data_15656 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15656 _Entry.Title ; Apical Stem Loop Duck HBV ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-13 _Entry.Accession_date 2008-02-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kirsten Ampt . A.M. . 15656 2 Otmar Ottink . M. . 15656 3 Fred Girard . C. . 15656 4 Frank Nelissen . S. . 15656 5 Marco Tessari . . . 15656 6 Sybren Wijmenga . S. . 15656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 15656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 194 15656 '15N chemical shifts' 45 15656 '1H chemical shifts' 315 15656 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 3 . . 2009-08-13 2008-02-13 update BMRB 'added PubMed ID' 15656 2 . . 2008-12-03 2008-02-13 update BMRB 'complete entry citation' 15656 1 . . 2008-09-12 2008-02-13 original author 'original release' 15656 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15656 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636894 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N NMR assignments of Duck HBV apical stem loop of the epsilon encapsidation signal' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 159 _Citation.Page_last 162 _Citation.Year 2008 _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 Kirsten Ampt . A.M. . 15656 1 2 Otmar Ottink . M. . 15656 1 3 Fred Girard . C. . 15656 1 4 Frank Nelissen . . . 15656 1 5 Marco Tessari . . . 15656 1 6 Sybren Wijmenga . S. . 15656 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Apical Loop' 15656 1 Duck 15656 1 HBV 15656 1 NMR 15656 1 RNA 15656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15656 _Assembly.ID 1 _Assembly.Name 'Duck HBV apical loop' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 APIC 1 $Duck_HBV_apical_loop A . yes native no no . . . 15656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Duck_HBV_apical_loop _Entity.Sf_category entity _Entity.Sf_framecode Duck_HBV_apical_loop _Entity.Entry_ID 15656 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Duck_HBV_apical_loop _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 ; GGUCUACAUUGCUGUUGUCG UGUGUGACC ; _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 29 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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_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 . 15656 1 2 . G . 15656 1 3 . U . 15656 1 4 . C . 15656 1 5 . U . 15656 1 6 . A . 15656 1 7 . C . 15656 1 8 . A . 15656 1 9 . U . 15656 1 10 . U . 15656 1 11 . G . 15656 1 12 . C . 15656 1 13 . U . 15656 1 14 . G . 15656 1 15 . U . 15656 1 16 . U . 15656 1 17 . G . 15656 1 18 . U . 15656 1 19 . C . 15656 1 20 . G . 15656 1 21 . U . 15656 1 22 . G . 15656 1 23 . U . 15656 1 24 . G . 15656 1 25 . U . 15656 1 26 . G . 15656 1 27 . A . 15656 1 28 . C . 15656 1 29 . C . 15656 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 15656 1 . G 2 2 15656 1 . U 3 3 15656 1 . C 4 4 15656 1 . U 5 5 15656 1 . A 6 6 15656 1 . C 7 7 15656 1 . A 8 8 15656 1 . U 9 9 15656 1 . U 10 10 15656 1 . G 11 11 15656 1 . C 12 12 15656 1 . U 13 13 15656 1 . G 14 14 15656 1 . U 15 15 15656 1 . U 16 16 15656 1 . G 17 17 15656 1 . U 18 18 15656 1 . C 19 19 15656 1 . G 20 20 15656 1 . U 21 21 15656 1 . G 22 22 15656 1 . U 23 23 15656 1 . G 24 24 15656 1 . U 25 25 15656 1 . G 26 26 15656 1 . A 27 27 15656 1 . C 28 28 15656 1 . C 29 29 15656 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 15656 _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 $Duck_HBV_apical_loop . 10407 virus . 'Hepatitis B virus' 'Hepatitis B virus' . . Viruses . Orthohepadnavirus 'Hepatitis B virus' . . . . . . . . . . . . . . . . . . . . . 15656 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 15656 _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 $Duck_HBV_apical_loop . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15656 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Duck HBV apical loop' 'natural abundance' . . 1 $Duck_HBV_apical_loop . . 1.2 . . mM . . . . 15656 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15656 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15656 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15656 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15656 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15656 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Duck HBV apical loop' 'natural abundance' . . 1 $Duck_HBV_apical_loop . . 1.2 . . mM . . . . 15656 2 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15656 2 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15656 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15656 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15656 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Duck HBV apical loop' '[U-13C; U-15N]-Ura' . . 1 $Duck_HBV_apical_loop . . 1 . . mM . . . . 15656 3 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15656 3 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15656 3 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15656 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15656 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15656 _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 'Duck HBV apical loop' '[U-13C; U-15N]-Ura' . . 1 $Duck_HBV_apical_loop . . 1 . . mM . . . . 15656 4 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15656 4 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15656 4 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15656 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15656 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Duck HBV apical loop' '[U-13C; U-15N]' . . 1 $Duck_HBV_apical_loop . . 0.7 . . mM . . . . 15656 5 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15656 5 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15656 5 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15656 5 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15656 5 6 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 15656 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 15656 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Duck HBV apical loop' '[U-13C; U-15N]' . . 1 $Duck_HBV_apical_loop . . 0.7 . . mM . . . . 15656 6 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 15656 6 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 15656 6 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15656 6 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15656 6 6 'Pf1 phage' 'natural abundance' . . . . . . 15 . . mg/ml . . . . 15656 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 15656 _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' 10 . mM 15656 1 pH 6.7 . pH 15656 1 pressure 1 . atm 15656 1 temperature 278 . K 15656 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 15656 _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' 10 . mM 15656 2 pH 6.7 . pH 15656 2 pressure 1 . atm 15656 2 temperature 288 . K 15656 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 15656 _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' 10 . mM 15656 3 pH 6.7 . pH 15656 3 pressure 1 . atm 15656 3 temperature 298 . K 15656 3 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15656 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15656 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15656 1 'peak picking' 15656 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15656 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15656 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15656 2 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 15656 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15656 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15656 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15656 _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 Varian INOVA . 500 . . . 15656 1 2 spectrometer_2 Varian INOVA . 600 . . . 15656 1 3 spectrometer_3 Varian INOVA . 800 . . . 15656 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 15656 _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 . . . . . . . . . . . . . . . . 15656 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15656 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15656 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 3 $sample_conditions_3 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 1 9 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 1 10 '2D 1H-1H COSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 1 12 '3D HCN' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15656 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 15656 _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 internal indirect 0.251449530 . . . . . . . . . 15656 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15656 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15656 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_5C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_5C _Assigned_chem_shift_list.Entry_ID 15656 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 15656 1 4 '2D 1H-15N HSQC' . . . 15656 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.79 0.01 . 1 . . . . 1 G H1 . 15656 1 2 . 1 1 2 2 G H1 H 1 13.30 0.01 . 1 . . . . 2 G H1 . 15656 1 3 . 1 1 3 3 U H3 H 1 14.24 0.01 . 1 . . . . 3 U H3 . 15656 1 4 . 1 1 3 3 U H5 H 1 5.114 0.01 . 1 . . . . 3 U H5 . 15656 1 5 . 1 1 3 3 U H6 H 1 7.767 0.01 . 1 . . . . 3 U H6 . 15656 1 6 . 1 1 3 3 U N3 N 15 162.3 0.1 . 1 . . . . 3 U N3 . 15656 1 7 . 1 1 4 4 C H41 H 1 8.305 0.01 . 1 . . . . 4 C H4B . 15656 1 8 . 1 1 4 4 C H42 H 1 7.012 0.01 . 1 . . . . 4 C H4F . 15656 1 9 . 1 1 4 4 C H5 H 1 5.635 0.01 . 1 . . . . 4 C H5 . 15656 1 10 . 1 1 4 4 C H6 H 1 7.678 0.01 . 1 . . . . 4 C H6 . 15656 1 11 . 1 1 5 5 U H3 H 1 11.25 0.01 . 1 . . . . 5 U H3 . 15656 1 12 . 1 1 5 5 U H5 H 1 5.619 0.01 . 1 . . . . 5 U H5 . 15656 1 13 . 1 1 5 5 U H6 H 1 7.841 0.01 . 1 . . . . 5 U H6 . 15656 1 14 . 1 1 5 5 U N3 N 15 157.8 0.1 . 1 . . . . 5 U N3 . 15656 1 15 . 1 1 6 6 A H1' H 1 5.762 0.01 . 1 . . . . 6 A H1' . 15656 1 16 . 1 1 6 6 A H2 H 1 7.469 0.01 . 1 . . . . 6 A H2 . 15656 1 17 . 1 1 6 6 A H61 H 1 7.651 0.01 . 1 . . . . 6 A H6B . 15656 1 18 . 1 1 6 6 A H62 H 1 6.577 0.01 . 1 . . . . 6 A H6F . 15656 1 19 . 1 1 7 7 C H41 H 1 8.205 0.01 . 1 . . . . 7 C H4B . 15656 1 20 . 1 1 7 7 C H42 H 1 6.878 0.01 . 1 . . . . 7 C H4F . 15656 1 21 . 1 1 7 7 C H5 H 1 5.205 0.01 . 1 . . . . 7 C H5 . 15656 1 22 . 1 1 7 7 C H6 H 1 7.534 0.01 . 1 . . . . 7 C H6 . 15656 1 23 . 1 1 8 8 A H1' H 1 5.936 0.01 . 1 . . . . 8 A H1' . 15656 1 24 . 1 1 8 8 A H2 H 1 7.362 0.01 . 1 . . . . 8 A H2 . 15656 1 25 . 1 1 8 8 A H61 H 1 7.811 0.01 . 1 . . . . 8 A H6B . 15656 1 26 . 1 1 8 8 A H62 H 1 6.444 0.01 . 1 . . . . 8 A H6F . 15656 1 27 . 1 1 9 9 U H3 H 1 11.87 0.01 . 1 . . . . 9 U H3 . 15656 1 28 . 1 1 9 9 U H5 H 1 5.350 0.01 . 1 . . . . 9 U H5 . 15656 1 29 . 1 1 9 9 U H6 H 1 7.489 0.01 . 1 . . . . 9 U H6 . 15656 1 30 . 1 1 9 9 U N3 N 15 158.1 0.01 . 1 . . . . 9 U N3 . 15656 1 31 . 1 1 10 10 U H5 H 1 5.561 0.01 . 1 . . . . 10 U H5 . 15656 1 32 . 1 1 10 10 U H6 H 1 8.046 0.01 . 1 . . . . 10 U H6 . 15656 1 33 . 1 1 11 11 G H1 H 1 11.22 0.01 . 1 . . . . 11 G H1 . 15656 1 34 . 1 1 11 11 G H22 H 1 6.282 0.01 . 1 . . . . 11 G H2F . 15656 1 35 . 1 1 12 12 C H41 H 1 8.173 0.01 . 1 . . . . 12 C H4B . 15656 1 36 . 1 1 12 12 C H42 H 1 7.051 0.01 . 1 . . . . 12 C H4F . 15656 1 37 . 1 1 12 12 C H5 H 1 5.272 0.01 . 1 . . . . 12 C H5 . 15656 1 38 . 1 1 12 12 C H6 H 1 7.553 0.01 . 1 . . . . 12 C H6 . 15656 1 39 . 1 1 13 13 U H1' H 1 5.481 0.01 . 1 . . . . 13 U H1' . 15656 1 40 . 1 1 13 13 U H3 H 1 10.93 0.01 . 1 . . . . 13 U H3 . 15656 1 41 . 1 1 13 13 U H5 H 1 5.610 0.01 . 1 . . . . 13 U H5 . 15656 1 42 . 1 1 13 13 U H6 H 1 7.593 0.01 . 1 . . . . 13 U H6 . 15656 1 43 . 1 1 13 13 U N3 N 15 157.7 0.1 . 1 . . . . 13 U N3 . 15656 1 44 . 1 1 15 15 U H5 H 1 5.751 0.01 . 1 . . . . 15 U H5 . 15656 1 45 . 1 1 15 15 U H6 H 1 7.650 0.01 . 1 . . . . 15 U H6 . 15656 1 46 . 1 1 16 16 U H5 H 1 5.891 0.01 . 1 . . . . 16 U H5 . 15656 1 47 . 1 1 16 16 U H6 H 1 7.887 0.01 . 1 . . . . 16 U H6 . 15656 1 48 . 1 1 17 17 G H1 H 1 13.30 0.01 . 1 . . . . 17 G H1 . 15656 1 49 . 1 1 18 18 U H3 H 1 12.26 0.01 . 1 . . . . 18 U H3 . 15656 1 50 . 1 1 18 18 U H5 H 1 5.485 0.01 . 1 . . . . 18 U H5 . 15656 1 51 . 1 1 18 18 U H6 H 1 7.691 0.01 . 1 . . . . 18 U H6 . 15656 1 52 . 1 1 18 18 U N3 N 15 158.7 0.1 . 1 . . . . 18 U N3 . 15656 1 53 . 1 1 19 19 C H5 H 1 5.435 0.01 . 1 . . . . 19 C H5 . 15656 1 54 . 1 1 20 20 G H1 H 1 11.55 0.01 . 1 . . . . 20 G H1 . 15656 1 55 . 1 1 20 20 G H1' H 1 5.533 0.01 . 1 . . . . 20 G H1' . 15656 1 56 . 1 1 20 20 G H22 H 1 6.268 0.01 . 1 . . . . 20 G H2F . 15656 1 57 . 1 1 21 21 U H1' H 1 5.422 0.01 . 1 . . . . 21 U H1' . 15656 1 58 . 1 1 21 21 U H3 H 1 13.84 0.01 . 1 . . . . 21 U H3 . 15656 1 59 . 1 1 21 21 U H5 H 1 5.198 0.01 . 1 . . . . 21 U H5 . 15656 1 60 . 1 1 21 21 U H6 H 1 7.664 0.01 . 1 . . . . 21 U H6 . 15656 1 61 . 1 1 21 21 U N3 N 15 162.7 0.1 . 1 . . . . 21 U N3 . 15656 1 62 . 1 1 22 22 G H1 H 1 12.52 0.01 . 1 . . . . 22 G H1 . 15656 1 63 . 1 1 22 22 G H21 H 1 7.944 0.01 . 1 . . . . 22 G H2B . 15656 1 64 . 1 1 22 22 G H22 H 1 6.132 0.01 . 1 . . . . 22 G H2F . 15656 1 65 . 1 1 23 23 U H3 H 1 13.72 0.01 . 1 . . . . 23 U H3 . 15656 1 66 . 1 1 23 23 U H5 H 1 5.106 0.01 . 1 . . . . 23 U H5 . 15656 1 67 . 1 1 23 23 U H6 H 1 7.552 0.01 . 1 . . . . 23 U H6 . 15656 1 68 . 1 1 23 23 U N3 N 15 161.7 0.1 . 1 . . . . 23 U N3 . 15656 1 69 . 1 1 24 24 G H1 H 1 10.25 0.01 . 1 . . . . 24 G H1 . 15656 1 70 . 1 1 26 26 G H1 H 1 12.60 0.01 . 1 . . . . 26 G H1 . 15656 1 71 . 1 1 26 26 G H22 H 1 6.163 0.01 . 1 . . . . 26 G H2F . 15656 1 72 . 1 1 27 27 A H2 H 1 7.838 0.01 . 1 . . . . 27 A H2 . 15656 1 73 . 1 1 27 27 A H61 H 1 8.314 0.01 . 1 . . . . 27 A H6B . 15656 1 74 . 1 1 27 27 A H62 H 1 6.577 0.01 . 1 . . . . 27 A H6F . 15656 1 75 . 1 1 28 28 C H41 H 1 8.497 0.01 . 1 . . . . 28 C H4B . 15656 1 76 . 1 1 28 28 C H42 H 1 6.990 0.01 . 1 . . . . 28 C H4F . 15656 1 77 . 1 1 28 28 C H5 H 1 5.159 0.01 . 1 . . . . 28 C H5 . 15656 1 78 . 1 1 28 28 C H6 H 1 7.504 0.01 . 1 . . . . 28 C H6 . 15656 1 79 . 1 1 29 29 C H41 H 1 8.430 0.01 . 1 . . . . 29 C H4B . 15656 1 80 . 1 1 29 29 C H42 H 1 6.948 0.01 . 1 . . . . 29 C H4F . 15656 1 81 . 1 1 29 29 C H5 H 1 5.408 0.01 . 1 . . . . 29 C H5 . 15656 1 82 . 1 1 29 29 C H6 H 1 7.614 0.01 . 1 . . . . 29 C H6 . 15656 1 stop_ save_ save_assigned_chem_shift_list_15C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_15C _Assigned_chem_shift_list.Entry_ID 15656 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D 1H-13C NOESY' . . . 15656 2 5 '2D 1H-15N HSQC' . . . 15656 2 8 '2D 1H-13C HSQC' . . . 15656 2 10 '2D 1H-1H COSY' . . . 15656 2 11 '3D HCCH-TOCSY' . . . 15656 2 12 '3D HCN' . . . 15656 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 1 1 G H8 H 1 8.131 0.01 . 1 . . . . 1 G H8 . 15656 2 2 . 1 1 1 1 G C8 C 13 139.0 0.1 . 1 . . . . 1 G C8 . 15656 2 3 . 1 1 2 2 G H1 H 1 13.28 0.01 . 1 . . . . 2 G H1 . 15656 2 4 . 1 1 2 2 G H1' H 1 5.936 0.01 . 1 . . . . 2 G H1' . 15656 2 5 . 1 1 2 2 G H2' H 1 4.537 0.01 . 1 . . . . 2 G H2' . 15656 2 6 . 1 1 2 2 G H3' H 1 4.546 0.01 . 1 . . . . 2 G H3' . 15656 2 7 . 1 1 2 2 G H4' H 1 4.479 0.01 . 1 . . . . 2 G H4' . 15656 2 8 . 1 1 2 2 G H8 H 1 7.537 0.01 . 1 . . . . 2 G H8 . 15656 2 9 . 1 1 2 2 G C1' C 13 93.12 0.1 . 1 . . . . 2 G C1' . 15656 2 10 . 1 1 2 2 G C2' C 13 75.37 0.1 . 1 . . . . 2 G C2' . 15656 2 11 . 1 1 2 2 G C3' C 13 72.98 0.1 . 1 . . . . 2 G C3' . 15656 2 12 . 1 1 2 2 G C4' C 13 82.49 0.1 . 1 . . . . 2 G C4' . 15656 2 13 . 1 1 2 2 G C6 C 13 161.8 0.1 . 1 . . . . 2 G C6 . 15656 2 14 . 1 1 2 2 G C8 C 13 136.8 0.1 . 1 . . . . 2 G C8 . 15656 2 15 . 1 1 2 2 G N1 N 15 148.4 0.1 . 1 . . . . 2 G N1 . 15656 2 16 . 1 1 2 2 G N9 N 15 169.4 0.1 . 1 . . . . 2 G N9 . 15656 2 17 . 1 1 3 3 U H1' H 1 5.621 0.01 . 1 . . . . 3 U H1' . 15656 2 18 . 1 1 3 3 U H2' H 1 4.624 0.01 . 1 . . . . 3 U H2' . 15656 2 19 . 1 1 3 3 U H3 H 1 13.65 0.01 . 1 . . . . 3 U H3 . 15656 2 20 . 1 1 3 3 U H3' H 1 4.464 0.01 . 1 . . . . 3 U H3' . 15656 2 21 . 1 1 3 3 U H5 H 1 5.115 0.01 . 1 . . . . 3 U H5 . 15656 2 22 . 1 1 3 3 U H6 H 1 7.777 0.01 . 1 . . . . 3 U H6 . 15656 2 23 . 1 1 3 3 U C1' C 13 93.68 0.1 . 1 . . . . 3 U C1' . 15656 2 24 . 1 1 3 3 U C2' C 13 75.48 0.1 . 1 . . . . 3 U C2' . 15656 2 25 . 1 1 3 3 U C3' C 13 72.23 0.1 . 1 . . . . 3 U C3' . 15656 2 26 . 1 1 3 3 U C4 C 13 169.7 0.1 . 1 . . . . 3 U C4 . 15656 2 27 . 1 1 3 3 U C4' C 13 82.05 0.1 . 1 . . . . 3 U C4' . 15656 2 28 . 1 1 3 3 U C5 C 13 104.3 0.1 . 1 . . . . 3 U C5 . 15656 2 29 . 1 1 3 3 U C6 C 13 141.7 0.1 . 1 . . . . 3 U C6 . 15656 2 30 . 1 1 3 3 U N1 N 15 146.8 0.1 . 1 . . . . 3 U N1 . 15656 2 31 . 1 1 3 3 U N3 N 15 161.4 0.1 . 1 . . . . 3 U N3 . 15656 2 32 . 1 1 4 4 C H1' H 1 5.548 0.01 . 1 . . . . 4 C H1' . 15656 2 33 . 1 1 4 4 C H2' H 1 4.498 0.01 . 1 . . . . 4 C H2' . 15656 2 34 . 1 1 4 4 C H3' H 1 4.227 0.01 . 1 . . . . 4 C H3' . 15656 2 35 . 1 1 4 4 C H41 H 1 8.291 0.01 . 1 . . . . 4 C H4B . 15656 2 36 . 1 1 4 4 C H42 H 1 6.976 0.01 . 1 . . . . 4 C H4F . 15656 2 37 . 1 1 4 4 C H5 H 1 5.630 0.01 . 1 . . . . 4 C H5 . 15656 2 38 . 1 1 4 4 C H6 H 1 7.674 0.01 . 1 . . . . 4 C H6 . 15656 2 39 . 1 1 4 4 C C1' C 13 94.20 0.1 . 1 . . . . 4 C C1' . 15656 2 40 . 1 1 4 4 C C2' C 13 75.69 0.1 . 1 . . . . 4 C C2' . 15656 2 41 . 1 1 4 4 C C3' C 13 72.66 0.1 . 1 . . . . 4 C C3' . 15656 2 42 . 1 1 4 4 C C4' C 13 81.94 0.1 . 1 . . . . 4 C C4' . 15656 2 43 . 1 1 4 4 C C5 C 13 99.84 0.1 . 1 . . . . 4 C C5 . 15656 2 44 . 1 1 4 4 C N1 N 15 151.4 0.1 . 1 . . . . 4 C N1 . 15656 2 45 . 1 1 4 4 C N4 N 15 98.37 0.1 . 1 . . . . 4 C N4 . 15656 2 46 . 1 1 5 5 U H1' H 1 5.568 0.01 . 1 . . . . 5 U H1' . 15656 2 47 . 1 1 5 5 U H2' H 1 4.186 0.01 . 1 . . . . 5 U H2' . 15656 2 48 . 1 1 5 5 U H3 H 1 11.17 0.01 . 1 . . . . 5 U H3 . 15656 2 49 . 1 1 5 5 U H3' H 1 4.586 0.01 . 1 . . . . 5 U H3' . 15656 2 50 . 1 1 5 5 U H4' H 1 4.379 0.01 . 1 . . . . 5 U H4' . 15656 2 51 . 1 1 5 5 U H5 H 1 5.669 0.01 . 1 . . . . 5 U H5 . 15656 2 52 . 1 1 5 5 U H6 H 1 7.832 0.01 . 1 . . . . 5 U H6 . 15656 2 53 . 1 1 5 5 U C1' C 13 93.66 0.1 . 1 . . . . 5 U C1' . 15656 2 54 . 1 1 5 5 U C2' C 13 75.67 0.1 . 1 . . . . 5 U C2' . 15656 2 55 . 1 1 5 5 U C3' C 13 72.44 0.1 . 1 . . . . 5 U C3' . 15656 2 56 . 1 1 5 5 U C4 C 13 168.0 0.1 . 1 . . . . 5 U C4 . 15656 2 57 . 1 1 5 5 U C4' C 13 82.67 0.1 . 1 . . . . 5 U C4' . 15656 2 58 . 1 1 5 5 U C5 C 13 106.5 0.1 . 1 . . . . 5 U C5 . 15656 2 59 . 1 1 5 5 U C6 C 13 141.0 0.1 . 1 . . . . 5 U C6 . 15656 2 60 . 1 1 5 5 U N1 N 15 146.2 0.1 . 1 . . . . 5 U N1 . 15656 2 61 . 1 1 5 5 U N3 N 15 157.8 0.1 . 1 . . . . 5 U N3 . 15656 2 62 . 1 1 6 6 A H2 H 1 7.482 0.01 . 1 . . . . 6 A H2 . 15656 2 63 . 1 1 6 6 A H8 H 1 8.282 0.01 . 1 . . . . 6 A H8 . 15656 2 64 . 1 1 6 6 A C2 C 13 153.9 0.1 . 1 . . . . 6 A C2 . 15656 2 65 . 1 1 6 6 A C8 C 13 140.5 0.1 . 1 . . . . 6 A C8 . 15656 2 66 . 1 1 7 7 C H1' H 1 5.394 0.01 . 1 . . . . 7 C H1' . 15656 2 67 . 1 1 7 7 C H2' H 1 4.420 0.01 . 1 . . . . 7 C H2' . 15656 2 68 . 1 1 7 7 C H3' H 1 4.415 0.01 . 1 . . . . 7 C H3' . 15656 2 69 . 1 1 7 7 C H41 H 1 8.193 0.01 . 1 . . . . 7 C H4B . 15656 2 70 . 1 1 7 7 C H42 H 1 6.847 0.01 . 1 . . . . 7 C H4F . 15656 2 71 . 1 1 7 7 C H5 H 1 5.206 0.01 . 1 . . . . 7 C H5 . 15656 2 72 . 1 1 7 7 C H6 H 1 7.520 0.01 . 1 . . . . 7 C H6 . 15656 2 73 . 1 1 7 7 C C1' C 13 93.64 0.1 . 1 . . . . 7 C C1' . 15656 2 74 . 1 1 7 7 C C2' C 13 75.29 0.1 . 1 . . . . 7 C C2' . 15656 2 75 . 1 1 7 7 C C3' C 13 72.51 0.1 . 1 . . . . 7 C C3' . 15656 2 76 . 1 1 7 7 C C4 C 13 168.5 0.1 . 1 . . . . 7 C C4 . 15656 2 77 . 1 1 7 7 C C4' C 13 82.02 0.1 . 1 . . . . 7 C C4' . 15656 2 78 . 1 1 7 7 C C5 C 13 99.19 0.1 . 1 . . . . 7 C C5 . 15656 2 79 . 1 1 7 7 C N1 N 15 150.7 0.1 . 1 . . . . 7 C N1 . 15656 2 80 . 1 1 7 7 C N4 N 15 97.64 0.1 . 1 . . . . 7 C N4 . 15656 2 81 . 1 1 8 8 A H1' H 1 5.940 0.01 . 1 . . . . 8 A H1' . 15656 2 82 . 1 1 8 8 A H2 H 1 7.380 0.01 . 1 . . . . 8 A H2 . 15656 2 83 . 1 1 8 8 A H4' H 1 4.474 0.01 . 1 . . . . 8 A H4' . 15656 2 84 . 1 1 8 8 A H8 H 1 7.879 0.01 . 1 . . . . 8 A H8 . 15656 2 85 . 1 1 8 8 A C1' C 13 93.13 0.1 . 1 . . . . 8 A C1' . 15656 2 86 . 1 1 8 8 A C2 C 13 153.2 0.1 . 1 . . . . 8 A C2 . 15656 2 87 . 1 1 8 8 A C2' C 13 75.47 0.1 . 1 . . . . 8 A C2' . 15656 2 88 . 1 1 8 8 A C3' C 13 72.62 0.1 . 1 . . . . 8 A C3' . 15656 2 89 . 1 1 8 8 A C4' C 13 82.03 0.1 . 1 . . . . 8 A C4' . 15656 2 90 . 1 1 8 8 A C8 C 13 139.2 0.1 . 1 . . . . 8 A C8 . 15656 2 91 . 1 1 8 8 A N9 N 15 171.0 0.1 . 1 . . . . 8 A N9 . 15656 2 92 . 1 1 9 9 U H3 H 1 11.79 0.01 . 1 . . . . 9 U H3 . 15656 2 93 . 1 1 9 9 U H5 H 1 5.352 0.01 . 1 . . . . 9 U H5 . 15656 2 94 . 1 1 9 9 U H6 H 1 7.484 0.01 . 1 . . . . 9 U H6 . 15656 2 95 . 1 1 9 9 U C4 C 13 167.2 0.1 . 1 . . . . 9 U C4 . 15656 2 96 . 1 1 9 9 U C5 C 13 105.7 0.1 . 1 . . . . 9 U C5 . 15656 2 97 . 1 1 9 9 U N3 N 15 158.1 0.1 . 1 . . . . 9 U N3 . 15656 2 98 . 1 1 10 10 U H5 H 1 5.597 0.01 . 1 . . . . 10 U H5 . 15656 2 99 . 1 1 10 10 U H6 H 1 8.001 0.01 . 1 . . . . 10 U H6 . 15656 2 100 . 1 1 10 10 U C5 C 13 105.7 0.1 . 1 . . . . 10 U C5 . 15656 2 101 . 1 1 10 10 U C6 C 13 142.9 0.1 . 1 . . . . 10 U C6 . 15656 2 102 . 1 1 11 11 G H8 H 1 7.616 0.01 . 1 . . . . 11 G H8 . 15656 2 103 . 1 1 11 11 G C8 C 13 136.8 0.1 . 1 . . . . 11 G C8 . 15656 2 104 . 1 1 12 12 C H1' H 1 5.531 0.01 . 1 . . . . 12 C H1' . 15656 2 105 . 1 1 12 12 C H2' H 1 4.452 0.01 . 1 . . . . 12 C H2' . 15656 2 106 . 1 1 12 12 C H3' H 1 4.297 0.01 . 1 . . . . 12 C H3' . 15656 2 107 . 1 1 12 12 C H4' H 1 4.357 0.01 . 1 . . . . 12 C H4' . 15656 2 108 . 1 1 12 12 C H41 H 1 8.183 0.01 . 1 . . . . 12 C H4B . 15656 2 109 . 1 1 12 12 C H42 H 1 6.986 0.01 . 1 . . . . 12 C H4F . 15656 2 110 . 1 1 12 12 C H5 H 1 5.262 0.01 . 1 . . . . 12 C H5 . 15656 2 111 . 1 1 12 12 C H6 H 1 7.547 0.01 . 1 . . . . 12 C H6 . 15656 2 112 . 1 1 12 12 C C1' C 13 93.49 0.1 . 1 . . . . 12 C C1' . 15656 2 113 . 1 1 12 12 C C2' C 13 75.73 0.1 . 1 . . . . 12 C C2' . 15656 2 114 . 1 1 12 12 C C3' C 13 72.32 0.1 . 1 . . . . 12 C C3' . 15656 2 115 . 1 1 12 12 C C4 C 13 168.6 0.1 . 1 . . . . 12 C C4 . 15656 2 116 . 1 1 12 12 C C4' C 13 82.15 0.1 . 1 . . . . 12 C C4' . 15656 2 117 . 1 1 12 12 C C5 C 13 98.93 0.1 . 1 . . . . 12 C C5 . 15656 2 118 . 1 1 12 12 C N1 N 15 151.8 0.1 . 1 . . . . 12 C N1 . 15656 2 119 . 1 1 12 12 C N4 N 15 98.96 0.1 . 1 . . . . 12 C N4 . 15656 2 120 . 1 1 13 13 U H1' H 1 5.492 0.01 . 1 . . . . 13 U H1' . 15656 2 121 . 1 1 13 13 U H2' H 1 4.160 0.01 . 1 . . . . 13 U H2' . 15656 2 122 . 1 1 13 13 U H3 H 1 10.87 0.01 . 1 . . . . 13 U H3 . 15656 2 123 . 1 1 13 13 U H3' H 1 4.396 0.01 . 1 . . . . 13 U H3' . 15656 2 124 . 1 1 13 13 U H4' H 1 4.304 0.01 . 1 . . . . 13 U H4' . 15656 2 125 . 1 1 13 13 U H5 H 1 5.609 0.01 . 1 . . . . 13 U H5 . 15656 2 126 . 1 1 13 13 U H6 H 1 7.599 0.01 . 1 . . . . 13 U H6 . 15656 2 127 . 1 1 13 13 U C1' C 13 94.11 0.1 . 1 . . . . 13 U C1' . 15656 2 128 . 1 1 13 13 U C2' C 13 75.53 0.1 . 1 . . . . 13 U C2' . 15656 2 129 . 1 1 13 13 U C3' C 13 73.41 0.1 . 1 . . . . 13 U C3' . 15656 2 130 . 1 1 13 13 U C4 C 13 167.6 0.1 . 1 . . . . 13 U C4 . 15656 2 131 . 1 1 13 13 U C4' C 13 83.16 0.1 . 1 . . . . 13 U C4' . 15656 2 132 . 1 1 13 13 U C5 C 13 106.6 0.1 . 1 . . . . 13 U C5 . 15656 2 133 . 1 1 13 13 U N1 N 15 145.1 0.1 . 1 . . . . 13 U N1 . 15656 2 134 . 1 1 13 13 U N3 N 15 157.9 0.1 . 1 . . . . 13 U N3 . 15656 2 135 . 1 1 14 14 G H1' H 1 5.503 0.01 . 1 . . . . 14 G H1' . 15656 2 136 . 1 1 14 14 G H2' H 1 4.769 0.01 . 1 . . . . 14 G H2' . 15656 2 137 . 1 1 14 14 G H3' H 1 4.565 0.01 . 1 . . . . 14 G H3' . 15656 2 138 . 1 1 14 14 G H4' H 1 4.474 0.01 . 1 . . . . 14 G H4' . 15656 2 139 . 1 1 14 14 G H8 H 1 7.700 0.01 . 1 . . . . 14 G H8 . 15656 2 140 . 1 1 14 14 G C1' C 13 89.45 0.1 . 1 . . . . 14 G C1' . 15656 2 141 . 1 1 14 14 G C2' C 13 74.55 0.1 . 1 . . . . 14 G C2' . 15656 2 142 . 1 1 14 14 G C3' C 13 78.48 0.1 . 1 . . . . 14 G C3' . 15656 2 143 . 1 1 14 14 G C4' C 13 85.19 0.1 . 1 . . . . 14 G C4' . 15656 2 144 . 1 1 14 14 G C8 C 13 140.8 0.1 . 1 . . . . 14 G C8 . 15656 2 145 . 1 1 14 14 G N9 N 15 165.2 0.1 . 1 . . . . 14 G N9 . 15656 2 146 . 1 1 15 15 U H1' H 1 5.867 0.01 . 1 . . . . 15 U H1' . 15656 2 147 . 1 1 15 15 U H2' H 1 4.397 0.01 . 1 . . . . 15 U H2' . 15656 2 148 . 1 1 15 15 U H3' H 1 4.629 0.01 . 1 . . . . 15 U H3' . 15656 2 149 . 1 1 15 15 U H4' H 1 4.370 0.01 . 1 . . . . 15 U H4' . 15656 2 150 . 1 1 15 15 U H5 H 1 5.765 0.01 . 1 . . . . 15 U H5 . 15656 2 151 . 1 1 15 15 U H6 H 1 7.657 0.01 . 1 . . . . 15 U H6 . 15656 2 152 . 1 1 15 15 U C1' C 13 90.89 0.1 . 1 . . . . 15 U C1' . 15656 2 153 . 1 1 15 15 U C2' C 13 75.70 0.1 . 1 . . . . 15 U C2' . 15656 2 154 . 1 1 15 15 U C3' C 13 77.16 0.1 . 1 . . . . 15 U C3' . 15656 2 155 . 1 1 15 15 U C4 C 13 168.4 0.1 . 1 . . . . 15 U C4 . 15656 2 156 . 1 1 15 15 U C4' C 13 84.48 0.1 . 1 . . . . 15 U C4' . 15656 2 157 . 1 1 15 15 U C5 C 13 107.2 0.1 . 1 . . . . 15 U C5 . 15656 2 158 . 1 1 15 15 U C6 C 13 144.2 0.1 . 1 . . . . 15 U C6 . 15656 2 159 . 1 1 15 15 U N1 N 15 145.0 0.1 . 1 . . . . 15 U N1 . 15656 2 160 . 1 1 16 16 U H1' H 1 5.894 0.01 . 1 . . . . 16 U H1' . 15656 2 161 . 1 1 16 16 U H2' H 1 4.517 0.01 . 1 . . . . 16 U H2' . 15656 2 162 . 1 1 16 16 U H3' H 1 4.633 0.01 . 1 . . . . 16 U H3' . 15656 2 163 . 1 1 16 16 U H4' H 1 4.473 0.01 . 1 . . . . 16 U H4' . 15656 2 164 . 1 1 16 16 U H5 H 1 5.880 0.01 . 1 . . . . 16 U H5 . 15656 2 165 . 1 1 16 16 U H6 H 1 7.863 0.01 . 1 . . . . 16 U H6 . 15656 2 166 . 1 1 16 16 U C1' C 13 90.09 0.1 . 1 . . . . 16 U C1' . 15656 2 167 . 1 1 16 16 U C2' C 13 74.88 0.1 . 1 . . . . 16 U C2' . 15656 2 168 . 1 1 16 16 U C3' C 13 76.64 0.1 . 1 . . . . 16 U C3' . 15656 2 169 . 1 1 16 16 U C4 C 13 169.3 0.1 . 1 . . . . 16 U C4 . 15656 2 170 . 1 1 16 16 U C4' C 13 85.12 0.1 . 1 . . . . 16 U C4' . 15656 2 171 . 1 1 16 16 U C5 C 13 106.9 0.1 . 1 . . . . 16 U C5 . 15656 2 172 . 1 1 16 16 U C6 C 13 144.3 0.1 . 1 . . . . 16 U C6 . 15656 2 173 . 1 1 16 16 U N1 N 15 143.6 0.1 . 1 . . . . 16 U N1 . 15656 2 174 . 1 1 17 17 G H1 H 1 13.23 0.01 . 1 . . . . 17 G H1 . 15656 2 175 . 1 1 17 17 G H8 H 1 7.814 0.01 . 1 . . . . 17 G H8 . 15656 2 176 . 1 1 17 17 G C6 C 13 162.2 0.1 . 1 . . . . 17 G C6 . 15656 2 177 . 1 1 17 17 G C8 C 13 137.5 0.1 . 1 . . . . 17 G C8 . 15656 2 178 . 1 1 17 17 G N1 N 15 148.5 0.1 . 1 . . . . 17 G N1 . 15656 2 179 . 1 1 18 18 U H1' H 1 5.663 0.01 . 1 . . . . 18 U H1' . 15656 2 180 . 1 1 18 18 U H2' H 1 4.413 0.01 . 1 . . . . 18 U H2' . 15656 2 181 . 1 1 18 18 U H3' H 1 4.594 0.01 . 1 . . . . 18 U H3' . 15656 2 182 . 1 1 18 18 U H4' H 1 4.422 0.01 . 1 . . . . 18 U H4' . 15656 2 183 . 1 1 18 18 U H5 H 1 5.566 0.01 . 1 . . . . 18 U H5 . 15656 2 184 . 1 1 18 18 U H6 H 1 7.787 0.01 . 1 . . . . 18 U H6 . 15656 2 185 . 1 1 18 18 U C1' C 13 92.79 0.1 . 1 . . . . 18 U C1' . 15656 2 186 . 1 1 18 18 U C2' C 13 75.45 0.1 . 1 . . . . 18 U C2' . 15656 2 187 . 1 1 18 18 U C3' C 13 74.10 0.1 . 1 . . . . 18 U C3' . 15656 2 188 . 1 1 18 18 U C4' C 13 83.53 0.1 . 1 . . . . 18 U C4' . 15656 2 189 . 1 1 18 18 U C5 C 13 105.2 0.1 . 1 . . . . 18 U C5 . 15656 2 190 . 1 1 18 18 U C6 C 13 143.3 0.1 . 1 . . . . 18 U C6 . 15656 2 191 . 1 1 18 18 U N1 N 15 146.0 0.1 . 1 . . . . 18 U N1 . 15656 2 192 . 1 1 19 19 C H1' H 1 5.674 0.01 . 1 . . . . 19 C H1' . 15656 2 193 . 1 1 19 19 C H2' H 1 4.651 0.01 . 1 . . . . 19 C H2' . 15656 2 194 . 1 1 19 19 C H41 H 1 8.380 0.01 . 1 . . . . 19 C H4B . 15656 2 195 . 1 1 19 19 C H5 H 1 5.596 0.01 . 1 . . . . 19 C H5 . 15656 2 196 . 1 1 19 19 C H6 H 1 7.688 0.01 . 1 . . . . 19 C H6 . 15656 2 197 . 1 1 19 19 C C1' C 13 93.28 0.1 . 1 . . . . 19 C C1' . 15656 2 198 . 1 1 19 19 C C2' C 13 75.78 0.1 . 1 . . . . 19 C C2' . 15656 2 199 . 1 1 19 19 C C3' C 13 72.69 0.1 . 1 . . . . 19 C C3' . 15656 2 200 . 1 1 19 19 C C4' C 13 81.78 0.1 . 1 . . . . 19 C C4' . 15656 2 201 . 1 1 19 19 C C5 C 13 99.35 0.1 . 1 . . . . 19 C C5 . 15656 2 202 . 1 1 19 19 C N1 N 15 153.4 0.1 . 1 . . . . 19 C N1 . 15656 2 203 . 1 1 19 19 C N4 N 15 97.34 0.1 . 1 . . . . 19 C N4 . 15656 2 204 . 1 1 20 20 G H1 H 1 11.44 0.01 . 1 . . . . 20 G H1 . 15656 2 205 . 1 1 20 20 G H1' H 1 5.623 0.01 . 1 . . . . 20 G H1' . 15656 2 206 . 1 1 20 20 G H2' H 1 4.624 0.01 . 1 . . . . 20 G H2' . 15656 2 207 . 1 1 20 20 G H3' H 1 4.464 0.01 . 1 . . . . 20 G H3' . 15656 2 208 . 1 1 20 20 G H8 H 1 7.564 0.01 . 1 . . . . 20 G H8 . 15656 2 209 . 1 1 20 20 G C1' C 13 93.61 0.1 . 1 . . . . 20 G C1' . 15656 2 210 . 1 1 20 20 G C2' C 13 75.48 0.1 . 1 . . . . 20 G C2' . 15656 2 211 . 1 1 20 20 G C3' C 13 72.23 0.1 . 1 . . . . 20 G C3' . 15656 2 212 . 1 1 20 20 G C4' C 13 82.05 0.1 . 1 . . . . 20 G C4' . 15656 2 213 . 1 1 20 20 G C6 C 13 161.5 0.1 . 1 . . . . 20 G C6 . 15656 2 214 . 1 1 20 20 G C8 C 13 137.8 0.1 . 1 . . . . 20 G C8 . 15656 2 215 . 1 1 20 20 G N1 N 15 144.8 0.1 . 1 . . . . 20 G N1 . 15656 2 216 . 1 1 20 20 G N9 N 15 170.5 0.1 . 1 . . . . 20 G N9 . 15656 2 217 . 1 1 21 21 U H1' H 1 5.449 0.01 . 1 . . . . 21 U H1' . 15656 2 218 . 1 1 21 21 U H2' H 1 4.586 0.01 . 1 . . . . 21 U H2' . 15656 2 219 . 1 1 21 21 U H3 H 1 13.76 0.01 . 1 . . . . 21 U H3 . 15656 2 220 . 1 1 21 21 U H3' H 1 4.542 0.01 . 1 . . . . 21 U H3' . 15656 2 221 . 1 1 21 21 U H4' H 1 4.425 0.01 . 1 . . . . 21 U H4' . 15656 2 222 . 1 1 21 21 U H5 H 1 5.211 0.01 . 1 . . . . 21 U H5 . 15656 2 223 . 1 1 21 21 U H6 H 1 7.657 0.01 . 1 . . . . 21 U H6 . 15656 2 224 . 1 1 21 21 U C1' C 13 93.69 0.1 . 1 . . . . 21 U C1' . 15656 2 225 . 1 1 21 21 U C2' C 13 75.24 0.1 . 1 . . . . 21 U C2' . 15656 2 226 . 1 1 21 21 U C3' C 13 71.92 0.1 . 1 . . . . 21 U C3' . 15656 2 227 . 1 1 21 21 U C4 C 13 169.3 0.1 . 1 . . . . 21 U C4 . 15656 2 228 . 1 1 21 21 U C4' C 13 82.00 0.1 . 1 . . . . 21 U C4' . 15656 2 229 . 1 1 21 21 U C5 C 13 105.0 0.1 . 1 . . . . 21 U C5 . 15656 2 230 . 1 1 21 21 U N1 N 15 145.9 0.1 . 1 . . . . 21 U N1 . 15656 2 231 . 1 1 21 21 U N3 N 15 162.6 0.1 . 1 . . . . 21 U N3 . 15656 2 232 . 1 1 22 22 G H1 H 1 12.51 0.01 . 1 . . . . 22 G H1 . 15656 2 233 . 1 1 22 22 G H1' H 1 5.752 0.01 . 1 . . . . 22 G H1' . 15656 2 234 . 1 1 22 22 G H3' H 1 4.524 0.01 . 1 . . . . 22 G H3' . 15656 2 235 . 1 1 22 22 G H4' H 1 4.048 0.01 . 1 . . . . 22 G H4' . 15656 2 236 . 1 1 22 22 G H8 H 1 7.674 0.01 . 1 . . . . 22 G H8 . 15656 2 237 . 1 1 22 22 G C1' C 13 92.94 0.1 . 1 . . . . 22 G C1' . 15656 2 238 . 1 1 22 22 G C2' C 13 75.37 0.1 . 1 . . . . 22 G C2' . 15656 2 239 . 1 1 22 22 G C3' C 13 72.84 0.1 . 1 . . . . 22 G C3' . 15656 2 240 . 1 1 22 22 G C4' C 13 82.05 0.1 . 1 . . . . 22 G C4' . 15656 2 241 . 1 1 22 22 G C6 C 13 161.4 0.1 . 1 . . . . 22 G C6 . 15656 2 242 . 1 1 22 22 G C8 C 13 136.3 0.1 . 1 . . . . 22 G C8 . 15656 2 243 . 1 1 22 22 G N1 N 15 147.2 0.1 . 1 . . . . 22 G N1 . 15656 2 244 . 1 1 22 22 G N9 N 15 169.6 0.1 . 1 . . . . 22 G N9 . 15656 2 245 . 1 1 23 23 U H1' H 1 5.488 0.01 . 1 . . . . 23 U H1' . 15656 2 246 . 1 1 23 23 U H2' H 1 4.443 0.01 . 1 . . . . 23 U H2' . 15656 2 247 . 1 1 23 23 U H3 H 1 13.66 0.01 . 1 . . . . 23 U H3 . 15656 2 248 . 1 1 23 23 U H3' H 1 4.438 0.01 . 1 . . . . 23 U H3' . 15656 2 249 . 1 1 23 23 U H4' H 1 4.394 0.01 . 1 . . . . 23 U H4' . 15656 2 250 . 1 1 23 23 U H5 H 1 5.103 0.01 . 1 . . . . 23 U H5 . 15656 2 251 . 1 1 23 23 U H6 H 1 7.543 0.01 . 1 . . . . 23 U H6 . 15656 2 252 . 1 1 23 23 U C1' C 13 93.38 0.1 . 1 . . . . 23 U C1' . 15656 2 253 . 1 1 23 23 U C2' C 13 75.54 0.1 . 1 . . . . 23 U C2' . 15656 2 254 . 1 1 23 23 U C3' C 13 72.70 0.1 . 1 . . . . 23 U C3' . 15656 2 255 . 1 1 23 23 U C4 C 13 169.3 0.1 . 1 . . . . 23 U C4 . 15656 2 256 . 1 1 23 23 U C4' C 13 82.31 0.1 . 1 . . . . 23 U C4' . 15656 2 257 . 1 1 23 23 U C5 C 13 104.7 0.1 . 1 . . . . 23 U C5 . 15656 2 258 . 1 1 23 23 U N1 N 15 145.6 0.1 . 1 . . . . 23 U N1 . 15656 2 259 . 1 1 23 23 U N3 N 15 161.6 0.1 . 1 . . . . 23 U N3 . 15656 2 260 . 1 1 24 24 G H1' H 1 5.743 0.01 . 1 . . . . 24 G H1' . 15656 2 261 . 1 1 24 24 G H8 H 1 7.792 0.01 . 1 . . . . 24 G H8 . 15656 2 262 . 1 1 24 24 G C1' C 13 91.10 0.1 . 1 . . . . 24 G C1' . 15656 2 263 . 1 1 24 24 G C8 C 13 138.0 0.1 . 1 . . . . 24 G C8 . 15656 2 264 . 1 1 24 24 G N9 N 15 168.5 0.1 . 1 . . . . 24 G N9 . 15656 2 265 . 1 1 25 25 U H5 H 1 5.779 0.01 . 9 . . . . 25 U H5 . 15656 2 266 . 1 1 25 25 U H6 H 1 7.750 0.01 . 9 . . . . 25 U H6 . 15656 2 267 . 1 1 26 26 G H1 H 1 12.55 0.01 . 1 . . . . 26 G H1 . 15656 2 268 . 1 1 26 26 G H8 H 1 7.750 0.01 . 1 . . . . 26 G H8 . 15656 2 269 . 1 1 26 26 G C6 C 13 161.8 0.1 . 1 . . . . 26 G C6 . 15656 2 270 . 1 1 26 26 G C8 C 13 137.4 0.1 . 1 . . . . 26 G C8 . 15656 2 271 . 1 1 26 26 G N1 N 15 147.5 0.1 . 1 . . . . 26 G N1 . 15656 2 272 . 1 1 27 27 A H1' H 1 6.021 0.01 . 1 . . . . 27 A H1' . 15656 2 273 . 1 1 27 27 A H2 H 1 7.837 0.01 . 1 . . . . 27 A H2 . 15656 2 274 . 1 1 27 27 A H3' H 1 4.552 0.01 . 1 . . . . 27 A H3' . 15656 2 275 . 1 1 27 27 A H4' H 1 4.550 0.01 . 1 . . . . 27 A H4' . 15656 2 276 . 1 1 27 27 A H8 H 1 7.922 0.01 . 1 . . . . 27 A H8 . 15656 2 277 . 1 1 27 27 A C1' C 13 93.25 0.1 . 1 . . . . 27 A C1' . 15656 2 278 . 1 1 27 27 A C2 C 13 154.0 0.1 . 1 . . . . 27 A C2 . 15656 2 279 . 1 1 27 27 A C2' C 13 75.43 0.1 . 1 . . . . 27 A C2' . 15656 2 280 . 1 1 27 27 A C3' C 13 73.11 0.1 . 1 . . . . 27 A C3' . 15656 2 281 . 1 1 27 27 A C4' C 13 82.39 0.1 . 1 . . . . 27 A C4' . 15656 2 282 . 1 1 27 27 A C8 C 13 139.9 0.1 . 1 . . . . 27 A C8 . 15656 2 283 . 1 1 27 27 A N9 N 15 170.4 0.1 . 1 . . . . 27 A N9 . 15656 2 284 . 1 1 28 28 C H1' H 1 5.454 0.01 . 1 . . . . 28 C H1' . 15656 2 285 . 1 1 28 28 C H2' H 1 4.179 0.01 . 1 . . . . 28 C H2' . 15656 2 286 . 1 1 28 28 C H3' H 1 4.361 0.01 . 1 . . . . 28 C H3' . 15656 2 287 . 1 1 28 28 C H4' H 1 4.397 0.01 . 1 . . . . 28 C H4' . 15656 2 288 . 1 1 28 28 C H41 H 1 8.477 0.01 . 1 . . . . 28 C H4B . 15656 2 289 . 1 1 28 28 C H5 H 1 5.164 0.01 . 1 . . . . 28 C H5 . 15656 2 290 . 1 1 28 28 C H6 H 1 7.487 0.01 . 1 . . . . 28 C H6 . 15656 2 291 . 1 1 28 28 C C1' C 13 94.09 0.1 . 1 . . . . 28 C C1' . 15656 2 292 . 1 1 28 28 C C2' C 13 75.71 0.1 . 1 . . . . 28 C C2' . 15656 2 293 . 1 1 28 28 C C3' C 13 72.14 0.1 . 1 . . . . 28 C C3' . 15656 2 294 . 1 1 28 28 C C4 C 13 168.6 0.1 . 1 . . . . 28 C C4 . 15656 2 295 . 1 1 28 28 C C4' C 13 81.82 0.1 . 1 . . . . 28 C C4' . 15656 2 296 . 1 1 28 28 C C5 C 13 98.82 0.1 . 1 . . . . 28 C C5 . 15656 2 297 . 1 1 28 28 C N1 N 15 151.2 0.1 . 1 . . . . 28 C N1 . 15656 2 298 . 1 1 28 28 C N4 N 15 98.66 0.1 . 1 . . . . 28 C N4 . 15656 2 299 . 1 1 29 29 C H1' H 1 5.767 0.01 . 1 . . . . 29 C H1' . 15656 2 300 . 1 1 29 29 C H2' H 1 4.008 0.01 . 1 . . . . 29 C H2' . 15656 2 301 . 1 1 29 29 C H4' H 1 4.161 0.01 . 1 . . . . 29 C H4' . 15656 2 302 . 1 1 29 29 C H41 H 1 8.429 0.01 . 1 . . . . 29 C H4B . 15656 2 303 . 1 1 29 29 C H5 H 1 5.442 0.01 . 1 . . . . 29 C H5 . 15656 2 304 . 1 1 29 29 C H6 H 1 7.642 0.01 . 1 . . . . 29 C H6 . 15656 2 305 . 1 1 29 29 C C1' C 13 92.86 0.1 . 1 . . . . 29 C C1' . 15656 2 306 . 1 1 29 29 C C2' C 13 77.60 0.1 . 1 . . . . 29 C C2' . 15656 2 307 . 1 1 29 29 C C3' C 13 69.75 0.1 . 1 . . . . 29 C C3' . 15656 2 308 . 1 1 29 29 C C4 C 13 169.0 0.1 . 1 . . . . 29 C C4 . 15656 2 309 . 1 1 29 29 C C4' C 13 83.40 0.1 . 1 . . . . 29 C C4' . 15656 2 310 . 1 1 29 29 C C5 C 13 99.96 0.1 . 1 . . . . 29 C C5 . 15656 2 311 . 1 1 29 29 C N1 N 15 152.4 0.1 . 1 . . . . 29 C N1 . 15656 2 312 . 1 1 29 29 C N4 N 15 98.41 0.1 . 1 . . . . 29 C N4 . 15656 2 stop_ save_ save_assigned_chem_shift_list_25C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_25C _Assigned_chem_shift_list.Entry_ID 15656 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 15656 3 6 '2D 1H-13C HSQC' . . . 15656 3 7 '2D 1H-13C HSQC' . . . 15656 3 9 '2D DQF-COSY' . . . 15656 3 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 5.814 0.01 . 1 . . . . 1 G H1' . 15656 3 2 . 1 1 1 1 G H2' H 1 4.945 0.01 . 1 . . . . 1 G H2' . 15656 3 3 . 1 1 1 1 G H8 H 1 8.112 0.01 . 1 . . . . 1 G H8 . 15656 3 4 . 1 1 2 2 G H1' H 1 5.918 0.01 . 1 . . . . 2 G H1' . 15656 3 5 . 1 1 2 2 G H8 H 1 7.537 0.01 . 1 . . . . 2 G H8 . 15656 3 6 . 1 1 3 3 U H1' H 1 5.612 0.01 . 1 . . . . 3 U H1' . 15656 3 7 . 1 1 3 3 U H5 H 1 5.109 0.01 . 1 . . . . 3 U H5 . 15656 3 8 . 1 1 3 3 U H6 H 1 7.768 0.01 . 1 . . . . 3 U H6 . 15656 3 9 . 1 1 3 3 U C1' C 13 93.74 0.1 . 1 . . . . 3 U C1' . 15656 3 10 . 1 1 3 3 U C5 C 13 102.8 0.1 . 1 . . . . 3 U C5 . 15656 3 11 . 1 1 4 4 C H1' H 1 5.556 0.01 . 1 . . . . 4 C H1' . 15656 3 12 . 1 1 4 4 C H5 H 1 5.615 0.01 . 1 . . . . 4 C H5 . 15656 3 13 . 1 1 4 4 C H6 H 1 7.687 0.01 . 1 . . . . 4 C H6 . 15656 3 14 . 1 1 4 4 C C1' C 13 94.16 0.1 . 1 . . . . 4 C C1' . 15656 3 15 . 1 1 4 4 C C5 C 13 97.81 0.1 . 1 . . . . 4 C C5 . 15656 3 16 . 1 1 5 5 U H1' H 1 5.581 0.01 . 1 . . . . 5 U H1' . 15656 3 17 . 1 1 5 5 U H2' H 1 4.192 0.01 . 1 . . . . 5 U H2' . 15656 3 18 . 1 1 5 5 U H5 H 1 5.650 0.01 . 1 . . . . 5 U H5 . 15656 3 19 . 1 1 5 5 U H6 H 1 7.815 0.01 . 1 . . . . 5 U H6 . 15656 3 20 . 1 1 5 5 U C1' C 13 93.73 0.1 . 1 . . . . 5 U C1' . 15656 3 21 . 1 1 5 5 U C2' C 13 75.69 0.1 . 1 . . . . 5 U C2' . 15656 3 22 . 1 1 5 5 U C5 C 13 105.0 0.1 . 1 . . . . 5 U C5 . 15656 3 23 . 1 1 6 6 A H1' H 1 5.770 0.01 . 1 . . . . 6 A H1' . 15656 3 24 . 1 1 6 6 A H2 H 1 7.502 0.01 . 1 . . . . 6 A H2 . 15656 3 25 . 1 1 6 6 A H2' H 1 4.560 0.01 . 1 . . . . 6 A H2' . 15656 3 26 . 1 1 6 6 A H8 H 1 8.258 0.01 . 1 . . . . 6 A H8 . 15656 3 27 . 1 1 6 6 A C1' C 13 92.86 0.1 . 1 . . . . 6 A C1' . 15656 3 28 . 1 1 6 6 A C2' C 13 75.28 0.1 . 1 . . . . 6 A C2' . 15656 3 29 . 1 1 7 7 C H1' H 1 5.383 0.01 . 1 . . . . 7 C H1' . 15656 3 30 . 1 1 7 7 C H2' H 1 4.407 0.01 . 1 . . . . 7 C H2' . 15656 3 31 . 1 1 7 7 C H5 H 1 5.202 0.01 . 1 . . . . 7 C H5 . 15656 3 32 . 1 1 7 7 C H6 H 1 7.493 0.01 . 1 . . . . 7 C H6 . 15656 3 33 . 1 1 7 7 C C1' C 13 93.72 0.1 . 1 . . . . 7 C C1' . 15656 3 34 . 1 1 7 7 C C2' C 13 75.35 0.1 . 1 . . . . 7 C C2' . 15656 3 35 . 1 1 7 7 C C5 C 13 97.50 0.1 . 1 . . . . 7 C C5 . 15656 3 36 . 1 1 8 8 A H1' H 1 5.933 0.01 . 1 . . . . 8 A H1' . 15656 3 37 . 1 1 8 8 A H2 H 1 7.401 0.01 . 1 . . . . 8 A H2 . 15656 3 38 . 1 1 8 8 A H2' H 1 4.591 0.01 . 1 . . . . 8 A H2' . 15656 3 39 . 1 1 8 8 A H8 H 1 7.875 0.01 . 1 . . . . 8 A H8 . 15656 3 40 . 1 1 8 8 A C1' C 13 93.13 0.1 . 1 . . . . 8 A C1' . 15656 3 41 . 1 1 8 8 A C2' C 13 75.57 0.1 . 1 . . . . 8 A C2' . 15656 3 42 . 1 1 9 9 U H1' H 1 5.496 0.01 . 1 . . . . 9 U H1' . 15656 3 43 . 1 1 9 9 U H2' H 1 4.114 0.01 . 1 . . . . 9 U H2' . 15656 3 44 . 1 1 9 9 U H5 H 1 5.357 0.01 . 1 . . . . 9 U H5 . 15656 3 45 . 1 1 9 9 U H6 H 1 7.482 0.01 . 1 . . . . 9 U H6 . 15656 3 46 . 1 1 9 9 U C1' C 13 92.66 0.1 . 1 . . . . 9 U C1' . 15656 3 47 . 1 1 9 9 U C2' C 13 76.10 0.1 . 1 . . . . 9 U C2' . 15656 3 48 . 1 1 9 9 U C5 C 13 104.4 0.1 . 1 . . . . 9 U C5 . 15656 3 49 . 1 1 10 10 U H1' H 1 5.703 0.01 . 1 . . . . 10 U H1' . 15656 3 50 . 1 1 10 10 U H2' H 1 4.563 0.01 . 1 . . . . 10 U H2' . 15656 3 51 . 1 1 10 10 U H5 H 1 5.585 0.01 . 1 . . . . 10 U H5 . 15656 3 52 . 1 1 10 10 U H6 H 1 7.940 0.01 . 1 . . . . 10 U H6 . 15656 3 53 . 1 1 10 10 U C1' C 13 92.61 0.1 . 1 . . . . 10 U C1' . 15656 3 54 . 1 1 10 10 U C2' C 13 75.47 0.1 . 1 . . . . 10 U C2' . 15656 3 55 . 1 1 10 10 U C5 C 13 104.1 0.1 . 1 . . . . 10 U C5 . 15656 3 56 . 1 1 11 11 G H1' H 1 5.748 0.01 . 1 . . . . 11 G H1' . 15656 3 57 . 1 1 11 11 G H2' H 1 4.635 0.01 . 1 . . . . 11 G H2' . 15656 3 58 . 1 1 11 11 G H8 H 1 7.706 0.01 . 1 . . . . 11 G H8 . 15656 3 59 . 1 1 11 11 G C1' C 13 91.70 0.1 . 1 . . . . 11 G C1' . 15656 3 60 . 1 1 11 11 G C2' C 13 75.02 0.1 . 1 . . . . 11 G C2' . 15656 3 61 . 1 1 12 12 C H1' H 1 5.583 0.01 . 1 . . . . 12 C H1' . 15656 3 62 . 1 1 12 12 C H2' H 1 4.426 0.01 . 1 . . . . 12 C H2' . 15656 3 63 . 1 1 12 12 C H5 H 1 5.253 0.01 . 1 . . . . 12 C H5 . 15656 3 64 . 1 1 12 12 C H6 H 1 7.542 0.01 . 1 . . . . 12 C H6 . 15656 3 65 . 1 1 12 12 C C1' C 13 93.32 0.1 . 1 . . . . 12 C C1' . 15656 3 66 . 1 1 12 12 C C2' C 13 75.11 0.1 . 1 . . . . 12 C C2' . 15656 3 67 . 1 1 12 12 C C5 C 13 97.38 0.1 . 1 . . . . 12 C C5 . 15656 3 68 . 1 1 13 13 U H1' H 1 5.510 0.01 . 1 . . . . 13 U H1' . 15656 3 69 . 1 1 13 13 U H2' H 1 4.156 0.01 . 1 . . . . 13 U H2' . 15656 3 70 . 1 1 13 13 U H5 H 1 5.607 0.01 . 1 . . . . 13 U H5 . 15656 3 71 . 1 1 13 13 U H6 H 1 7.610 0.01 . 1 . . . . 13 U H6 . 15656 3 72 . 1 1 13 13 U C1' C 13 93.79 0.1 . 1 . . . . 13 U C1' . 15656 3 73 . 1 1 13 13 U C2' C 13 75.59 0.1 . 1 . . . . 13 U C2' . 15656 3 74 . 1 1 13 13 U C5 C 13 105.1 0.1 . 1 . . . . 13 U C5 . 15656 3 75 . 1 1 14 14 G H1' H 1 5.522 0.01 . 1 . . . . 14 G H1' . 15656 3 76 . 1 1 14 14 G H2' H 1 4.765 0.01 . 1 . . . . 14 G H2' . 15656 3 77 . 1 1 14 14 G H8 H 1 7.709 0.01 . 1 . . . . 14 G H8 . 15656 3 78 . 1 1 14 14 G C1' C 13 89.64 0.1 . 1 . . . . 14 G C1' . 15656 3 79 . 1 1 14 14 G C2' C 13 74.59 0.1 . 1 . . . . 14 G C2' . 15656 3 80 . 1 1 15 15 U H1' H 1 5.864 0.01 . 1 . . . . 15 U H1' . 15656 3 81 . 1 1 15 15 U H2' H 1 4.385 0.01 . 1 . . . . 15 U H2' . 15656 3 82 . 1 1 15 15 U H3' H 1 4.614 0.01 . 1 . . . . 15 U H3' . 15656 3 83 . 1 1 15 15 U H4' H 1 4.337 0.01 . 1 . . . . 15 U H4' . 15656 3 84 . 1 1 15 15 U H5 H 1 5.775 0.01 . 1 . . . . 15 U H5 . 15656 3 85 . 1 1 15 15 U H6 H 1 7.665 0.01 . 1 . . . . 15 U H6 . 15656 3 86 . 1 1 15 15 U C1' C 13 90.97 0.1 . 1 . . . . 15 U C1' . 15656 3 87 . 1 1 15 15 U C2' C 13 75.68 0.1 . 1 . . . . 15 U C2' . 15656 3 88 . 1 1 15 15 U C5 C 13 105.6 0.1 . 1 . . . . 15 U C5 . 15656 3 89 . 1 1 16 16 U H1' H 1 5.847 0.01 . 1 . . . . 16 U H1' . 15656 3 90 . 1 1 16 16 U H2' H 1 4.433 0.01 . 1 . . . . 16 U H2' . 15656 3 91 . 1 1 16 16 U H3' H 1 4.602 0.01 . 1 . . . . 16 U H3' . 15656 3 92 . 1 1 16 16 U H5 H 1 5.852 0.01 . 1 . . . . 16 U H5 . 15656 3 93 . 1 1 16 16 U H6 H 1 7.814 0.01 . 1 . . . . 16 U H6 . 15656 3 94 . 1 1 16 16 U C1' C 13 90.44 0.1 . 1 . . . . 16 U C1' . 15656 3 95 . 1 1 16 16 U C2' C 13 75.33 0.1 . 1 . . . . 16 U C2' . 15656 3 96 . 1 1 16 16 U C5 C 13 105.4 0.1 . 1 . . . . 16 U C5 . 15656 3 97 . 1 1 17 17 G H1' H 1 5.715 0.01 . 1 . . . . 17 G H1' . 15656 3 98 . 1 1 17 17 G H8 H 1 7.669 0.01 . 1 . . . . 17 G H8 . 15656 3 99 . 1 1 18 18 U H1' H 1 5.771 0.01 . 1 . . . . 18 U H1' . 15656 3 100 . 1 1 18 18 U H2' H 1 4.425 0.01 . 1 . . . . 18 U H2' . 15656 3 101 . 1 1 18 18 U H5 H 1 5.523 0.01 . 1 . . . . 18 U H5 . 15656 3 102 . 1 1 18 18 U H6 H 1 7.718 0.01 . 1 . . . . 18 U H6 . 15656 3 103 . 1 1 18 18 U C1' C 13 93.26 0.1 . 1 . . . . 18 U C1' . 15656 3 104 . 1 1 18 18 U C2' C 13 75.62 0.1 . 1 . . . . 18 U C2' . 15656 3 105 . 1 1 18 18 U C5 C 13 104.2 0.1 . 1 . . . . 18 U C5 . 15656 3 106 . 1 1 19 19 C H1' H 1 5.625 0.01 . 1 . . . . 19 C H1' . 15656 3 107 . 1 1 19 19 C H2' H 1 4.647 0.01 . 1 . . . . 19 C H2' . 15656 3 108 . 1 1 19 19 C H5 H 1 5.564 0.01 . 1 . . . . 19 C H5 . 15656 3 109 . 1 1 19 19 C H6 H 1 7.852 0.01 . 1 . . . . 19 C H6 . 15656 3 110 . 1 1 19 19 C C1' C 13 92.93 0.1 . 1 . . . . 19 C C1' . 15656 3 111 . 1 1 19 19 C C5 C 13 97.78 0.1 . 1 . . . . 19 C C5 . 15656 3 112 . 1 1 20 20 G H1' H 1 5.647 0.01 . 1 . . . . 20 G H1' . 15656 3 113 . 1 1 20 20 G H8 H 1 7.561 0.01 . 1 . . . . 20 G H8 . 15656 3 114 . 1 1 20 20 G C1' C 13 93.49 0.1 . 1 . . . . 20 G C1' . 15656 3 115 . 1 1 21 21 U H1' H 1 5.451 0.01 . 1 . . . . 21 U H1' . 15656 3 116 . 1 1 21 21 U H2' H 1 4.160 0.01 . 1 . . . . 21 U H2' . 15656 3 117 . 1 1 21 21 U H5 H 1 5.234 0.01 . 1 . . . . 21 U H5 . 15656 3 118 . 1 1 21 21 U H6 H 1 7.644 0.01 . 1 . . . . 21 U H6 . 15656 3 119 . 1 1 21 21 U C1' C 13 93.81 0.1 . 1 . . . . 21 U C1' . 15656 3 120 . 1 1 21 21 U C2' C 13 75.54 0.1 . 1 . . . . 21 U C2' . 15656 3 121 . 1 1 21 21 U C5 C 13 103.5 0.1 . 1 . . . . 21 U C5 . 15656 3 122 . 1 1 22 22 G H1' H 1 5.754 0.01 . 1 . . . . 22 G H1' . 15656 3 123 . 1 1 22 22 G H2' H 1 4.537 0.01 . 1 . . . . 22 G H2' . 15656 3 124 . 1 1 22 22 G H8 H 1 7.663 0.01 . 1 . . . . 22 G H8 . 15656 3 125 . 1 1 22 22 G C1' C 13 93.02 0.1 . 1 . . . . 22 G C1' . 15656 3 126 . 1 1 22 22 G C2' C 13 75.34 0.1 . 1 . . . . 22 G C2' . 15656 3 127 . 1 1 23 23 U H1' H 1 5.489 0.01 . 1 . . . . 23 U H1' . 15656 3 128 . 1 1 23 23 U H2' H 1 4.437 0.01 . 1 . . . . 23 U H2' . 15656 3 129 . 1 1 23 23 U H5 H 1 5.094 0.01 . 1 . . . . 23 U H5 . 15656 3 130 . 1 1 23 23 U H6 H 1 7.527 0.01 . 1 . . . . 23 U H6 . 15656 3 131 . 1 1 23 23 U C1' C 13 93.47 0.1 . 1 . . . . 23 U C1' . 15656 3 132 . 1 1 23 23 U C2' C 13 75.08 0.1 . 1 . . . . 23 U C2' . 15656 3 133 . 1 1 23 23 U C5 C 13 103.2 0.1 . 1 . . . . 23 U C5 . 15656 3 134 . 1 1 24 24 G H1' H 1 5.731 0.01 . 1 . . . . 24 G H1' . 15656 3 135 . 1 1 24 24 G H2' H 1 4.489 0.01 . 1 . . . . 24 G H2' . 15656 3 136 . 1 1 24 24 G H8 H 1 7.774 0.01 . 1 . . . . 24 G H8 . 15656 3 137 . 1 1 24 24 G C1' C 13 91.11 0.1 . 1 . . . . 24 G C1' . 15656 3 138 . 1 1 24 24 G C2' C 13 75.65 0.1 . 1 . . . . 24 G C2' . 15656 3 139 . 1 1 25 25 U H5 H 1 5.797 0.01 . 9 . . . . 25 U H5 . 15656 3 140 . 1 1 25 25 U H6 H 1 7.774 0.01 . 9 . . . . 25 U H6 . 15656 3 141 . 1 1 26 26 G H1' H 1 5.714 0.01 . 1 . . . . 26 G H1' . 15656 3 142 . 1 1 26 26 G H2' H 1 4.684 0.01 . 1 . . . . 26 G H2' . 15656 3 143 . 1 1 26 26 G H8 H 1 7.746 0.01 . 1 . . . . 26 G H8 . 15656 3 144 . 1 1 26 26 G C1' C 13 91.69 0.1 . 1 . . . . 26 G C1' . 15656 3 145 . 1 1 26 26 G C2' C 13 75.40 0.1 . 1 . . . . 26 G C2' . 15656 3 146 . 1 1 27 27 A H1' H 1 6.010 0.01 . 1 . . . . 27 A H1' . 15656 3 147 . 1 1 27 27 A H2 H 1 7.835 0.01 . 1 . . . . 27 A H2 . 15656 3 148 . 1 1 27 27 A H2' H 1 4.547 0.01 . 1 . . . . 27 A H2' . 15656 3 149 . 1 1 27 27 A H8 H 1 7.911 0.01 . 1 . . . . 27 A H8 . 15656 3 150 . 1 1 27 27 A C1' C 13 93.22 0.1 . 1 . . . . 27 A C1' . 15656 3 151 . 1 1 27 27 A C2' C 13 75.31 0.1 . 1 . . . . 27 A C2' . 15656 3 152 . 1 1 28 28 C H1' H 1 5.451 0.01 . 1 . . . . 28 C H1' . 15656 3 153 . 1 1 28 28 C H5 H 1 5.152 0.01 . 1 . . . . 28 C H5 . 15656 3 154 . 1 1 28 28 C H6 H 1 7.488 0.01 . 1 . . . . 28 C H6 . 15656 3 155 . 1 1 28 28 C C1' C 13 93.57 0.1 . 1 . . . . 28 C C1' . 15656 3 156 . 1 1 28 28 C C5 C 13 97.11 0.1 . 1 . . . . 28 C C5 . 15656 3 157 . 1 1 29 29 C H1' H 1 5.557 0.01 . 1 . . . . 29 C H1' . 15656 3 158 . 1 1 29 29 C H5 H 1 5.394 0.01 . 1 . . . . 29 C H5 . 15656 3 159 . 1 1 29 29 C H6 H 1 7.620 0.01 . 1 . . . . 29 C H6 . 15656 3 160 . 1 1 29 29 C C5 C 13 97.84 0.1 . 1 . . . . 29 C C5 . 15656 3 stop_ save_