data_19545 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19545 _Entry.Title ; The Solution Structure of a cGCUUAg RNA Pentaloop from Bovine Enterovirus Vir404/03 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-11 _Entry.Accession_date 2013-10-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yvonne Ihle . . . 19545 2 Roland Zell . . . 19545 3 Matthias Gorlach . . . 19545 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19545 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 5'-NTR . 19545 'bovine enterovirus' . 19545 cloverleaf . 19545 pentaloop . 19545 RNA . 19545 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19545 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 132 19545 '15N chemical shifts' 17 19545 '1H chemical shifts' 190 19545 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-10-21 2013-10-10 update BMRB 'update entity db link loop' 19545 1 . . 2014-10-13 2013-10-10 original author 'original release' 19545 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mfd 'BMRB Entry Tracking System' 19545 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19545 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The Solution Structure of a cGCUUAg RNA Pentaloop from Bovine Enterovirus Vir 404/03' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Yvonne Ihle . . . 19545 1 2 Roland Zell . . . 19545 1 3 Matthias Gorlach . . . 19545 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19545 _Assembly.ID 1 _Assembly.Name 'cGCUUAg RNA Pentaloop from Bovine Enterovirus Vir404/03' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (5'-R(P*GP*GP*CP*GP*UP*UP*CP*GP*CP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)-3')' 1 $BEVSLD5 A . yes native no no . . . 19545 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BEVSLD5 _Entity.Sf_category entity _Entity.Sf_framecode BEVSLD5 _Entity.Entry_ID 19545 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BEVSLD5 _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 GGCGUUCGCUUAGAACGUC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 55-57 and 71-73 are non-native and were attached facilitating transcription and purification.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6070.675 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB DQ092771.1 . 'Enterovirus E isolate Vir 404/03 polyprotein gene, complete cds' . . . . . . . . . . . . . . 19545 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 55 G . 19545 1 2 56 G . 19545 1 3 57 C . 19545 1 4 58 G . 19545 1 5 59 U . 19545 1 6 60 U . 19545 1 7 61 C . 19545 1 8 62 G . 19545 1 9 63 C . 19545 1 10 64 U . 19545 1 11 65 U . 19545 1 12 66 A . 19545 1 13 67 G . 19545 1 14 68 A . 19545 1 15 69 A . 19545 1 16 70 C . 19545 1 17 71 G . 19545 1 18 72 U . 19545 1 19 73 C . 19545 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 19545 1 . G 2 2 19545 1 . C 3 3 19545 1 . G 4 4 19545 1 . U 5 5 19545 1 . U 6 6 19545 1 . C 7 7 19545 1 . G 8 8 19545 1 . C 9 9 19545 1 . U 10 10 19545 1 . U 11 11 19545 1 . A 12 12 19545 1 . G 13 13 19545 1 . A 14 14 19545 1 . A 15 15 19545 1 . C 16 16 19545 1 . G 17 17 19545 1 . U 18 18 19545 1 . C 19 19 19545 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 19545 _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 $BEVSLD5 . 12064 virus . 'Enterovirus E' 'bovine enterovirus' . . Viruses . Enterovirus E . 084-Vir404/03 . . . . . . . . . . . . . . . . 'apical part of stemloop D from the first cloverleaf of bovine enterovirus' . . 19545 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 19545 _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 $BEVSLD5 . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'in vitro transcription, T7 RNA polymerase' . . 19545 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unl-BEVSLD5 _Sample.Sf_category sample _Sample.Sf_framecode unl-BEVSLD5 _Sample.Entry_ID 19545 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BEVSLD5 'natural abundance' . . 1 $BEVSLD5 . . 1.1 . . mM . . . . 19545 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19545 1 3 'potassium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 19545 1 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 19545 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19545 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19545 1 stop_ save_ save_BEVSLD5_1 _Sample.Sf_category sample _Sample.Sf_framecode BEVSLD5_1 _Sample.Entry_ID 19545 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BEVSLD5 '[U-100% 13C; U-100% 15N]' . . 1 $BEVSLD5 . . 0.9 . . mM . . . . 19545 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19545 2 3 'potassium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 19545 2 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 19545 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19545 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19545 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 19545 1 pH 6.2 . pH 19545 1 pressure 1 . atm 19545 1 temperature 293 . K 19545 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 19545 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 19545 2 pH 6.2 . pH 19545 2 pressure 1 . atm 19545 2 temperature 278 . K 19545 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19545 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19545 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19545 1 processing 19545 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19545 _Software.ID 2 _Software.Name CARA _Software.Version 1.5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 19545 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19545 2 'peak picking' 19545 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19545 _Software.ID 3 _Software.Name CYANA _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19545 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19545 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19545 _Software.ID 4 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19545 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19545 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19545 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19545 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19545 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19545 1 2 spectrometer_2 Bruker Avance . 750 . . . 19545 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 19545 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $unl-BEVSLD5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 2 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $unl-BEVSLD5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 3 '2D 1H-1H COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $unl-BEVSLD5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 4 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $unl-BEVSLD5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 5 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $unl-BEVSLD5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 6 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $unl-BEVSLD5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 7 '2D HcncH + 2D HccH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $BEVSLD5_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 8 '2D HcnH + 2D HccH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $BEVSLD5_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 9 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $BEVSLD5_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 10 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $BEVSLD5_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 11 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $BEVSLD5_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19545 1 12 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $unl-BEVSLD5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19545 1 13 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $BEVSLD5_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19545 1 14 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $BEVSLD5_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19545 1 15 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $unl-BEVSLD5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19545 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19545 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19545 _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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . . . . . 19545 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . . . . . 19545 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical . . . . . . . 19545 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19545 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aliphatic' . . . 19545 1 2 '2D 1H-13C HSQC aromatic' . . . 19545 1 3 '2D 1H-1H COSY' . . . 19545 1 4 '2D 1H-1H NOESY' . . . 19545 1 7 '2D HcncH + 2D HccH-COSY' . . . 19545 1 8 '2D HcnH + 2D HccH-TOCSY' . . . 19545 1 9 '3D HCCH-COSY' . . . 19545 1 10 '3D 1H-13C NOESY aliphatic' . . . 19545 1 11 '3D 1H-13C NOESY aromatic' . . . 19545 1 12 '2D 1H-1H NOESY' . . . 19545 1 15 '2D 1H-1H TOCSY' . . . 19545 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.925 0.010 . 1 . . . A 55 G H1 . 19545 1 2 . 1 1 1 1 G H1' H 1 5.802 0.010 . 1 . . . A 55 G H1' . 19545 1 3 . 1 1 1 1 G H2' H 1 4.795 0.010 . 1 . . . A 55 G H2' . 19545 1 4 . 1 1 1 1 G H3' H 1 4.714 0.010 . 1 . . . A 55 G H3' . 19545 1 5 . 1 1 1 1 G H4' H 1 4.535 0.010 . 1 . . . A 55 G H4' . 19545 1 6 . 1 1 1 1 G H5' H 1 4.478 0.010 . 2 . . . A 55 G H5' . 19545 1 7 . 1 1 1 1 G H5'' H 1 4.271 0.010 . 2 . . . A 55 G H5'' . 19545 1 8 . 1 1 1 1 G H8 H 1 8.193 0.010 . 1 . . . A 55 G H8 . 19545 1 9 . 1 1 1 1 G HO2' H 1 6.856 0.010 . 1 . . . A 55 G HO2' . 19545 1 10 . 1 1 1 1 G C1' C 13 92.606 0.100 . 1 . . . A 55 G C1' . 19545 1 11 . 1 1 1 1 G C2' C 13 75.233 0.100 . 1 . . . A 55 G C2' . 19545 1 12 . 1 1 1 1 G C3' C 13 73.739 0.100 . 1 . . . A 55 G C3' . 19545 1 13 . 1 1 1 1 G C4' C 13 83.000 0.100 . 1 . . . A 55 G C4' . 19545 1 14 . 1 1 1 1 G C5' C 13 66.500 0.100 . 1 . . . A 55 G C5' . 19545 1 15 . 1 1 1 1 G C8 C 13 139.435 0.100 . 1 . . . A 55 G C8 . 19545 1 16 . 1 1 1 1 G N9 N 15 169.205 0.120 . 1 . . . A 55 G N9 . 19545 1 17 . 1 1 2 2 G H1 H 1 11.685 0.010 . 1 . . . A 56 G H1 . 19545 1 18 . 1 1 2 2 G H1' H 1 5.900 0.010 . 1 . . . A 56 G H1' . 19545 1 19 . 1 1 2 2 G H2' H 1 4.662 0.010 . 1 . . . A 56 G H2' . 19545 1 20 . 1 1 2 2 G H3' H 1 4.527 0.010 . 1 . . . A 56 G H3' . 19545 1 21 . 1 1 2 2 G H4' H 1 4.500 0.010 . 1 . . . A 56 G H4' . 19545 1 22 . 1 1 2 2 G H5' H 1 4.510 0.010 . 1 . . . A 56 G H5' . 19545 1 23 . 1 1 2 2 G H5'' H 1 4.161 0.010 . 1 . . . A 56 G H5'' . 19545 1 24 . 1 1 2 2 G H8 H 1 7.538 0.010 . 1 . . . A 56 G H8 . 19545 1 25 . 1 1 2 2 G H21 H 1 6.218 0.010 . 1 . . . A 56 G H21 . 19545 1 26 . 1 1 2 2 G H22 H 1 6.218 0.010 . 1 . . . A 56 G H22 . 19545 1 27 . 1 1 2 2 G HO2' H 1 7.097 0.010 . 1 . . . A 56 G HO2' . 19545 1 28 . 1 1 2 2 G C1' C 13 93.178 0.100 . 1 . . . A 56 G C1' . 19545 1 29 . 1 1 2 2 G C2' C 13 75.278 0.100 . 1 . . . A 56 G C2' . 19545 1 30 . 1 1 2 2 G C3' C 13 72.514 0.100 . 1 . . . A 56 G C3' . 19545 1 31 . 1 1 2 2 G C4' C 13 82.245 0.100 . 1 . . . A 56 G C4' . 19545 1 32 . 1 1 2 2 G C5' C 13 65.169 0.100 . 1 . . . A 56 G C5' . 19545 1 33 . 1 1 2 2 G C8 C 13 137.103 0.100 . 1 . . . A 56 G C8 . 19545 1 34 . 1 1 2 2 G N9 N 15 170.268 0.120 . 1 . . . A 56 G N9 . 19545 1 35 . 1 1 3 3 C H1' H 1 5.519 0.010 . 1 . . . A 57 C H1' . 19545 1 36 . 1 1 3 3 C H2' H 1 4.452 0.010 . 1 . . . A 57 C H2' . 19545 1 37 . 1 1 3 3 C H3' H 1 4.537 0.010 . 1 . . . A 57 C H3' . 19545 1 38 . 1 1 3 3 C H4' H 1 4.374 0.010 . 1 . . . A 57 C H4' . 19545 1 39 . 1 1 3 3 C H5 H 1 5.478 0.010 . 1 . . . A 57 C H5 . 19545 1 40 . 1 1 3 3 C H5' H 1 4.509 0.010 . 2 . . . A 57 C H5' . 19545 1 41 . 1 1 3 3 C H5'' H 1 4.075 0.010 . 2 . . . A 57 C H5'' . 19545 1 42 . 1 1 3 3 C H6 H 1 7.693 0.010 . 1 . . . A 57 C H6 . 19545 1 43 . 1 1 3 3 C H41 H 1 6.841 0.010 . 1 . . . A 57 C H41 . 19545 1 44 . 1 1 3 3 C H42 H 1 8.227 0.010 . 1 . . . A 57 C H42 . 19545 1 45 . 1 1 3 3 C HO2' H 1 6.450 0.010 . 1 . . . A 57 C HO2' . 19545 1 46 . 1 1 3 3 C C1' C 13 93.572 0.100 . 1 . . . A 57 C C1' . 19545 1 47 . 1 1 3 3 C C2' C 13 75.669 0.100 . 1 . . . A 57 C C2' . 19545 1 48 . 1 1 3 3 C C3' C 13 72.082 0.100 . 1 . . . A 57 C C3' . 19545 1 49 . 1 1 3 3 C C4' C 13 81.706 0.100 . 1 . . . A 57 C C4' . 19545 1 50 . 1 1 3 3 C C5 C 13 98.077 0.100 . 1 . . . A 57 C C5 . 19545 1 51 . 1 1 3 3 C C5' C 13 64.132 0.100 . 1 . . . A 57 C C5' . 19545 1 52 . 1 1 3 3 C C6 C 13 139.968 0.100 . 1 . . . A 57 C C6 . 19545 1 53 . 1 1 3 3 C N1 N 15 150.606 0.120 . 1 . . . A 57 C N1 . 19545 1 54 . 1 1 4 4 G H1 H 1 12.847 0.010 . 1 . . . A 58 G H1 . 19545 1 55 . 1 1 4 4 G H1' H 1 5.692 0.010 . 1 . . . A 58 G H1' . 19545 1 56 . 1 1 4 4 G H2' H 1 4.481 0.010 . 1 . . . A 58 G H2' . 19545 1 57 . 1 1 4 4 G H3' H 1 4.502 0.010 . 1 . . . A 58 G H3' . 19545 1 58 . 1 1 4 4 G H4' H 1 4.440 0.010 . 1 . . . A 58 G H4' . 19545 1 59 . 1 1 4 4 G H5' H 1 4.428 0.010 . 2 . . . A 58 G H5' . 19545 1 60 . 1 1 4 4 G H5'' H 1 4.070 0.010 . 2 . . . A 58 G H5'' . 19545 1 61 . 1 1 4 4 G H8 H 1 7.484 0.010 . 1 . . . A 58 G H8 . 19545 1 62 . 1 1 4 4 G H21 H 1 5.996 0.010 . 1 . . . A 58 G H21 . 19545 1 63 . 1 1 4 4 G H22 H 1 5.996 0.010 . 1 . . . A 58 G H22 . 19545 1 64 . 1 1 4 4 G HO2' H 1 6.841 0.010 . 1 . . . A 58 G HO2' . 19545 1 65 . 1 1 4 4 G C1' C 13 93.277 0.100 . 1 . . . A 58 G C1' . 19545 1 66 . 1 1 4 4 G C2' C 13 75.319 0.100 . 1 . . . A 58 G C2' . 19545 1 67 . 1 1 4 4 G C3' C 13 73.068 0.100 . 1 . . . A 58 G C3' . 19545 1 68 . 1 1 4 4 G C4' C 13 82.014 0.100 . 1 . . . A 58 G C4' . 19545 1 69 . 1 1 4 4 G C5' C 13 65.717 0.100 . 1 . . . A 58 G C5' . 19545 1 70 . 1 1 4 4 G C8 C 13 136.129 0.100 . 1 . . . A 58 G C8 . 19545 1 71 . 1 1 4 4 G N9 N 15 168.742 0.120 . 1 . . . A 58 G N9 . 19545 1 72 . 1 1 5 5 U H1' H 1 5.518 0.010 . 1 . . . A 59 U H1' . 19545 1 73 . 1 1 5 5 U H2' H 1 4.389 0.010 . 1 . . . A 59 U H2' . 19545 1 74 . 1 1 5 5 U H3 H 1 14.257 0.010 . 1 . . . A 59 U H3 . 19545 1 75 . 1 1 5 5 U H3' H 1 4.460 0.010 . 1 . . . A 59 U H3' . 19545 1 76 . 1 1 5 5 U H4' H 1 4.397 0.010 . 1 . . . A 59 U H4' . 19545 1 77 . 1 1 5 5 U H5 H 1 5.037 0.010 . 1 . . . A 59 U H5 . 19545 1 78 . 1 1 5 5 U H5' H 1 4.536 0.010 . 2 . . . A 59 U H5' . 19545 1 79 . 1 1 5 5 U H5'' H 1 4.057 0.010 . 2 . . . A 59 U H5'' . 19545 1 80 . 1 1 5 5 U H6 H 1 7.815 0.010 . 1 . . . A 59 U H6 . 19545 1 81 . 1 1 5 5 U HO2' H 1 6.915 0.010 . 1 . . . A 59 U HO2' . 19545 1 82 . 1 1 5 5 U C1' C 13 93.903 0.100 . 1 . . . A 59 U C1' . 19545 1 83 . 1 1 5 5 U C2' C 13 75.199 0.100 . 1 . . . A 59 U C2' . 19545 1 84 . 1 1 5 5 U C3' C 13 72.122 0.100 . 1 . . . A 59 U C3' . 19545 1 85 . 1 1 5 5 U C4' C 13 82.198 0.100 . 1 . . . A 59 U C4' . 19545 1 86 . 1 1 5 5 U C5 C 13 102.618 0.100 . 1 . . . A 59 U C5 . 19545 1 87 . 1 1 5 5 U C5' C 13 64.342 0.100 . 1 . . . A 59 U C5' . 19545 1 88 . 1 1 5 5 U C6 C 13 142.011 0.100 . 1 . . . A 59 U C6 . 19545 1 89 . 1 1 6 6 U H1' H 1 5.625 0.010 . 1 . . . A 60 U H1' . 19545 1 90 . 1 1 6 6 U H2' H 1 4.360 0.010 . 1 . . . A 60 U H2' . 19545 1 91 . 1 1 6 6 U H3 H 1 13.653 0.010 . 1 . . . A 60 U H3 . 19545 1 92 . 1 1 6 6 U H3' H 1 4.480 0.010 . 1 . . . A 60 U H3' . 19545 1 93 . 1 1 6 6 U H4' H 1 4.389 0.010 . 1 . . . A 60 U H4' . 19545 1 94 . 1 1 6 6 U H5 H 1 5.537 0.010 . 1 . . . A 60 U H5 . 19545 1 95 . 1 1 6 6 U H5' H 1 4.517 0.010 . 2 . . . A 60 U H5' . 19545 1 96 . 1 1 6 6 U H5'' H 1 4.063 0.010 . 2 . . . A 60 U H5'' . 19545 1 97 . 1 1 6 6 U H6 H 1 7.989 0.010 . 1 . . . A 60 U H6 . 19545 1 98 . 1 1 6 6 U HO2' H 1 6.690 0.010 . 1 . . . A 60 U HO2' . 19545 1 99 . 1 1 6 6 U C1' C 13 93.586 0.100 . 1 . . . A 60 U C1' . 19545 1 100 . 1 1 6 6 U C2 C 13 152.805 0.100 . 1 . . . A 60 U C2 . 19545 1 101 . 1 1 6 6 U C2' C 13 75.521 0.100 . 1 . . . A 60 U C2' . 19545 1 102 . 1 1 6 6 U C3' C 13 72.289 0.100 . 1 . . . A 60 U C3' . 19545 1 103 . 1 1 6 6 U C4' C 13 81.993 0.100 . 1 . . . A 60 U C4' . 19545 1 104 . 1 1 6 6 U C5 C 13 103.315 0.100 . 1 . . . A 60 U C5 . 19545 1 105 . 1 1 6 6 U C5' C 13 64.437 0.100 . 1 . . . A 60 U C5' . 19545 1 106 . 1 1 6 6 U C6 C 13 142.578 0.100 . 1 . . . A 60 U C6 . 19545 1 107 . 1 1 6 6 U N1 N 15 147.020 0.120 . 1 . . . A 60 U N1 . 19545 1 108 . 1 1 7 7 C H1' H 1 5.541 0.010 . 1 . . . A 61 C H1' . 19545 1 109 . 1 1 7 7 C H2' H 1 4.590 0.010 . 1 . . . A 61 C H2' . 19545 1 110 . 1 1 7 7 C H3' H 1 4.366 0.010 . 1 . . . A 61 C H3' . 19545 1 111 . 1 1 7 7 C H4' H 1 4.359 0.010 . 1 . . . A 61 C H4' . 19545 1 112 . 1 1 7 7 C H5 H 1 5.527 0.010 . 1 . . . A 61 C H5 . 19545 1 113 . 1 1 7 7 C H5' H 1 4.445 0.010 . 2 . . . A 61 C H5' . 19545 1 114 . 1 1 7 7 C H5'' H 1 4.050 0.010 . 2 . . . A 61 C H5'' . 19545 1 115 . 1 1 7 7 C H6 H 1 7.739 0.010 . 1 . . . A 61 C H6 . 19545 1 116 . 1 1 7 7 C H41 H 1 6.723 0.010 . 1 . . . A 61 C H41 . 19545 1 117 . 1 1 7 7 C H42 H 1 8.117 0.010 . 1 . . . A 61 C H42 . 19545 1 118 . 1 1 7 7 C HO2' H 1 6.544 0.010 . 1 . . . A 61 C HO2' . 19545 1 119 . 1 1 7 7 C C1' C 13 93.642 0.100 . 1 . . . A 61 C C1' . 19545 1 120 . 1 1 7 7 C C2' C 13 75.605 0.100 . 1 . . . A 61 C C2' . 19545 1 121 . 1 1 7 7 C C3' C 13 72.482 0.100 . 1 . . . A 61 C C3' . 19545 1 122 . 1 1 7 7 C C4' C 13 81.852 0.100 . 1 . . . A 61 C C4' . 19545 1 123 . 1 1 7 7 C C5 C 13 97.960 0.100 . 1 . . . A 61 C C5 . 19545 1 124 . 1 1 7 7 C C5' C 13 64.964 0.100 . 1 . . . A 61 C C5' . 19545 1 125 . 1 1 7 7 C C6 C 13 140.994 0.100 . 1 . . . A 61 C C6 . 19545 1 126 . 1 1 7 7 C N1 N 15 150.679 0.120 . 1 . . . A 61 C N1 . 19545 1 127 . 1 1 8 8 G H1 H 1 10.352 0.010 . 1 . . . A 62 G H1 . 19545 1 128 . 1 1 8 8 G H1' H 1 5.546 0.010 . 1 . . . A 62 G H1' . 19545 1 129 . 1 1 8 8 G H2' H 1 4.344 0.010 . 1 . . . A 62 G H2' . 19545 1 130 . 1 1 8 8 G H3' H 1 4.236 0.010 . 1 . . . A 62 G H3' . 19545 1 131 . 1 1 8 8 G H4' H 1 4.378 0.010 . 1 . . . A 62 G H4' . 19545 1 132 . 1 1 8 8 G H5' H 1 4.299 0.010 . 1 . . . A 62 G H5' . 19545 1 133 . 1 1 8 8 G H5'' H 1 4.005 0.010 . 1 . . . A 62 G H5'' . 19545 1 134 . 1 1 8 8 G H8 H 1 7.425 0.010 . 1 . . . A 62 G H8 . 19545 1 135 . 1 1 8 8 G H21 H 1 5.874 0.010 . 1 . . . A 62 G H21 . 19545 1 136 . 1 1 8 8 G H22 H 1 5.874 0.010 . 1 . . . A 62 G H22 . 19545 1 137 . 1 1 8 8 G HO2' H 1 6.975 0.010 . 1 . . . A 62 G HO2' . 19545 1 138 . 1 1 8 8 G C1' C 13 93.157 0.100 . 1 . . . A 62 G C1' . 19545 1 139 . 1 1 8 8 G C2' C 13 74.731 0.100 . 1 . . . A 62 G C2' . 19545 1 140 . 1 1 8 8 G C3' C 13 73.694 0.100 . 1 . . . A 62 G C3' . 19545 1 141 . 1 1 8 8 G C4 C 13 158.620 0.100 . 1 . . . A 62 G C4 . 19545 1 142 . 1 1 8 8 G C4' C 13 82.425 0.100 . 1 . . . A 62 G C4' . 19545 1 143 . 1 1 8 8 G C5' C 13 66.346 0.100 . 1 . . . A 62 G C5' . 19545 1 144 . 1 1 8 8 G C8 C 13 136.534 0.100 . 1 . . . A 62 G C8 . 19545 1 145 . 1 1 9 9 C H1' H 1 4.838 0.010 . 1 . . . A 63 C H1' . 19545 1 146 . 1 1 9 9 C H2' H 1 3.835 0.010 . 1 . . . A 63 C H2' . 19545 1 147 . 1 1 9 9 C H3' H 1 4.133 0.010 . 1 . . . A 63 C H3' . 19545 1 148 . 1 1 9 9 C H4' H 1 3.666 0.010 . 1 . . . A 63 C H4' . 19545 1 149 . 1 1 9 9 C H5 H 1 5.215 0.010 . 1 . . . A 63 C H5 . 19545 1 150 . 1 1 9 9 C H5' H 1 3.870 0.010 . 2 . . . A 63 C H5' . 19545 1 151 . 1 1 9 9 C H5'' H 1 4.136 0.010 . 2 . . . A 63 C H5'' . 19545 1 152 . 1 1 9 9 C H6 H 1 7.345 0.010 . 1 . . . A 63 C H6 . 19545 1 153 . 1 1 9 9 C C1' C 13 93.164 0.100 . 1 . . . A 63 C C1' . 19545 1 154 . 1 1 9 9 C C2' C 13 75.583 0.100 . 1 . . . A 63 C C2' . 19545 1 155 . 1 1 9 9 C C3' C 13 73.552 0.100 . 1 . . . A 63 C C3' . 19545 1 156 . 1 1 9 9 C C4' C 13 82.715 0.100 . 1 . . . A 63 C C4' . 19545 1 157 . 1 1 9 9 C C5 C 13 96.768 0.100 . 1 . . . A 63 C C5 . 19545 1 158 . 1 1 9 9 C C5' C 13 65.069 0.100 . 1 . . . A 63 C C5' . 19545 1 159 . 1 1 9 9 C C6 C 13 141.956 0.100 . 1 . . . A 63 C C6 . 19545 1 160 . 1 1 9 9 C N1 N 15 152.436 0.120 . 1 . . . A 63 C N1 . 19545 1 161 . 1 1 10 10 U H1' H 1 5.870 0.010 . 1 . . . A 64 U H1' . 19545 1 162 . 1 1 10 10 U H2' H 1 4.286 0.010 . 1 . . . A 64 U H2' . 19545 1 163 . 1 1 10 10 U H3' H 1 4.498 0.010 . 1 . . . A 64 U H3' . 19545 1 164 . 1 1 10 10 U H4' H 1 4.280 0.010 . 1 . . . A 64 U H4' . 19545 1 165 . 1 1 10 10 U H5 H 1 5.701 0.010 . 1 . . . A 64 U H5 . 19545 1 166 . 1 1 10 10 U H5' H 1 3.865 0.010 . 2 . . . A 64 U H5' . 19545 1 167 . 1 1 10 10 U H5'' H 1 4.008 0.010 . 2 . . . A 64 U H5'' . 19545 1 168 . 1 1 10 10 U H6 H 1 7.718 0.010 . 1 . . . A 64 U H6 . 19545 1 169 . 1 1 10 10 U C1' C 13 90.265 0.100 . 1 . . . A 64 U C1' . 19545 1 170 . 1 1 10 10 U C2 C 13 154.420 0.100 . 1 . . . A 64 U C2 . 19545 1 171 . 1 1 10 10 U C2' C 13 75.518 0.100 . 1 . . . A 64 U C2' . 19545 1 172 . 1 1 10 10 U C3' C 13 77.531 0.100 . 1 . . . A 64 U C3' . 19545 1 173 . 1 1 10 10 U C4' C 13 85.484 0.100 . 1 . . . A 64 U C4' . 19545 1 174 . 1 1 10 10 U C5 C 13 105.383 0.100 . 1 . . . A 64 U C5 . 19545 1 175 . 1 1 10 10 U C5' C 13 67.679 0.100 . 1 . . . A 64 U C5' . 19545 1 176 . 1 1 10 10 U C6 C 13 144.023 0.100 . 1 . . . A 64 U C6 . 19545 1 177 . 1 1 10 10 U N1 N 15 143.419 0.120 . 1 . . . A 64 U N1 . 19545 1 178 . 1 1 11 11 U H1' H 1 5.846 0.010 . 1 . . . A 65 U H1' . 19545 1 179 . 1 1 11 11 U H2' H 1 4.341 0.010 . 1 . . . A 65 U H2' . 19545 1 180 . 1 1 11 11 U H3' H 1 4.614 0.010 . 1 . . . A 65 U H3' . 19545 1 181 . 1 1 11 11 U H4' H 1 4.334 0.010 . 1 . . . A 65 U H4' . 19545 1 182 . 1 1 11 11 U H5 H 1 5.815 0.010 . 1 . . . A 65 U H5 . 19545 1 183 . 1 1 11 11 U H5' H 1 4.041 0.010 . 1 . . . A 65 U H5' . 19545 1 184 . 1 1 11 11 U H5'' H 1 4.041 0.010 . 1 . . . A 65 U H5'' . 19545 1 185 . 1 1 11 11 U H6 H 1 7.694 0.010 . 1 . . . A 65 U H6 . 19545 1 186 . 1 1 11 11 U C1' C 13 90.765 0.100 . 1 . . . A 65 U C1' . 19545 1 187 . 1 1 11 11 U C2 C 13 154.370 0.100 . 1 . . . A 65 U C2 . 19545 1 188 . 1 1 11 11 U C2' C 13 75.601 0.100 . 1 . . . A 65 U C2' . 19545 1 189 . 1 1 11 11 U C3' C 13 76.727 0.100 . 1 . . . A 65 U C3' . 19545 1 190 . 1 1 11 11 U C4' C 13 85.092 0.100 . 1 . . . A 65 U C4' . 19545 1 191 . 1 1 11 11 U C5 C 13 105.443 0.100 . 1 . . . A 65 U C5 . 19545 1 192 . 1 1 11 11 U C5' C 13 67.468 0.100 . 1 . . . A 65 U C5' . 19545 1 193 . 1 1 11 11 U C6 C 13 143.805 0.100 . 1 . . . A 65 U C6 . 19545 1 194 . 1 1 11 11 U N1 N 15 143.858 0.120 . 1 . . . A 65 U N1 . 19545 1 195 . 1 1 12 12 A H1' H 1 6.143 0.010 . 1 . . . A 66 A H1' . 19545 1 196 . 1 1 12 12 A H2 H 1 8.316 0.010 . 1 . . . A 66 A H2 . 19545 1 197 . 1 1 12 12 A H2' H 1 4.821 0.010 . 1 . . . A 66 A H2' . 19545 1 198 . 1 1 12 12 A H3' H 1 4.819 0.010 . 1 . . . A 66 A H3' . 19545 1 199 . 1 1 12 12 A H4' H 1 4.741 0.010 . 1 . . . A 66 A H4' . 19545 1 200 . 1 1 12 12 A H5' H 1 4.246 0.010 . 1 . . . A 66 A H5' . 19545 1 201 . 1 1 12 12 A H5'' H 1 4.246 0.010 . 1 . . . A 66 A H5'' . 19545 1 202 . 1 1 12 12 A H8 H 1 8.345 0.010 . 1 . . . A 66 A H8 . 19545 1 203 . 1 1 12 12 A HO2' H 1 6.349 0.010 . 1 . . . A 66 A HO2' . 19545 1 204 . 1 1 12 12 A C1' C 13 90.033 0.100 . 1 . . . A 66 A C1' . 19545 1 205 . 1 1 12 12 A C2 C 13 156.554 0.100 . 1 . . . A 66 A C2 . 19545 1 206 . 1 1 12 12 A C2' C 13 76.613 0.100 . 1 . . . A 66 A C2' . 19545 1 207 . 1 1 12 12 A C3' C 13 78.398 0.100 . 1 . . . A 66 A C3' . 19545 1 208 . 1 1 12 12 A C4 C 13 151.893 0.100 . 1 . . . A 66 A C4 . 19545 1 209 . 1 1 12 12 A C4' C 13 84.172 0.100 . 1 . . . A 66 A C4' . 19545 1 210 . 1 1 12 12 A C5' C 13 68.581 0.100 . 1 . . . A 66 A C5' . 19545 1 211 . 1 1 12 12 A C8 C 13 142.351 0.100 . 1 . . . A 66 A C8 . 19545 1 212 . 1 1 12 12 A N9 N 15 168.729 0.120 . 1 . . . A 66 A N9 . 19545 1 213 . 1 1 13 13 G H1 H 1 12.034 0.010 . 1 . . . A 67 G H1 . 19545 1 214 . 1 1 13 13 G H1' H 1 5.685 0.010 . 1 . . . A 67 G H1' . 19545 1 215 . 1 1 13 13 G H2' H 1 4.632 0.010 . 1 . . . A 67 G H2' . 19545 1 216 . 1 1 13 13 G H3' H 1 4.422 0.010 . 1 . . . A 67 G H3' . 19545 1 217 . 1 1 13 13 G H4' H 1 4.492 0.010 . 1 . . . A 67 G H4' . 19545 1 218 . 1 1 13 13 G H5' H 1 4.323 0.010 . 1 . . . A 67 G H5' . 19545 1 219 . 1 1 13 13 G H5'' H 1 4.427 0.010 . 1 . . . A 67 G H5'' . 19545 1 220 . 1 1 13 13 G H8 H 1 7.909 0.010 . 1 . . . A 67 G H8 . 19545 1 221 . 1 1 13 13 G H21 H 1 7.909 0.010 . 2 . . . A 67 G H21 . 19545 1 222 . 1 1 13 13 G H22 H 1 6.149 0.010 . 2 . . . A 67 G H22 . 19545 1 223 . 1 1 13 13 G HO2' H 1 6.573 0.010 . 1 . . . A 67 G HO2' . 19545 1 224 . 1 1 13 13 G C1' C 13 92.901 0.100 . 1 . . . A 67 G C1' . 19545 1 225 . 1 1 13 13 G C2' C 13 75.052 0.100 . 1 . . . A 67 G C2' . 19545 1 226 . 1 1 13 13 G C3' C 13 74.897 0.100 . 1 . . . A 67 G C3' . 19545 1 227 . 1 1 13 13 G C4' C 13 83.095 0.100 . 1 . . . A 67 G C4' . 19545 1 228 . 1 1 13 13 G C5' C 13 69.660 0.100 . 1 . . . A 67 G C5' . 19545 1 229 . 1 1 13 13 G C8 C 13 138.076 0.100 . 1 . . . A 67 G C8 . 19545 1 230 . 1 1 13 13 G N9 N 15 169.943 0.120 . 1 . . . A 67 G N9 . 19545 1 231 . 1 1 14 14 A H1' H 1 5.867 0.010 . 1 . . . A 68 A H1' . 19545 1 232 . 1 1 14 14 A H2 H 1 7.126 0.010 . 1 . . . A 68 A H2 . 19545 1 233 . 1 1 14 14 A H2' H 1 4.505 0.010 . 1 . . . A 68 A H2' . 19545 1 234 . 1 1 14 14 A H3' H 1 4.658 0.010 . 1 . . . A 68 A H3' . 19545 1 235 . 1 1 14 14 A H4' H 1 4.448 0.010 . 1 . . . A 68 A H4' . 19545 1 236 . 1 1 14 14 A H5' H 1 4.548 0.010 . 2 . . . A 68 A H5' . 19545 1 237 . 1 1 14 14 A H5'' H 1 4.073 0.010 . 2 . . . A 68 A H5'' . 19545 1 238 . 1 1 14 14 A H8 H 1 7.798 0.010 . 1 . . . A 68 A H8 . 19545 1 239 . 1 1 14 14 A H61 H 1 6.557 0.010 . 2 . . . A 68 A H61 . 19545 1 240 . 1 1 14 14 A H62 H 1 7.808 0.010 . 2 . . . A 68 A H62 . 19545 1 241 . 1 1 14 14 A HO2' H 1 6.661 0.010 . 1 . . . A 68 A HO2' . 19545 1 242 . 1 1 14 14 A C1' C 13 92.960 0.100 . 1 . . . A 68 A C1' . 19545 1 243 . 1 1 14 14 A C2 C 13 153.038 0.100 . 1 . . . A 68 A C2 . 19545 1 244 . 1 1 14 14 A C2' C 13 75.606 0.100 . 1 . . . A 68 A C2' . 19545 1 245 . 1 1 14 14 A C3' C 13 72.804 0.100 . 1 . . . A 68 A C3' . 19545 1 246 . 1 1 14 14 A C4' C 13 82.202 0.100 . 1 . . . A 68 A C4' . 19545 1 247 . 1 1 14 14 A C5' C 13 64.767 0.100 . 1 . . . A 68 A C5' . 19545 1 248 . 1 1 14 14 A C8 C 13 139.592 0.100 . 1 . . . A 68 A C8 . 19545 1 249 . 1 1 14 14 A N9 N 15 170.465 0.120 . 1 . . . A 68 A N9 . 19545 1 250 . 1 1 15 15 A H1' H 1 5.855 0.010 . 1 . . . A 69 A H1' . 19545 1 251 . 1 1 15 15 A H2 H 1 7.687 0.010 . 1 . . . A 69 A H2 . 19545 1 252 . 1 1 15 15 A H2' H 1 4.392 0.010 . 1 . . . A 69 A H2' . 19545 1 253 . 1 1 15 15 A H3' H 1 4.567 0.010 . 1 . . . A 69 A H3' . 19545 1 254 . 1 1 15 15 A H5'' H 1 4.002 0.010 . 2 . . . A 69 A H5'' . 19545 1 255 . 1 1 15 15 A H8 H 1 7.833 0.010 . 1 . . . A 69 A H8 . 19545 1 256 . 1 1 15 15 A H61 H 1 6.606 0.010 . 2 . . . A 69 A H61 . 19545 1 257 . 1 1 15 15 A H62 H 1 8.100 0.010 . 2 . . . A 69 A H62 . 19545 1 258 . 1 1 15 15 A HO2' H 1 6.732 0.010 . 1 . . . A 69 A HO2' . 19545 1 259 . 1 1 15 15 A C1' C 13 92.552 0.100 . 1 . . . A 69 A C1' . 19545 1 260 . 1 1 15 15 A C2 C 13 153.941 0.100 . 1 . . . A 69 A C2 . 19545 1 261 . 1 1 15 15 A C2' C 13 75.620 0.100 . 1 . . . A 69 A C2' . 19545 1 262 . 1 1 15 15 A C3' C 13 72.419 0.100 . 1 . . . A 69 A C3' . 19545 1 263 . 1 1 15 15 A C8 C 13 138.977 0.100 . 1 . . . A 69 A C8 . 19545 1 264 . 1 1 15 15 A N9 N 15 171.056 0.120 . 1 . . . A 69 A N9 . 19545 1 265 . 1 1 16 16 C H1' H 1 5.295 0.010 . 1 . . . A 70 C H1' . 19545 1 266 . 1 1 16 16 C H2' H 1 4.372 0.010 . 1 . . . A 70 C H2' . 19545 1 267 . 1 1 16 16 C H3' H 1 4.336 0.010 . 1 . . . A 70 C H3' . 19545 1 268 . 1 1 16 16 C H4' H 1 4.321 0.010 . 1 . . . A 70 C H4' . 19545 1 269 . 1 1 16 16 C H5 H 1 5.145 0.010 . 1 . . . A 70 C H5 . 19545 1 270 . 1 1 16 16 C H5' H 1 4.434 0.010 . 2 . . . A 70 C H5' . 19545 1 271 . 1 1 16 16 C H5'' H 1 3.992 0.010 . 2 . . . A 70 C H5'' . 19545 1 272 . 1 1 16 16 C H6 H 1 7.375 0.010 . 1 . . . A 70 C H6 . 19545 1 273 . 1 1 16 16 C H41 H 1 6.806 0.010 . 1 . . . A 70 C H41 . 19545 1 274 . 1 1 16 16 C H42 H 1 8.190 0.010 . 1 . . . A 70 C H42 . 19545 1 275 . 1 1 16 16 C HO2' H 1 6.449 0.010 . 1 . . . A 70 C HO2' . 19545 1 276 . 1 1 16 16 C C1' C 13 93.397 0.100 . 1 . . . A 70 C C1' . 19545 1 277 . 1 1 16 16 C C2' C 13 75.499 0.100 . 1 . . . A 70 C C2' . 19545 1 278 . 1 1 16 16 C C3' C 13 72.405 0.100 . 1 . . . A 70 C C3' . 19545 1 279 . 1 1 16 16 C C4' C 13 81.719 0.100 . 1 . . . A 70 C C4' . 19545 1 280 . 1 1 16 16 C C5 C 13 97.661 0.100 . 1 . . . A 70 C C5 . 19545 1 281 . 1 1 16 16 C C5' C 13 64.607 0.100 . 1 . . . A 70 C C5' . 19545 1 282 . 1 1 16 16 C C6 C 13 139.976 0.100 . 1 . . . A 70 C C6 . 19545 1 283 . 1 1 16 16 C N1 N 15 149.918 0.120 . 1 . . . A 70 C N1 . 19545 1 284 . 1 1 17 17 G H1 H 1 13.106 0.010 . 1 . . . A 71 G H1 . 19545 1 285 . 1 1 17 17 G H1' H 1 5.641 0.010 . 1 . . . A 71 G H1' . 19545 1 286 . 1 1 17 17 G H2' H 1 4.597 0.010 . 1 . . . A 71 G H2' . 19545 1 287 . 1 1 17 17 G H3' H 1 4.337 0.010 . 1 . . . A 71 G H3' . 19545 1 288 . 1 1 17 17 G H4' H 1 4.391 0.010 . 1 . . . A 71 G H4' . 19545 1 289 . 1 1 17 17 G H5' H 1 4.418 0.010 . 2 . . . A 71 G H5' . 19545 1 290 . 1 1 17 17 G H5'' H 1 4.009 0.010 . 2 . . . A 71 G H5'' . 19545 1 291 . 1 1 17 17 G H8 H 1 7.386 0.010 . 1 . . . A 71 G H8 . 19545 1 292 . 1 1 17 17 G H21 H 1 6.037 0.010 . 2 . . . A 71 G H21 . 19545 1 293 . 1 1 17 17 G H22 H 1 6.037 0.010 . 2 . . . A 71 G H22 . 19545 1 294 . 1 1 17 17 G HO2' H 1 6.897 0.010 . 1 . . . A 71 G HO2' . 19545 1 295 . 1 1 17 17 G C1' C 13 93.277 0.100 . 1 . . . A 71 G C1' . 19545 1 296 . 1 1 17 17 G C2' C 13 75.172 0.100 . 1 . . . A 71 G C2' . 19545 1 297 . 1 1 17 17 G C3' C 13 72.826 0.100 . 1 . . . A 71 G C3' . 19545 1 298 . 1 1 17 17 G C4' C 13 82.408 0.100 . 1 . . . A 71 G C4' . 19545 1 299 . 1 1 17 17 G C5' C 13 65.396 0.100 . 1 . . . A 71 G C5' . 19545 1 300 . 1 1 17 17 G C8 C 13 135.925 0.100 . 1 . . . A 71 G C8 . 19545 1 301 . 1 1 17 17 G N9 N 15 169.352 0.120 . 1 . . . A 71 G N9 . 19545 1 302 . 1 1 18 18 U H1' H 1 5.459 0.010 . 1 . . . A 72 U H1' . 19545 1 303 . 1 1 18 18 U H2' H 1 4.022 0.010 . 1 . . . A 72 U H2' . 19545 1 304 . 1 1 18 18 U H3 H 1 12.294 0.010 . 1 . . . A 72 U H3 . 19545 1 305 . 1 1 18 18 U H3' H 1 4.462 0.010 . 1 . . . A 72 U H3' . 19545 1 306 . 1 1 18 18 U H4' H 1 4.335 0.010 . 1 . . . A 72 U H4' . 19545 1 307 . 1 1 18 18 U H5 H 1 5.355 0.010 . 1 . . . A 72 U H5 . 19545 1 308 . 1 1 18 18 U H5' H 1 4.002 0.010 . 2 . . . A 72 U H5' . 19545 1 309 . 1 1 18 18 U H5'' H 1 4.466 0.010 . 2 . . . A 72 U H5'' . 19545 1 310 . 1 1 18 18 U H6 H 1 7.737 0.010 . 1 . . . A 72 U H6 . 19545 1 311 . 1 1 18 18 U HO2' H 1 7.347 0.010 . 1 . . . A 72 U HO2' . 19545 1 312 . 1 1 18 18 U C1' C 13 94.431 0.100 . 1 . . . A 72 U C1' . 19545 1 313 . 1 1 18 18 U C2 C 13 154.800 0.100 . 1 . . . A 72 U C2 . 19545 1 314 . 1 1 18 18 U C2' C 13 75.687 0.100 . 1 . . . A 72 U C2' . 19545 1 315 . 1 1 18 18 U C3' C 13 72.085 0.100 . 1 . . . A 72 U C3' . 19545 1 316 . 1 1 18 18 U C4' C 13 82.625 0.100 . 1 . . . A 72 U C4' . 19545 1 317 . 1 1 18 18 U C5 C 13 103.796 0.100 . 1 . . . A 72 U C5 . 19545 1 318 . 1 1 18 18 U C5' C 13 64.051 0.100 . 1 . . . A 72 U C5' . 19545 1 319 . 1 1 18 18 U C6 C 13 140.800 0.100 . 1 . . . A 72 U C6 . 19545 1 320 . 1 1 18 18 U N1 N 15 145.541 0.120 . 1 . . . A 72 U N1 . 19545 1 321 . 1 1 19 19 C H1' H 1 6.150 0.010 . 1 . . . A 73 C H1' . 19545 1 322 . 1 1 19 19 C H2' H 1 4.626 0.010 . 1 . . . A 73 C H2' . 19545 1 323 . 1 1 19 19 C H3' H 1 4.967 0.010 . 1 . . . A 73 C H3' . 19545 1 324 . 1 1 19 19 C H4' H 1 4.322 0.010 . 1 . . . A 73 C H4' . 19545 1 325 . 1 1 19 19 C H5 H 1 5.623 0.010 . 1 . . . A 73 C H5 . 19545 1 326 . 1 1 19 19 C H5' H 1 4.532 0.010 . 2 . . . A 73 C H5' . 19545 1 327 . 1 1 19 19 C H5'' H 1 4.050 0.010 . 2 . . . A 73 C H5'' . 19545 1 328 . 1 1 19 19 C H6 H 1 7.523 0.010 . 1 . . . A 73 C H6 . 19545 1 329 . 1 1 19 19 C H41 H 1 7.000 0.010 . 2 . . . A 73 C H41 . 19545 1 330 . 1 1 19 19 C H42 H 1 8.574 0.010 . 2 . . . A 73 C H42 . 19545 1 331 . 1 1 19 19 C C1' C 13 91.532 0.100 . 1 . . . A 73 C C1' . 19545 1 332 . 1 1 19 19 C C2 C 13 159.565 0.100 . 1 . . . A 73 C C2 . 19545 1 333 . 1 1 19 19 C C2' C 13 84.957 0.100 . 1 . . . A 73 C C2' . 19545 1 334 . 1 1 19 19 C C3' C 13 77.902 0.100 . 1 . . . A 73 C C3' . 19545 1 335 . 1 1 19 19 C C4' C 13 85.279 0.100 . 1 . . . A 73 C C4' . 19545 1 336 . 1 1 19 19 C C5 C 13 98.902 0.100 . 1 . . . A 73 C C5 . 19545 1 337 . 1 1 19 19 C C5' C 13 65.645 0.100 . 1 . . . A 73 C C5' . 19545 1 338 . 1 1 19 19 C C6 C 13 143.131 0.100 . 1 . . . A 73 C C6 . 19545 1 339 . 1 1 19 19 C N1 N 15 150.899 0.120 . 1 . . . A 73 C N1 . 19545 1 stop_ save_