data_25999 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25999 _Entry.Title ; Solution structure of the St domain of EMCV IRES ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-16 _Entry.Accession_date 2016-03-23 _Entry.Last_release_date 2016-08-08 _Entry.Original_release_date 2016-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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.ORCID _Entry_author.Entry_ID 1 Shunsuke Imai . . . . 25999 2 Victoria D'Souza . . . . 25999 3 Gerhard Wagner . . . . 25999 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' . 25999 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IRES . 25999 'Viral RNA' . 25999 'translation initiation' . 25999 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25999 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 25999 '1H chemical shifts' 188 25999 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 . . 2016-10-12 2016-03-16 update BMRB 'update entry citation' 25999 1 . . 2016-08-08 2016-03-16 original author 'original release' 25999 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25996 'Solution structure of the J-K region of EMCV IRES' 25999 BMRB 25998 'Solution structure of the K domain of EMCV IRES' 25999 BMRB 26000 'Solution structure of the delta-J-delta-K domain of EMCV IRES' 25999 BMRB 26997 'Solution structure of the J domain of EMCV IRES' 25999 PDB 2NC0 'BMRB Entry Tracking System' 25999 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25999 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27525590 _Citation.Full_citation . _Citation.Title ; An accurately preorganized IRES RNA structure enables eIF4G capture for initiation of viral translation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 9 _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 859 _Citation.Page_last 864 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shunsuke Imai . . . . 25999 1 2 Christopher Hellen . . . . 25999 1 3 Victoria D'Souza . . . . 25999 1 4 Gerhard Wagner . . . . 25999 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25999 _Assembly.ID 1 _Assembly.Name 'St domain of EMCV IRES' _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 (28-MER)' 1 $RNA_(28-MER) A . yes native no no . . . 25999 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(28-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(28-MER) _Entity.Entry_ID 25999 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(28-MER) _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 ; GGGCUGAAGGAUGGAGACGU CUAGGCCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 28 _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 9128.561 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 681 G . 25999 1 2 682 G . 25999 1 3 683 G . 25999 1 4 684 C . 25999 1 5 685 U . 25999 1 6 686 G . 25999 1 7 687 A . 25999 1 8 688 A . 25999 1 9 689 G . 25999 1 10 690 G . 25999 1 11 691 A . 25999 1 12 692 U . 25999 1 13 693 G . 25999 1 14 694 G . 25999 1 15 695 A . 25999 1 16 696 G . 25999 1 17 697 A . 25999 1 18 776 C . 25999 1 19 777 G . 25999 1 20 778 U . 25999 1 21 779 C . 25999 1 22 780 U . 25999 1 23 781 A . 25999 1 24 782 G . 25999 1 25 783 G . 25999 1 26 784 C . 25999 1 27 785 C . 25999 1 28 786 C . 25999 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 25999 1 . G 2 2 25999 1 . G 3 3 25999 1 . C 4 4 25999 1 . U 5 5 25999 1 . G 6 6 25999 1 . A 7 7 25999 1 . A 8 8 25999 1 . G 9 9 25999 1 . G 10 10 25999 1 . A 11 11 25999 1 . U 12 12 25999 1 . G 13 13 25999 1 . G 14 14 25999 1 . A 15 15 25999 1 . G 16 16 25999 1 . A 17 17 25999 1 . C 18 18 25999 1 . G 19 19 25999 1 . U 20 20 25999 1 . C 21 21 25999 1 . U 22 22 25999 1 . A 23 23 25999 1 . G 24 24 25999 1 . G 25 25 25999 1 . C 26 26 25999 1 . C 27 27 25999 1 . C 28 28 25999 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 25999 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(28-MER) . 12104 virus . 'Encephalomyocarditis virus' 'Encephalomyocarditis virus' . . Viruses . Cardiovirus . . . . . . . . . . . . . . 25999 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 25999 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(28-MER) . 'enzymatic semisynthesis' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pUC19 . . . 25999 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25999 _Sample.ID 1 _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 'RNA (28-MER)' 'natural abundance' . . 1 $RNA_(28-MER) . RNA 0.5 . . mM . . . . 25999 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 25999 1 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 25999 1 4 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25999 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25999 _Sample.ID 2 _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 'RNA (28-MER)' 'natural abundance' . . 1 $RNA_(28-MER) . RNA 0.5 . . mM . . . . 25999 2 2 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 25999 2 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 25999 2 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25999 2 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25999 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25999 _Sample.ID 3 _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 'RNA (28-MER)' '[U-13C; U-15N]-Ade, [U-13C; U-15N]-Cyt' . . 1 $RNA_(28-MER) . RNA 0.5 . . mM . . . . 25999 3 2 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 25999 3 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 25999 3 4 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25999 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25999 _Sample.ID 4 _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 'RNA (28-MER)' '[U-13C; U-15N]-Gua, [U-13C; U-15N]-Ura' . . 1 $RNA_(28-MER) . RNA 0.5 . . mM . . . . 25999 4 2 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 25999 4 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 25999 4 4 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25999 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25999 _Sample.ID 5 _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 'RNA (28-MER)' '[U-13C; U-15N]-Ade, [U-13C; U-15N]-Cyt' . . 1 $RNA_(28-MER) . RNA 0.5 . . mM . . . . 25999 5 2 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 25999 5 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 25999 5 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25999 5 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25999 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 25999 _Sample.ID 6 _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 'RNA (28-MER)' '[U-13C; U-15N]-Gua, [U-13C; U-15N]-Ura' . . 1 $RNA_(28-MER) . RAN 0.5 . . mM . . . . 25999 6 2 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 25999 6 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 25999 6 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25999 6 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25999 6 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 25999 _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' 20 . mM 25999 1 pH 6.5 . pH 25999 1 pressure 1 . atm 25999 1 temperature 308 . K 25999 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 25999 _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' 20 . mM 25999 2 pH 6.5 . pH 25999 2 pressure 1 . atm 25999 2 temperature 283 . K 25999 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 25999 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 25999 3 pH 5.5 . pH 25999 3 pressure 1 . atm 25999 3 temperature 283 . K 25999 3 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25999 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25999 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25999 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25999 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25999 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25999 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25999 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25999 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25999 3 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 25999 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25999 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25999 _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 . 800 . . . 25999 1 2 spectrometer_2 Bruker Avance . 700 . . . 25999 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 25999 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25999 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25999 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25999 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25999 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25999 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25999 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25999 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25999 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 3 $sample_conditions_3 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25999 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25999 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 3 $sample_conditions_3 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25999 1 stop_ 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 25999 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25999 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 25999 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 25999 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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-1H NOESY' 1 $sample_1 isotropic 25999 1 4 '2D 1H-13C HSQC' 3 $sample_3 isotropic 25999 1 6 '2D 1H-13C HSQC' 4 $sample_4 isotropic 25999 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 5.88 0.03 . 1 . . . A 681 G H1' . 25999 1 2 . 1 1 1 1 G H2' H 1 4.96 0.03 . 1 . . . A 681 G H2' . 25999 1 3 . 1 1 1 1 G H3' H 1 4.76 0.03 . 1 . . . A 681 G H3' . 25999 1 4 . 1 1 1 1 G H4' H 1 4.60 0.03 . 1 . . . A 681 G H4' . 25999 1 5 . 1 1 1 1 G H5' H 1 4.46 0.03 . 2 . . . A 681 G H5' . 25999 1 6 . 1 1 1 1 G H5'' H 1 4.33 0.03 . 2 . . . A 681 G H5'' . 25999 1 7 . 1 1 1 1 G H8 H 1 8.17 0.03 . 1 . . . A 681 G H8 . 25999 1 8 . 1 1 1 1 G C1' C 13 88.58 0.1 . 1 . . . A 681 G C1' . 25999 1 9 . 1 1 1 1 G C2' C 13 72.57 0.1 . 1 . . . A 681 G C2' . 25999 1 10 . 1 1 1 1 G C3' C 13 72.36 0.1 . 1 . . . A 681 G C3' . 25999 1 11 . 1 1 1 1 G C4' C 13 80.86 0.1 . 1 . . . A 681 G C4' . 25999 1 12 . 1 1 1 1 G C5' C 13 64.78 0.1 . 1 . . . A 681 G C5' . 25999 1 13 . 1 1 1 1 G C8 C 13 136.44 0.1 . 1 . . . A 681 G C8 . 25999 1 14 . 1 1 2 2 G H1' H 1 5.97 0.03 . 1 . . . A 682 G H1' . 25999 1 15 . 1 1 2 2 G H2' H 1 4.74 0.03 . 1 . . . A 682 G H2' . 25999 1 16 . 1 1 2 2 G H3' H 1 4.61 0.03 . 1 . . . A 682 G H3' . 25999 1 17 . 1 1 2 2 G H4' H 1 4.59 0.03 . 1 . . . A 682 G H4' . 25999 1 18 . 1 1 2 2 G H5' H 1 4.33 0.03 . 2 . . . A 682 G H5' . 25999 1 19 . 1 1 2 2 G H5'' H 1 4.52 0.03 . 2 . . . A 682 G H5'' . 25999 1 20 . 1 1 2 2 G H8 H 1 7.62 0.03 . 1 . . . A 682 G H8 . 25999 1 21 . 1 1 2 2 G C1' C 13 90.12 0.1 . 1 . . . A 682 G C1' . 25999 1 22 . 1 1 2 2 G C2' C 13 72.94 0.1 . 1 . . . A 682 G C2' . 25999 1 23 . 1 1 2 2 G C3' C 13 70.68 0.1 . 1 . . . A 682 G C3' . 25999 1 24 . 1 1 2 2 G C4' C 13 79.79 0.1 . 1 . . . A 682 G C4' . 25999 1 25 . 1 1 2 2 G C5' C 13 63.82 0.1 . 1 . . . A 682 G C5' . 25999 1 26 . 1 1 2 2 G C8 C 13 134.28 0.1 . 1 . . . A 682 G C8 . 25999 1 27 . 1 1 3 3 G H1' H 1 5.82 0.03 . 1 . . . A 683 G H1' . 25999 1 28 . 1 1 3 3 G H2' H 1 4.55 0.03 . 1 . . . A 683 G H2' . 25999 1 29 . 1 1 3 3 G H3' H 1 4.46 0.03 . 1 . . . A 683 G H3' . 25999 1 30 . 1 1 3 3 G H4' H 1 4.52 0.03 . 1 . . . A 683 G H4' . 25999 1 31 . 1 1 3 3 G H8 H 1 7.32 0.03 . 1 . . . A 683 G H8 . 25999 1 32 . 1 1 3 3 G C1' C 13 90.38 0.1 . 1 . . . A 683 G C1' . 25999 1 33 . 1 1 3 3 G C2' C 13 72.77 0.1 . 1 . . . A 683 G C2' . 25999 1 34 . 1 1 3 3 G C3' C 13 70.38 0.1 . 1 . . . A 683 G C3' . 25999 1 35 . 1 1 3 3 G C4' C 13 79.47 0.1 . 1 . . . A 683 G C4' . 25999 1 36 . 1 1 3 3 G C8 C 13 133.41 0.1 . 1 . . . A 683 G C8 . 25999 1 37 . 1 1 4 4 C H1' H 1 5.58 0.03 . 1 . . . A 684 C H1' . 25999 1 38 . 1 1 4 4 C H2' H 1 4.66 0.03 . 1 . . . A 684 C H2' . 25999 1 39 . 1 1 4 4 C H3' H 1 4.31 0.03 . 1 . . . A 684 C H3' . 25999 1 40 . 1 1 4 4 C H4' H 1 4.44 0.03 . 1 . . . A 684 C H4' . 25999 1 41 . 1 1 4 4 C H5 H 1 5.19 0.03 . 1 . . . A 684 C H5 . 25999 1 42 . 1 1 4 4 C H6 H 1 7.54 0.03 . 1 . . . A 684 C H6 . 25999 1 43 . 1 1 4 4 C C1' C 13 91.25 0.1 . 1 . . . A 684 C C1' . 25999 1 44 . 1 1 4 4 C C2' C 13 72.79 0.1 . 1 . . . A 684 C C2' . 25999 1 45 . 1 1 4 4 C C3' C 13 69.65 0.1 . 1 . . . A 684 C C3' . 25999 1 46 . 1 1 4 4 C C4' C 13 79.30 0.1 . 1 . . . A 684 C C4' . 25999 1 47 . 1 1 4 4 C C5 C 13 94.61 0.1 . 1 . . . A 684 C C5 . 25999 1 48 . 1 1 4 4 C C6 C 13 138.16 0.1 . 1 . . . A 684 C C6 . 25999 1 49 . 1 1 5 5 U H1' H 1 5.61 0.03 . 1 . . . A 685 U H1' . 25999 1 50 . 1 1 5 5 U H2' H 1 4.42 0.03 . 1 . . . A 685 U H2' . 25999 1 51 . 1 1 5 5 U H3' H 1 4.41 0.03 . 1 . . . A 685 U H3' . 25999 1 52 . 1 1 5 5 U H4' H 1 4.44 0.03 . 1 . . . A 685 U H4' . 25999 1 53 . 1 1 5 5 U H5 H 1 5.62 0.03 . 1 . . . A 685 U H5 . 25999 1 54 . 1 1 5 5 U H5' H 1 4.11 0.03 . 2 . . . A 685 U H5' . 25999 1 55 . 1 1 5 5 U H5'' H 1 4.42 0.03 . 2 . . . A 685 U H5'' . 25999 1 56 . 1 1 5 5 U H6 H 1 7.66 0.03 . 1 . . . A 685 U H6 . 25999 1 57 . 1 1 5 5 U C1' C 13 91.66 0.1 . 1 . . . A 685 U C1' . 25999 1 58 . 1 1 5 5 U C2' C 13 72.87 0.1 . 1 . . . A 685 U C2' . 25999 1 59 . 1 1 5 5 U C3' C 13 70.49 0.1 . 1 . . . A 685 U C3' . 25999 1 60 . 1 1 5 5 U C4' C 13 80.14 0.1 . 1 . . . A 685 U C4' . 25999 1 61 . 1 1 5 5 U C5 C 13 102.44 0.1 . 1 . . . A 685 U C5 . 25999 1 62 . 1 1 5 5 U C5' C 13 63.10 0.1 . 1 . . . A 685 U C5' . 25999 1 63 . 1 1 5 5 U C6 C 13 138.18 0.1 . 1 . . . A 685 U C6 . 25999 1 64 . 1 1 6 6 G H1' H 1 5.38 0.03 . 1 . . . A 686 G H1' . 25999 1 65 . 1 1 6 6 G H2' H 1 4.19 0.03 . 1 . . . A 686 G H2' . 25999 1 66 . 1 1 6 6 G H3' H 1 4.63 0.03 . 1 . . . A 686 G H3' . 25999 1 67 . 1 1 6 6 G H4' H 1 4.47 0.03 . 1 . . . A 686 G H4' . 25999 1 68 . 1 1 6 6 G H5' H 1 4.45 0.03 . 2 . . . A 686 G H5' . 25999 1 69 . 1 1 6 6 G H5'' H 1 4.12 0.03 . 2 . . . A 686 G H5'' . 25999 1 70 . 1 1 6 6 G H8 H 1 7.75 0.03 . 1 . . . A 686 G H8 . 25999 1 71 . 1 1 6 6 G C1' C 13 88.64 0.1 . 1 . . . A 686 G C1' . 25999 1 72 . 1 1 6 6 G C2' C 13 73.27 0.1 . 1 . . . A 686 G C2' . 25999 1 73 . 1 1 6 6 G C3' C 13 72.54 0.1 . 1 . . . A 686 G C3' . 25999 1 74 . 1 1 6 6 G C4' C 13 81.09 0.1 . 1 . . . A 686 G C4' . 25999 1 75 . 1 1 6 6 G C5' C 13 63.40 0.1 . 1 . . . A 686 G C5' . 25999 1 76 . 1 1 6 6 G C8 C 13 135.31 0.1 . 1 . . . A 686 G C8 . 25999 1 77 . 1 1 7 7 A H1' H 1 5.79 0.03 . 1 . . . A 687 A H1' . 25999 1 78 . 1 1 7 7 A H2 H 1 7.59 0.03 . 1 . . . A 687 A H2 . 25999 1 79 . 1 1 7 7 A H2' H 1 4.50 0.03 . 1 . . . A 687 A H2' . 25999 1 80 . 1 1 7 7 A H3' H 1 4.69 0.03 . 1 . . . A 687 A H3' . 25999 1 81 . 1 1 7 7 A H4' H 1 4.55 0.03 . 1 . . . A 687 A H4' . 25999 1 82 . 1 1 7 7 A H5' H 1 4.30 0.03 . 2 . . . A 687 A H5' . 25999 1 83 . 1 1 7 7 A H5'' H 1 4.14 0.03 . 2 . . . A 687 A H5'' . 25999 1 84 . 1 1 7 7 A H8 H 1 8.04 0.03 . 1 . . . A 687 A H8 . 25999 1 85 . 1 1 7 7 A C1' C 13 87.07 0.1 . 1 . . . A 687 A C1' . 25999 1 86 . 1 1 7 7 A C2 C 13 151.93 0.1 . 1 . . . A 687 A C2 . 25999 1 87 . 1 1 7 7 A C2' C 13 73.93 0.1 . 1 . . . A 687 A C2' . 25999 1 88 . 1 1 7 7 A C3' C 13 73.96 0.1 . 1 . . . A 687 A C3' . 25999 1 89 . 1 1 7 7 A C4' C 13 82.53 0.1 . 1 . . . A 687 A C4' . 25999 1 90 . 1 1 7 7 A C5' C 13 65.28 0.1 . 1 . . . A 687 A C5' . 25999 1 91 . 1 1 7 7 A C8 C 13 138.82 0.1 . 1 . . . A 687 A C8 . 25999 1 92 . 1 1 8 8 A H1' H 1 6.03 0.03 . 1 . . . A 688 A H1' . 25999 1 93 . 1 1 8 8 A H2 H 1 8.19 0.03 . 1 . . . A 688 A H2 . 25999 1 94 . 1 1 8 8 A H2' H 1 4.91 0.03 . 1 . . . A 688 A H2' . 25999 1 95 . 1 1 8 8 A H3' H 1 4.81 0.03 . 1 . . . A 688 A H3' . 25999 1 96 . 1 1 8 8 A H4' H 1 4.67 0.03 . 1 . . . A 688 A H4' . 25999 1 97 . 1 1 8 8 A H5' H 1 4.43 0.03 . 2 . . . A 688 A H5' . 25999 1 98 . 1 1 8 8 A H5'' H 1 4.27 0.03 . 2 . . . A 688 A H5'' . 25999 1 99 . 1 1 8 8 A H8 H 1 8.39 0.03 . 1 . . . A 688 A H8 . 25999 1 100 . 1 1 8 8 A C1' C 13 88.07 0.1 . 1 . . . A 688 A C1' . 25999 1 101 . 1 1 8 8 A C2 C 13 152.68 0.1 . 1 . . . A 688 A C2 . 25999 1 102 . 1 1 8 8 A C2' C 13 73.66 0.1 . 1 . . . A 688 A C2' . 25999 1 103 . 1 1 8 8 A C3' C 13 73.56 0.1 . 1 . . . A 688 A C3' . 25999 1 104 . 1 1 8 8 A C4' C 13 81.85 0.1 . 1 . . . A 688 A C4' . 25999 1 105 . 1 1 8 8 A C5' C 13 64.54 0.1 . 1 . . . A 688 A C5' . 25999 1 106 . 1 1 8 8 A C8 C 13 139.41 0.1 . 1 . . . A 688 A C8 . 25999 1 107 . 1 1 9 9 G H1' H 1 5.65 0.03 . 1 . . . A 689 G H1' . 25999 1 108 . 1 1 9 9 G H2' H 1 4.79 0.03 . 1 . . . A 689 G H2' . 25999 1 109 . 1 1 9 9 G H3' H 1 4.66 0.03 . 1 . . . A 689 G H3' . 25999 1 110 . 1 1 9 9 G H4' H 1 4.60 0.03 . 1 . . . A 689 G H4' . 25999 1 111 . 1 1 9 9 G H5' H 1 4.48 0.03 . 2 . . . A 689 G H5' . 25999 1 112 . 1 1 9 9 G H5'' H 1 4.30 0.03 . 2 . . . A 689 G H5'' . 25999 1 113 . 1 1 9 9 G H8 H 1 7.89 0.03 . 1 . . . A 689 G H8 . 25999 1 114 . 1 1 9 9 G C1' C 13 89.56 0.1 . 1 . . . A 689 G C1' . 25999 1 115 . 1 1 9 9 G C2' C 13 72.79 0.1 . 1 . . . A 689 G C2' . 25999 1 116 . 1 1 9 9 G C3' C 13 71.46 0.1 . 1 . . . A 689 G C3' . 25999 1 117 . 1 1 9 9 G C4' C 13 80.35 0.1 . 1 . . . A 689 G C4' . 25999 1 118 . 1 1 9 9 G C5' C 13 64.19 0.1 . 1 . . . A 689 G C5' . 25999 1 119 . 1 1 9 9 G C8 C 13 135.59 0.1 . 1 . . . A 689 G C8 . 25999 1 120 . 1 1 10 10 G H1' H 1 5.66 0.03 . 1 . . . A 690 G H1' . 25999 1 121 . 1 1 10 10 G H2' H 1 4.55 0.03 . 1 . . . A 690 G H2' . 25999 1 122 . 1 1 10 10 G H3' H 1 4.71 0.03 . 1 . . . A 690 G H3' . 25999 1 123 . 1 1 10 10 G H4' H 1 4.55 0.03 . 1 . . . A 690 G H4' . 25999 1 124 . 1 1 10 10 G H5' H 1 4.19 0.03 . 2 . . . A 690 G H5' . 25999 1 125 . 1 1 10 10 G H5'' H 1 4.49 0.03 . 2 . . . A 690 G H5'' . 25999 1 126 . 1 1 10 10 G H8 H 1 7.33 0.03 . 1 . . . A 690 G H8 . 25999 1 127 . 1 1 10 10 G C1' C 13 90.25 0.1 . 1 . . . A 690 G C1' . 25999 1 128 . 1 1 10 10 G C2' C 13 70.57 0.1 . 1 . . . A 690 G C2' . 25999 1 129 . 1 1 10 10 G C3' C 13 72.67 0.1 . 1 . . . A 690 G C3' . 25999 1 130 . 1 1 10 10 G C4' C 13 79.65 0.1 . 1 . . . A 690 G C4' . 25999 1 131 . 1 1 10 10 G C5' C 13 63.24 0.1 . 1 . . . A 690 G C5' . 25999 1 132 . 1 1 10 10 G C8 C 13 133.98 0.1 . 1 . . . A 690 G C8 . 25999 1 133 . 1 1 11 11 A H1' H 1 6.05 0.03 . 1 . . . A 691 A H1' . 25999 1 134 . 1 1 11 11 A H2 H 1 7.88 0.03 . 1 . . . A 691 A H2 . 25999 1 135 . 1 1 11 11 A H2' H 1 4.51 0.03 . 1 . . . A 691 A H2' . 25999 1 136 . 1 1 11 11 A H4' H 1 4.57 0.03 . 1 . . . A 691 A H4' . 25999 1 137 . 1 1 11 11 A H5' H 1 4.61 0.03 . 2 . . . A 691 A H5' . 25999 1 138 . 1 1 11 11 A H5'' H 1 4.17 0.03 . 2 . . . A 691 A H5'' . 25999 1 139 . 1 1 11 11 A H8 H 1 7.72 0.03 . 1 . . . A 691 A H8 . 25999 1 140 . 1 1 11 11 A C1' C 13 90.62 0.1 . 1 . . . A 691 A C1' . 25999 1 141 . 1 1 11 11 A C2 C 13 151.26 0.1 . 1 . . . A 691 A C2 . 25999 1 142 . 1 1 11 11 A C2' C 13 69.87 0.1 . 1 . . . A 691 A C2' . 25999 1 143 . 1 1 11 11 A C4' C 13 79.53 0.1 . 1 . . . A 691 A C4' . 25999 1 144 . 1 1 11 11 A C5' C 13 62.16 0.1 . 1 . . . A 691 A C5' . 25999 1 145 . 1 1 11 11 A C8 C 13 136.62 0.1 . 1 . . . A 691 A C8 . 25999 1 146 . 1 1 12 12 U H1' H 1 5.39 0.03 . 1 . . . A 692 U H1' . 25999 1 147 . 1 1 12 12 U H2' H 1 4.26 0.03 . 1 . . . A 692 U H2' . 25999 1 148 . 1 1 12 12 U H3' H 1 4.53 0.03 . 1 . . . A 692 U H3' . 25999 1 149 . 1 1 12 12 U H5 H 1 5.40 0.03 . 1 . . . A 692 U H5 . 25999 1 150 . 1 1 12 12 U H5' H 1 4.52 0.03 . 2 . . . A 692 U H5' . 25999 1 151 . 1 1 12 12 U H5'' H 1 4.11 0.03 . 2 . . . A 692 U H5'' . 25999 1 152 . 1 1 12 12 U H6 H 1 7.48 0.03 . 1 . . . A 692 U H6 . 25999 1 153 . 1 1 12 12 U C1' C 13 90.38 0.1 . 1 . . . A 692 U C1' . 25999 1 154 . 1 1 12 12 U C2' C 13 73.22 0.1 . 1 . . . A 692 U C2' . 25999 1 155 . 1 1 12 12 U C3' C 13 70.22 0.1 . 1 . . . A 692 U C3' . 25999 1 156 . 1 1 12 12 U C5 C 13 101.57 0.1 . 1 . . . A 692 U C5 . 25999 1 157 . 1 1 12 12 U C5' C 13 61.88 0.1 . 1 . . . A 692 U C5' . 25999 1 158 . 1 1 12 12 U C6 C 13 137.58 0.1 . 1 . . . A 692 U C6 . 25999 1 159 . 1 1 13 13 G H1' H 1 5.79 0.03 . 1 . . . A 693 G H1' . 25999 1 160 . 1 1 13 13 G H2' H 1 4.64 0.03 . 1 . . . A 693 G H2' . 25999 1 161 . 1 1 13 13 G H4' H 1 4.47 0.03 . 1 . . . A 693 G H4' . 25999 1 162 . 1 1 13 13 G H5' H 1 4.50 0.03 . 2 . . . A 693 G H5' . 25999 1 163 . 1 1 13 13 G H5'' H 1 4.18 0.03 . 2 . . . A 693 G H5'' . 25999 1 164 . 1 1 13 13 G H8 H 1 7.77 0.03 . 1 . . . A 693 G H8 . 25999 1 165 . 1 1 13 13 G C1' C 13 89.88 0.1 . 1 . . . A 693 G C1' . 25999 1 166 . 1 1 13 13 G C2' C 13 73.01 0.1 . 1 . . . A 693 G C2' . 25999 1 167 . 1 1 13 13 G C4' C 13 79.54 0.1 . 1 . . . A 693 G C4' . 25999 1 168 . 1 1 13 13 G C5' C 13 63.25 0.1 . 1 . . . A 693 G C5' . 25999 1 169 . 1 1 13 13 G C8 C 13 134.30 0.1 . 1 . . . A 693 G C8 . 25999 1 170 . 1 1 14 14 G H1' H 1 5.70 0.03 . 1 . . . A 694 G H1' . 25999 1 171 . 1 1 14 14 G H2' H 1 4.38 0.03 . 1 . . . A 694 G H2' . 25999 1 172 . 1 1 14 14 G H3' H 1 4.62 0.03 . 1 . . . A 694 G H3' . 25999 1 173 . 1 1 14 14 G H4' H 1 4.39 0.03 . 1 . . . A 694 G H4' . 25999 1 174 . 1 1 14 14 G H5' H 1 4.46 0.03 . 2 . . . A 694 G H5' . 25999 1 175 . 1 1 14 14 G H5'' H 1 4.15 0.03 . 2 . . . A 694 G H5'' . 25999 1 176 . 1 1 14 14 G H8 H 1 7.30 0.03 . 1 . . . A 694 G H8 . 25999 1 177 . 1 1 14 14 G C1' C 13 90.59 0.1 . 1 . . . A 694 G C1' . 25999 1 178 . 1 1 14 14 G C2' C 13 72.91 0.1 . 1 . . . A 694 G C2' . 25999 1 179 . 1 1 14 14 G C3' C 13 70.04 0.1 . 1 . . . A 694 G C3' . 25999 1 180 . 1 1 14 14 G C4' C 13 79.85 0.1 . 1 . . . A 694 G C4' . 25999 1 181 . 1 1 14 14 G C5' C 13 62.42 0.1 . 1 . . . A 694 G C5' . 25999 1 182 . 1 1 14 14 G C8 C 13 133.66 0.1 . 1 . . . A 694 G C8 . 25999 1 183 . 1 1 15 15 A H1' H 1 5.78 0.03 . 1 . . . A 695 A H1' . 25999 1 184 . 1 1 15 15 A H2 H 1 7.98 0.03 . 1 . . . A 695 A H2 . 25999 1 185 . 1 1 15 15 A H2' H 1 4.73 0.03 . 1 . . . A 695 A H2' . 25999 1 186 . 1 1 15 15 A H3' H 1 4.46 0.03 . 1 . . . A 695 A H3' . 25999 1 187 . 1 1 15 15 A H4' H 1 4.26 0.03 . 1 . . . A 695 A H4' . 25999 1 188 . 1 1 15 15 A H5' H 1 4.27 0.03 . 2 . . . A 695 A H5' . 25999 1 189 . 1 1 15 15 A H5'' H 1 3.95 0.03 . 2 . . . A 695 A H5'' . 25999 1 190 . 1 1 15 15 A H8 H 1 8.26 0.03 . 1 . . . A 695 A H8 . 25999 1 191 . 1 1 15 15 A C1' C 13 89.44 0.1 . 1 . . . A 695 A C1' . 25999 1 192 . 1 1 15 15 A C2 C 13 151.99 0.1 . 1 . . . A 695 A C2 . 25999 1 193 . 1 1 15 15 A C2' C 13 73.30 0.1 . 1 . . . A 695 A C2' . 25999 1 194 . 1 1 15 15 A C3' C 13 71.22 0.1 . 1 . . . A 695 A C3' . 25999 1 195 . 1 1 15 15 A C4' C 13 80.83 0.1 . 1 . . . A 695 A C4' . 25999 1 196 . 1 1 15 15 A C5' C 13 62.04 0.1 . 1 . . . A 695 A C5' . 25999 1 197 . 1 1 15 15 A C8 C 13 139.26 0.1 . 1 . . . A 695 A C8 . 25999 1 198 . 1 1 16 16 G H1' H 1 5.21 0.03 . 1 . . . A 696 G H1' . 25999 1 199 . 1 1 16 16 G H2' H 1 4.36 0.03 . 1 . . . A 696 G H2' . 25999 1 200 . 1 1 16 16 G H3' H 1 4.64 0.03 . 1 . . . A 696 G H3' . 25999 1 201 . 1 1 16 16 G H4' H 1 4.33 0.03 . 1 . . . A 696 G H4' . 25999 1 202 . 1 1 16 16 G H5' H 1 4.16 0.03 . 2 . . . A 696 G H5' . 25999 1 203 . 1 1 16 16 G H5'' H 1 3.99 0.03 . 2 . . . A 696 G H5'' . 25999 1 204 . 1 1 16 16 G H8 H 1 7.63 0.03 . 1 . . . A 696 G H8 . 25999 1 205 . 1 1 16 16 G C1' C 13 89.15 0.1 . 1 . . . A 696 G C1' . 25999 1 206 . 1 1 16 16 G C2' C 13 73.02 0.1 . 1 . . . A 696 G C2' . 25999 1 207 . 1 1 16 16 G C3' C 13 71.87 0.1 . 1 . . . A 696 G C3' . 25999 1 208 . 1 1 16 16 G C4' C 13 80.67 0.1 . 1 . . . A 696 G C4' . 25999 1 209 . 1 1 16 16 G C5' C 13 63.01 0.1 . 1 . . . A 696 G C5' . 25999 1 210 . 1 1 16 16 G C8 C 13 135.04 0.1 . 1 . . . A 696 G C8 . 25999 1 211 . 1 1 17 17 A H1' H 1 6.11 0.03 . 1 . . . A 697 A H1' . 25999 1 212 . 1 1 17 17 A H2 H 1 8.26 0.03 . 1 . . . A 697 A H2 . 25999 1 213 . 1 1 17 17 A H2' H 1 4.62 0.03 . 1 . . . A 697 A H2' . 25999 1 214 . 1 1 17 17 A H3' H 1 4.92 0.03 . 1 . . . A 697 A H3' . 25999 1 215 . 1 1 17 17 A H4' H 1 4.50 0.03 . 1 . . . A 697 A H4' . 25999 1 216 . 1 1 17 17 A H5' H 1 4.56 0.03 . 2 . . . A 697 A H5' . 25999 1 217 . 1 1 17 17 A H5'' H 1 4.28 0.03 . 2 . . . A 697 A H5'' . 25999 1 218 . 1 1 17 17 A H8 H 1 8.26 0.03 . 1 . . . A 697 A H8 . 25999 1 219 . 1 1 17 17 A C1' C 13 88.86 0.1 . 1 . . . A 697 A C1' . 25999 1 220 . 1 1 17 17 A C2 C 13 152.98 0.1 . 1 . . . A 697 A C2 . 25999 1 221 . 1 1 17 17 A C2' C 13 74.03 0.1 . 1 . . . A 697 A C2' . 25999 1 222 . 1 1 17 17 A C3' C 13 71.04 0.1 . 1 . . . A 697 A C3' . 25999 1 223 . 1 1 17 17 A C4' C 13 80.24 0.1 . 1 . . . A 697 A C4' . 25999 1 224 . 1 1 17 17 A C5' C 13 63.13 0.1 . 1 . . . A 697 A C5' . 25999 1 225 . 1 1 17 17 A C8 C 13 137.99 0.1 . 1 . . . A 697 A C8 . 25999 1 226 . 1 1 18 18 C H1' H 1 4.17 0.03 . 1 . . . A 776 C H1' . 25999 1 227 . 1 1 18 18 C H2' H 1 4.18 0.03 . 1 . . . A 776 C H2' . 25999 1 228 . 1 1 18 18 C H3' H 1 4.50 0.03 . 1 . . . A 776 C H3' . 25999 1 229 . 1 1 18 18 C H4' H 1 4.26 0.03 . 1 . . . A 776 C H4' . 25999 1 230 . 1 1 18 18 C H5 H 1 6.08 0.03 . 1 . . . A 776 C H5 . 25999 1 231 . 1 1 18 18 C H5' H 1 4.28 0.03 . 2 . . . A 776 C H5' . 25999 1 232 . 1 1 18 18 C H6 H 1 7.88 0.03 . 1 . . . A 776 C H6 . 25999 1 233 . 1 1 18 18 C C1' C 13 91.28 0.1 . 1 . . . A 776 C C1' . 25999 1 234 . 1 1 18 18 C C2' C 13 71.96 0.1 . 1 . . . A 776 C C2' . 25999 1 235 . 1 1 18 18 C C3' C 13 72.65 0.1 . 1 . . . A 776 C C3' . 25999 1 236 . 1 1 18 18 C C4' C 13 79.77 0.1 . 1 . . . A 776 C C4' . 25999 1 237 . 1 1 18 18 C C5 C 13 96.79 0.1 . 1 . . . A 776 C C5 . 25999 1 238 . 1 1 18 18 C C5' C 13 65.66 0.1 . 1 . . . A 776 C C5' . 25999 1 239 . 1 1 18 18 C C6 C 13 139.14 0.1 . 1 . . . A 776 C C6 . 25999 1 240 . 1 1 19 19 G H1' H 1 5.77 0.03 . 1 . . . A 777 G H1' . 25999 1 241 . 1 1 19 19 G H2' H 1 4.25 0.03 . 1 . . . A 777 G H2' . 25999 1 242 . 1 1 19 19 G H3' H 1 4.48 0.03 . 1 . . . A 777 G H3' . 25999 1 243 . 1 1 19 19 G H4' H 1 4.48 0.03 . 1 . . . A 777 G H4' . 25999 1 244 . 1 1 19 19 G H5' H 1 4.38 0.03 . 2 . . . A 777 G H5' . 25999 1 245 . 1 1 19 19 G H5'' H 1 4.09 0.03 . 2 . . . A 777 G H5'' . 25999 1 246 . 1 1 19 19 G H8 H 1 7.67 0.03 . 1 . . . A 777 G H8 . 25999 1 247 . 1 1 19 19 G C1' C 13 91.04 0.1 . 1 . . . A 777 G C1' . 25999 1 248 . 1 1 19 19 G C2' C 13 71.12 0.1 . 1 . . . A 777 G C2' . 25999 1 249 . 1 1 19 19 G C4' C 13 79.89 0.1 . 1 . . . A 777 G C4' . 25999 1 250 . 1 1 19 19 G C5' C 13 64.58 0.1 . 1 . . . A 777 G C5' . 25999 1 251 . 1 1 19 19 G C8 C 13 135.12 0.1 . 1 . . . A 777 G C8 . 25999 1 252 . 1 1 20 20 U H1' H 1 5.54 0.03 . 1 . . . A 778 U H1' . 25999 1 253 . 1 1 20 20 U H2' H 1 4.43 0.03 . 1 . . . A 778 U H2' . 25999 1 254 . 1 1 20 20 U H3' H 1 4.54 0.03 . 1 . . . A 778 U H3' . 25999 1 255 . 1 1 20 20 U H5 H 1 5.20 0.03 . 1 . . . A 778 U H5 . 25999 1 256 . 1 1 20 20 U H6 H 1 7.77 0.03 . 1 . . . A 778 U H6 . 25999 1 257 . 1 1 20 20 U C1' C 13 91.21 0.1 . 1 . . . A 778 U C1' . 25999 1 258 . 1 1 20 20 U C2' C 13 72.80 0.1 . 1 . . . A 778 U C2' . 25999 1 259 . 1 1 20 20 U C3' C 13 69.30 0.1 . 1 . . . A 778 U C3' . 25999 1 260 . 1 1 20 20 U C5 C 13 100.18 0.1 . 1 . . . A 778 U C5 . 25999 1 261 . 1 1 20 20 U C6 C 13 138.78 0.1 . 1 . . . A 778 U C6 . 25999 1 262 . 1 1 21 21 C H1' H 1 5.61 0.03 . 1 . . . A 779 C H1' . 25999 1 263 . 1 1 21 21 C H2' H 1 4.49 0.03 . 1 . . . A 779 C H2' . 25999 1 264 . 1 1 21 21 C H3' H 1 4.42 0.03 . 1 . . . A 779 C H3' . 25999 1 265 . 1 1 21 21 C H5 H 1 5.61 0.03 . 1 . . . A 779 C H5 . 25999 1 266 . 1 1 21 21 C H6 H 1 7.80 0.03 . 1 . . . A 779 C H6 . 25999 1 267 . 1 1 21 21 C C1' C 13 91.53 0.1 . 1 . . . A 779 C C1' . 25999 1 268 . 1 1 21 21 C C2' C 13 72.94 0.1 . 1 . . . A 779 C C2' . 25999 1 269 . 1 1 21 21 C C3' C 13 69.72 0.1 . 1 . . . A 779 C C3' . 25999 1 270 . 1 1 21 21 C C5 C 13 94.98 0.1 . 1 . . . A 779 C C5 . 25999 1 271 . 1 1 21 21 C C6 C 13 138.92 0.1 . 1 . . . A 779 C C6 . 25999 1 272 . 1 1 22 22 U H1' H 1 5.70 0.03 . 1 . . . A 780 U H1' . 25999 1 273 . 1 1 22 22 U H2' H 1 4.39 0.03 . 1 . . . A 780 U H2' . 25999 1 274 . 1 1 22 22 U H3' H 1 4.65 0.03 . 1 . . . A 780 U H3' . 25999 1 275 . 1 1 22 22 U H5 H 1 5.55 0.03 . 1 . . . A 780 U H5 . 25999 1 276 . 1 1 22 22 U H5' H 1 4.53 0.03 . 2 . . . A 780 U H5' . 25999 1 277 . 1 1 22 22 U H5'' H 1 4.13 0.03 . 2 . . . A 780 U H5'' . 25999 1 278 . 1 1 22 22 U H6 H 1 7.76 0.03 . 1 . . . A 780 U H6 . 25999 1 279 . 1 1 22 22 U C1' C 13 90.80 0.1 . 1 . . . A 780 U C1' . 25999 1 280 . 1 1 22 22 U C2' C 13 73.10 0.1 . 1 . . . A 780 U C2' . 25999 1 281 . 1 1 22 22 U C3' C 13 70.75 0.1 . 1 . . . A 780 U C3' . 25999 1 282 . 1 1 22 22 U C5 C 13 101.90 0.1 . 1 . . . A 780 U C5 . 25999 1 283 . 1 1 22 22 U C5' C 13 61.46 0.1 . 1 . . . A 780 U C5' . 25999 1 284 . 1 1 22 22 U C6 C 13 138.76 0.1 . 1 . . . A 780 U C6 . 25999 1 285 . 1 1 23 23 A H1' H 1 5.91 0.03 . 1 . . . A 781 A H1' . 25999 1 286 . 1 1 23 23 A H2 H 1 7.49 0.03 . 1 . . . A 781 A H2 . 25999 1 287 . 1 1 23 23 A H2' H 1 4.75 0.03 . 1 . . . A 781 A H2' . 25999 1 288 . 1 1 23 23 A H3' H 1 4.79 0.03 . 1 . . . A 781 A H3' . 25999 1 289 . 1 1 23 23 A H4' H 1 4.72 0.03 . 1 . . . A 781 A H4' . 25999 1 290 . 1 1 23 23 A H5' H 1 4.37 0.03 . 2 . . . A 781 A H5' . 25999 1 291 . 1 1 23 23 A H5'' H 1 4.26 0.03 . 2 . . . A 781 A H5'' . 25999 1 292 . 1 1 23 23 A H8 H 1 8.20 0.03 . 1 . . . A 781 A H8 . 25999 1 293 . 1 1 23 23 A C1' C 13 86.60 0.1 . 1 . . . A 781 A C1' . 25999 1 294 . 1 1 23 23 A C2 C 13 152.55 0.1 . 1 . . . A 781 A C2 . 25999 1 295 . 1 1 23 23 A C2' C 13 72.83 0.1 . 1 . . . A 781 A C2' . 25999 1 296 . 1 1 23 23 A C3' C 13 74.31 0.1 . 1 . . . A 781 A C3' . 25999 1 297 . 1 1 23 23 A C4' C 13 81.86 0.1 . 1 . . . A 781 A C4' . 25999 1 298 . 1 1 23 23 A C5' C 13 64.78 0.1 . 1 . . . A 781 A C5' . 25999 1 299 . 1 1 23 23 A C8 C 13 138.54 0.1 . 1 . . . A 781 A C8 . 25999 1 300 . 1 1 24 24 G H1' H 1 5.77 0.03 . 1 . . . A 782 G H1' . 25999 1 301 . 1 1 24 24 G H2' H 1 4.84 0.03 . 1 . . . A 782 G H2' . 25999 1 302 . 1 1 24 24 G H3' H 1 4.51 0.03 . 1 . . . A 782 G H3' . 25999 1 303 . 1 1 24 24 G H4' H 1 4.63 0.03 . 1 . . . A 782 G H4' . 25999 1 304 . 1 1 24 24 G H5' H 1 4.41 0.03 . 2 . . . A 782 G H5' . 25999 1 305 . 1 1 24 24 G H5'' H 1 4.39 0.03 . 2 . . . A 782 G H5'' . 25999 1 306 . 1 1 24 24 G H8 H 1 7.92 0.03 . 1 . . . A 782 G H8 . 25999 1 307 . 1 1 24 24 G C1' C 13 90.28 0.1 . 1 . . . A 782 G C1' . 25999 1 308 . 1 1 24 24 G C2' C 13 72.42 0.1 . 1 . . . A 782 G C2' . 25999 1 309 . 1 1 24 24 G C3' C 13 71.91 0.1 . 1 . . . A 782 G C3' . 25999 1 310 . 1 1 24 24 G C4' C 13 80.49 0.1 . 1 . . . A 782 G C4' . 25999 1 311 . 1 1 24 24 G C5' C 13 65.90 0.1 . 1 . . . A 782 G C5' . 25999 1 312 . 1 1 24 24 G C8 C 13 135.43 0.1 . 1 . . . A 782 G C8 . 25999 1 313 . 1 1 25 25 G H1' H 1 5.82 0.03 . 1 . . . A 783 G H1' . 25999 1 314 . 1 1 25 25 G H2' H 1 4.51 0.03 . 1 . . . A 783 G H2' . 25999 1 315 . 1 1 25 25 G H5' H 1 4.22 0.03 . 2 . . . A 783 G H5' . 25999 1 316 . 1 1 25 25 G H5'' H 1 4.59 0.03 . 2 . . . A 783 G H5'' . 25999 1 317 . 1 1 25 25 G H8 H 1 7.42 0.03 . 1 . . . A 783 G H8 . 25999 1 318 . 1 1 25 25 G C1' C 13 90.42 0.1 . 1 . . . A 783 G C1' . 25999 1 319 . 1 1 25 25 G C5' C 13 62.30 0.1 . 1 . . . A 783 G C5' . 25999 1 320 . 1 1 25 25 G C8 C 13 133.77 0.1 . 1 . . . A 783 G C8 . 25999 1 321 . 1 1 26 26 C H1' H 1 5.61 0.03 . 1 . . . A 784 C H1' . 25999 1 322 . 1 1 26 26 C H4' H 1 4.48 0.03 . 1 . . . A 784 C H4' . 25999 1 323 . 1 1 26 26 C H5 H 1 5.31 0.03 . 1 . . . A 784 C H5 . 25999 1 324 . 1 1 26 26 C H6 H 1 7.73 0.03 . 1 . . . A 784 C H6 . 25999 1 325 . 1 1 26 26 C C1' C 13 91.32 0.1 . 1 . . . A 784 C C1' . 25999 1 326 . 1 1 26 26 C C4' C 13 79.30 0.1 . 1 . . . A 784 C C4' . 25999 1 327 . 1 1 26 26 C C5 C 13 94.52 0.1 . 1 . . . A 784 C C5 . 25999 1 328 . 1 1 26 26 C C6 C 13 138.42 0.1 . 1 . . . A 784 C C6 . 25999 1 329 . 1 1 27 27 C H1' H 1 5.58 0.03 . 1 . . . A 785 C H1' . 25999 1 330 . 1 1 27 27 C H2' H 1 4.33 0.03 . 1 . . . A 785 C H2' . 25999 1 331 . 1 1 27 27 C H3' H 1 4.52 0.03 . 1 . . . A 785 C H3' . 25999 1 332 . 1 1 27 27 C H5 H 1 5.59 0.03 . 1 . . . A 785 C H5 . 25999 1 333 . 1 1 27 27 C H6 H 1 7.84 0.03 . 1 . . . A 785 C H6 . 25999 1 334 . 1 1 27 27 C C1' C 13 91.80 0.1 . 1 . . . A 785 C C1' . 25999 1 335 . 1 1 27 27 C C2' C 13 72.97 0.1 . 1 . . . A 785 C C2' . 25999 1 336 . 1 1 27 27 C C5 C 13 95.21 0.1 . 1 . . . A 785 C C5 . 25999 1 337 . 1 1 27 27 C C6 C 13 138.79 0.1 . 1 . . . A 785 C C6 . 25999 1 338 . 1 1 28 28 C H1' H 1 5.81 0.03 . 1 . . . A 786 C H1' . 25999 1 339 . 1 1 28 28 C H2' H 1 4.23 0.03 . 1 . . . A 786 C H2' . 25999 1 340 . 1 1 28 28 C H3' H 1 4.05 0.03 . 1 . . . A 786 C H3' . 25999 1 341 . 1 1 28 28 C H4' H 1 4.22 0.03 . 1 . . . A 786 C H4' . 25999 1 342 . 1 1 28 28 C H5 H 1 5.59 0.03 . 1 . . . A 786 C H5 . 25999 1 343 . 1 1 28 28 C H5' H 1 4.53 0.03 . 2 . . . A 786 C H5' . 25999 1 344 . 1 1 28 28 C H5'' H 1 4.08 0.03 . 2 . . . A 786 C H5'' . 25999 1 345 . 1 1 28 28 C H6 H 1 7.74 0.03 . 1 . . . A 786 C H6 . 25999 1 346 . 1 1 28 28 C C1' C 13 90.21 0.1 . 1 . . . A 786 C C1' . 25999 1 347 . 1 1 28 28 C C2' C 13 67.18 0.1 . 1 . . . A 786 C C2' . 25999 1 348 . 1 1 28 28 C C3' C 13 74.91 0.1 . 1 . . . A 786 C C3' . 25999 1 349 . 1 1 28 28 C C4' C 13 80.92 0.1 . 1 . . . A 786 C C4' . 25999 1 350 . 1 1 28 28 C C5 C 13 95.50 0.1 . 1 . . . A 786 C C5 . 25999 1 351 . 1 1 28 28 C C5' C 13 62.58 0.1 . 1 . . . A 786 C C5' . 25999 1 352 . 1 1 28 28 C C6 C 13 139.25 0.1 . 1 . . . A 786 C C6 . 25999 1 stop_ save_