data_7098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7098 _Entry.Title ; Linear dimer of stemloop SL1 from HIV-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-05 _Entry.Accession_date 2006-05-09 _Entry.Last_release_date 2007-02-07 _Entry.Original_release_date 2007-02-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Ulyanov . B. . 7098 2 A. Mujeeb . . . 7098 3 Z. Du . . . 7098 4 M. Tonelli . . . 7098 5 T. Parslow . G. . 7098 6 T. James . L. . 7098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 137 7098 '15N chemical shifts' 11 7098 '1H chemical shifts' 181 7098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-02-07 2006-05-05 original author . 7098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GM0 'BMRB Entry Tracking System' 7098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16603544 _Citation.Full_citation . _Citation.Title ; NMR structure of the full-length linear dimer of stem-loop-1 RNA in the HIV-1 dimer initiation site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 23 _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 16168 _Citation.Page_last 16177 _Citation.Year 2006 _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 N. Ulyanov . B. . 7098 1 2 A. Mujeeb . . . 7098 1 3 Z. Du . . . 7098 1 4 M. Tonelli . . . 7098 1 5 T. Parslow . G. . 7098 1 6 T. James . L. . 7098 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'A-RICH INTERNAL LOOP' 7098 1 'G-RICH INTERNAL LOOP' 7098 1 'LINEAR DIMER' 7098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RNA-35-MER _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RNA-35-MER _Assembly.Entry_ID 7098 _Assembly.ID 1 _Assembly.Name 'RNA (35-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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 7098 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (35-MER), chain A' 1 $RNA-35-MER . . . native . . 1 . . 7098 1 2 'RNA (35-MER), chain B' 1 $RNA-35-MER . . . native . . 1 . . 7098 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2GM0 . . . . . . 7098 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RNA (35-MER)' abbreviation 7098 1 'RNA (35-MER)' system 7098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA-35-MER _Entity.Sf_category entity _Entity.Sf_framecode RNA-35-MER _Entity.Entry_ID 7098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA (35-MER)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GACGGCUUGCUGAAGCGCGC ACGGCAAGAGGCGUC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA (35-MER)' abbreviation 7098 1 'RNA (35-MER)' common 7098 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 7098 1 2 . A . 7098 1 3 . C . 7098 1 4 . G . 7098 1 5 . G . 7098 1 6 . C . 7098 1 7 . U . 7098 1 8 . U . 7098 1 9 . G . 7098 1 10 . C . 7098 1 11 . U . 7098 1 12 . G . 7098 1 13 . A . 7098 1 14 . A . 7098 1 15 . G . 7098 1 16 . C . 7098 1 17 . G . 7098 1 18 . C . 7098 1 19 . G . 7098 1 20 . C . 7098 1 21 . A . 7098 1 22 . C . 7098 1 23 . G . 7098 1 24 . G . 7098 1 25 . C . 7098 1 26 . A . 7098 1 27 . A . 7098 1 28 . G . 7098 1 29 . A . 7098 1 30 . G . 7098 1 31 . G . 7098 1 32 . C . 7098 1 33 . G . 7098 1 34 . U . 7098 1 35 . C . 7098 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 7098 1 . A 2 2 7098 1 . C 3 3 7098 1 . G 4 4 7098 1 . G 5 5 7098 1 . C 6 6 7098 1 . U 7 7 7098 1 . U 8 8 7098 1 . G 9 9 7098 1 . C 10 10 7098 1 . U 11 11 7098 1 . G 12 12 7098 1 . A 13 13 7098 1 . A 14 14 7098 1 . G 15 15 7098 1 . C 16 16 7098 1 . G 17 17 7098 1 . C 18 18 7098 1 . G 19 19 7098 1 . C 20 20 7098 1 . A 21 21 7098 1 . C 22 22 7098 1 . G 23 23 7098 1 . G 24 24 7098 1 . C 25 25 7098 1 . A 26 26 7098 1 . A 27 27 7098 1 . G 28 28 7098 1 . A 29 29 7098 1 . G 30 30 7098 1 . G 31 31 7098 1 . C 32 32 7098 1 . G 33 33 7098 1 . U 34 34 7098 1 . C 35 35 7098 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 7098 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA-35-MER . 11676 . . 'Lentivirus HIV-1' HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . . . . . . . . . 7098 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 7098 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA-35-MER . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'RNA WAS PREPARED BY IN VITRO TRANSCRIPTION WITH T7 RNA POLYMERASE.' . . 7098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7098 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (35-MER)' . . . 1 $RNA-35-MER . . 0.75 . . mM . . . . 7098 1 2 'potassium phosphate buffer' . . . . . . . 10 . . mM . . . . 7098 1 3 NaCl . . . . . . . 250 . . mM . . . . 7098 1 4 MgCl2 . . . . . . . 0.1 . . mM . . . . 7098 1 5 D2O . . . . . . . 100 . . % . . . . 7098 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7098 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (35-MER)' . . . 1 $RNA-35-MER . . 0.75 . . mM . . . . 7098 2 2 'potassium phosphate buffer' . . . . . . . 10 . . mM . . . . 7098 2 3 NaCl . . . . . . . 250 . . mM . . . . 7098 2 4 MgCl2 . . . . . . . 0.1 . . mM . . . . 7098 2 5 H2O . . . . . . . 90 . . % . . . . 7098 2 6 D2O . . . . . . . 10 . . % . . . . 7098 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7098 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (35-MER)' '[U-13C; U-15N]' . . 1 $RNA-35-MER . . 0.75 . . mM . . . . 7098 3 2 'potassium phosphate buffer' . . . . . . . 10 . . mM . . . . 7098 3 3 NaCl . . . . . . . 250 . . mM . . . . 7098 3 4 MgCl2 . . . . . . . 0.1 . . mM . . . . 7098 3 5 D2O . . . . . . . 100 . . % . . . . 7098 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 7098 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (35-MER)' '[U-13C; U-15N]' . . 1 $RNA-35-MER . . 0.75 . . mM . . . . 7098 4 2 'potassium phosphate buffer' . . . . . . . 10 . . mM . . . . 7098 4 3 NaCl . . . . . . . 250 . . mM . . . . 7098 4 4 MgCl2 . . . . . . . 0.1 . . mM . . . . 7098 4 5 H2O . . . . . . . 90 . . % . . . . 7098 4 6 D2O . . . . . . . 10 . . % . . . . 7098 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7098 _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' 260 . mM 7098 1 pH 6.4 . pH 7098 1 pressure 1 . atm 7098 1 temperature 303 . K 7098 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 7098 _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' 260 . mM 7098 2 pH 6.4 . pH 7098 2 pressure 1 . atm 7098 2 temperature 288 . K 7098 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7098 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7098 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7098 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7098 2 stop_ save_ save_MARDIGRAS _Software.Sf_category software _Software.Sf_framecode MARDIGRAS _Software.Entry_ID 7098 _Software.ID 3 _Software.Name MARDIGRAS _Software.Version 3.21 _Software.Details 'Borgias et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'iterative matrix relaxation' 7098 3 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7098 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.110 _Software.Details Goddard loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7098 4 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 7098 _Software.ID 5 _Software.Name DYANA _Software.Version 1.5 _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7098 5 stop_ save_ save_miniCarlo _Software.Sf_category software _Software.Sf_framecode miniCarlo _Software.Entry_ID 7098 _Software.ID 6 _Software.Name miniCarlo _Software.Version . _Software.Details 'Zhurkin & Ulyanov' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7098 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7098 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian 'Unity Inova' . 900 . . . 7098 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 7098 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7098 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7098 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7098 1 4 'non-decoupled constant-time 1H-13C TROSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7098 1 5 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7098 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7098 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7098 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7098 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7098 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'non-decoupled constant-time 1H-13C TROSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 7098 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7098 _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 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7098 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7098 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7098 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7098 1 . . 2 $sample_2 . 7098 1 . . 3 $sample_3 . 7098 1 . . 4 $sample_4 . 7098 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 5.74 0.005 . 1 . . . . . . . . 7098 1 2 . 1 1 1 1 G H2' H 1 4.88 0.005 . 1 . . . . . . . . 7098 1 3 . 1 1 1 1 G H3' H 1 4.79 0.005 . 1 . . . . . . . . 7098 1 4 . 1 1 1 1 G H4' H 1 4.55 0.005 . 1 . . . . . . . . 7098 1 5 . 1 1 1 1 G H5'' H 1 4.42 0.005 . 1 . . . . . . . . 7098 1 6 . 1 1 1 1 G H5' H 1 4.27 0.005 . 1 . . . . . . . . 7098 1 7 . 1 1 1 1 G H8 H 1 8.13 0.005 . 1 . . . . . . . . 7098 1 8 . 1 1 1 1 G C1' C 13 91.3 0.1 . 1 . . . . . . . . 7098 1 9 . 1 1 1 1 G C2' C 13 74.9 0.1 . 1 . . . . . . . . 7098 1 10 . 1 1 1 1 G C4' C 13 83.5 0.1 . 1 . . . . . . . . 7098 1 11 . 1 1 1 1 G C8 C 13 139.3 0.1 . 1 . . . . . . . . 7098 1 12 . 1 1 2 2 A H1' H 1 6.11 0.005 . 1 . . . . . . . . 7098 1 13 . 1 1 2 2 A H2 H 1 7.93 0.005 . 1 . . . . . . . . 7098 1 14 . 1 1 2 2 A H2' H 1 4.59 0.005 . 1 . . . . . . . . 7098 1 15 . 1 1 2 2 A H3' H 1 4.70 0.005 . 1 . . . . . . . . 7098 1 16 . 1 1 2 2 A H8 H 1 8.20 0.005 . 1 . . . . . . . . 7098 1 17 . 1 1 2 2 A C1' C 13 92.8 0.1 . 1 . . . . . . . . 7098 1 18 . 1 1 2 2 A C2 C 13 154.1 0.1 . 1 . . . . . . . . 7098 1 19 . 1 1 2 2 A C2' C 13 75.5 0.1 . 1 . . . . . . . . 7098 1 20 . 1 1 2 2 A C3' C 13 72.9 0.1 . 1 . . . . . . . . 7098 1 21 . 1 1 2 2 A C8 C 13 140.2 0.1 . 1 . . . . . . . . 7098 1 22 . 1 1 3 3 C H1' H 1 5.48 0.005 . 1 . . . . . . . . 7098 1 23 . 1 1 3 3 C H5 H 1 5.24 0.005 . 1 . . . . . . . . 7098 1 24 . 1 1 3 3 C H2' H 1 4.44 0.005 . 1 . . . . . . . . 7098 1 25 . 1 1 3 3 C H3' H 1 4.45 0.005 . 1 . . . . . . . . 7098 1 26 . 1 1 3 3 C H6 H 1 7.52 0.005 . 1 . . . . . . . . 7098 1 27 . 1 1 3 3 C C1' C 13 93.1 0.1 . 1 . . . . . . . . 7098 1 28 . 1 1 3 3 C C5 C 13 97.5 0.1 . 1 . . . . . . . . 7098 1 29 . 1 1 3 3 C C2' C 13 75.6 0.1 . 1 . . . . . . . . 7098 1 30 . 1 1 3 3 C C6 C 13 140.1 0.1 . 1 . . . . . . . . 7098 1 31 . 1 1 4 4 G H1' H 1 5.76 0.005 . 1 . . . . . . . . 7098 1 32 . 1 1 4 4 G H2' H 1 4.76 0.005 . 1 . . . . . . . . 7098 1 33 . 1 1 4 4 G H8 H 1 7.45 0.005 . 1 . . . . . . . . 7098 1 34 . 1 1 4 4 G C1' C 13 93.0 0.1 . 1 . . . . . . . . 7098 1 35 . 1 1 4 4 G C8 C 13 136.1 0.1 . 1 . . . . . . . . 7098 1 36 . 1 1 5 5 G H1' H 1 5.72 0.005 . 1 . . . . . . . . 7098 1 37 . 1 1 5 5 G H2' H 1 4.52 0.005 . 1 . . . . . . . . 7098 1 38 . 1 1 5 5 G H8 H 1 7.42 0.005 . 1 . . . . . . . . 7098 1 39 . 1 1 5 5 G C1' C 13 93.0 0.1 . 1 . . . . . . . . 7098 1 40 . 1 1 6 6 C H1' H 1 5.46 0.005 . 1 . . . . . . . . 7098 1 41 . 1 1 6 6 C H5 H 1 5.32 0.005 . 1 . . . . . . . . 7098 1 42 . 1 1 6 6 C H2' H 1 4.29 0.005 . 1 . . . . . . . . 7098 1 43 . 1 1 6 6 C H6 H 1 7.58 0.005 . 1 . . . . . . . . 7098 1 44 . 1 1 6 6 C C1' C 13 94.3 0.1 . 1 . . . . . . . . 7098 1 45 . 1 1 6 6 C C5 C 13 97.4 0.1 . 1 . . . . . . . . 7098 1 46 . 1 1 6 6 C C2' C 13 75.2 0.1 . 1 . . . . . . . . 7098 1 47 . 1 1 6 6 C C6 C 13 140.9 0.1 . 1 . . . . . . . . 7098 1 48 . 1 1 7 7 U H1' H 1 5.47 0.005 . 1 . . . . . . . . 7098 1 49 . 1 1 7 7 U H5 H 1 5.40 0.005 . 1 . . . . . . . . 7098 1 50 . 1 1 7 7 U H2' H 1 4.41 0.005 . 1 . . . . . . . . 7098 1 51 . 1 1 7 7 U H6 H 1 7.92 0.005 . 1 . . . . . . . . 7098 1 52 . 1 1 7 7 U C1' C 13 93.7 0.1 . 1 . . . . . . . . 7098 1 53 . 1 1 7 7 U C5 C 13 103.0 0.1 . 1 . . . . . . . . 7098 1 54 . 1 1 7 7 U C2' C 13 75.1 0.1 . 1 . . . . . . . . 7098 1 55 . 1 1 7 7 U C6 C 13 142.2 0.1 . 1 . . . . . . . . 7098 1 56 . 1 1 7 7 U H3 H 1 14.14 0.005 . 1 . . . . . . . . 7098 1 57 . 1 1 7 7 U N3 N 15 163.2 0.1 . 1 . . . . . . . . 7098 1 58 . 1 1 8 8 U H1' H 1 5.59 0.005 . 1 . . . . . . . . 7098 1 59 . 1 1 8 8 U H5 H 1 5.56 0.005 . 1 . . . . . . . . 7098 1 60 . 1 1 8 8 U H2' H 1 4.50 0.005 . 1 . . . . . . . . 7098 1 61 . 1 1 8 8 U H3' H 1 4.59 0.005 . 1 . . . . . . . . 7098 1 62 . 1 1 8 8 U H6 H 1 7.94 0.005 . 1 . . . . . . . . 7098 1 63 . 1 1 8 8 U C1' C 13 93.1 0.1 . 1 . . . . . . . . 7098 1 64 . 1 1 8 8 U C5 C 13 103.7 0.1 . 1 . . . . . . . . 7098 1 65 . 1 1 8 8 U C2' C 13 75.2 0.1 . 1 . . . . . . . . 7098 1 66 . 1 1 8 8 U C3' C 13 72.6 0.1 . 1 . . . . . . . . 7098 1 67 . 1 1 8 8 U C6 C 13 142.1 0.1 . 1 . . . . . . . . 7098 1 68 . 1 1 8 8 U H3 H 1 13.09 0.005 . 1 . . . . . . . . 7098 1 69 . 1 1 8 8 U N3 N 15 162.9 0.1 . 1 . . . . . . . . 7098 1 70 . 1 1 9 9 G H1' H 1 5.74 0.005 . 1 . . . . . . . . 7098 1 71 . 1 1 9 9 G H2' H 1 4.46 0.005 . 1 . . . . . . . . 7098 1 72 . 1 1 9 9 G H3' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 73 . 1 1 9 9 G H8 H 1 7.74 0.005 . 1 . . . . . . . . 7098 1 74 . 1 1 9 9 G C1' C 13 92.5 0.1 . 1 . . . . . . . . 7098 1 75 . 1 1 9 9 G C3' C 13 72.9 0.1 . 1 . . . . . . . . 7098 1 76 . 1 1 9 9 G C8 C 13 136.3 0.1 . 1 . . . . . . . . 7098 1 77 . 1 1 9 9 G H1 H 1 12.42 0.005 . 1 . . . . . . . . 7098 1 78 . 1 1 9 9 G N1 N 15 148.2 0.1 . 1 . . . . . . . . 7098 1 79 . 1 1 10 10 C H1' H 1 5.43 0.005 . 1 . . . . . . . . 7098 1 80 . 1 1 10 10 C H5 H 1 5.12 0.005 . 1 . . . . . . . . 7098 1 81 . 1 1 10 10 C H2' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 82 . 1 1 10 10 C H3' H 1 4.25 0.005 . 1 . . . . . . . . 7098 1 83 . 1 1 10 10 C H6 H 1 7.52 0.005 . 1 . . . . . . . . 7098 1 84 . 1 1 10 10 C C1' C 13 93.6 0.1 . 1 . . . . . . . . 7098 1 85 . 1 1 10 10 C C5 C 13 97.0 0.1 . 1 . . . . . . . . 7098 1 86 . 1 1 10 10 C C3' C 13 72.0 0.1 . 1 . . . . . . . . 7098 1 87 . 1 1 10 10 C C6 C 13 140.6 0.1 . 1 . . . . . . . . 7098 1 88 . 1 1 11 11 U H1' H 1 5.58 0.005 . 1 . . . . . . . . 7098 1 89 . 1 1 11 11 U H5 H 1 5.63 0.005 . 1 . . . . . . . . 7098 1 90 . 1 1 11 11 U H2' H 1 4.19 0.005 . 1 . . . . . . . . 7098 1 91 . 1 1 11 11 U H4' H 1 4.37 0.005 . 1 . . . . . . . . 7098 1 92 . 1 1 11 11 U H6 H 1 7.70 0.005 . 1 . . . . . . . . 7098 1 93 . 1 1 11 11 U C1' C 13 94.4 0.1 . 1 . . . . . . . . 7098 1 94 . 1 1 11 11 U C5 C 13 105.0 0.1 . 1 . . . . . . . . 7098 1 95 . 1 1 11 11 U C2' C 13 75.5 0.1 . 1 . . . . . . . . 7098 1 96 . 1 1 11 11 U C4' C 13 82.7 0.1 . 1 . . . . . . . . 7098 1 97 . 1 1 11 11 U C6 C 13 141.0 0.1 . 1 . . . . . . . . 7098 1 98 . 1 1 11 11 U H3 H 1 11.62 0.005 . 1 . . . . . . . . 7098 1 99 . 1 1 11 11 U N3 N 15 159.1 0.1 . 1 . . . . . . . . 7098 1 100 . 1 1 12 12 G H1' H 1 5.65 0.005 . 1 . . . . . . . . 7098 1 101 . 1 1 12 12 G H2' H 1 4.30 0.005 . 1 . . . . . . . . 7098 1 102 . 1 1 12 12 G H3' H 1 4.70 0.005 . 1 . . . . . . . . 7098 1 103 . 1 1 12 12 G H4' H 1 4.40 0.005 . 1 . . . . . . . . 7098 1 104 . 1 1 12 12 G H5' H 1 4.10 0.005 . 1 . . . . . . . . 7098 1 105 . 1 1 12 12 G H8 H 1 7.81 0.005 . 1 . . . . . . . . 7098 1 106 . 1 1 12 12 G C1' C 13 90.9 0.1 . 1 . . . . . . . . 7098 1 107 . 1 1 12 12 G C2' C 13 76.3 0.1 . 1 . . . . . . . . 7098 1 108 . 1 1 12 12 G C4' C 13 83.8 0.1 . 1 . . . . . . . . 7098 1 109 . 1 1 12 12 G C8 C 13 137.7 0.1 . 1 . . . . . . . . 7098 1 110 . 1 1 13 13 A H1' H 1 5.92 0.005 . 1 . . . . . . . . 7098 1 111 . 1 1 13 13 A H2 H 1 7.95 0.005 . 1 . . . . . . . . 7098 1 112 . 1 1 13 13 A H2' H 1 4.63 0.005 . 1 . . . . . . . . 7098 1 113 . 1 1 13 13 A H3' H 1 4.74 0.005 . 1 . . . . . . . . 7098 1 114 . 1 1 13 13 A H4' H 1 4.51 0.005 . 1 . . . . . . . . 7098 1 115 . 1 1 13 13 A H5'' H 1 4.37 0.005 . 1 . . . . . . . . 7098 1 116 . 1 1 13 13 A H5' H 1 4.20 0.005 . 1 . . . . . . . . 7098 1 117 . 1 1 13 13 A H8 H 1 8.16 0.005 . 1 . . . . . . . . 7098 1 118 . 1 1 13 13 A C1' C 13 90.8 0.1 . 1 . . . . . . . . 7098 1 119 . 1 1 13 13 A C2 C 13 155.1 0.1 . 1 . . . . . . . . 7098 1 120 . 1 1 13 13 A C2' C 13 76.1 0.1 . 1 . . . . . . . . 7098 1 121 . 1 1 13 13 A C3' C 13 75.8 0.1 . 1 . . . . . . . . 7098 1 122 . 1 1 13 13 A C4' C 13 84.3 0.1 . 1 . . . . . . . . 7098 1 123 . 1 1 13 13 A C5' C 13 66.8 0.1 . 1 . . . . . . . . 7098 1 124 . 1 1 13 13 A C8 C 13 141.1 0.1 . 1 . . . . . . . . 7098 1 125 . 1 1 14 14 A H1' H 1 5.96 0.005 . 1 . . . . . . . . 7098 1 126 . 1 1 14 14 A H2 H 1 8.05 0.005 . 1 . . . . . . . . 7098 1 127 . 1 1 14 14 A H2' H 1 4.72 0.005 . 1 . . . . . . . . 7098 1 128 . 1 1 14 14 A H3' H 1 4.75 0.005 . 1 . . . . . . . . 7098 1 129 . 1 1 14 14 A H4' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 130 . 1 1 14 14 A H5'' H 1 4.36 0.005 . 1 . . . . . . . . 7098 1 131 . 1 1 14 14 A H5' H 1 4.23 0.005 . 1 . . . . . . . . 7098 1 132 . 1 1 14 14 A H8 H 1 8.22 0.005 . 1 . . . . . . . . 7098 1 133 . 1 1 14 14 A C1' C 13 90.5 0.1 . 1 . . . . . . . . 7098 1 134 . 1 1 14 14 A C2 C 13 155.0 0.1 . 1 . . . . . . . . 7098 1 135 . 1 1 14 14 A C2' C 13 76.1 0.1 . 1 . . . . . . . . 7098 1 136 . 1 1 14 14 A C4' C 13 84.6 0.1 . 1 . . . . . . . . 7098 1 137 . 1 1 14 14 A C5' C 13 67.2 0.1 . 1 . . . . . . . . 7098 1 138 . 1 1 14 14 A C8 C 13 141.3 0.1 . 1 . . . . . . . . 7098 1 139 . 1 1 15 15 G H1' H 1 5.57 0.005 . 1 . . . . . . . . 7098 1 140 . 1 1 15 15 G H2' H 1 4.59 0.005 . 1 . . . . . . . . 7098 1 141 . 1 1 15 15 G H3' H 1 4.47 0.005 . 1 . . . . . . . . 7098 1 142 . 1 1 15 15 G H4' H 1 4.47 0.005 . 1 . . . . . . . . 7098 1 143 . 1 1 15 15 G H8 H 1 7.52 0.005 . 1 . . . . . . . . 7098 1 144 . 1 1 15 15 G C1' C 13 92.9 0.1 . 1 . . . . . . . . 7098 1 145 . 1 1 15 15 G C2' C 13 74.9 0.1 . 1 . . . . . . . . 7098 1 146 . 1 1 15 15 G C3' C 13 73.6 0.1 . 1 . . . . . . . . 7098 1 147 . 1 1 15 15 G C4' C 13 82.8 0.1 . 1 . . . . . . . . 7098 1 148 . 1 1 15 15 G C8 C 13 137.4 0.1 . 1 . . . . . . . . 7098 1 149 . 1 1 15 15 G H1 H 1 12.48 0.005 . 1 . . . . . . . . 7098 1 150 . 1 1 15 15 G N1 N 15 148.7 0.1 . 1 . . . . . . . . 7098 1 151 . 1 1 16 16 C H1' H 1 5.50 0.005 . 1 . . . . . . . . 7098 1 152 . 1 1 16 16 C H5 H 1 5.11 0.005 . 1 . . . . . . . . 7098 1 153 . 1 1 16 16 C H2' H 1 4.52 0.005 . 1 . . . . . . . . 7098 1 154 . 1 1 16 16 C H6 H 1 7.64 0.005 . 1 . . . . . . . . 7098 1 155 . 1 1 16 16 C C5 C 13 97.0 0.1 . 1 . . . . . . . . 7098 1 156 . 1 1 16 16 C C6 C 13 140.8 0.1 . 1 . . . . . . . . 7098 1 157 . 1 1 17 17 G H1' H 1 5.68 0.005 . 1 . . . . . . . . 7098 1 158 . 1 1 17 17 G H2' H 1 4.44 0.005 . 1 . . . . . . . . 7098 1 159 . 1 1 17 17 G H8 H 1 7.48 0.005 . 1 . . . . . . . . 7098 1 160 . 1 1 17 17 G C1' C 13 93.5 0.1 . 1 . . . . . . . . 7098 1 161 . 1 1 17 17 G C8 C 13 135.8 0.1 . 1 . . . . . . . . 7098 1 162 . 1 1 17 17 G H1 H 1 12.78 0.005 . 1 . . . . . . . . 7098 1 163 . 1 1 17 17 G N1 N 15 148.3 0.1 . 1 . . . . . . . . 7098 1 164 . 1 1 18 18 C H1' H 1 5.47 0.005 . 1 . . . . . . . . 7098 1 165 . 1 1 18 18 C H5 H 1 5.13 0.005 . 1 . . . . . . . . 7098 1 166 . 1 1 18 18 C H2' H 1 4.51 0.005 . 1 . . . . . . . . 7098 1 167 . 1 1 18 18 C H6 H 1 7.60 0.005 . 1 . . . . . . . . 7098 1 168 . 1 1 18 18 C C1' C 13 93.5 0.1 . 1 . . . . . . . . 7098 1 169 . 1 1 18 18 C C6 C 13 140.4 0.1 . 1 . . . . . . . . 7098 1 170 . 1 1 19 19 G H1' H 1 5.68 0.005 . 1 . . . . . . . . 7098 1 171 . 1 1 19 19 G H2' H 1 4.50 0.005 . 1 . . . . . . . . 7098 1 172 . 1 1 19 19 G H8 H 1 7.46 0.005 . 1 . . . . . . . . 7098 1 173 . 1 1 19 19 G C1' C 13 92.8 0.1 . 1 . . . . . . . . 7098 1 174 . 1 1 19 19 G C2' C 13 75.2 0.1 . 1 . . . . . . . . 7098 1 175 . 1 1 19 19 G C8 C 13 135.8 0.1 . 1 . . . . . . . . 7098 1 176 . 1 1 19 19 G H1 H 1 12.88 0.005 . 1 . . . . . . . . 7098 1 177 . 1 1 19 19 G N1 N 15 148.3 0.1 . 1 . . . . . . . . 7098 1 178 . 1 1 20 20 C H1' H 1 5.43 0.005 . 1 . . . . . . . . 7098 1 179 . 1 1 20 20 C H5 H 1 5.13 0.005 . 1 . . . . . . . . 7098 1 180 . 1 1 20 20 C H2' H 1 4.51 0.005 . 1 . . . . . . . . 7098 1 181 . 1 1 20 20 C H6 H 1 7.44 0.005 . 1 . . . . . . . . 7098 1 182 . 1 1 20 20 C C1' C 13 93.7 0.1 . 1 . . . . . . . . 7098 1 183 . 1 1 20 20 C C5 C 13 97.3 0.1 . 1 . . . . . . . . 7098 1 184 . 1 1 20 20 C C2' C 13 75.3 0.1 . 1 . . . . . . . . 7098 1 185 . 1 1 20 20 C C6 C 13 140.3 0.1 . 1 . . . . . . . . 7098 1 186 . 1 1 21 21 A H1' H 1 5.94 0.005 . 1 . . . . . . . . 7098 1 187 . 1 1 21 21 A H2 H 1 7.66 0.005 . 1 . . . . . . . . 7098 1 188 . 1 1 21 21 A H2' H 1 4.50 0.005 . 1 . . . . . . . . 7098 1 189 . 1 1 21 21 A H3' H 1 4.53 0.005 . 1 . . . . . . . . 7098 1 190 . 1 1 21 21 A H8 H 1 7.97 0.005 . 1 . . . . . . . . 7098 1 191 . 1 1 21 21 A C1' C 13 92.7 0.1 . 1 . . . . . . . . 7098 1 192 . 1 1 21 21 A C2 C 13 154.5 0.1 . 1 . . . . . . . . 7098 1 193 . 1 1 21 21 A C3' C 13 73.1 0.1 . 1 . . . . . . . . 7098 1 194 . 1 1 21 21 A C8 C 13 139.3 0.1 . 1 . . . . . . . . 7098 1 195 . 1 1 22 22 C H1' H 1 5.29 0.005 . 1 . . . . . . . . 7098 1 196 . 1 1 22 22 C H5 H 1 5.29 0.005 . 1 . . . . . . . . 7098 1 197 . 1 1 22 22 C H2' H 1 4.40 0.005 . 1 . . . . . . . . 7098 1 198 . 1 1 22 22 C H6 H 1 7.46 0.005 . 1 . . . . . . . . 7098 1 199 . 1 1 22 22 C C1' C 13 93.0 0.1 . 1 . . . . . . . . 7098 1 200 . 1 1 22 22 C C5 C 13 97.6 0.1 . 1 . . . . . . . . 7098 1 201 . 1 1 22 22 C C2' C 13 75.6 0.1 . 1 . . . . . . . . 7098 1 202 . 1 1 22 22 C C6 C 13 140.7 0.1 . 1 . . . . . . . . 7098 1 203 . 1 1 23 23 G H1' H 1 5.60 0.005 . 1 . . . . . . . . 7098 1 204 . 1 1 23 23 G H2' H 1 4.64 0.005 . 1 . . . . . . . . 7098 1 205 . 1 1 23 23 G H3' H 1 4.31 0.005 . 1 . . . . . . . . 7098 1 206 . 1 1 23 23 G H8 H 1 7.45 0.005 . 1 . . . . . . . . 7098 1 207 . 1 1 23 23 G C1' C 13 93.2 0.1 . 1 . . . . . . . . 7098 1 208 . 1 1 23 23 G C2' C 13 74.9 0.1 . 1 . . . . . . . . 7098 1 209 . 1 1 23 23 G C3' C 13 73.4 0.1 . 1 . . . . . . . . 7098 1 210 . 1 1 23 23 G C8 C 13 137.1 0.1 . 1 . . . . . . . . 7098 1 211 . 1 1 23 23 G H1 H 1 10.39 0.005 . 1 . . . . . . . . 7098 1 212 . 1 1 23 23 G N1 N 15 143.5 0.1 . 1 . . . . . . . . 7098 1 213 . 1 1 24 24 G H1' H 1 5.63 0.005 . 1 . . . . . . . . 7098 1 214 . 1 1 24 24 G H2' H 1 4.43 0.005 . 1 . . . . . . . . 7098 1 215 . 1 1 24 24 G H8 H 1 7.17 0.005 . 1 . . . . . . . . 7098 1 216 . 1 1 24 24 G C1' C 13 92.9 0.1 . 1 . . . . . . . . 7098 1 217 . 1 1 24 24 G C8 C 13 136.0 0.1 . 1 . . . . . . . . 7098 1 218 . 1 1 24 24 G H1 H 1 13.17 0.005 . 1 . . . . . . . . 7098 1 219 . 1 1 24 24 G N1 N 15 149.3 0.1 . 1 . . . . . . . . 7098 1 220 . 1 1 25 25 C H1' H 1 5.47 0.005 . 1 . . . . . . . . 7098 1 221 . 1 1 25 25 C H5 H 1 5.15 0.005 . 1 . . . . . . . . 7098 1 222 . 1 1 25 25 C H2' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 223 . 1 1 25 25 C H6 H 1 7.56 0.005 . 1 . . . . . . . . 7098 1 224 . 1 1 25 25 C C5 C 13 97.2 0.1 . 1 . . . . . . . . 7098 1 225 . 1 1 25 25 C C2' C 13 72.0 0.1 . 1 . . . . . . . . 7098 1 226 . 1 1 25 25 C C6 C 13 140.6 0.1 . 1 . . . . . . . . 7098 1 227 . 1 1 26 26 A H1' H 1 5.86 0.005 . 1 . . . . . . . . 7098 1 228 . 1 1 26 26 A H2 H 1 6.69 0.005 . 1 . . . . . . . . 7098 1 229 . 1 1 26 26 A H2' H 1 4.60 0.005 . 1 . . . . . . . . 7098 1 230 . 1 1 26 26 A H3' H 1 4.67 0.005 . 1 . . . . . . . . 7098 1 231 . 1 1 26 26 A H4' H 1 4.50 0.005 . 1 . . . . . . . . 7098 1 232 . 1 1 26 26 A H8 H 1 7.92 0.005 . 1 . . . . . . . . 7098 1 233 . 1 1 26 26 A C1' C 13 92.9 0.1 . 1 . . . . . . . . 7098 1 234 . 1 1 26 26 A C2 C 13 152.1 0.1 . 1 . . . . . . . . 7098 1 235 . 1 1 26 26 A C2' C 13 75.6 0.1 . 1 . . . . . . . . 7098 1 236 . 1 1 26 26 A C3' C 13 73.2 0.1 . 1 . . . . . . . . 7098 1 237 . 1 1 26 26 A C8 C 13 139.4 0.1 . 1 . . . . . . . . 7098 1 238 . 1 1 27 27 A H1' H 1 5.76 0.005 . 1 . . . . . . . . 7098 1 239 . 1 1 27 27 A H2 H 1 7.33 0.005 . 1 . . . . . . . . 7098 1 240 . 1 1 27 27 A H2' H 1 4.49 0.005 . 1 . . . . . . . . 7098 1 241 . 1 1 27 27 A H8 H 1 7.68 0.005 . 1 . . . . . . . . 7098 1 242 . 1 1 27 27 A C1' C 13 92.4 0.1 . 1 . . . . . . . . 7098 1 243 . 1 1 27 27 A C2 C 13 153.0 0.1 . 1 . . . . . . . . 7098 1 244 . 1 1 27 27 A C2' C 13 75.5 0.1 . 1 . . . . . . . . 7098 1 245 . 1 1 27 27 A C8 C 13 139.0 0.1 . 1 . . . . . . . . 7098 1 246 . 1 1 28 28 G H1' H 1 5.46 0.005 . 1 . . . . . . . . 7098 1 247 . 1 1 28 28 G H2' H 1 4.14 0.005 . 1 . . . . . . . . 7098 1 248 . 1 1 28 28 G H3' H 1 4.53 0.005 . 1 . . . . . . . . 7098 1 249 . 1 1 28 28 G H8 H 1 7.16 0.005 . 1 . . . . . . . . 7098 1 250 . 1 1 28 28 G C1' C 13 92.4 0.1 . 1 . . . . . . . . 7098 1 251 . 1 1 28 28 G C2' C 13 75.4 0.1 . 1 . . . . . . . . 7098 1 252 . 1 1 28 28 G C3' C 13 73.1 0.1 . 1 . . . . . . . . 7098 1 253 . 1 1 28 28 G C8 C 13 136.4 0.1 . 1 . . . . . . . . 7098 1 254 . 1 1 29 29 A H1' H 1 5.94 0.005 . 1 . . . . . . . . 7098 1 255 . 1 1 29 29 A H2 H 1 7.88 0.005 . 1 . . . . . . . . 7098 1 256 . 1 1 29 29 A H2' H 1 4.46 0.005 . 1 . . . . . . . . 7098 1 257 . 1 1 29 29 A H3' H 1 4.69 0.005 . 1 . . . . . . . . 7098 1 258 . 1 1 29 29 A H4' H 1 4.44 0.005 . 1 . . . . . . . . 7098 1 259 . 1 1 29 29 A H5' H 1 4.11 0.005 . 1 . . . . . . . . 7098 1 260 . 1 1 29 29 A H8 H 1 7.93 0.005 . 1 . . . . . . . . 7098 1 261 . 1 1 29 29 A C1' C 13 91.7 0.1 . 1 . . . . . . . . 7098 1 262 . 1 1 29 29 A C2 C 13 154.9 0.1 . 1 . . . . . . . . 7098 1 263 . 1 1 29 29 A C2' C 13 76.0 0.1 . 1 . . . . . . . . 7098 1 264 . 1 1 29 29 A C3' C 13 74.2 0.1 . 1 . . . . . . . . 7098 1 265 . 1 1 29 29 A C4' C 13 83.2 0.1 . 1 . . . . . . . . 7098 1 266 . 1 1 29 29 A C8 C 13 140.0 0.1 . 1 . . . . . . . . 7098 1 267 . 1 1 30 30 G H1' H 1 5.65 0.005 . 1 . . . . . . . . 7098 1 268 . 1 1 30 30 G H2' H 1 4.64 0.005 . 1 . . . . . . . . 7098 1 269 . 1 1 30 30 G H3' H 1 4.70 0.005 . 1 . . . . . . . . 7098 1 270 . 1 1 30 30 G H4' H 1 4.45 0.005 . 1 . . . . . . . . 7098 1 271 . 1 1 30 30 G H5'' H 1 4.27 0.005 . 1 . . . . . . . . 7098 1 272 . 1 1 30 30 G H5' H 1 4.12 0.005 . 1 . . . . . . . . 7098 1 273 . 1 1 30 30 G H8 H 1 7.66 0.005 . 1 . . . . . . . . 7098 1 274 . 1 1 30 30 G C1' C 13 90.5 0.1 . 1 . . . . . . . . 7098 1 275 . 1 1 30 30 G C2' C 13 74.9 0.1 . 1 . . . . . . . . 7098 1 276 . 1 1 30 30 G C4' C 13 84.6 0.1 . 1 . . . . . . . . 7098 1 277 . 1 1 30 30 G C8 C 13 139.3 0.1 . 1 . . . . . . . . 7098 1 278 . 1 1 31 31 G H1' H 1 5.86 0.005 . 1 . . . . . . . . 7098 1 279 . 1 1 31 31 G H2' H 1 4.81 0.005 . 1 . . . . . . . . 7098 1 280 . 1 1 31 31 G H3' H 1 4.83 0.005 . 1 . . . . . . . . 7098 1 281 . 1 1 31 31 G H4' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 282 . 1 1 31 31 G H8 H 1 7.90 0.005 . 1 . . . . . . . . 7098 1 283 . 1 1 31 31 G C1' C 13 90.3 0.1 . 1 . . . . . . . . 7098 1 284 . 1 1 31 31 G C2' C 13 75.4 0.1 . 1 . . . . . . . . 7098 1 285 . 1 1 31 31 G C4' C 13 84.9 0.1 . 1 . . . . . . . . 7098 1 286 . 1 1 31 31 G C8 C 13 139.7 0.1 . 1 . . . . . . . . 7098 1 287 . 1 1 32 32 C H1' H 1 5.67 0.005 . 1 . . . . . . . . 7098 1 288 . 1 1 32 32 C H5 H 1 5.60 0.005 . 1 . . . . . . . . 7098 1 289 . 1 1 32 32 C H2' H 1 4.58 0.005 . 1 . . . . . . . . 7098 1 290 . 1 1 32 32 C H3' H 1 4.61 0.005 . 1 . . . . . . . . 7098 1 291 . 1 1 32 32 C H4' H 1 4.51 0.005 . 1 . . . . . . . . 7098 1 292 . 1 1 32 32 C H6 H 1 7.76 0.005 . 1 . . . . . . . . 7098 1 293 . 1 1 32 32 C C1' C 13 93.7 0.1 . 1 . . . . . . . . 7098 1 294 . 1 1 32 32 C C5 C 13 98.6 0.1 . 1 . . . . . . . . 7098 1 295 . 1 1 32 32 C C3' C 13 73.6 0.1 . 1 . . . . . . . . 7098 1 296 . 1 1 32 32 C C4' C 13 82.7 0.1 . 1 . . . . . . . . 7098 1 297 . 1 1 32 32 C C6 C 13 142.0 0.1 . 1 . . . . . . . . 7098 1 298 . 1 1 33 33 G H1' H 1 5.80 0.005 . 1 . . . . . . . . 7098 1 299 . 1 1 33 33 G H2' H 1 4.56 0.005 . 1 . . . . . . . . 7098 1 300 . 1 1 33 33 G H3' H 1 4.64 0.005 . 1 . . . . . . . . 7098 1 301 . 1 1 33 33 G H8 H 1 7.75 0.005 . 1 . . . . . . . . 7098 1 302 . 1 1 33 33 G C1' C 13 93.0 0.1 . 1 . . . . . . . . 7098 1 303 . 1 1 33 33 G C8 C 13 136.7 0.1 . 1 . . . . . . . . 7098 1 304 . 1 1 33 33 G H1 H 1 12.98 0.005 . 1 . . . . . . . . 7098 1 305 . 1 1 33 33 G N1 N 15 148.4 0.1 . 1 . . . . . . . . 7098 1 306 . 1 1 34 34 U H1' H 1 5.62 0.005 . 1 . . . . . . . . 7098 1 307 . 1 1 34 34 U H5 H 1 5.16 0.005 . 1 . . . . . . . . 7098 1 308 . 1 1 34 34 U H2' H 1 4.31 0.005 . 1 . . . . . . . . 7098 1 309 . 1 1 34 34 U H6 H 1 7.82 0.005 . 1 . . . . . . . . 7098 1 310 . 1 1 34 34 U C1' C 13 93.6 0.1 . 1 . . . . . . . . 7098 1 311 . 1 1 34 34 U C5 C 13 102.6 0.1 . 1 . . . . . . . . 7098 1 312 . 1 1 34 34 U C2' C 13 75.5 0.1 . 1 . . . . . . . . 7098 1 313 . 1 1 34 34 U C6 C 13 141.8 0.1 . 1 . . . . . . . . 7098 1 314 . 1 1 34 34 U H3 H 1 14.46 0.005 . 1 . . . . . . . . 7098 1 315 . 1 1 34 34 U N3 N 15 163.6 0.1 . 1 . . . . . . . . 7098 1 316 . 1 1 35 35 C H1' H 1 5.90 0.005 . 1 . . . . . . . . 7098 1 317 . 1 1 35 35 C H5 H 1 5.71 0.005 . 1 . . . . . . . . 7098 1 318 . 1 1 35 35 C H2' H 1 4.02 0.005 . 1 . . . . . . . . 7098 1 319 . 1 1 35 35 C H3' H 1 4.22 0.005 . 1 . . . . . . . . 7098 1 320 . 1 1 35 35 C H4' H 1 4.21 0.005 . 1 . . . . . . . . 7098 1 321 . 1 1 35 35 C H5'' H 1 4.49 0.005 . 1 . . . . . . . . 7098 1 322 . 1 1 35 35 C H5' H 1 4.05 0.005 . 1 . . . . . . . . 7098 1 323 . 1 1 35 35 C H6 H 1 7.78 0.005 . 1 . . . . . . . . 7098 1 324 . 1 1 35 35 C C1' C 13 92.7 0.1 . 1 . . . . . . . . 7098 1 325 . 1 1 35 35 C C5 C 13 98.1 0.1 . 1 . . . . . . . . 7098 1 326 . 1 1 35 35 C C2' C 13 77.5 0.1 . 1 . . . . . . . . 7098 1 327 . 1 1 35 35 C C3' C 13 70.0 0.1 . 1 . . . . . . . . 7098 1 328 . 1 1 35 35 C C4' C 13 83.5 0.1 . 1 . . . . . . . . 7098 1 329 . 1 1 35 35 C C6 C 13 142.3 0.1 . 1 . . . . . . . . 7098 1 stop_ save_