 U C3' . 30730 1 244 . 1 . 1 14 14 U C4' C 13 86.13 0.075 . 1 . . . . A 14 U C4' . 30730 1 245 . 1 . 1 14 14 U C5 C 13 104.65 0.075 . 1 . . . . A 14 U C5 . 30730 1 246 . 1 . 1 14 14 U C5' C 13 66.92 0.075 . 1 . . . . A 14 U C5' . 30730 1 247 . 1 . 1 14 14 U C6 C 13 144.91 0.075 . 1 . . . . A 14 U C6 . 30730 1 248 . 1 . 1 15 15 C H1' H 1 5.85 0.015 . 1 . . . . A 15 C H1' . 30730 1 249 . 1 . 1 15 15 C H2' H 1 4.00 0.015 . 1 . . . . A 15 C H2' . 30730 1 250 . 1 . 1 15 15 C H3' H 1 4.37 0.015 . 1 . . . . A 15 C H3' . 30730 1 251 . 1 . 1 15 15 C H4' H 1 3.70 0.015 . 1 . . . . A 15 C H4' . 30730 1 252 . 1 . 1 15 15 C H5 H 1 6.03 0.015 . 1 . . . . A 15 C H5 . 30730 1 253 . 1 . 1 15 15 C H5' H 1 3.52 0.015 . 2 . . . . A 15 C H5' . 30730 1 254 . 1 . 1 15 15 C H5'' H 1 2.65 0.015 . 2 . . . . A 15 C H5'' . 30730 1 255 . 1 . 1 15 15 C H6 H 1 7.60 0.015 . 1 . . . . A 15 C H6 . 30730 1 256 . 1 . 1 15 15 C C1' C 13 88.15 0.075 . 1 . . . . A 15 C C1' . 30730 1 257 . 1 . 1 15 15 C C2 C 13 160.30 0.075 . 1 . . . . A 15 C C2 . 30730 1 258 . 1 . 1 15 15 C C2' C 13 76.76 0.075 . 1 . . . . A 15 C C2' . 30730 1 259 . 1 . 1 15 15 C C3' C 13 79.46 0.075 . 1 . . . . A 15 C C3' . 30730 1 260 . 1 . 1 15 15 C C4' C 13 83.62 0.075 . 1 . . . . A 15 C C4' . 30730 1 261 . 1 . 1 15 15 C C5 C 13 97.66 0.075 . 1 . . . . A 15 C C5 . 30730 1 262 . 1 . 1 15 15 C C5' C 13 66.42 0.075 . 1 . . . . A 15 C C5' . 30730 1 263 . 1 . 1 15 15 C C6 C 13 143.05 0.075 . 1 . . . . A 15 C C6 . 30730 1 264 . 1 . 1 16 16 G H1 H 1 9.86 0.015 . 1 . . . . A 16 G H1 . 30730 1 265 . 1 . 1 16 16 G H1' H 1 5.86 0.015 . 1 . . . . A 16 G H1' . 30730 1 266 . 1 . 1 16 16 G H2' H 1 4.73 0.015 . 1 . . . . A 16 G H2' . 30730 1 267 . 1 . 1 16 16 G H3' H 1 5.52 0.015 . 1 . . . . A 16 G H3' . 30730 1 268 . 1 . 1 16 16 G H4' H 1 4.32 0.015 . 1 . . . . A 16 G H4' . 30730 1 269 . 1 . 1 16 16 G H5' H 1 4.33 0.015 . 2 . . . . A 16 G H5' . 30730 1 270 . 1 . 1 16 16 G H5'' H 1 4.10 0.015 . 2 . . . . A 16 G H5'' . 30730 1 271 . 1 . 1 16 16 G H8 H 1 7.77 0.015 . 1 . . . . A 16 G H8 . 30730 1 272 . 1 . 1 16 16 G C1' C 13 93.71 0.075 . 1 . . . . A 16 G C1' . 30730 1 273 . 1 . 1 16 16 G C2 C 13 155.86 0.075 . 1 . . . . A 16 G C2 . 30730 1 274 . 1 . 1 16 16 G C2' C 13 76.30 0.075 . 1 . . . . A 16 G C2' . 30730 1 275 . 1 . 1 16 16 G C3' C 13 75.41 0.075 . 1 . . . . A 16 G C3' . 30730 1 276 . 1 . 1 16 16 G C4' C 13 82.37 0.075 . 1 . . . . A 16 G C4' . 30730 1 277 . 1 . 1 16 16 G C5' C 13 68.10 0.075 . 1 . . . . A 16 G C5' . 30730 1 278 . 1 . 1 16 16 G C6 C 13 161.77 0.075 . 1 . . . . A 16 G C6 . 30730 1 279 . 1 . 1 16 16 G C8 C 13 143.14 0.075 . 1 . . . . A 16 G C8 . 30730 1 280 . 1 . 1 16 16 G N1 N 15 143.86 0.055 . 1 . . . . A 16 G N1 . 30730 1 281 . 1 . 1 16 16 G N7 N 15 237.68 0.055 . 1 . . . . A 16 G N7 . 30730 1 282 . 1 . 1 16 16 G N9 N 15 167.46 0.055 . 1 . . . . A 16 G N9 . 30730 1 283 . 1 . 1 17 17 G H1 H 1 13.28 0.015 . 1 . . . . A 17 G H1 . 30730 1 284 . 1 . 1 17 17 G H1' H 1 4.37 0.015 . 1 . . . . A 17 G H1' . 30730 1 285 . 1 . 1 17 17 G H2' H 1 4.42 0.015 . 1 . . . . A 17 G H2' . 30730 1 286 . 1 . 1 17 17 G H3' H 1 4.19 0.015 . 1 . . . . A 17 G H3' . 30730 1 287 . 1 . 1 17 17 G H4' H 1 4.34 0.015 . 1 . . . . A 17 G H4' . 30730 1 288 . 1 . 1 17 17 G H5' H 1 4.40 0.015 . 2 . . . . A 17 G H5' . 30730 1 289 . 1 . 1 17 17 G H5'' H 1 4.16 0.015 . 2 . . . . A 17 G H5'' . 30730 1 290 . 1 . 1 17 17 G H8 H 1 8.20 0.015 . 1 . . . . A 17 G H8 . 30730 1 291 . 1 . 1 17 17 G C1' C 13 92.35 0.075 . 1 . . . . A 17 G C1' . 30730 1 292 . 1 . 1 17 17 G C2 C 13 155.86 0.075 . 1 . . . . A 17 G C2 . 30730 1 293 . 1 . 1 17 17 G C2' C 13 74.89 0.075 . 1 . . . . A 17 G C2' . 30730 1 294 . 1 . 1 17 17 G C3' C 13 74.37 0.075 . 1 . . . . A 17 G C3' . 30730 1 295 . 1 . 1 17 17 G C4' C 13 83.62 0.075 . 1 . . . . A 17 G C4' . 30730 1 296 . 1 . 1 17 17 G C5' C 13 68.22 0.075 . 1 . . . . A 17 G C5' . 30730 1 297 . 1 . 1 17 17 G C6 C 13 162.60 0.075 . 1 . . . . A 17 G C6 . 30730 1 298 . 1 . 1 17 17 G C8 C 13 139.06 0.075 . 1 . . . . A 17 G C8 . 30730 1 299 . 1 . 1 17 17 G N1 N 15 148.32 0.055 . 1 . . . . A 17 G N1 . 30730 1 300 . 1 . 1 17 17 G N7 N 15 233.81 0.055 . 1 . . . . A 17 G N7 . 30730 1 301 . 1 . 1 17 17 G N9 N 15 171.10 0.055 . 1 . . . . A 17 G N9 . 30730 1 302 . 1 . 1 18 18 C H1' H 1 5.37 0.015 . 1 . . . . A 18 C H1' . 30730 1 303 . 1 . 1 18 18 C H2' H 1 4.42 0.015 . 1 . . . . A 18 C H2' . 30730 1 304 . 1 . 1 18 18 C H3' H 1 4.43 0.015 . 1 . . . . A 18 C H3' . 30730 1 305 . 1 . 1 18 18 C H4' H 1 4.32 0.015 . 1 . . . . A 18 C H4' . 30730 1 306 . 1 . 1 18 18 C H5 H 1 5.15 0.015 . 1 . . . . A 18 C H5 . 30730 1 307 . 1 . 1 18 18 C H5' H 1 4.40 0.015 . 2 . . . . A 18 C H5' . 30730 1 308 . 1 . 1 18 18 C H5'' H 1 3.96 0.015 . 2 . . . . A 18 C H5'' . 30730 1 309 . 1 . 1 18 18 C H6 H 1 7.55 0.015 . 1 . . . . A 18 C H6 . 30730 1 310 . 1 . 1 18 18 C H41 H 1 6.75 0.015 . 2 . . . . A 18 C H41 . 30730 1 311 . 1 . 1 18 18 C H42 H 1 8.53 0.015 . 2 . . . . A 18 C H42 . 30730 1 312 . 1 . 1 18 18 C C1' C 13 93.07 0.075 . 1 . . . . A 18 C C1' . 30730 1 313 . 1 . 1 18 18 C C2 C 13 159.11 0.075 . 1 . . . . A 18 C C2 . 30730 1 314 . 1 . 1 18 18 C C2' C 13 74.32 0.075 . 1 . . . . A 18 C C2' . 30730 1 315 . 1 . 1 18 18 C C3' C 13 71.15 0.075 . 1 . . . . A 18 C C3' . 30730 1 316 . 1 . 1 18 18 C C4' C 13 80.98 0.075 . 1 . . . . A 18 C C4' . 30730 1 317 . 1 . 1 18 18 C C5 C 13 96.37 0.075 . 1 . . . . A 18 C C5 . 30730 1 318 . 1 . 1 18 18 C C5' C 13 63.35 0.075 . 1 . . . . A 18 C C5' . 30730 1 319 . 1 . 1 18 18 C C6 C 13 141.19 0.075 . 1 . . . . A 18 C C6 . 30730 1 320 . 1 . 1 18 18 C N4 N 15 97.45 0.055 . 1 . . . . A 18 C N4 . 30730 1 321 . 1 . 1 19 19 A H1' H 1 5.89 0.015 . 1 . . . . A 19 A H1' . 30730 1 322 . 1 . 1 19 19 A H2 H 1 7.36 0.015 . 1 . . . . A 19 A H2 . 30730 1 323 . 1 . 1 19 19 A H2' H 1 4.36 0.015 . 1 . . . . A 19 A H2' . 30730 1 324 . 1 . 1 19 19 A H3' H 1 4.56 0.015 . 1 . . . . A 19 A H3' . 30730 1 325 . 1 . 1 19 19 A H4' H 1 4.39 0.015 . 1 . . . . A 19 A H4' . 30730 1 326 . 1 . 1 19 19 A H5' H 1 4.49 0.015 . 2 . . . . A 19 A H5' . 30730 1 327 . 1 . 1 19 19 A H5'' H 1 4.06 0.015 . 2 . . . . A 19 A H5'' . 30730 1 328 . 1 . 1 19 19 A H8 H 1 7.91 0.015 . 1 . . . . A 19 A H8 . 30730 1 329 . 1 . 1 19 19 A C1' C 13 92.16 0.075 . 1 . . . . A 19 A C1' . 30730 1 330 . 1 . 1 19 19 A C2 C 13 153.65 0.075 . 1 . . . . A 19 A C2 . 30730 1 331 . 1 . 1 19 19 A C2' C 13 74.98 0.075 . 1 . . . . A 19 A C2' . 30730 1 332 . 1 . 1 19 19 A C3' C 13 71.94 0.075 . 1 . . . . A 19 A C3' . 30730 1 333 . 1 . 1 19 19 A C4' C 13 81.25 0.075 . 1 . . . . A 19 A C4' . 30730 1 334 . 1 . 1 19 19 A C5' C 13 64.06 0.075 . 1 . . . . A 19 A C5' . 30730 1 335 . 1 . 1 19 19 A C8 C 13 139.83 0.075 . 1 . . . . A 19 A C8 . 30730 1 336 . 1 . 1 19 19 A N1 N 15 223.83 0.055 . 1 . . . . A 19 A N1 . 30730 1 337 . 1 . 1 19 19 A N3 N 15 214.37 0.055 . 1 . . . . A 19 A N3 . 30730 1 338 . 1 . 1 19 19 A N7 N 15 231.81 0.055 . 1 . . . . A 19 A N7 . 30730 1 339 . 1 . 1 19 19 A N9 N 15 171.55 0.055 . 1 . . . . A 19 A N9 . 30730 1 340 . 1 . 1 20 20 U H1' H 1 5.41 0.015 . 1 . . . . A 20 U H1' . 30730 1 341 . 1 . 1 20 20 U H2' H 1 4.21 0.015 . 1 . . . . A 20 U H2' . 30730 1 342 . 1 . 1 20 20 U H3' H 1 4.40 0.015 . 1 . . . . A 20 U H3' . 30730 1 343 . 1 . 1 20 20 U H4' H 1 4.28 0.015 . 1 . . . . A 20 U H4' . 30730 1 344 . 1 . 1 20 20 U H5 H 1 5.16 0.015 . 1 . . . . A 20 U H5 . 30730 1 345 . 1 . 1 20 20 U H5' H 1 4.37 0.015 . 2 . . . . A 20 U H5' . 30730 1 346 . 1 . 1 20 20 U H5'' H 1 3.99 0.015 . 2 . . . . A 20 U H5'' . 30730 1 347 . 1 . 1 20 20 U H6 H 1 7.44 0.015 . 1 . . . . A 20 U H6 . 30730 1 348 . 1 . 1 20 20 U C1' C 13 91.64 0.075 . 1 . . . . A 20 U C1' . 30730 1 349 . 1 . 1 20 20 U C2 C 13 153.36 0.075 . 1 . . . . A 20 U C2 . 30730 1 350 . 1 . 1 20 20 U C2' C 13 74.91 0.075 . 1 . . . . A 20 U C2' . 30730 1 351 . 1 . 1 20 20 U C3' C 13 72.60 0.075 . 1 . . . . A 20 U C3' . 30730 1 352 . 1 . 1 20 20 U C4' C 13 81.05 0.075 . 1 . . . . A 20 U C4' . 30730 1 353 . 1 . 1 20 20 U C5 C 13 102.97 0.075 . 1 . . . . A 20 U C5 . 30730 1 354 . 1 . 1 20 20 U C5' C 13 64.35 0.075 . 1 . . . . A 20 U C5' . 30730 1 355 . 1 . 1 20 20 U C6 C 13 141.46 0.075 . 1 . . . . A 20 U C6 . 30730 1 356 . 1 . 1 21 21 A H1' H 1 5.71 0.015 . 1 . . . . A 21 A H1' . 30730 1 357 . 1 . 1 21 21 A H2 H 1 7.37 0.015 . 1 . . . . A 21 A H2 . 30730 1 358 . 1 . 1 21 21 A H2' H 1 4.47 0.015 . 1 . . . . A 21 A H2' . 30730 1 359 . 1 . 1 21 21 A H3' H 1 4.26 0.015 . 1 . . . . A 21 A H3' . 30730 1 360 . 1 . 1 21 21 A H4' H 1 4.46 0.015 . 1 . . . . A 21 A H4' . 30730 1 361 . 1 . 1 21 21 A H5' H 1 4.28 0.015 . 2 . . . . A 21 A H5' . 30730 1 362 . 1 . 1 21 21 A H5'' H 1 4.05 0.015 . 2 . . . . A 21 A H5'' . 30730 1 363 . 1 . 1 21 21 A H8 H 1 7.92 0.015 . 1 . . . . A 21 A H8 . 30730 1 364 . 1 . 1 21 21 A C1' C 13 91.51 0.075 . 1 . . . . A 21 A C1' . 30730 1 365 . 1 . 1 21 21 A C2 C 13 154.06 0.075 . 1 . . . . A 21 A C2 . 30730 1 366 . 1 . 1 21 21 A C2' C 13 74.58 0.075 . 1 . . . . A 21 A C2' . 30730 1 367 . 1 . 1 21 21 A C3' C 13 73.66 0.075 . 1 . . . . A 21 A C3' . 30730 1 368 . 1 . 1 21 21 A C4' C 13 83.02 0.075 . 1 . . . . A 21 A C4' . 30730 1 369 . 1 . 1 21 21 A C5' C 13 66.18 0.075 . 1 . . . . A 21 A C5' . 30730 1 370 . 1 . 1 21 21 A C8 C 13 140.79 0.075 . 1 . . . . A 21 A C8 . 30730 1 371 . 1 . 1 21 21 A N1 N 15 226.24 0.055 . 1 . . . . A 21 A N1 . 30730 1 372 . 1 . 1 21 21 A N3 N 15 216.30 0.055 . 1 . . . . A 21 A N3 . 30730 1 373 . 1 . 1 21 21 A N7 N 15 231.89 0.055 . 1 . . . . A 21 A N7 . 30730 1 374 . 1 . 1 21 21 A N9 N 15 169.69 0.055 . 1 . . . . A 21 A N9 . 30730 1 375 . 1 . 1 22 22 U H1' H 1 5.07 0.015 . 1 . . . . A 22 U H1' . 30730 1 376 . 1 . 1 22 22 U H2' H 1 4.13 0.015 . 1 . . . . A 22 U H2' . 30730 1 377 . 1 . 1 22 22 U H3 H 1 10.33 0.015 . 1 . . . . A 22 U H3 . 30730 1 378 . 1 . 1 22 22 U H3' H 1 4.22 0.015 . 1 . . . . A 22 U H3' . 30730 1 379 . 1 . 1 22 22 U H4' H 1 4.29 0.015 . 1 . . . . A 22 U H4' . 30730 1 380 . 1 . 1 22 22 U H5 H 1 5.12 0.015 . 1 . . . . A 22 U H5 . 30730 1 381 . 1 . 1 22 22 U H5' H 1 4.28 0.015 . 2 . . . . A 22 U H5' . 30730 1 382 . 1 . 1 22 22 U H5'' H 1 4.00 0.015 . 2 . . . . A 22 U H5'' . 30730 1 383 . 1 . 1 22 22 U H6 H 1 7.37 0.015 . 1 . . . . A 22 U H6 . 30730 1 384 . 1 . 1 22 22 U C1' C 13 92.68 0.075 . 1 . . . . A 22 U C1' . 30730 1 385 . 1 . 1 22 22 U C2 C 13 152.25 0.075 . 1 . . . . A 22 U C2 . 30730 1 386 . 1 . 1 22 22 U C2' C 13 74.00 0.075 . 1 . . . . A 22 U C2' . 30730 1 387 . 1 . 1 22 22 U C3' C 13 71.94 0.075 . 1 . . . . A 22 U C3' . 30730 1 388 . 1 . 1 22 22 U C4 C 13 168.23 0.075 . 1 . . . . A 22 U C4 . 30730 1 389 . 1 . 1 22 22 U C4' C 13 81.01 0.075 . 1 . . . . A 22 U C4' . 30730 1 390 . 1 . 1 22 22 U C5 C 13 102.57 0.075 . 1 . . . . A 22 U C5 . 30730 1 391 . 1 . 1 22 22 U C5' C 13 64.27 0.075 . 1 . . . . A 22 U C5' . 30730 1 392 . 1 . 1 22 22 U C6 C 13 142.33 0.075 . 1 . . . . A 22 U C6 . 30730 1 393 . 1 . 1 22 22 U N3 N 15 156.71 0.055 . 1 . . . . A 22 U N3 . 30730 1 394 . 1 . 1 23 23 C H1' H 1 5.49 0.015 . 1 . . . . A 23 C H1' . 30730 1 395 . 1 . 1 23 23 C H2' H 1 4.41 0.015 . 1 . . . . A 23 C H2' . 30730 1 396 . 1 . 1 23 23 C H3' H 1 4.50 0.015 . 1 . . . . A 23 C H3' . 30730 1 397 . 1 . 1 23 23 C H4' H 1 4.26 0.015 . 1 . . . . A 23 C H4' . 30730 1 398 . 1 . 1 23 23 C H5 H 1 5.68 0.015 . 1 . . . . A 23 C H5 . 30730 1 399 . 1 . 1 23 23 C H5' H 1 4.34 0.015 . 2 . . . . A 23 C H5' . 30730 1 400 . 1 . 1 23 23 C H5'' H 1 4.03 0.015 . 2 . . . . A 23 C H5'' . 30730 1 401 . 1 . 1 23 23 C H6 H 1 7.85 0.015 . 1 . . . . A 23 C H6 . 30730 1 402 . 1 . 1 23 23 C H41 H 1 6.90 0.015 . 2 . . . . A 23 C H41 . 30730 1 403 . 1 . 1 23 23 C H42 H 1 8.19 0.015 . 2 . . . . A 23 C H42 . 30730 1 404 . 1 . 1 23 23 C C1' C 13 92.03 0.075 . 1 . . . . A 23 C C1' . 30730 1 405 . 1 . 1 23 23 C C2 C 13 159.35 0.075 . 1 . . . . A 23 C C2 . 30730 1 406 . 1 . 1 23 23 C C2' C 13 74.71 0.075 . 1 . . . . A 23 C C2' . 30730 1 407 . 1 . 1 23 23 C C3' C 13 72.33 0.075 . 1 . . . . A 23 C C3' . 30730 1 408 . 1 . 1 23 23 C C4' C 13 81.97 0.075 . 1 . . . . A 23 C C4' . 30730 1 409 . 1 . 1 23 23 C C5 C 13 97.47 0.075 . 1 . . . . A 23 C C5 . 30730 1 410 . 1 . 1 23 23 C C5' C 13 64.22 0.075 . 1 . . . . A 23 C C5' . 30730 1 411 . 1 . 1 23 23 C C6 C 13 142.19 0.075 . 1 . . . . A 23 C C6 . 30730 1 412 . 1 . 1 23 23 C N4 N 15 97.81 0.055 . 1 . . . . A 23 C N4 . 30730 1 413 . 1 . 1 24 24 A H1' H 1 5.83 0.015 . 1 . . . . A 24 A H1' . 30730 1 414 . 1 . 1 24 24 A H2 H 1 6.99 0.015 . 1 . . . . A 24 A H2 . 30730 1 415 . 1 . 1 24 24 A H2' H 1 4.61 0.015 . 1 . . . . A 24 A H2' . 30730 1 416 . 1 . 1 24 24 A H3' H 1 4.58 0.015 . 1 . . . . A 24 A H3' . 30730 1 417 . 1 . 1 24 24 A H4' H 1 4.47 0.015 . 1 . . . . A 24 A H4' . 30730 1 418 . 1 . 1 24 24 A H5' H 1 4.45 0.015 . 2 . . . . A 24 A H5' . 30730 1 419 . 1 . 1 24 24 A H5'' H 1 4.12 0.015 . 2 . . . . A 24 A H5'' . 30730 1 420 . 1 . 1 24 24 A H8 H 1 7.98 0.015 . 1 . . . . A 24 A H8 . 30730 1 421 . 1 . 1 24 24 A C1' C 13 92.16 0.075 . 1 . . . . A 24 A C1' . 30730 1 422 . 1 . 1 24 24 A C2 C 13 152.93 0.075 . 1 . . . . A 24 A C2 . 30730 1 423 . 1 . 1 24 24 A C2' C 13 74.68 0.075 . 1 . . . . A 24 A C2' . 30730 1 424 . 1 . 1 24 24 A C3' C 13 72.80 0.075 . 1 . . . . A 24 A C3' . 30730 1 425 . 1 . 1 24 24 A C4' C 13 81.57 0.075 . 1 . . . . A 24 A C4' . 30730 1 426 . 1 . 1 24 24 A C5' C 13 65.43 0.075 . 1 . . . . A 24 A C5' . 30730 1 427 . 1 . 1 24 24 A C8 C 13 140.06 0.075 . 1 . . . . A 24 A C8 . 30730 1 428 . 1 . 1 24 24 A N1 N 15 220.75 0.055 . 1 . . . . A 24 A N1 . 30730 1 429 . 1 . 1 24 24 A N3 N 15 213.85 0.055 . 1 . . . . A 24 A N3 . 30730 1 430 . 1 . 1 24 24 A N7 N 15 231.22 0.055 . 1 . . . . A 24 A N7 . 30730 1 431 . 1 . 1 24 24 A N9 N 15 170.80 0.055 . 1 . . . . A 24 A N9 . 30730 1 432 . 1 . 1 25 25 G H1 H 1 13.37 0.015 . 1 . . . . A 25 G H1 . 30730 1 433 . 1 . 1 25 25 G H1' H 1 5.59 0.015 . 1 . . . . A 25 G H1' . 30730 1 434 . 1 . 1 25 25 G H2' H 1 4.32 0.015 . 1 . . . . A 25 G H2' . 30730 1 435 . 1 . 1 25 25 G H3' H 1 4.40 0.015 . 1 . . . . A 25 G H3' . 30730 1 436 . 1 . 1 25 25 G H4' H 1 4.38 0.015 . 1 . . . . A 25 G H4' . 30730 1 437 . 1 . 1 25 25 G H5' H 1 4.42 0.015 . 2 . . . . A 25 G H5' . 30730 1 438 . 1 . 1 25 25 G H5'' H 1 4.01 0.015 . 2 . . . . A 25 G H5'' . 30730 1 439 . 1 . 1 25 25 G H8 H 1 7.27 0.015 . 1 . . . . A 25 G H8 . 30730 1 440 . 1 . 1 25 25 G C1' C 13 91.77 0.075 . 1 . . . . A 25 G C1' . 30730 1 441 . 1 . 1 25 25 G C2 C 13 157.27 0.075 . 1 . . . . A 25 G C2 . 30730 1 442 . 1 . 1 25 25 G C2' C 13 74.45 0.075 . 1 . . . . A 25 G C2' . 30730 1 443 . 1 . 1 25 25 G C3' C 13 71.82 0.075 . 1 . . . . A 25 G C3' . 30730 1 444 . 1 . 1 25 25 G C4' C 13 81.11 0.075 . 1 . . . . A 25 G C4' . 30730 1 445 . 1 . 1 25 25 G C5' C 13 64.52 0.075 . 1 . . . . A 25 G C5' . 30730 1 446 . 1 . 1 25 25 G C6 C 13 161.67 0.075 . 1 . . . . A 25 G C6 . 30730 1 447 . 1 . 1 25 25 G C8 C 13 136.03 0.075 . 1 . . . . A 25 G C8 . 30730 1 448 . 1 . 1 25 25 G N1 N 15 148.51 0.055 . 1 . . . . A 25 G N1 . 30730 1 449 . 1 . 1 25 25 G N7 N 15 234.63 0.055 . 1 . . . . A 25 G N7 . 30730 1 450 . 1 . 1 25 25 G N9 N 15 169.76 0.055 . 1 . . . . A 25 G N9 . 30730 1 451 . 1 . 1 26 26 C H1' H 1 5.40 0.015 . 1 . . . . A 26 C H1' . 30730 1 452 . 1 . 1 26 26 C H2' H 1 4.26 0.015 . 1 . . . . A 26 C H2' . 30730 1 453 . 1 . 1 26 26 C H3' H 1 4.42 0.015 . 1 . . . . A 26 C H3' . 30730 1 454 . 1 . 1 26 26 C H4' H 1 4.31 0.015 . 1 . . . . A 26 C H4' . 30730 1 455 . 1 . 1 26 26 C H5 H 1 5.08 0.015 . 1 . . . . A 26 C H5 . 30730 1 456 . 1 . 1 26 26 C H5' H 1 4.46 0.015 . 2 . . . . A 26 C H5' . 30730 1 457 . 1 . 1 26 26 C H5'' H 1 3.98 0.015 . 2 . . . . A 26 C H5'' . 30730 1 458 . 1 . 1 26 26 C H6 H 1 7.55 0.015 . 1 . . . . A 26 C H6 . 30730 1 459 . 1 . 1 26 26 C H41 H 1 6.76 0.015 . 2 . . . . A 26 C H41 . 30730 1 460 . 1 . 1 26 26 C H42 H 1 8.42 0.015 . 2 . . . . A 26 C H42 . 30730 1 461 . 1 . 1 26 26 C C1' C 13 93.13 0.075 . 1 . . . . A 26 C C1' . 30730 1 462 . 1 . 1 26 26 C C2 C 13 159.11 0.075 . 1 . . . . A 26 C C2 . 30730 1 463 . 1 . 1 26 26 C C2' C 13 74.65 0.075 . 1 . . . . A 26 C C2' . 30730 1 464 . 1 . 1 26 26 C C3' C 13 72.47 0.075 . 1 . . . . A 26 C C3' . 30730 1 465 . 1 . 1 26 26 C C4' C 13 81.71 0.075 . 1 . . . . A 26 C C4' . 30730 1 466 . 1 . 1 26 26 C C5 C 13 96.24 0.075 . 1 . . . . A 26 C C5 . 30730 1 467 . 1 . 1 26 26 C C5' C 13 64.72 0.075 . 1 . . . . A 26 C C5' . 30730 1 468 . 1 . 1 26 26 C C6 C 13 141.19 0.075 . 1 . . . . A 26 C C6 . 30730 1 469 . 1 . 1 26 26 C N4 N 15 98.49 0.055 . 1 . . . . A 26 C N4 . 30730 1 470 . 1 . 1 27 27 C H1' H 1 5.43 0.015 . 1 . . . . A 27 C H1' . 30730 1 471 . 1 . 1 27 27 C H2' H 1 4.34 0.015 . 1 . . . . A 27 C H2' . 30730 1 472 . 1 . 1 27 27 C H4' H 1 4.39 0.015 . 1 . . . . A 27 C H4' . 30730 1 473 . 1 . 1 27 27 C H5 H 1 5.40 0.015 . 1 . . . . A 27 C H5 . 30730 1 474 . 1 . 1 27 27 C H5' H 1 4.37 0.015 . 2 . . . . A 27 C H5' . 30730 1 475 . 1 . 1 27 27 C H5'' H 1 3.97 0.015 . 2 . . . . A 27 C H5'' . 30730 1 476 . 1 . 1 27 27 C H6 H 1 7.70 0.015 . 1 . . . . A 27 C H6 . 30730 1 477 . 1 . 1 27 27 C H41 H 1 6.76 0.015 . 2 . . . . A 27 C H41 . 30730 1 478 . 1 . 1 27 27 C H42 H 1 8.45 0.015 . 2 . . . . A 27 C H42 . 30730 1 479 . 1 . 1 27 27 C C1' C 13 93.22 0.075 . 1 . . . . A 27 C C1' . 30730 1 480 . 1 . 1 27 27 C C2 C 13 159.29 0.075 . 1 . . . . A 27 C C2 . 30730 1 481 . 1 . 1 27 27 C C2' C 13 74.71 0.075 . 1 . . . . A 27 C C2' . 30730 1 482 . 1 . 1 27 27 C C4' C 13 81.01 0.075 . 1 . . . . A 27 C C4' . 30730 1 483 . 1 . 1 27 27 C C5 C 13 96.95 0.075 . 1 . . . . A 27 C C5 . 30730 1 484 . 1 . 1 27 27 C C5' C 13 63.61 0.075 . 1 . . . . A 27 C C5' . 30730 1 485 . 1 . 1 27 27 C C6 C 13 141.65 0.075 . 1 . . . . A 27 C C6 . 30730 1 486 . 1 . 1 27 27 C N4 N 15 98.29 0.055 . 1 . . . . A 27 C N4 . 30730 1 487 . 1 . 1 28 28 C H1' H 1 5.67 0.015 . 1 . . . . A 28 C H1' . 30730 1 488 . 1 . 1 28 28 C H2' H 1 3.92 0.015 . 1 . . . . A 28 C H2' . 30730 1 489 . 1 . 1 28 28 C H3' H 1 4.12 0.015 . 1 . . . . A 28 C H3' . 30730 1 490 . 1 . 1 28 28 C H4' H 1 4.09 0.015 . 1 . . . . A 28 C H4' . 30730 1 491 . 1 . 1 28 28 C H5 H 1 5.43 0.015 . 1 . . . . A 28 C H5 . 30730 1 492 . 1 . 1 28 28 C H5' H 1 4.40 0.015 . 2 . . . . A 28 C H5' . 30730 1 493 . 1 . 1 28 28 C H5'' H 1 3.94 0.015 . 2 . . . . A 28 C H5'' . 30730 1 494 . 1 . 1 28 28 C H6 H 1 7.61 0.015 . 1 . . . . A 28 C H6 . 30730 1 495 . 1 . 1 28 28 C H41 H 1 7.01 0.015 . 2 . . . . A 28 C H41 . 30730 1 496 . 1 . 1 28 28 C H42 H 1 8.17 0.015 . 2 . . . . A 28 C H42 . 30730 1 497 . 1 . 1 28 28 C C1' C 13 91.90 0.075 . 1 . . . . A 28 C C1' . 30730 1 498 . 1 . 1 28 28 C C2 C 13 160.22 0.075 . 1 . . . . A 28 C C2 . 30730 1 499 . 1 . 1 28 28 C C2' C 13 76.70 0.075 . 1 . . . . A 28 C C2' . 30730 1 500 . 1 . 1 28 28 C C3' C 13 68.84 0.075 . 1 . . . . A 28 C C3' . 30730 1 501 . 1 . 1 28 28 C C4' C 13 82.63 0.075 . 1 . . . . A 28 C C4' . 30730 1 502 . 1 . 1 28 28 C C5 C 13 97.28 0.075 . 1 . . . . A 28 C C5 . 30730 1 503 . 1 . 1 28 28 C C5' C 13 64.35 0.075 . 1 . . . . A 28 C C5' . 30730 1 504 . 1 . 1 28 28 C C6 C 13 142.10 0.075 . 1 . . . . A 28 C C6 . 30730 1 505 . 1 . 1 28 28 C N4 N 15 96.92 0.055 . 1 . . . . A 28 C N4 . 30730 1 stop_ save_