data_6076 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6076 _Entry.Title ; Loop B RNAs from the Stem-Loop IV domain of the Enterovirus Internal Ribosome Entry Site with a Six-nucleotide Bulge AUCCCU ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-13 _Entry.Accession_date 2004-01-14 _Entry.Last_release_date 2004-06-30 _Entry.Original_release_date 2004-06-30 _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 Z. Du . . . 6076 2 N. Ulyanov . B. . 6076 3 J. Yu . . . 6076 4 T. James . L. . 6076 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6076 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 226 6076 '15N chemical shifts' 34 6076 '1H chemical shifts' 406 6076 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-06-30 2004-01-13 original author . 6076 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6077 'Mutant at residue 10, U replace C' 6076 PDB 1R7W 'BMRB Entry Tracking System' 6076 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6076 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15134450 _Citation.Full_citation . _Citation.Title ; NMR Structures of Loop B RNAs from the Stem-Loop IV Domain of the Enterovirus Internal Ribosome Entry Site: A Single C to U Substitution Drastically Changes the Shape and Flexibility of RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 19 _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 5757 _Citation.Page_last 5771 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Z. Du . . . 6076 1 2 N. Ulyanov . B. . 6076 1 3 J. Yu . . . 6076 1 4 R. Andino . . . 6076 1 5 T. James . L. . 6076 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GUGA TETRALOOP' 6076 1 'SIX-NUCLEOTIDE BULGE' 6076 1 'STEM-AND-LOOP STRUCTURE' 6076 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_stem-loop_RNA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_stem-loop_RNA _Assembly.Entry_ID 6076 _Assembly.ID 1 _Assembly.Name 'stem-loop RNA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6076 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 'stem-loop RNA, WT34' 1 $stem-loop_RNA . . . native . . . . . 6076 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 1R7W . . . . . . 6076 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'stem-loop RNA' abbreviation 6076 1 'stem-loop RNA' system 6076 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_stem-loop_RNA _Entity.Sf_category entity _Entity.Sf_framecode stem-loop_RNA _Entity.Entry_ID 6076 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' _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 ; GGAGGACAUCCCUCACGGGU GACCGUGGUCCUCC ; _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 34 _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 'AUCCCU bulge' variant 6076 1 'RNA FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' common 6076 1 'stem-loop RNA' abbreviation 6076 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 . 6076 1 2 . G . 6076 1 3 . A . 6076 1 4 . G . 6076 1 5 . G . 6076 1 6 . A . 6076 1 7 . C . 6076 1 8 . A . 6076 1 9 . U . 6076 1 10 . C . 6076 1 11 . C . 6076 1 12 . C . 6076 1 13 . U . 6076 1 14 . C . 6076 1 15 . A . 6076 1 16 . C . 6076 1 17 . G . 6076 1 18 . G . 6076 1 19 . G . 6076 1 20 . U . 6076 1 21 . G . 6076 1 22 . A . 6076 1 23 . C . 6076 1 24 . C . 6076 1 25 . G . 6076 1 26 . U . 6076 1 27 . G . 6076 1 28 . G . 6076 1 29 . U . 6076 1 30 . C . 6076 1 31 . C . 6076 1 32 . U . 6076 1 33 . C . 6076 1 34 . C . 6076 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 6076 1 . G 2 2 6076 1 . A 3 3 6076 1 . G 4 4 6076 1 . G 5 5 6076 1 . A 6 6 6076 1 . C 7 7 6076 1 . A 8 8 6076 1 . U 9 9 6076 1 . C 10 10 6076 1 . C 11 11 6076 1 . C 12 12 6076 1 . U 13 13 6076 1 . C 14 14 6076 1 . A 15 15 6076 1 . C 16 16 6076 1 . G 17 17 6076 1 . G 18 18 6076 1 . G 19 19 6076 1 . U 20 20 6076 1 . G 21 21 6076 1 . A 22 22 6076 1 . C 23 23 6076 1 . C 24 24 6076 1 . G 25 25 6076 1 . U 26 26 6076 1 . G 27 27 6076 1 . G 28 28 6076 1 . U 29 29 6076 1 . C 30 30 6076 1 . C 31 31 6076 1 . U 32 32 6076 1 . C 33 33 6076 1 . C 34 34 6076 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 6076 _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 $stem-loop_RNA . 138953 . . 'Enterovirus poliovirus' 'Enterovirus poliovirus' . . Viruses . Enterovirus poliovirus . . . . . . . . . . . . . . . . . . . . . 6076 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 6076 _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 $stem-loop_RNA . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'RNA was in vitro transcribed with T7 RNA-polymerase.' . . 6076 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6076 _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 FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' . . . 1 $stem-loop_RNA . . . 1.0 2.0 mM . . . . 6076 1 2 NaCl . . . . . . . 25 . . mM . . . . 6076 1 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6076 1 4 H2O . . . . . . . 90 . . % . . . . 6076 1 5 D2O . . . . . . . 10 . . % . . . . 6076 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6076 _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 FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' . . . 1 $stem-loop_RNA . . . 1.0 2.0 mM . . . . 6076 2 2 NaCl . . . . . . . 25 . . mM . . . . 6076 2 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6076 2 4 D2O . . . . . . . 100 . . % . . . . 6076 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6076 _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 FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' '[U-13C; U-15N]' . . 1 $stem-loop_RNA . . . 1.0 2.0 mM . . . . 6076 3 2 NaCl . . . . . . . 25 . . mM . . . . 6076 3 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6076 3 4 D2O . . . . . . . 100 . . % . . . . 6076 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6076 _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 FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' '[U-13C; U-15N]-A, U' . . 1 $stem-loop_RNA . . . 1.0 2.0 mM . . . . 6076 4 2 NaCl . . . . . . . 25 . . mM . . . . 6076 4 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6076 4 4 D2O . . . . . . . 100 . . % . . . . 6076 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 6076 _Sample.ID 5 _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 FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' '[U-13C; U-15N]-C' . . 1 $stem-loop_RNA . . . 1.0 2.0 mM . . . . 6076 5 2 NaCl . . . . . . . 25 . . mM . . . . 6076 5 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6076 5 4 D2O . . . . . . . 100 . . % . . . . 6076 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 6076 _Sample.ID 6 _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 FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' '[U-13C; U-15N]' . . 1 $stem-loop_RNA . . . 1.0 2.0 mM . . . . 6076 6 2 NaCl . . . . . . . 25 . . mM . . . . 6076 6 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6076 6 4 D2O . . . . . . . 100 . . % . . . . 6076 6 5 'C12E6/N-HEXANOL MIXTURE (MOLAR RATIO 0.64)' . . . . . . . 5 . . % . . . . 6076 6 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 6076 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 6076 1 pH 6.5 . n/a 6076 1 pressure 1 . atm 6076 1 temperature 298 . K 6076 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 6076 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 6076 2 pH* 6.5 . n/a 6076 2 pressure 1 . atm 6076 2 temperature 283 . K 6076 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6076 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details 'Varian Associates, Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6076 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6076 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details F.Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6076 2 stop_ save_ save_MARDIGRAS _Software.Sf_category software _Software.Sf_framecode MARDIGRAS _Software.Entry_ID 6076 _Software.ID 3 _Software.Name MARDIGRAS _Software.Version 3.2 _Software.Details T.L.James loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'iterative matrix relaxation' 6076 3 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6076 _Software.ID 4 _Software.Name DYANA _Software.Version 1.5 _Software.Details P.Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6076 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6076 _Software.ID 5 _Software.Name AMBER _Software.Version 7 _Software.Details D.A.Case loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6076 5 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 6076 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6076 _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 INOVA . 600 . . . 6076 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 6076 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6076 1 2 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6076 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6076 1 4 '1H-13C CONSTANT TIME HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6076 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 6076 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6076 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 6076 _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 6076 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C CONSTANT TIME 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 6076 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6076 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6076 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6076 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 6076 _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 . . 2 $sample_2 . 6076 1 . . 3 $sample_3 . 6076 1 . . 4 $sample_4 . 6076 1 . . 5 $sample_5 . 6076 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G C1' C 13 92.246 0.146 . 1 . . . . . . . . 6076 1 2 . 1 1 1 1 G C2' C 13 75.552 0.120 . 1 . . . . . . . . 6076 1 3 . 1 1 1 1 G C3' C 13 74.964 0.120 . 1 . . . . . . . . 6076 1 4 . 1 1 1 1 G C4' C 13 83.718 0.120 . 1 . . . . . . . . 6076 1 5 . 1 1 1 1 G C5' C 13 67.345 0.120 . 1 . . . . . . . . 6076 1 6 . 1 1 1 1 G C8 C 13 139.207 0.120 . 1 . . . . . . . . 6076 1 7 . 1 1 1 1 G H1' H 1 5.853 0.006 . 1 . . . . . . . . 6076 1 8 . 1 1 1 1 G H2' H 1 4.956 0.008 . 1 . . . . . . . . 6076 1 9 . 1 1 1 1 G H3' H 1 4.720 0.006 . 1 . . . . . . . . 6076 1 10 . 1 1 1 1 G H4' H 1 4.575 0.009 . 1 . . . . . . . . 6076 1 11 . 1 1 1 1 G H5'' H 1 4.280 0.013 . 1 . . . . . . . . 6076 1 12 . 1 1 1 1 G H5' H 1 4.417 0.005 . 1 . . . . . . . . 6076 1 13 . 1 1 1 1 G H8 H 1 8.161 0.006 . 1 . . . . . . . . 6076 1 14 . 1 1 1 1 G N9 N 15 169.117 0.150 . 1 . . . . . . . . 6076 1 15 . 1 1 2 2 G C1' C 13 93.267 0.120 . 1 . . . . . . . . 6076 1 16 . 1 1 2 2 G C2' C 13 75.823 0.120 . 1 . . . . . . . . 6076 1 17 . 1 1 2 2 G C3' C 13 73.311 0.120 . 1 . . . . . . . . 6076 1 18 . 1 1 2 2 G C4' C 13 82.799 0.120 . 1 . . . . . . . . 6076 1 19 . 1 1 2 2 G C5' C 13 66.200 0.200 . 1 . . . . . . . . 6076 1 20 . 1 1 2 2 G C8 C 13 136.992 0.120 . 1 . . . . . . . . 6076 1 21 . 1 1 2 2 G H1' H 1 5.923 0.006 . 1 . . . . . . . . 6076 1 22 . 1 1 2 2 G H2' H 1 4.670 0.009 . 1 . . . . . . . . 6076 1 23 . 1 1 2 2 G H3' H 1 4.620 0.011 . 1 . . . . . . . . 6076 1 24 . 1 1 2 2 G H4' H 1 4.576 0.010 . 1 . . . . . . . . 6076 1 25 . 1 1 2 2 G H5'' H 1 4.519 0.005 . 1 . . . . . . . . 6076 1 26 . 1 1 2 2 G H5' H 1 4.245 0.012 . 1 . . . . . . . . 6076 1 27 . 1 1 2 2 G H8 H 1 7.530 0.018 . 1 . . . . . . . . 6076 1 28 . 1 1 2 2 G N9 N 15 169.586 0.150 . 1 . . . . . . . . 6076 1 29 . 1 1 3 3 A C1' C 13 93.240 0.120 . 1 . . . . . . . . 6076 1 30 . 1 1 3 3 A C2 C 13 153.454 0.120 . 1 . . . . . . . . 6076 1 31 . 1 1 3 3 A C2' C 13 76.173 0.120 . 1 . . . . . . . . 6076 1 32 . 1 1 3 3 A C3' C 13 73.320 0.120 . 1 . . . . . . . . 6076 1 33 . 1 1 3 3 A C4' C 13 82.000 0.200 . 1 . . . . . . . . 6076 1 34 . 1 1 3 3 A C5' C 13 65.000 0.200 . 1 . . . . . . . . 6076 1 35 . 1 1 3 3 A C8 C 13 139.330 0.120 . 1 . . . . . . . . 6076 1 36 . 1 1 3 3 A H1' H 1 6.006 0.005 . 1 . . . . . . . . 6076 1 37 . 1 1 3 3 A H2 H 1 7.475 0.004 . 1 . . . . . . . . 6076 1 38 . 1 1 3 3 A H2' H 1 4.690 0.006 . 1 . . . . . . . . 6076 1 39 . 1 1 3 3 A H3' H 1 4.640 0.005 . 1 . . . . . . . . 6076 1 40 . 1 1 3 3 A H4' H 1 4.526 0.005 . 1 . . . . . . . . 6076 1 41 . 1 1 3 3 A H5'' H 1 4.630 0.020 . 1 . . . . . . . . 6076 1 42 . 1 1 3 3 A H5' H 1 4.180 0.020 . 1 . . . . . . . . 6076 1 43 . 1 1 3 3 A H8 H 1 7.763 0.005 . 1 . . . . . . . . 6076 1 44 . 1 1 3 3 A N9 N 15 170.779 0.150 . 1 . . . . . . . . 6076 1 45 . 1 1 4 4 G C1' C 13 92.826 0.120 . 1 . . . . . . . . 6076 1 46 . 1 1 4 4 G C2' C 13 75.989 0.120 . 1 . . . . . . . . 6076 1 47 . 1 1 4 4 G C3' C 13 73.520 0.120 . 1 . . . . . . . . 6076 1 48 . 1 1 4 4 G C4' C 13 82.364 0.120 . 1 . . . . . . . . 6076 1 49 . 1 1 4 4 G C5' C 13 65.986 0.120 . 1 . . . . . . . . 6076 1 50 . 1 1 4 4 G C8 C 13 135.826 0.120 . 1 . . . . . . . . 6076 1 51 . 1 1 4 4 G H1' H 1 5.631 0.006 . 1 . . . . . . . . 6076 1 52 . 1 1 4 4 G H2' H 1 4.550 0.006 . 1 . . . . . . . . 6076 1 53 . 1 1 4 4 G H3' H 1 4.403 0.014 . 1 . . . . . . . . 6076 1 54 . 1 1 4 4 G H4' H 1 4.461 0.007 . 1 . . . . . . . . 6076 1 55 . 1 1 4 4 G H5'' H 1 4.439 0.006 . 1 . . . . . . . . 6076 1 56 . 1 1 4 4 G H5' H 1 4.056 0.005 . 1 . . . . . . . . 6076 1 57 . 1 1 4 4 G H8 H 1 7.069 0.005 . 1 . . . . . . . . 6076 1 58 . 1 1 4 4 G N9 N 15 169.300 0.150 . 1 . . . . . . . . 6076 1 59 . 1 1 5 5 G C1' C 13 93.210 0.120 . 1 . . . . . . . . 6076 1 60 . 1 1 5 5 G C2' C 13 75.852 0.120 . 1 . . . . . . . . 6076 1 61 . 1 1 5 5 G C3' C 13 73.365 0.120 . 1 . . . . . . . . 6076 1 62 . 1 1 5 5 G C4' C 13 82.299 0.120 . 1 . . . . . . . . 6076 1 63 . 1 1 5 5 G C5' C 13 65.800 0.200 . 1 . . . . . . . . 6076 1 64 . 1 1 5 5 G C8 C 13 136.336 0.097 . 1 . . . . . . . . 6076 1 65 . 1 1 5 5 G H1' H 1 5.712 0.008 . 1 . . . . . . . . 6076 1 66 . 1 1 5 5 G H2' H 1 4.546 0.006 . 1 . . . . . . . . 6076 1 67 . 1 1 5 5 G H3' H 1 4.485 0.006 . 1 . . . . . . . . 6076 1 68 . 1 1 5 5 G H4' H 1 4.483 0.011 . 1 . . . . . . . . 6076 1 69 . 1 1 5 5 G H5'' H 1 4.462 0.016 . 1 . . . . . . . . 6076 1 70 . 1 1 5 5 G H5' H 1 4.064 0.011 . 1 . . . . . . . . 6076 1 71 . 1 1 5 5 G H8 H 1 7.158 0.004 . 1 . . . . . . . . 6076 1 72 . 1 1 5 5 G N9 N 15 169.076 0.150 . 1 . . . . . . . . 6076 1 73 . 1 1 6 6 A C1' C 13 93.096 0.120 . 1 . . . . . . . . 6076 1 74 . 1 1 6 6 A C2 C 13 154.240 0.120 . 1 . . . . . . . . 6076 1 75 . 1 1 6 6 A C2' C 13 76.029 0.120 . 1 . . . . . . . . 6076 1 76 . 1 1 6 6 A C4' C 13 82.000 0.200 . 1 . . . . . . . . 6076 1 77 . 1 1 6 6 A C5' C 13 64.800 0.200 . 1 . . . . . . . . 6076 1 78 . 1 1 6 6 A C8 C 13 139.398 0.120 . 1 . . . . . . . . 6076 1 79 . 1 1 6 6 A H1' H 1 5.992 0.005 . 1 . . . . . . . . 6076 1 80 . 1 1 6 6 A H2 H 1 7.817 0.005 . 1 . . . . . . . . 6076 1 81 . 1 1 6 6 A H2' H 1 4.586 0.005 . 1 . . . . . . . . 6076 1 82 . 1 1 6 6 A H3' H 1 4.576 0.010 . 1 . . . . . . . . 6076 1 83 . 1 1 6 6 A H4' H 1 4.486 0.005 . 1 . . . . . . . . 6076 1 84 . 1 1 6 6 A H5'' H 1 4.600 0.020 . 1 . . . . . . . . 6076 1 85 . 1 1 6 6 A H5' H 1 4.170 0.020 . 1 . . . . . . . . 6076 1 86 . 1 1 6 6 A H8 H 1 7.813 0.006 . 1 . . . . . . . . 6076 1 87 . 1 1 6 6 A N9 N 15 170.980 0.150 . 1 . . . . . . . . 6076 1 88 . 1 1 7 7 C C1' C 13 93.919 0.042 . 1 . . . . . . . . 6076 1 89 . 1 1 7 7 C C2' C 13 75.933 0.120 . 1 . . . . . . . . 6076 1 90 . 1 1 7 7 C C3' C 13 73.002 0.088 . 1 . . . . . . . . 6076 1 91 . 1 1 7 7 C C4' C 13 82.258 0.120 . 1 . . . . . . . . 6076 1 92 . 1 1 7 7 C C5' C 13 65.400 0.200 . 1 . . . . . . . . 6076 1 93 . 1 1 7 7 C C5 C 13 97.854 0.120 . 1 . . . . . . . . 6076 1 94 . 1 1 7 7 C C6 C 13 140.083 0.109 . 1 . . . . . . . . 6076 1 95 . 1 1 7 7 C H1' H 1 5.328 0.005 . 1 . . . . . . . . 6076 1 96 . 1 1 7 7 C H2' H 1 4.454 0.010 . 1 . . . . . . . . 6076 1 97 . 1 1 7 7 C H3' H 1 4.280 0.007 . 1 . . . . . . . . 6076 1 98 . 1 1 7 7 C H4' H 1 4.392 0.005 . 1 . . . . . . . . 6076 1 99 . 1 1 7 7 C H5 H 1 5.187 0.005 . 1 . . . . . . . . 6076 1 100 . 1 1 7 7 C H5'' H 1 4.432 0.005 . 1 . . . . . . . . 6076 1 101 . 1 1 7 7 C H5' H 1 4.035 0.013 . 1 . . . . . . . . 6076 1 102 . 1 1 7 7 C H6 H 1 7.252 0.005 . 1 . . . . . . . . 6076 1 103 . 1 1 7 7 C N1 N 15 150.382 0.150 . 1 . . . . . . . . 6076 1 104 . 1 1 8 8 A C1' C 13 93.443 0.032 . 1 . . . . . . . . 6076 1 105 . 1 1 8 8 A C2 C 13 154.285 0.120 . 1 . . . . . . . . 6076 1 106 . 1 1 8 8 A C2' C 13 75.986 0.120 . 1 . . . . . . . . 6076 1 107 . 1 1 8 8 A C3' C 13 73.529 0.034 . 1 . . . . . . . . 6076 1 108 . 1 1 8 8 A C4' C 13 82.974 0.069 . 1 . . . . . . . . 6076 1 109 . 1 1 8 8 A C5' C 13 66.367 0.120 . 1 . . . . . . . . 6076 1 110 . 1 1 8 8 A C8 C 13 139.730 0.061 . 1 . . . . . . . . 6076 1 111 . 1 1 8 8 A H1' H 1 5.898 0.004 . 1 . . . . . . . . 6076 1 112 . 1 1 8 8 A H2 H 1 7.237 0.004 . 1 . . . . . . . . 6076 1 113 . 1 1 8 8 A H2' H 1 4.329 0.007 . 1 . . . . . . . . 6076 1 114 . 1 1 8 8 A H3' H 1 4.396 0.009 . 1 . . . . . . . . 6076 1 115 . 1 1 8 8 A H4' H 1 4.403 0.007 . 1 . . . . . . . . 6076 1 116 . 1 1 8 8 A H5'' H 1 4.424 0.005 . 1 . . . . . . . . 6076 1 117 . 1 1 8 8 A H5' H 1 4.041 0.007 . 1 . . . . . . . . 6076 1 118 . 1 1 8 8 A H8 H 1 7.867 0.006 . 1 . . . . . . . . 6076 1 119 . 1 1 8 8 A N9 N 15 170.545 0.150 . 1 . . . . . . . . 6076 1 120 . 1 1 9 9 U C1' C 13 91.697 0.120 . 1 . . . . . . . . 6076 1 121 . 1 1 9 9 U C2' C 13 76.191 0.044 . 1 . . . . . . . . 6076 1 122 . 1 1 9 9 U C3' C 13 75.269 0.120 . 1 . . . . . . . . 6076 1 123 . 1 1 9 9 U C4' C 13 84.244 0.065 . 1 . . . . . . . . 6076 1 124 . 1 1 9 9 U C5 C 13 104.320 0.120 . 1 . . . . . . . . 6076 1 125 . 1 1 9 9 U C5' C 13 66.230 0.120 . 1 . . . . . . . . 6076 1 126 . 1 1 9 9 U C6 C 13 141.552 0.143 . 1 . . . . . . . . 6076 1 127 . 1 1 9 9 U H1' H 1 5.409 0.005 . 1 . . . . . . . . 6076 1 128 . 1 1 9 9 U H2' H 1 4.031 0.007 . 1 . . . . . . . . 6076 1 129 . 1 1 9 9 U H3' H 1 4.344 0.006 . 1 . . . . . . . . 6076 1 130 . 1 1 9 9 U H4' H 1 4.238 0.007 . 1 . . . . . . . . 6076 1 131 . 1 1 9 9 U H5 H 1 5.234 0.004 . 1 . . . . . . . . 6076 1 132 . 1 1 9 9 U H5'' H 1 4.250 0.009 . 1 . . . . . . . . 6076 1 133 . 1 1 9 9 U H5' H 1 3.945 0.005 . 1 . . . . . . . . 6076 1 134 . 1 1 9 9 U H6 H 1 7.356 0.005 . 1 . . . . . . . . 6076 1 135 . 1 1 9 9 U N1 N 15 144.404 0.150 . 1 . . . . . . . . 6076 1 136 . 1 1 10 10 C C1' C 13 93.052 0.120 . 1 . . . . . . . . 6076 1 137 . 1 1 10 10 C C2' C 13 76.143 0.120 . 1 . . . . . . . . 6076 1 138 . 1 1 10 10 C C3' C 13 74.933 0.120 . 1 . . . . . . . . 6076 1 139 . 1 1 10 10 C C4' C 13 83.878 0.086 . 1 . . . . . . . . 6076 1 140 . 1 1 10 10 C C5 C 13 98.924 0.137 . 1 . . . . . . . . 6076 1 141 . 1 1 10 10 C C5' C 13 66.918 0.054 . 1 . . . . . . . . 6076 1 142 . 1 1 10 10 C C6 C 13 143.088 0.120 . 1 . . . . . . . . 6076 1 143 . 1 1 10 10 C H1' H 1 5.699 0.005 . 1 . . . . . . . . 6076 1 144 . 1 1 10 10 C H2' H 1 4.334 0.009 . 1 . . . . . . . . 6076 1 145 . 1 1 10 10 C H3' H 1 4.353 0.009 . 1 . . . . . . . . 6076 1 146 . 1 1 10 10 C H4' H 1 4.291 0.006 . 1 . . . . . . . . 6076 1 147 . 1 1 10 10 C H5 H 1 5.777 0.009 . 1 . . . . . . . . 6076 1 148 . 1 1 10 10 C H5'' H 1 4.182 0.023 . 1 . . . . . . . . 6076 1 149 . 1 1 10 10 C H5' H 1 3.974 0.007 . 1 . . . . . . . . 6076 1 150 . 1 1 10 10 C H6 H 1 7.726 0.007 . 1 . . . . . . . . 6076 1 151 . 1 1 10 10 C N1 N 15 152.151 0.150 . 1 . . . . . . . . 6076 1 152 . 1 1 11 11 C C1' C 13 93.254 0.120 . 1 . . . . . . . . 6076 1 153 . 1 1 11 11 C C2' C 13 76.277 0.120 . 1 . . . . . . . . 6076 1 154 . 1 1 11 11 C C3' C 13 74.387 0.120 . 1 . . . . . . . . 6076 1 155 . 1 1 11 11 C C4' C 13 83.441 0.120 . 1 . . . . . . . . 6076 1 156 . 1 1 11 11 C C5 C 13 98.883 0.120 . 1 . . . . . . . . 6076 1 157 . 1 1 11 11 C C5' C 13 66.349 0.035 . 1 . . . . . . . . 6076 1 158 . 1 1 11 11 C C6 C 13 142.609 0.120 . 1 . . . . . . . . 6076 1 159 . 1 1 11 11 C H1' H 1 5.690 0.006 . 1 . . . . . . . . 6076 1 160 . 1 1 11 11 C H2' H 1 4.365 0.008 . 1 . . . . . . . . 6076 1 161 . 1 1 11 11 C H3' H 1 4.408 0.007 . 1 . . . . . . . . 6076 1 162 . 1 1 11 11 C H4' H 1 4.325 0.016 . 1 . . . . . . . . 6076 1 163 . 1 1 11 11 C H5 H 1 5.807 0.004 . 1 . . . . . . . . 6076 1 164 . 1 1 11 11 C H5'' H 1 4.258 0.005 . 1 . . . . . . . . 6076 1 165 . 1 1 11 11 C H5' H 1 4.059 0.006 . 1 . . . . . . . . 6076 1 166 . 1 1 11 11 C H6 H 1 7.761 0.008 . 1 . . . . . . . . 6076 1 167 . 1 1 11 11 C N1 N 15 152.473 0.150 . 1 . . . . . . . . 6076 1 168 . 1 1 12 12 C C1' C 13 92.659 0.120 . 1 . . . . . . . . 6076 1 169 . 1 1 12 12 C C2' C 13 76.597 0.120 . 1 . . . . . . . . 6076 1 170 . 1 1 12 12 C C3' C 13 75.200 0.120 . 1 . . . . . . . . 6076 1 171 . 1 1 12 12 C C4' C 13 83.886 0.120 . 1 . . . . . . . . 6076 1 172 . 1 1 12 12 C C5' C 13 64.700 0.200 . 1 . . . . . . . . 6076 1 173 . 1 1 12 12 C C5 C 13 98.639 0.120 . 1 . . . . . . . . 6076 1 174 . 1 1 12 12 C C6 C 13 142.466 0.120 . 1 . . . . . . . . 6076 1 175 . 1 1 12 12 C H1' H 1 5.674 0.005 . 1 . . . . . . . . 6076 1 176 . 1 1 12 12 C H2' H 1 4.308 0.008 . 1 . . . . . . . . 6076 1 177 . 1 1 12 12 C H3' H 1 4.450 0.006 . 1 . . . . . . . . 6076 1 178 . 1 1 12 12 C H4' H 1 4.292 0.008 . 1 . . . . . . . . 6076 1 179 . 1 1 12 12 C H5 H 1 5.791 0.007 . 1 . . . . . . . . 6076 1 180 . 1 1 12 12 C H5'' H 1 4.247 0.030 . 1 . . . . . . . . 6076 1 181 . 1 1 12 12 C H5' H 1 4.077 0.005 . 1 . . . . . . . . 6076 1 182 . 1 1 12 12 C H6 H 1 7.732 0.005 . 1 . . . . . . . . 6076 1 183 . 1 1 12 12 C N1 N 15 152.253 0.150 . 1 . . . . . . . . 6076 1 184 . 1 1 13 13 U C1' C 13 92.545 0.120 . 1 . . . . . . . . 6076 1 185 . 1 1 13 13 U C2' C 13 75.865 0.120 . 1 . . . . . . . . 6076 1 186 . 1 1 13 13 U C3' C 13 75.272 0.120 . 1 . . . . . . . . 6076 1 187 . 1 1 13 13 U C4' C 13 84.101 0.061 . 1 . . . . . . . . 6076 1 188 . 1 1 13 13 U C5 C 13 105.243 0.120 . 1 . . . . . . . . 6076 1 189 . 1 1 13 13 U C5' C 13 66.844 0.078 . 1 . . . . . . . . 6076 1 190 . 1 1 13 13 U C6 C 13 142.646 0.120 . 1 . . . . . . . . 6076 1 191 . 1 1 13 13 U H1' H 1 5.780 0.008 . 1 . . . . . . . . 6076 1 192 . 1 1 13 13 U H2' H 1 4.463 0.006 . 1 . . . . . . . . 6076 1 193 . 1 1 13 13 U H3' H 1 4.439 0.009 . 1 . . . . . . . . 6076 1 194 . 1 1 13 13 U H4' H 1 4.509 0.004 . 1 . . . . . . . . 6076 1 195 . 1 1 13 13 U H5 H 1 5.789 0.006 . 1 . . . . . . . . 6076 1 196 . 1 1 13 13 U H5'' H 1 4.347 0.009 . 1 . . . . . . . . 6076 1 197 . 1 1 13 13 U H5' H 1 4.123 0.008 . 1 . . . . . . . . 6076 1 198 . 1 1 13 13 U H6 H 1 7.850 0.005 . 1 . . . . . . . . 6076 1 199 . 1 1 13 13 U N1 N 15 144.994 0.150 . 1 . . . . . . . . 6076 1 200 . 1 1 14 14 C C1' C 13 94.198 0.120 . 1 . . . . . . . . 6076 1 201 . 1 1 14 14 C C2' C 13 75.602 0.120 . 1 . . . . . . . . 6076 1 202 . 1 1 14 14 C C3' C 13 73.217 0.120 . 1 . . . . . . . . 6076 1 203 . 1 1 14 14 C C4' C 13 82.100 0.200 . 1 . . . . . . . . 6076 1 204 . 1 1 14 14 C C5' C 13 65.400 0.200 . 1 . . . . . . . . 6076 1 205 . 1 1 14 14 C C5 C 13 99.279 0.120 . 1 . . . . . . . . 6076 1 206 . 1 1 14 14 C C6 C 13 141.993 0.120 . 1 . . . . . . . . 6076 1 207 . 1 1 14 14 C H1' H 1 5.569 0.005 . 1 . . . . . . . . 6076 1 208 . 1 1 14 14 C H2' H 1 4.533 0.005 . 1 . . . . . . . . 6076 1 209 . 1 1 14 14 C H3' H 1 4.711 0.007 . 1 . . . . . . . . 6076 1 210 . 1 1 14 14 C H4' H 1 4.475 0.005 . 1 . . . . . . . . 6076 1 211 . 1 1 14 14 C H5'' H 1 4.540 0.020 . 1 . . . . . . . . 6076 1 212 . 1 1 14 14 C H5' H 1 4.150 0.020 . 1 . . . . . . . . 6076 1 213 . 1 1 14 14 C H5 H 1 6.038 0.004 . 1 . . . . . . . . 6076 1 214 . 1 1 14 14 C H6 H 1 8.120 0.006 . 1 . . . . . . . . 6076 1 215 . 1 1 14 14 C N1 N 15 151.736 0.150 . 1 . . . . . . . . 6076 1 216 . 1 1 15 15 A C1' C 13 93.151 0.120 . 1 . . . . . . . . 6076 1 217 . 1 1 15 15 A C2 C 13 153.753 0.120 . 1 . . . . . . . . 6076 1 218 . 1 1 15 15 A C2' C 13 76.078 0.120 . 1 . . . . . . . . 6076 1 219 . 1 1 15 15 A C3' C 13 72.917 0.120 . 1 . . . . . . . . 6076 1 220 . 1 1 15 15 A C4' C 13 82.331 0.120 . 1 . . . . . . . . 6076 1 221 . 1 1 15 15 A C5' C 13 65.000 0.200 . 1 . . . . . . . . 6076 1 222 . 1 1 15 15 A C8 C 13 139.965 0.120 . 1 . . . . . . . . 6076 1 223 . 1 1 15 15 A H1' H 1 6.056 0.004 . 1 . . . . . . . . 6076 1 224 . 1 1 15 15 A H2 H 1 7.627 0.004 . 1 . . . . . . . . 6076 1 225 . 1 1 15 15 A H2' H 1 4.560 0.007 . 1 . . . . . . . . 6076 1 226 . 1 1 15 15 A H3' H 1 4.843 0.007 . 1 . . . . . . . . 6076 1 227 . 1 1 15 15 A H4' H 1 4.554 0.009 . 1 . . . . . . . . 6076 1 228 . 1 1 15 15 A H5'' H 1 4.640 0.005 . 1 . . . . . . . . 6076 1 229 . 1 1 15 15 A H5' H 1 4.241 0.005 . 1 . . . . . . . . 6076 1 230 . 1 1 15 15 A H8 H 1 8.317 0.005 . 1 . . . . . . . . 6076 1 231 . 1 1 15 15 A N9 N 15 171.404 0.150 . 1 . . . . . . . . 6076 1 232 . 1 1 16 16 C C1' C 13 93.477 0.120 . 1 . . . . . . . . 6076 1 233 . 1 1 16 16 C C2' C 13 76.011 0.120 . 1 . . . . . . . . 6076 1 234 . 1 1 16 16 C C3' C 13 72.400 0.200 . 1 . . . . . . . . 6076 1 235 . 1 1 16 16 C C4' C 13 82.100 0.200 . 1 . . . . . . . . 6076 1 236 . 1 1 16 16 C C5' C 13 64.800 0.200 . 1 . . . . . . . . 6076 1 237 . 1 1 16 16 C C5 C 13 97.878 0.120 . 1 . . . . . . . . 6076 1 238 . 1 1 16 16 C C6 C 13 140.425 0.120 . 1 . . . . . . . . 6076 1 239 . 1 1 16 16 C H1' H 1 5.526 0.006 . 1 . . . . . . . . 6076 1 240 . 1 1 16 16 C H2' H 1 4.385 0.005 . 1 . . . . . . . . 6076 1 241 . 1 1 16 16 C H3' H 1 4.420 0.005 . 1 . . . . . . . . 6076 1 242 . 1 1 16 16 C H4' H 1 4.450 0.005 . 1 . . . . . . . . 6076 1 243 . 1 1 16 16 C H5'' H 1 4.470 0.020 . 1 . . . . . . . . 6076 1 244 . 1 1 16 16 C H5' H 1 4.060 0.010 . 1 . . . . . . . . 6076 1 245 . 1 1 16 16 C H5 H 1 5.317 0.005 . 1 . . . . . . . . 6076 1 246 . 1 1 16 16 C H6 H 1 7.637 0.007 . 1 . . . . . . . . 6076 1 247 . 1 1 16 16 C N1 N 15 150.654 0.150 . 1 . . . . . . . . 6076 1 248 . 1 1 17 17 G C1' C 13 92.945 0.120 . 1 . . . . . . . . 6076 1 249 . 1 1 17 17 G C2' C 13 75.973 0.120 . 1 . . . . . . . . 6076 1 250 . 1 1 17 17 G C3' C 13 72.794 0.120 . 1 . . . . . . . . 6076 1 251 . 1 1 17 17 G C4' C 13 82.000 0.200 . 1 . . . . . . . . 6076 1 252 . 1 1 17 17 G C5' C 13 65.400 0.200 . 1 . . . . . . . . 6076 1 253 . 1 1 17 17 G C8 C 13 136.012 0.120 . 1 . . . . . . . . 6076 1 254 . 1 1 17 17 G H1' H 1 5.761 0.005 . 1 . . . . . . . . 6076 1 255 . 1 1 17 17 G H2' H 1 4.498 0.007 . 1 . . . . . . . . 6076 1 256 . 1 1 17 17 G H3' H 1 4.635 0.006 . 1 . . . . . . . . 6076 1 257 . 1 1 17 17 G H4' H 1 4.389 0.005 . 1 . . . . . . . . 6076 1 258 . 1 1 17 17 G H5'' H 1 4.532 0.005 . 1 . . . . . . . . 6076 1 259 . 1 1 17 17 G H5' H 1 4.134 0.005 . 1 . . . . . . . . 6076 1 260 . 1 1 17 17 G H8 H 1 7.534 0.005 . 1 . . . . . . . . 6076 1 261 . 1 1 17 17 G N9 N 15 169.347 0.150 . 1 . . . . . . . . 6076 1 262 . 1 1 18 18 G C1' C 13 93.015 0.120 . 1 . . . . . . . . 6076 1 263 . 1 1 18 18 G C2' C 13 76.068 0.120 . 1 . . . . . . . . 6076 1 264 . 1 1 18 18 G C3' C 13 72.300 0.200 . 1 . . . . . . . . 6076 1 265 . 1 1 18 18 G C4' C 13 83.700 0.200 . 1 . . . . . . . . 6076 1 266 . 1 1 18 18 G C5' C 13 66.200 0.200 . 1 . . . . . . . . 6076 1 267 . 1 1 18 18 G C8 C 13 135.800 0.120 . 1 . . . . . . . . 6076 1 268 . 1 1 18 18 G H1' H 1 5.782 0.006 . 1 . . . . . . . . 6076 1 269 . 1 1 18 18 G H2' H 1 4.575 0.004 . 1 . . . . . . . . 6076 1 270 . 1 1 18 18 G H3' H 1 4.578 0.005 . 1 . . . . . . . . 6076 1 271 . 1 1 18 18 G H4' H 1 4.455 0.005 . 1 . . . . . . . . 6076 1 272 . 1 1 18 18 G H5'' H 1 4.379 0.020 . 1 . . . . . . . . 6076 1 273 . 1 1 18 18 G H5' H 1 4.118 0.005 . 1 . . . . . . . . 6076 1 274 . 1 1 18 18 G H8 H 1 7.177 0.006 . 1 . . . . . . . . 6076 1 275 . 1 1 18 18 G N9 N 15 169.488 0.150 . 1 . . . . . . . . 6076 1 276 . 1 1 19 19 G C1' C 13 94.052 0.120 . 1 . . . . . . . . 6076 1 277 . 1 1 19 19 G C2' C 13 76.059 0.120 . 1 . . . . . . . . 6076 1 278 . 1 1 19 19 G C3' C 13 72.405 0.137 . 1 . . . . . . . . 6076 1 279 . 1 1 19 19 G C4' C 13 82.509 0.120 . 1 . . . . . . . . 6076 1 280 . 1 1 19 19 G C5' C 13 64.986 0.125 . 1 . . . . . . . . 6076 1 281 . 1 1 19 19 G C8 C 13 135.849 0.120 . 1 . . . . . . . . 6076 1 282 . 1 1 19 19 G H1' H 1 5.777 0.010 . 1 . . . . . . . . 6076 1 283 . 1 1 19 19 G H2' H 1 4.385 0.008 . 1 . . . . . . . . 6076 1 284 . 1 1 19 19 G H3' H 1 4.498 0.005 . 1 . . . . . . . . 6076 1 285 . 1 1 19 19 G H4' H 1 4.338 0.007 . 1 . . . . . . . . 6076 1 286 . 1 1 19 19 G H5'' H 1 4.416 0.005 . 1 . . . . . . . . 6076 1 287 . 1 1 19 19 G H5' H 1 4.072 0.013 . 1 . . . . . . . . 6076 1 288 . 1 1 19 19 G H8 H 1 7.110 0.008 . 1 . . . . . . . . 6076 1 289 . 1 1 19 19 G N9 N 15 170.537 0.150 . 1 . . . . . . . . 6076 1 290 . 1 1 20 20 U C1' C 13 92.773 0.120 . 1 . . . . . . . . 6076 1 291 . 1 1 20 20 U C2' C 13 76.094 0.120 . 1 . . . . . . . . 6076 1 292 . 1 1 20 20 U C3' C 13 73.617 0.169 . 1 . . . . . . . . 6076 1 293 . 1 1 20 20 U C4' C 13 83.683 0.079 . 1 . . . . . . . . 6076 1 294 . 1 1 20 20 U C5 C 13 104.216 0.120 . 1 . . . . . . . . 6076 1 295 . 1 1 20 20 U C5' C 13 65.146 0.100 . 1 . . . . . . . . 6076 1 296 . 1 1 20 20 U C6 C 13 143.045 0.120 . 1 . . . . . . . . 6076 1 297 . 1 1 20 20 U H1' H 1 5.431 0.008 . 1 . . . . . . . . 6076 1 298 . 1 1 20 20 U H2' H 1 4.365 0.010 . 1 . . . . . . . . 6076 1 299 . 1 1 20 20 U H3' H 1 4.153 0.011 . 1 . . . . . . . . 6076 1 300 . 1 1 20 20 U H4' H 1 4.079 0.006 . 1 . . . . . . . . 6076 1 301 . 1 1 20 20 U H5 H 1 5.441 0.005 . 1 . . . . . . . . 6076 1 302 . 1 1 20 20 U H5'' H 1 4.171 0.008 . 1 . . . . . . . . 6076 1 303 . 1 1 20 20 U H5' H 1 3.840 0.007 . 1 . . . . . . . . 6076 1 304 . 1 1 20 20 U H6 H 1 7.756 0.006 . 1 . . . . . . . . 6076 1 305 . 1 1 20 20 U N1 N 15 145.714 0.150 . 1 . . . . . . . . 6076 1 306 . 1 1 21 21 G C1' C 13 92.511 0.120 . 1 . . . . . . . . 6076 1 307 . 1 1 21 21 G C2' C 13 76.169 0.120 . 1 . . . . . . . . 6076 1 308 . 1 1 21 21 G C3' C 13 74.564 0.099 . 1 . . . . . . . . 6076 1 309 . 1 1 21 21 G C4' C 13 83.446 0.120 . 1 . . . . . . . . 6076 1 310 . 1 1 21 21 G C5' C 13 66.102 0.120 . 1 . . . . . . . . 6076 1 311 . 1 1 21 21 G C8 C 13 137.570 0.120 . 1 . . . . . . . . 6076 1 312 . 1 1 21 21 G H1' H 1 5.497 0.005 . 1 . . . . . . . . 6076 1 313 . 1 1 21 21 G H2' H 1 4.320 0.007 . 1 . . . . . . . . 6076 1 314 . 1 1 21 21 G H3' H 1 4.667 0.005 . 1 . . . . . . . . 6076 1 315 . 1 1 21 21 G H4' H 1 4.301 0.008 . 1 . . . . . . . . 6076 1 316 . 1 1 21 21 G H5'' H 1 3.948 0.009 . 1 . . . . . . . . 6076 1 317 . 1 1 21 21 G H5' H 1 4.085 0.005 . 1 . . . . . . . . 6076 1 318 . 1 1 21 21 G H8 H 1 7.783 0.009 . 1 . . . . . . . . 6076 1 319 . 1 1 21 21 G N9 N 15 169.973 0.150 . 1 . . . . . . . . 6076 1 320 . 1 1 22 22 A C1' C 13 91.889 0.047 . 1 . . . . . . . . 6076 1 321 . 1 1 22 22 A C2 C 13 155.896 0.120 . 1 . . . . . . . . 6076 1 322 . 1 1 22 22 A C2' C 13 77.171 0.056 . 1 . . . . . . . . 6076 1 323 . 1 1 22 22 A C3' C 13 73.788 0.103 . 1 . . . . . . . . 6076 1 324 . 1 1 22 22 A C4' C 13 83.012 0.075 . 1 . . . . . . . . 6076 1 325 . 1 1 22 22 A C5' C 13 66.140 0.120 . 1 . . . . . . . . 6076 1 326 . 1 1 22 22 A C8 C 13 140.641 0.089 . 1 . . . . . . . . 6076 1 327 . 1 1 22 22 A H1' H 1 6.151 0.004 . 1 . . . . . . . . 6076 1 328 . 1 1 22 22 A H2 H 1 8.269 0.003 . 1 . . . . . . . . 6076 1 329 . 1 1 22 22 A H2' H 1 4.525 0.007 . 1 . . . . . . . . 6076 1 330 . 1 1 22 22 A H3' H 1 4.974 0.009 . 1 . . . . . . . . 6076 1 331 . 1 1 22 22 A H4' H 1 4.475 0.007 . 1 . . . . . . . . 6076 1 332 . 1 1 22 22 A H5'' H 1 4.544 0.007 . 1 . . . . . . . . 6076 1 333 . 1 1 22 22 A H5' H 1 4.279 0.005 . 1 . . . . . . . . 6076 1 334 . 1 1 22 22 A H8 H 1 8.281 0.007 . 1 . . . . . . . . 6076 1 335 . 1 1 22 22 A N9 N 15 172.558 0.150 . 1 . . . . . . . . 6076 1 336 . 1 1 23 23 C C1' C 13 95.481 0.035 . 1 . . . . . . . . 6076 1 337 . 1 1 23 23 C C2' C 13 75.017 0.120 . 1 . . . . . . . . 6076 1 338 . 1 1 23 23 C C3' C 13 74.828 0.120 . 1 . . . . . . . . 6076 1 339 . 1 1 23 23 C C4' C 13 83.064 0.028 . 1 . . . . . . . . 6076 1 340 . 1 1 23 23 C C5 C 13 99.639 0.120 . 1 . . . . . . . . 6076 1 341 . 1 1 23 23 C C5' C 13 69.595 0.038 . 1 . . . . . . . . 6076 1 342 . 1 1 23 23 C C6 C 13 142.130 0.120 . 1 . . . . . . . . 6076 1 343 . 1 1 23 23 C H1' H 1 3.946 0.020 . 1 . . . . . . . . 6076 1 344 . 1 1 23 23 C H2' H 1 4.362 0.006 . 1 . . . . . . . . 6076 1 345 . 1 1 23 23 C H3' H 1 4.073 0.005 . 1 . . . . . . . . 6076 1 346 . 1 1 23 23 C H4' H 1 4.209 0.008 . 1 . . . . . . . . 6076 1 347 . 1 1 23 23 C H5 H 1 6.103 0.005 . 1 . . . . . . . . 6076 1 348 . 1 1 23 23 C H5'' H 1 4.294 0.008 . 1 . . . . . . . . 6076 1 349 . 1 1 23 23 C H5' H 1 4.202 0.006 . 1 . . . . . . . . 6076 1 350 . 1 1 23 23 C H6 H 1 7.929 0.008 . 1 . . . . . . . . 6076 1 351 . 1 1 23 23 C N1 N 15 150.510 0.150 . 1 . . . . . . . . 6076 1 352 . 1 1 24 24 C C1' C 13 94.086 0.120 . 1 . . . . . . . . 6076 1 353 . 1 1 24 24 C C2' C 13 75.672 0.120 . 1 . . . . . . . . 6076 1 354 . 1 1 24 24 C C3' C 13 72.900 0.200 . 1 . . . . . . . . 6076 1 355 . 1 1 24 24 C C4' C 13 82.000 0.200 . 1 . . . . . . . . 6076 1 356 . 1 1 24 24 C C5' C 13 64.800 0.200 . 1 . . . . . . . . 6076 1 357 . 1 1 24 24 C C5 C 13 98.681 0.120 . 1 . . . . . . . . 6076 1 358 . 1 1 24 24 C C6 C 13 141.074 0.120 . 1 . . . . . . . . 6076 1 359 . 1 1 24 24 C H1' H 1 5.535 0.006 . 1 . . . . . . . . 6076 1 360 . 1 1 24 24 C H2' H 1 4.603 0.007 . 1 . . . . . . . . 6076 1 361 . 1 1 24 24 C H3' H 1 4.501 0.005 . 1 . . . . . . . . 6076 1 362 . 1 1 24 24 C H4' H 1 4.410 0.005 . 1 . . . . . . . . 6076 1 363 . 1 1 24 24 C H5 H 1 5.653 0.006 . 1 . . . . . . . . 6076 1 364 . 1 1 24 24 C H5'' H 1 4.546 0.005 . 1 . . . . . . . . 6076 1 365 . 1 1 24 24 C H5' H 1 4.124 0.005 . 1 . . . . . . . . 6076 1 366 . 1 1 24 24 C H6 H 1 7.787 0.006 . 1 . . . . . . . . 6076 1 367 . 1 1 24 24 C N1 N 15 150.563 0.150 . 1 . . . . . . . . 6076 1 368 . 1 1 25 25 G C1' C 13 93.384 0.157 . 1 . . . . . . . . 6076 1 369 . 1 1 25 25 G C2' C 13 75.632 0.120 . 1 . . . . . . . . 6076 1 370 . 1 1 25 25 G C3' C 13 73.079 0.120 . 1 . . . . . . . . 6076 1 371 . 1 1 25 25 G C4' C 13 82.100 0.200 . 1 . . . . . . . . 6076 1 372 . 1 1 25 25 G C5' C 13 65.000 0.200 . 1 . . . . . . . . 6076 1 373 . 1 1 25 25 G C8 C 13 136.427 0.120 . 1 . . . . . . . . 6076 1 374 . 1 1 25 25 G H1' H 1 5.729 0.007 . 1 . . . . . . . . 6076 1 375 . 1 1 25 25 G H2' H 1 4.517 0.006 . 1 . . . . . . . . 6076 1 376 . 1 1 25 25 G H3' H 1 4.579 0.005 . 1 . . . . . . . . 6076 1 377 . 1 1 25 25 G H4' H 1 4.479 0.009 . 1 . . . . . . . . 6076 1 378 . 1 1 25 25 G H5'' H 1 4.582 0.005 . 1 . . . . . . . . 6076 1 379 . 1 1 25 25 G H5' H 1 4.127 0.005 . 1 . . . . . . . . 6076 1 380 . 1 1 25 25 G H8 H 1 7.631 0.005 . 1 . . . . . . . . 6076 1 381 . 1 1 25 25 G N9 N 15 169.294 0.150 . 1 . . . . . . . . 6076 1 382 . 1 1 26 26 U C1' C 13 93.912 0.120 . 1 . . . . . . . . 6076 1 383 . 1 1 26 26 U C2' C 13 75.768 0.120 . 1 . . . . . . . . 6076 1 384 . 1 1 26 26 U C3' C 13 72.629 0.120 . 1 . . . . . . . . 6076 1 385 . 1 1 26 26 U C4' C 13 82.200 0.200 . 1 . . . . . . . . 6076 1 386 . 1 1 26 26 U C5 C 13 103.387 0.138 . 1 . . . . . . . . 6076 1 387 . 1 1 26 26 U C5' C 13 65.002 0.127 . 1 . . . . . . . . 6076 1 388 . 1 1 26 26 U C6 C 13 140.915 0.120 . 1 . . . . . . . . 6076 1 389 . 1 1 26 26 U H1' H 1 5.548 0.007 . 1 . . . . . . . . 6076 1 390 . 1 1 26 26 U H2' H 1 4.363 0.008 . 1 . . . . . . . . 6076 1 391 . 1 1 26 26 U H3' H 1 4.572 0.008 . 1 . . . . . . . . 6076 1 392 . 1 1 26 26 U H4' H 1 4.442 0.009 . 1 . . . . . . . . 6076 1 393 . 1 1 26 26 U H5 H 1 5.177 0.005 . 1 . . . . . . . . 6076 1 394 . 1 1 26 26 U H5'' H 1 4.575 0.006 . 1 . . . . . . . . 6076 1 395 . 1 1 26 26 U H5' H 1 4.099 0.005 . 1 . . . . . . . . 6076 1 396 . 1 1 26 26 U H6 H 1 7.749 0.004 . 1 . . . . . . . . 6076 1 397 . 1 1 26 26 U N1 N 15 145.621 0.150 . 1 . . . . . . . . 6076 1 398 . 1 1 27 27 G C1' C 13 90.401 0.070 . 1 . . . . . . . . 6076 1 399 . 1 1 27 27 G C2' C 13 77.747 0.120 . 1 . . . . . . . . 6076 1 400 . 1 1 27 27 G C3' C 13 76.245 0.120 . 1 . . . . . . . . 6076 1 401 . 1 1 27 27 G C4' C 13 84.915 0.022 . 1 . . . . . . . . 6076 1 402 . 1 1 27 27 G C5' C 13 66.482 0.120 . 1 . . . . . . . . 6076 1 403 . 1 1 27 27 G C8 C 13 137.635 0.120 . 1 . . . . . . . . 6076 1 404 . 1 1 27 27 G H1' H 1 6.028 0.005 . 1 . . . . . . . . 6076 1 405 . 1 1 27 27 G H2' H 1 4.341 0.007 . 1 . . . . . . . . 6076 1 406 . 1 1 27 27 G H3' H 1 4.826 0.007 . 1 . . . . . . . . 6076 1 407 . 1 1 27 27 G H4' H 1 4.559 0.007 . 1 . . . . . . . . 6076 1 408 . 1 1 27 27 G H5'' H 1 4.520 0.006 . 1 . . . . . . . . 6076 1 409 . 1 1 27 27 G H5' H 1 4.185 0.005 . 1 . . . . . . . . 6076 1 410 . 1 1 27 27 G H8 H 1 7.784 0.006 . 1 . . . . . . . . 6076 1 411 . 1 1 27 27 G N9 N 15 168.478 0.150 . 1 . . . . . . . . 6076 1 412 . 1 1 28 28 G C1' C 13 92.911 0.120 . 1 . . . . . . . . 6076 1 413 . 1 1 28 28 G C2' C 13 75.315 0.120 . 1 . . . . . . . . 6076 1 414 . 1 1 28 28 G C3' C 13 74.650 0.122 . 1 . . . . . . . . 6076 1 415 . 1 1 28 28 G C4' C 13 83.637 0.120 . 1 . . . . . . . . 6076 1 416 . 1 1 28 28 G C5' C 13 67.481 0.095 . 1 . . . . . . . . 6076 1 417 . 1 1 28 28 G C8 C 13 138.748 0.120 . 1 . . . . . . . . 6076 1 418 . 1 1 28 28 G H1' H 1 5.828 0.004 . 1 . . . . . . . . 6076 1 419 . 1 1 28 28 G H2' H 1 4.735 0.011 . 1 . . . . . . . . 6076 1 420 . 1 1 28 28 G H3' H 1 4.592 0.015 . 1 . . . . . . . . 6076 1 421 . 1 1 28 28 G H4' H 1 4.533 0.007 . 1 . . . . . . . . 6076 1 422 . 1 1 28 28 G H5'' H 1 4.440 0.010 . 1 . . . . . . . . 6076 1 423 . 1 1 28 28 G H5' H 1 4.213 0.006 . 1 . . . . . . . . 6076 1 424 . 1 1 28 28 G H8 H 1 8.083 0.007 . 1 . . . . . . . . 6076 1 425 . 1 1 28 28 G N9 N 15 168.901 0.150 . 1 . . . . . . . . 6076 1 426 . 1 1 29 29 U C1' C 13 94.061 0.120 . 1 . . . . . . . . 6076 1 427 . 1 1 29 29 U C2' C 13 75.666 0.120 . 1 . . . . . . . . 6076 1 428 . 1 1 29 29 U C3' C 13 72.925 0.120 . 1 . . . . . . . . 6076 1 429 . 1 1 29 29 U C4' C 13 82.733 0.120 . 1 . . . . . . . . 6076 1 430 . 1 1 29 29 U C5' C 13 65.100 0.200 . 1 . . . . . . . . 6076 1 431 . 1 1 29 29 U C5 C 13 102.688 0.120 . 1 . . . . . . . . 6076 1 432 . 1 1 29 29 U C6 C 13 142.681 0.120 . 1 . . . . . . . . 6076 1 433 . 1 1 29 29 U H1' H 1 5.650 0.005 . 1 . . . . . . . . 6076 1 434 . 1 1 29 29 U H2' H 1 4.607 0.008 . 1 . . . . . . . . 6076 1 435 . 1 1 29 29 U H3' H 1 4.513 0.005 . 1 . . . . . . . . 6076 1 436 . 1 1 29 29 U H4' H 1 4.508 0.005 . 1 . . . . . . . . 6076 1 437 . 1 1 29 29 U H5 H 1 5.169 0.008 . 1 . . . . . . . . 6076 1 438 . 1 1 29 29 U H5'' H 1 4.563 0.013 . 1 . . . . . . . . 6076 1 439 . 1 1 29 29 U H5' H 1 4.200 0.012 . 1 . . . . . . . . 6076 1 440 . 1 1 29 29 U H6 H 1 7.894 0.011 . 1 . . . . . . . . 6076 1 441 . 1 1 29 29 U N1 N 15 147.319 0.150 . 1 . . . . . . . . 6076 1 442 . 1 1 30 30 C C1' C 13 94.411 0.010 . 1 . . . . . . . . 6076 1 443 . 1 1 30 30 C C2' C 13 75.952 0.120 . 1 . . . . . . . . 6076 1 444 . 1 1 30 30 C C3' C 13 72.400 0.200 . 1 . . . . . . . . 6076 1 445 . 1 1 30 30 C C4' C 13 82.400 0.200 . 1 . . . . . . . . 6076 1 446 . 1 1 30 30 C C5 C 13 98.005 0.120 . 1 . . . . . . . . 6076 1 447 . 1 1 30 30 C C5' C 13 65.528 0.120 . 1 . . . . . . . . 6076 1 448 . 1 1 30 30 C C6 C 13 141.851 0.120 . 1 . . . . . . . . 6076 1 449 . 1 1 30 30 C H1' H 1 5.610 0.006 . 1 . . . . . . . . 6076 1 450 . 1 1 30 30 C H2' H 1 4.417 0.008 . 1 . . . . . . . . 6076 1 451 . 1 1 30 30 C H3' H 1 4.457 0.013 . 1 . . . . . . . . 6076 1 452 . 1 1 30 30 C H4' H 1 4.477 0.008 . 1 . . . . . . . . 6076 1 453 . 1 1 30 30 C H5 H 1 5.700 0.003 . 1 . . . . . . . . 6076 1 454 . 1 1 30 30 C H5'' H 1 4.537 0.005 . 1 . . . . . . . . 6076 1 455 . 1 1 30 30 C H5' H 1 4.205 0.005 . 1 . . . . . . . . 6076 1 456 . 1 1 30 30 C H6 H 1 7.898 0.009 . 1 . . . . . . . . 6076 1 457 . 1 1 30 30 C N1 N 15 151.641 0.150 . 1 . . . . . . . . 6076 1 458 . 1 1 31 31 C C1' C 13 94.509 0.120 . 1 . . . . . . . . 6076 1 459 . 1 1 31 31 C C2' C 13 75.797 0.157 . 1 . . . . . . . . 6076 1 460 . 1 1 31 31 C C3' C 13 72.998 0.120 . 1 . . . . . . . . 6076 1 461 . 1 1 31 31 C C4' C 13 81.800 0.200 . 1 . . . . . . . . 6076 1 462 . 1 1 31 31 C C5' C 13 64.700 0.200 . 1 . . . . . . . . 6076 1 463 . 1 1 31 31 C C5 C 13 97.941 0.120 . 1 . . . . . . . . 6076 1 464 . 1 1 31 31 C C6 C 13 141.697 0.120 . 1 . . . . . . . . 6076 1 465 . 1 1 31 31 C H1' H 1 5.451 0.007 . 1 . . . . . . . . 6076 1 466 . 1 1 31 31 C H2' H 1 4.368 0.005 . 1 . . . . . . . . 6076 1 467 . 1 1 31 31 C H3' H 1 4.479 0.013 . 1 . . . . . . . . 6076 1 468 . 1 1 31 31 C H4' H 1 4.418 0.015 . 1 . . . . . . . . 6076 1 469 . 1 1 31 31 C H5 H 1 5.555 0.005 . 1 . . . . . . . . 6076 1 470 . 1 1 31 31 C H5'' H 1 4.540 0.020 . 1 . . . . . . . . 6076 1 471 . 1 1 31 31 C H5' H 1 4.048 0.005 . 1 . . . . . . . . 6076 1 472 . 1 1 31 31 C H6 H 1 7.826 0.007 . 1 . . . . . . . . 6076 1 473 . 1 1 31 31 C N1 N 15 151.026 0.150 . 1 . . . . . . . . 6076 1 474 . 1 1 32 32 U C1' C 13 94.239 0.120 . 1 . . . . . . . . 6076 1 475 . 1 1 32 32 U C2' C 13 75.468 0.120 . 1 . . . . . . . . 6076 1 476 . 1 1 32 32 U C3' C 13 72.421 0.120 . 1 . . . . . . . . 6076 1 477 . 1 1 32 32 U C4' C 13 82.306 0.120 . 1 . . . . . . . . 6076 1 478 . 1 1 32 32 U C5' C 13 64.300 0.200 . 1 . . . . . . . . 6076 1 479 . 1 1 32 32 U C5 C 13 103.472 0.120 . 1 . . . . . . . . 6076 1 480 . 1 1 32 32 U C6 C 13 142.528 0.125 . 1 . . . . . . . . 6076 1 481 . 1 1 32 32 U H1' H 1 5.533 0.004 . 1 . . . . . . . . 6076 1 482 . 1 1 32 32 U H2' H 1 4.502 0.009 . 1 . . . . . . . . 6076 1 483 . 1 1 32 32 U H3' H 1 4.561 0.004 . 1 . . . . . . . . 6076 1 484 . 1 1 32 32 U H4' H 1 4.445 0.016 . 1 . . . . . . . . 6076 1 485 . 1 1 32 32 U H5 H 1 5.411 0.006 . 1 . . . . . . . . 6076 1 486 . 1 1 32 32 U H5'' H 1 4.580 0.020 . 1 . . . . . . . . 6076 1 487 . 1 1 32 32 U H5' H 1 4.088 0.005 . 1 . . . . . . . . 6076 1 488 . 1 1 32 32 U H6 H 1 7.973 0.008 . 1 . . . . . . . . 6076 1 489 . 1 1 32 32 U N1 N 15 146.808 0.150 . 1 . . . . . . . . 6076 1 490 . 1 1 33 33 C C1' C 13 94.544 0.120 . 1 . . . . . . . . 6076 1 491 . 1 1 33 33 C C2' C 13 76.039 0.055 . 1 . . . . . . . . 6076 1 492 . 1 1 33 33 C C3' C 13 72.492 0.120 . 1 . . . . . . . . 6076 1 493 . 1 1 33 33 C C4' C 13 82.103 0.120 . 1 . . . . . . . . 6076 1 494 . 1 1 33 33 C C5 C 13 97.517 0.120 . 1 . . . . . . . . 6076 1 495 . 1 1 33 33 C C5' C 13 64.661 0.120 . 1 . . . . . . . . 6076 1 496 . 1 1 33 33 C C6 C 13 142.031 0.227 . 1 . . . . . . . . 6076 1 497 . 1 1 33 33 C H1' H 1 5.584 0.005 . 1 . . . . . . . . 6076 1 498 . 1 1 33 33 C H2' H 1 4.209 0.009 . 1 . . . . . . . . 6076 1 499 . 1 1 33 33 C H3' H 1 4.503 0.008 . 1 . . . . . . . . 6076 1 500 . 1 1 33 33 C H4' H 1 4.423 0.011 . 1 . . . . . . . . 6076 1 501 . 1 1 33 33 C H5 H 1 5.660 0.005 . 1 . . . . . . . . 6076 1 502 . 1 1 33 33 C H5'' H 1 4.578 0.005 . 1 . . . . . . . . 6076 1 503 . 1 1 33 33 C H5' H 1 4.077 0.011 . 1 . . . . . . . . 6076 1 504 . 1 1 33 33 C H6 H 1 7.942 0.007 . 1 . . . . . . . . 6076 1 505 . 1 1 33 33 C N1 N 15 152.084 0.150 . 1 . . . . . . . . 6076 1 506 . 1 1 34 34 C C1' C 13 93.190 0.120 . 1 . . . . . . . . 6076 1 507 . 1 1 34 34 C C2' C 13 77.897 0.120 . 1 . . . . . . . . 6076 1 508 . 1 1 34 34 C C3' C 13 70.121 0.018 . 1 . . . . . . . . 6076 1 509 . 1 1 34 34 C C4' C 13 83.861 0.046 . 1 . . . . . . . . 6076 1 510 . 1 1 34 34 C C5 C 13 98.311 0.120 . 1 . . . . . . . . 6076 1 511 . 1 1 34 34 C C5' C 13 65.585 0.120 . 1 . . . . . . . . 6076 1 512 . 1 1 34 34 C C6 C 13 141.979 0.120 . 1 . . . . . . . . 6076 1 513 . 1 1 34 34 C H1' H 1 5.723 0.004 . 1 . . . . . . . . 6076 1 514 . 1 1 34 34 C H2' H 1 3.996 0.031 . 1 . . . . . . . . 6076 1 515 . 1 1 34 34 C H3' H 1 4.173 0.005 . 1 . . . . . . . . 6076 1 516 . 1 1 34 34 C H4' H 1 4.167 0.007 . 1 . . . . . . . . 6076 1 517 . 1 1 34 34 C H5 H 1 5.479 0.010 . 1 . . . . . . . . 6076 1 518 . 1 1 34 34 C H5'' H 1 4.489 0.006 . 1 . . . . . . . . 6076 1 519 . 1 1 34 34 C H5' H 1 4.026 0.010 . 1 . . . . . . . . 6076 1 520 . 1 1 34 34 C H6 H 1 7.669 0.006 . 1 . . . . . . . . 6076 1 521 . 1 1 34 34 C N1 N 15 152.471 0.150 . 1 . . . . . . . . 6076 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6076 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_2 _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 . 6076 2 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 2 2 G H1 H 1 12.445 0.001 . 1 . . . . . . . . 6076 2 2 . 1 1 2 2 G H1' H 1 5.967 0.010 . 1 . . . . . . . . 6076 2 3 . 1 1 2 2 G H8 H 1 7.552 0.010 . 1 . . . . . . . . 6076 2 4 . 1 1 3 3 A H1' H 1 6.019 0.010 . 1 . . . . . . . . 6076 2 5 . 1 1 3 3 A H2 H 1 7.490 0.010 . 1 . . . . . . . . 6076 2 6 . 1 1 3 3 A H61 H 1 8.337 0.010 . 1 . . . . . . . . 6076 2 7 . 1 1 3 3 A H62 H 1 6.088 0.010 . 1 . . . . . . . . 6076 2 8 . 1 1 3 3 A H8 H 1 7.788 0.010 . 1 . . . . . . . . 6076 2 9 . 1 1 4 4 G H1 H 1 12.799 0.003 . 1 . . . . . . . . 6076 2 10 . 1 1 4 4 G H1' H 1 5.643 0.010 . 1 . . . . . . . . 6076 2 11 . 1 1 4 4 G H8 H 1 7.097 0.010 . 1 . . . . . . . . 6076 2 12 . 1 1 5 5 G H1 H 1 12.527 0.001 . 1 . . . . . . . . 6076 2 13 . 1 1 5 5 G H1' H 1 5.730 0.010 . 1 . . . . . . . . 6076 2 14 . 1 1 5 5 G H8 H 1 7.189 0.010 . 1 . . . . . . . . 6076 2 15 . 1 1 6 6 A H1' H 1 6.017 0.010 . 1 . . . . . . . . 6076 2 16 . 1 1 6 6 A H2 H 1 7.841 0.010 . 1 . . . . . . . . 6076 2 17 . 1 1 6 6 A H2' H 1 4.620 0.010 . 1 . . . . . . . . 6076 2 18 . 1 1 6 6 A H8 H 1 7.860 0.010 . 1 . . . . . . . . 6076 2 19 . 1 1 7 7 C H1' H 1 5.341 0.010 . 1 . . . . . . . . 6076 2 20 . 1 1 7 7 C H3' H 1 4.299 0.010 . 1 . . . . . . . . 6076 2 21 . 1 1 7 7 C H41 H 1 8.062 0.009 . 1 . . . . . . . . 6076 2 22 . 1 1 7 7 C H42 H 1 7.023 0.003 . 1 . . . . . . . . 6076 2 23 . 1 1 7 7 C H5 H 1 5.221 0.010 . 1 . . . . . . . . 6076 2 24 . 1 1 7 7 C H6 H 1 7.281 0.004 . 1 . . . . . . . . 6076 2 25 . 1 1 8 8 A H1' H 1 5.914 0.010 . 1 . . . . . . . . 6076 2 26 . 1 1 8 8 A H2 H 1 7.208 0.010 . 1 . . . . . . . . 6076 2 27 . 1 1 8 8 A H2' H 1 4.370 0.010 . 1 . . . . . . . . 6076 2 28 . 1 1 8 8 A H3' H 1 4.373 0.010 . 1 . . . . . . . . 6076 2 29 . 1 1 8 8 A H8 H 1 7.872 0.010 . 1 . . . . . . . . 6076 2 30 . 1 1 9 9 U H1' H 1 5.410 0.010 . 1 . . . . . . . . 6076 2 31 . 1 1 9 9 U H2' H 1 4.048 0.010 . 1 . . . . . . . . 6076 2 32 . 1 1 9 9 U H5 H 1 5.235 0.010 . 1 . . . . . . . . 6076 2 33 . 1 1 9 9 U H5' H 1 3.952 0.010 . 1 . . . . . . . . 6076 2 34 . 1 1 9 9 U H6 H 1 7.350 0.010 . 1 . . . . . . . . 6076 2 35 . 1 1 10 10 C H6 H 1 7.772 0.010 . 1 . . . . . . . . 6076 2 36 . 1 1 13 13 U H1' H 1 5.772 0.010 . 1 . . . . . . . . 6076 2 37 . 1 1 13 13 U H2' H 1 4.502 0.010 . 1 . . . . . . . . 6076 2 38 . 1 1 13 13 U H3' H 1 4.446 0.010 . 1 . . . . . . . . 6076 2 39 . 1 1 13 13 U H5 H 1 5.794 0.010 . 1 . . . . . . . . 6076 2 40 . 1 1 13 13 U H6 H 1 7.859 0.010 . 1 . . . . . . . . 6076 2 41 . 1 1 14 14 C H1' H 1 5.586 0.010 . 1 . . . . . . . . 6076 2 42 . 1 1 14 14 C H2' H 1 4.541 0.010 . 1 . . . . . . . . 6076 2 43 . 1 1 14 14 C H41 H 1 8.569 0.010 . 1 . . . . . . . . 6076 2 44 . 1 1 14 14 C H42 H 1 7.378 0.010 . 1 . . . . . . . . 6076 2 45 . 1 1 14 14 C H5 H 1 6.051 0.010 . 1 . . . . . . . . 6076 2 46 . 1 1 14 14 C H6 H 1 8.150 0.010 . 1 . . . . . . . . 6076 2 47 . 1 1 15 15 A H1' H 1 6.074 0.010 . 1 . . . . . . . . 6076 2 48 . 1 1 15 15 A H2 H 1 7.643 0.010 . 1 . . . . . . . . 6076 2 49 . 1 1 15 15 A H2' H 1 4.579 0.010 . 1 . . . . . . . . 6076 2 50 . 1 1 15 15 A H3' H 1 4.889 0.010 . 1 . . . . . . . . 6076 2 51 . 1 1 15 15 A H8 H 1 8.346 0.010 . 1 . . . . . . . . 6076 2 52 . 1 1 16 16 C H1' H 1 5.559 0.010 . 1 . . . . . . . . 6076 2 53 . 1 1 16 16 C H2' H 1 4.405 0.010 . 1 . . . . . . . . 6076 2 54 . 1 1 16 16 C H41 H 1 8.323 0.010 . 1 . . . . . . . . 6076 2 55 . 1 1 16 16 C H42 H 1 6.939 0.010 . 1 . . . . . . . . 6076 2 56 . 1 1 16 16 C H5 H 1 5.340 0.010 . 1 . . . . . . . . 6076 2 57 . 1 1 16 16 C H6 H 1 7.674 0.010 . 1 . . . . . . . . 6076 2 58 . 1 1 17 17 G H1 H 1 12.431 0.003 . 1 . . . . . . . . 6076 2 59 . 1 1 17 17 G H1' H 1 5.781 0.010 . 1 . . . . . . . . 6076 2 60 . 1 1 17 17 G H2' H 1 4.529 0.010 . 1 . . . . . . . . 6076 2 61 . 1 1 17 17 G H8 H 1 7.550 0.010 . 1 . . . . . . . . 6076 2 62 . 1 1 18 18 G H1 H 1 13.121 0.002 . 1 . . . . . . . . 6076 2 63 . 1 1 18 18 G H1' H 1 5.772 0.010 . 1 . . . . . . . . 6076 2 64 . 1 1 18 18 G H2' H 1 4.600 0.010 . 1 . . . . . . . . 6076 2 65 . 1 1 18 18 G H3' H 1 4.494 0.010 . 1 . . . . . . . . 6076 2 66 . 1 1 18 18 G H8 H 1 7.179 0.010 . 1 . . . . . . . . 6076 2 67 . 1 1 19 19 G H1 H 1 10.834 0.001 . 1 . . . . . . . . 6076 2 68 . 1 1 19 19 G H1' H 1 5.819 0.010 . 1 . . . . . . . . 6076 2 69 . 1 1 19 19 G H5' H 1 4.050 0.010 . 1 . . . . . . . . 6076 2 70 . 1 1 20 20 U H3' H 1 4.156 0.010 . 1 . . . . . . . . 6076 2 71 . 1 1 20 20 U H4' H 1 4.102 0.010 . 1 . . . . . . . . 6076 2 72 . 1 1 20 20 U H5'' H 1 4.178 0.010 . 1 . . . . . . . . 6076 2 73 . 1 1 20 20 U H5' H 1 3.841 0.010 . 1 . . . . . . . . 6076 2 74 . 1 1 21 21 G H1 H 1 10.544 0.010 . 1 . . . . . . . . 6076 2 75 . 1 1 21 21 G H1' H 1 5.507 0.010 . 1 . . . . . . . . 6076 2 76 . 1 1 21 21 G H2' H 1 4.306 0.010 . 1 . . . . . . . . 6076 2 77 . 1 1 21 21 G H21 H 1 6.186 0.010 . 1 . . . . . . . . 6076 2 78 . 1 1 21 21 G H3' H 1 4.692 0.010 . 1 . . . . . . . . 6076 2 79 . 1 1 21 21 G H4' H 1 4.314 0.010 . 1 . . . . . . . . 6076 2 80 . 1 1 21 21 G H5'' H 1 3.976 0.010 . 1 . . . . . . . . 6076 2 81 . 1 1 21 21 G H5' H 1 4.173 0.010 . 1 . . . . . . . . 6076 2 82 . 1 1 21 21 G H8 H 1 7.803 0.010 . 1 . . . . . . . . 6076 2 83 . 1 1 22 22 A H1' H 1 6.169 0.010 . 1 . . . . . . . . 6076 2 84 . 1 1 22 22 A H2 H 1 8.291 0.010 . 1 . . . . . . . . 6076 2 85 . 1 1 22 22 A H3' H 1 4.979 0.010 . 1 . . . . . . . . 6076 2 86 . 1 1 22 22 A H4' H 1 4.495 0.010 . 1 . . . . . . . . 6076 2 87 . 1 1 22 22 A H8 H 1 8.297 0.010 . 1 . . . . . . . . 6076 2 88 . 1 1 23 23 C H1' H 1 3.841 0.010 . 1 . . . . . . . . 6076 2 89 . 1 1 23 23 C H2' H 1 4.372 0.010 . 1 . . . . . . . . 6076 2 90 . 1 1 23 23 C H4' H 1 4.198 0.010 . 1 . . . . . . . . 6076 2 91 . 1 1 23 23 C H41 H 1 8.781 0.004 . 1 . . . . . . . . 6076 2 92 . 1 1 23 23 C H42 H 1 7.103 0.010 . 1 . . . . . . . . 6076 2 93 . 1 1 23 23 C H5 H 1 6.118 0.010 . 1 . . . . . . . . 6076 2 94 . 1 1 23 23 C H6 H 1 7.962 0.004 . 1 . . . . . . . . 6076 2 95 . 1 1 24 24 C H1' H 1 5.547 0.010 . 1 . . . . . . . . 6076 2 96 . 1 1 24 24 C H2' H 1 4.611 0.010 . 1 . . . . . . . . 6076 2 97 . 1 1 24 24 C H41 H 1 8.509 0.010 . 1 . . . . . . . . 6076 2 98 . 1 1 24 24 C H42 H 1 6.925 0.006 . 1 . . . . . . . . 6076 2 99 . 1 1 24 24 C H5 H 1 5.674 0.010 . 1 . . . . . . . . 6076 2 100 . 1 1 24 24 C H6 H 1 7.795 0.014 . 1 . . . . . . . . 6076 2 101 . 1 1 25 25 G H1 H 1 12.986 0.003 . 1 . . . . . . . . 6076 2 102 . 1 1 25 25 G H1' H 1 5.755 0.010 . 1 . . . . . . . . 6076 2 103 . 1 1 25 25 G H8 H 1 7.652 0.010 . 1 . . . . . . . . 6076 2 104 . 1 1 26 26 U H1' H 1 5.562 0.010 . 1 . . . . . . . . 6076 2 105 . 1 1 26 26 U H2' H 1 4.390 0.010 . 1 . . . . . . . . 6076 2 106 . 1 1 26 26 U H3 H 1 14.141 0.004 . 1 . . . . . . . . 6076 2 107 . 1 1 26 26 U H5 H 1 5.202 0.010 . 1 . . . . . . . . 6076 2 108 . 1 1 26 26 U H6 H 1 7.768 0.010 . 1 . . . . . . . . 6076 2 109 . 1 1 27 27 G H1 H 1 12.654 0.005 . 1 . . . . . . . . 6076 2 110 . 1 1 27 27 G H1' H 1 6.054 0.010 . 1 . . . . . . . . 6076 2 111 . 1 1 27 27 G H3' H 1 4.849 0.010 . 1 . . . . . . . . 6076 2 112 . 1 1 27 27 G H8 H 1 7.800 0.010 . 1 . . . . . . . . 6076 2 113 . 1 1 28 28 G H1 H 1 12.663 0.003 . 1 . . . . . . . . 6076 2 114 . 1 1 28 28 G H21 H 1 8.541 0.010 . 1 . . . . . . . . 6076 2 115 . 1 1 28 28 G H8 H 1 8.114 0.010 . 1 . . . . . . . . 6076 2 116 . 1 1 29 29 U H1' H 1 5.650 0.016 . 1 . . . . . . . . 6076 2 117 . 1 1 29 29 U H3 H 1 14.361 0.001 . 1 . . . . . . . . 6076 2 118 . 1 1 29 29 U H5 H 1 5.191 0.010 . 1 . . . . . . . . 6076 2 119 . 1 1 29 29 U H6 H 1 7.919 0.010 . 1 . . . . . . . . 6076 2 120 . 1 1 30 30 C H3' H 1 4.446 0.010 . 1 . . . . . . . . 6076 2 121 . 1 1 30 30 C H41 H 1 8.574 0.010 . 1 . . . . . . . . 6076 2 122 . 1 1 30 30 C H42 H 1 7.058 0.010 . 1 . . . . . . . . 6076 2 123 . 1 1 30 30 C H5 H 1 5.704 0.010 . 1 . . . . . . . . 6076 2 124 . 1 1 30 30 C H6 H 1 7.888 0.010 . 1 . . . . . . . . 6076 2 125 . 1 1 31 31 C H1' H 1 5.469 0.010 . 1 . . . . . . . . 6076 2 126 . 1 1 31 31 C H3' H 1 4.501 0.010 . 1 . . . . . . . . 6076 2 127 . 1 1 31 31 C H41 H 1 8.557 0.010 . 1 . . . . . . . . 6076 2 128 . 1 1 31 31 C H42 H 1 6.976 0.010 . 1 . . . . . . . . 6076 2 129 . 1 1 31 31 C H5 H 1 5.573 0.010 . 1 . . . . . . . . 6076 2 130 . 1 1 31 31 C H6 H 1 7.808 0.010 . 1 . . . . . . . . 6076 2 131 . 1 1 32 32 U H1' H 1 5.548 0.010 . 1 . . . . . . . . 6076 2 132 . 1 1 32 32 U H2' H 1 4.553 0.010 . 1 . . . . . . . . 6076 2 133 . 1 1 32 32 U H3 H 1 14.104 0.003 . 1 . . . . . . . . 6076 2 134 . 1 1 32 32 U H5 H 1 5.437 0.010 . 1 . . . . . . . . 6076 2 135 . 1 1 32 32 U H6 H 1 7.986 0.010 . 1 . . . . . . . . 6076 2 136 . 1 1 33 33 C H1' H 1 5.606 0.010 . 1 . . . . . . . . 6076 2 137 . 1 1 33 33 C H2' H 1 4.232 0.010 . 1 . . . . . . . . 6076 2 138 . 1 1 33 33 C H41 H 1 8.399 0.010 . 1 . . . . . . . . 6076 2 139 . 1 1 33 33 C H42 H 1 7.057 0.010 . 1 . . . . . . . . 6076 2 140 . 1 1 33 33 C H5 H 1 5.670 0.010 . 1 . . . . . . . . 6076 2 141 . 1 1 33 33 C H6 H 1 7.974 0.010 . 1 . . . . . . . . 6076 2 142 . 1 1 34 34 C H1' H 1 5.723 0.010 . 1 . . . . . . . . 6076 2 143 . 1 1 34 34 C H2' H 1 4.017 0.010 . 1 . . . . . . . . 6076 2 144 . 1 1 34 34 C H5 H 1 5.495 0.010 . 1 . . . . . . . . 6076 2 145 . 1 1 34 34 C H6 H 1 7.679 0.010 . 1 . . . . . . . . 6076 2 stop_ save_