data_6077 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6077 _Entry.Title ; Loop B RNAs from the Stem-Loop IV domain of the Enterovirus Internal Ribosome Entry Site with a Six-nucleotide Bulge AUUCCU ; _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 . . . 6077 2 N. Ulyanov . B. . 6077 3 J. Yu . . . 6077 4 T. James . L. . 6077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 89 6077 '1H chemical shifts' 407 6077 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 . 6077 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6076 'Wild type, C at residue 10' 6077 PDB 1R7Z 'BMRB Entry Tracking System' 6077 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6077 _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 . . . 6077 1 2 N. Ulyanov . B. . 6077 1 3 J. Yu . . . 6077 1 4 R. Andino . . . 6077 1 5 T. James . L. . 6077 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GUGA TETRALOOP' 6077 1 'SIX-NUCLEOTIDE BULGE' 6077 1 'STEM-AND-LOOP STRUCTURE' 6077 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 6077 _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 6077 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, U10' 1 $stem-loop_RNA . . . native . . . . . 6077 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 1R7Z . . . . . . 6077 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 6077 1 'stem-loop RNA' system 6077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_stem-loop_RNA _Entity.Sf_category entity _Entity.Sf_framecode stem-loop_RNA _Entity.Entry_ID 6077 _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 ; GGAGGACAUUCCUCACGGGU 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 'AUUCCU bulge' variant 6077 1 'RNA FRAGMENT OF DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES' common 6077 1 'stem-loop RNA' abbreviation 6077 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 . 6077 1 2 . G . 6077 1 3 . A . 6077 1 4 . G . 6077 1 5 . G . 6077 1 6 . A . 6077 1 7 . C . 6077 1 8 . A . 6077 1 9 . U . 6077 1 10 . U . 6077 1 11 . C . 6077 1 12 . C . 6077 1 13 . U . 6077 1 14 . C . 6077 1 15 . A . 6077 1 16 . C . 6077 1 17 . G . 6077 1 18 . G . 6077 1 19 . G . 6077 1 20 . U . 6077 1 21 . G . 6077 1 22 . A . 6077 1 23 . C . 6077 1 24 . C . 6077 1 25 . G . 6077 1 26 . U . 6077 1 27 . G . 6077 1 28 . G . 6077 1 29 . U . 6077 1 30 . C . 6077 1 31 . C . 6077 1 32 . U . 6077 1 33 . C . 6077 1 34 . C . 6077 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 6077 1 . G 2 2 6077 1 . A 3 3 6077 1 . G 4 4 6077 1 . G 5 5 6077 1 . A 6 6 6077 1 . C 7 7 6077 1 . A 8 8 6077 1 . U 9 9 6077 1 . U 10 10 6077 1 . C 11 11 6077 1 . C 12 12 6077 1 . U 13 13 6077 1 . C 14 14 6077 1 . A 15 15 6077 1 . C 16 16 6077 1 . G 17 17 6077 1 . G 18 18 6077 1 . G 19 19 6077 1 . U 20 20 6077 1 . G 21 21 6077 1 . A 22 22 6077 1 . C 23 23 6077 1 . C 24 24 6077 1 . G 25 25 6077 1 . U 26 26 6077 1 . G 27 27 6077 1 . G 28 28 6077 1 . U 29 29 6077 1 . C 30 30 6077 1 . C 31 31 6077 1 . U 32 32 6077 1 . C 33 33 6077 1 . C 34 34 6077 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 6077 _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 . . . . . . . . . . . . . . . . . . . . . 6077 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 6077 _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.' . . 6077 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6077 _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 . . . . 6077 1 2 NaCl . . . . . . . 25 . . mM . . . . 6077 1 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6077 1 4 H2O . . . . . . . 90 . . % . . . . 6077 1 5 D2O . . . . . . . 10 . . % . . . . 6077 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6077 _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 . . . . 6077 2 2 NaCl . . . . . . . 25 . . mM . . . . 6077 2 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6077 2 4 D2O . . . . . . . 100 . . % . . . . 6077 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6077 _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]-A, U' . . 1 $stem-loop_RNA . . . 1.0 2.0 mM . . . . 6077 3 2 NaCl . . . . . . . 25 . . mM . . . . 6077 3 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6077 3 4 D2O . . . . . . . 100 . . % . . . . 6077 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6077 _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 . . . . 6077 4 2 NaCl . . . . . . . 25 . . mM . . . . 6077 4 3 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6077 4 4 D2O . . . . . . . 100 . . % . . . . 6077 4 5 'C12E6/N-HEXANOL MIXTURE (MOLAR RATIO 0.64)' . . . . . . . 5 . . % . . . . 6077 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6077 _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 6077 1 pH* 6.5 . n/a 6077 1 pressure 1 . atm 6077 1 temperature 298 . K 6077 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 6077 _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 6077 2 pH* 6.5 . n/a 6077 2 pressure 1 . atm 6077 2 temperature 278 . K 6077 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6077 _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 6077 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6077 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details F.Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6077 2 stop_ save_ save_MARDIGRAS _Software.Sf_category software _Software.Sf_framecode MARDIGRAS _Software.Entry_ID 6077 _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' 6077 3 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6077 _Software.ID 4 _Software.Name DYANA _Software.Version 1.5 _Software.Details P.Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6077 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6077 _Software.ID 5 _Software.Name AMBER _Software.Version 7 _Software.Details D.A.Case loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6077 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 6077 _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 6077 _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 . . . 6077 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 6077 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6077 1 2 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6077 1 3 '1H-13C CONSTANT TIME HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6077 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 6077 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6077 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6077 _NMR_spec_expt.ID 3 _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 6077 _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 . . . . . . . . . 6077 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6077 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 6077 _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 . 6077 1 . . 3 $sample_3 . 6077 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 C8 C 13 139.186 0.120 . 1 . . . . . . . . 6077 1 2 . 1 1 1 1 G H1' H 1 5.848 0.003 . 1 . . . . . . . . 6077 1 3 . 1 1 1 1 G H2' H 1 4.952 0.003 . 1 . . . . . . . . 6077 1 4 . 1 1 1 1 G H3' H 1 4.726 0.005 . 1 . . . . . . . . 6077 1 5 . 1 1 1 1 G H4' H 1 4.576 0.005 . 1 . . . . . . . . 6077 1 6 . 1 1 1 1 G H5'' H 1 4.278 0.005 . 1 . . . . . . . . 6077 1 7 . 1 1 1 1 G H5' H 1 4.441 0.005 . 1 . . . . . . . . 6077 1 8 . 1 1 1 1 G H8 H 1 8.162 0.003 . 1 . . . . . . . . 6077 1 9 . 1 1 2 2 G C8 C 13 137.055 0.120 . 1 . . . . . . . . 6077 1 10 . 1 1 2 2 G H1' H 1 5.917 0.003 . 1 . . . . . . . . 6077 1 11 . 1 1 2 2 G H2' H 1 4.679 0.005 . 1 . . . . . . . . 6077 1 12 . 1 1 2 2 G H3' H 1 4.619 0.005 . 1 . . . . . . . . 6077 1 13 . 1 1 2 2 G H4' H 1 4.575 0.005 . 1 . . . . . . . . 6077 1 14 . 1 1 2 2 G H5'' H 1 4.518 0.005 . 1 . . . . . . . . 6077 1 15 . 1 1 2 2 G H5' H 1 4.262 0.005 . 1 . . . . . . . . 6077 1 16 . 1 1 2 2 G H8 H 1 7.542 0.003 . 1 . . . . . . . . 6077 1 17 . 1 1 3 3 A C1' C 13 93.158 0.120 . 1 . . . . . . . . 6077 1 18 . 1 1 3 3 A C2 C 13 153.530 0.120 . 1 . . . . . . . . 6077 1 19 . 1 1 3 3 A C2' C 13 76.078 0.120 . 1 . . . . . . . . 6077 1 20 . 1 1 3 3 A C3' C 13 72.919 0.120 . 1 . . . . . . . . 6077 1 21 . 1 1 3 3 A C8 C 13 139.347 0.120 . 1 . . . . . . . . 6077 1 22 . 1 1 3 3 A H1' H 1 6.002 0.003 . 1 . . . . . . . . 6077 1 23 . 1 1 3 3 A H2 H 1 7.468 0.003 . 1 . . . . . . . . 6077 1 24 . 1 1 3 3 A H2' H 1 4.691 0.005 . 1 . . . . . . . . 6077 1 25 . 1 1 3 3 A H3' H 1 4.663 0.006 . 1 . . . . . . . . 6077 1 26 . 1 1 3 3 A H4' H 1 4.523 0.005 . 1 . . . . . . . . 6077 1 27 . 1 1 3 3 A H5' H 1 4.163 0.005 . 1 . . . . . . . . 6077 1 28 . 1 1 3 3 A H8 H 1 7.755 0.006 . 1 . . . . . . . . 6077 1 29 . 1 1 4 4 G C8 C 13 135.748 0.120 . 1 . . . . . . . . 6077 1 30 . 1 1 4 4 G H1' H 1 5.627 0.003 . 1 . . . . . . . . 6077 1 31 . 1 1 4 4 G H2' H 1 4.554 0.003 . 1 . . . . . . . . 6077 1 32 . 1 1 4 4 G H3' H 1 4.406 0.005 . 1 . . . . . . . . 6077 1 33 . 1 1 4 4 G H4' H 1 4.456 0.005 . 1 . . . . . . . . 6077 1 34 . 1 1 4 4 G H5'' H 1 4.423 0.005 . 1 . . . . . . . . 6077 1 35 . 1 1 4 4 G H5' H 1 4.048 0.005 . 1 . . . . . . . . 6077 1 36 . 1 1 4 4 G H8 H 1 7.068 0.003 . 1 . . . . . . . . 6077 1 37 . 1 1 5 5 G H1' H 1 5.712 0.003 . 1 . . . . . . . . 6077 1 38 . 1 1 5 5 G H2' H 1 4.556 0.005 . 1 . . . . . . . . 6077 1 39 . 1 1 5 5 G H3' H 1 4.478 0.005 . 1 . . . . . . . . 6077 1 40 . 1 1 5 5 G H5' H 1 4.051 0.005 . 1 . . . . . . . . 6077 1 41 . 1 1 5 5 G H8 H 1 7.151 0.003 . 1 . . . . . . . . 6077 1 42 . 1 1 6 6 A C1' C 13 93.090 0.120 . 1 . . . . . . . . 6077 1 43 . 1 1 6 6 A C2 C 13 154.252 0.120 . 1 . . . . . . . . 6077 1 44 . 1 1 6 6 A C2' C 13 75.940 0.120 . 1 . . . . . . . . 6077 1 45 . 1 1 6 6 A C8 C 13 139.380 0.120 . 1 . . . . . . . . 6077 1 46 . 1 1 6 6 A H1' H 1 5.987 0.003 . 1 . . . . . . . . 6077 1 47 . 1 1 6 6 A H2 H 1 7.809 0.003 . 1 . . . . . . . . 6077 1 48 . 1 1 6 6 A H2' H 1 4.585 0.005 . 1 . . . . . . . . 6077 1 49 . 1 1 6 6 A H3' H 1 4.592 0.005 . 1 . . . . . . . . 6077 1 50 . 1 1 6 6 A H4' H 1 4.480 0.005 . 1 . . . . . . . . 6077 1 51 . 1 1 6 6 A H5' H 1 4.105 0.005 . 1 . . . . . . . . 6077 1 52 . 1 1 6 6 A H8 H 1 7.795 0.004 . 1 . . . . . . . . 6077 1 53 . 1 1 7 7 C C1' C 13 93.709 0.120 . 1 . . . . . . . . 6077 1 54 . 1 1 7 7 C C5 C 13 97.676 0.120 . 1 . . . . . . . . 6077 1 55 . 1 1 7 7 C H1' H 1 5.325 0.003 . 1 . . . . . . . . 6077 1 56 . 1 1 7 7 C H2' H 1 4.434 0.003 . 1 . . . . . . . . 6077 1 57 . 1 1 7 7 C H3' H 1 4.285 0.003 . 1 . . . . . . . . 6077 1 58 . 1 1 7 7 C H4' H 1 4.383 0.005 . 1 . . . . . . . . 6077 1 59 . 1 1 7 7 C H5 H 1 5.185 0.003 . 1 . . . . . . . . 6077 1 60 . 1 1 7 7 C H5'' H 1 4.484 0.005 . 1 . . . . . . . . 6077 1 61 . 1 1 7 7 C H5' H 1 4.029 0.005 . 1 . . . . . . . . 6077 1 62 . 1 1 7 7 C H6 H 1 7.248 0.003 . 1 . . . . . . . . 6077 1 63 . 1 1 8 8 A C1' C 13 93.338 0.120 . 1 . . . . . . . . 6077 1 64 . 1 1 8 8 A C2 C 13 154.185 0.215 . 1 . . . . . . . . 6077 1 65 . 1 1 8 8 A C2' C 13 76.032 0.120 . 1 . . . . . . . . 6077 1 66 . 1 1 8 8 A C3' C 13 73.442 0.120 . 1 . . . . . . . . 6077 1 67 . 1 1 8 8 A C4' C 13 82.895 0.120 . 1 . . . . . . . . 6077 1 68 . 1 1 8 8 A C5' C 13 65.694 0.120 . 1 . . . . . . . . 6077 1 69 . 1 1 8 8 A C8 C 13 139.727 0.120 . 1 . . . . . . . . 6077 1 70 . 1 1 8 8 A H1' H 1 5.905 0.003 . 1 . . . . . . . . 6077 1 71 . 1 1 8 8 A H2 H 1 7.256 0.003 . 1 . . . . . . . . 6077 1 72 . 1 1 8 8 A H2' H 1 4.320 0.003 . 1 . . . . . . . . 6077 1 73 . 1 1 8 8 A H3' H 1 4.406 0.005 . 1 . . . . . . . . 6077 1 74 . 1 1 8 8 A H4' H 1 4.409 0.005 . 1 . . . . . . . . 6077 1 75 . 1 1 8 8 A H5'' H 1 4.415 0.005 . 1 . . . . . . . . 6077 1 76 . 1 1 8 8 A H5' H 1 4.043 0.005 . 1 . . . . . . . . 6077 1 77 . 1 1 8 8 A H8 H 1 7.879 0.003 . 1 . . . . . . . . 6077 1 78 . 1 1 9 9 U C1' C 13 91.546 0.120 . 1 . . . . . . . . 6077 1 79 . 1 1 9 9 U C2' C 13 76.143 0.120 . 1 . . . . . . . . 6077 1 80 . 1 1 9 9 U C4' C 13 84.182 0.120 . 1 . . . . . . . . 6077 1 81 . 1 1 9 9 U C5 C 13 104.309 0.120 . 1 . . . . . . . . 6077 1 82 . 1 1 9 9 U C5' C 13 66.166 0.120 . 1 . . . . . . . . 6077 1 83 . 1 1 9 9 U C6 C 13 141.781 0.120 . 1 . . . . . . . . 6077 1 84 . 1 1 9 9 U H1' H 1 5.431 0.003 . 1 . . . . . . . . 6077 1 85 . 1 1 9 9 U H2' H 1 4.024 0.003 . 1 . . . . . . . . 6077 1 86 . 1 1 9 9 U H3' H 1 4.396 0.003 . 1 . . . . . . . . 6077 1 87 . 1 1 9 9 U H4' H 1 4.240 0.004 . 1 . . . . . . . . 6077 1 88 . 1 1 9 9 U H5 H 1 5.250 0.003 . 1 . . . . . . . . 6077 1 89 . 1 1 9 9 U H5'' H 1 4.249 0.006 . 1 . . . . . . . . 6077 1 90 . 1 1 9 9 U H5' H 1 3.944 0.003 . 1 . . . . . . . . 6077 1 91 . 1 1 9 9 U H6 H 1 7.372 0.003 . 1 . . . . . . . . 6077 1 92 . 1 1 10 10 U C1' C 13 91.831 0.120 . 1 . . . . . . . . 6077 1 93 . 1 1 10 10 U C2' C 13 75.641 0.120 . 1 . . . . . . . . 6077 1 94 . 1 1 10 10 U C4' C 13 84.811 0.120 . 1 . . . . . . . . 6077 1 95 . 1 1 10 10 U C5 C 13 105.141 0.120 . 1 . . . . . . . . 6077 1 96 . 1 1 10 10 U C5' C 13 67.436 0.120 . 1 . . . . . . . . 6077 1 97 . 1 1 10 10 U C6 C 13 143.671 0.120 . 1 . . . . . . . . 6077 1 98 . 1 1 10 10 U H1' H 1 5.775 0.008 . 1 . . . . . . . . 6077 1 99 . 1 1 10 10 U H2' H 1 4.301 0.003 . 1 . . . . . . . . 6077 1 100 . 1 1 10 10 U H3' H 1 4.463 0.003 . 1 . . . . . . . . 6077 1 101 . 1 1 10 10 U H4' H 1 4.316 0.005 . 1 . . . . . . . . 6077 1 102 . 1 1 10 10 U H5 H 1 5.706 0.003 . 1 . . . . . . . . 6077 1 103 . 1 1 10 10 U H5'' H 1 4.108 0.005 . 1 . . . . . . . . 6077 1 104 . 1 1 10 10 U H5' H 1 3.980 0.005 . 1 . . . . . . . . 6077 1 105 . 1 1 10 10 U H6 H 1 7.708 0.003 . 1 . . . . . . . . 6077 1 106 . 1 1 11 11 C C5 C 13 141.052 0.120 . 1 . . . . . . . . 6077 1 107 . 1 1 11 11 C C6 C 13 143.873 0.120 . 1 . . . . . . . . 6077 1 108 . 1 1 11 11 C H1' H 1 5.782 0.003 . 1 . . . . . . . . 6077 1 109 . 1 1 11 11 C H2' H 1 4.342 0.003 . 1 . . . . . . . . 6077 1 110 . 1 1 11 11 C H3' H 1 4.486 0.005 . 1 . . . . . . . . 6077 1 111 . 1 1 11 11 C H5 H 1 5.932 0.003 . 1 . . . . . . . . 6077 1 112 . 1 1 11 11 C H6 H 1 7.810 0.003 . 1 . . . . . . . . 6077 1 113 . 1 1 12 12 C C5 C 13 140.942 0.120 . 1 . . . . . . . . 6077 1 114 . 1 1 12 12 C C6 C 13 143.627 0.120 . 1 . . . . . . . . 6077 1 115 . 1 1 12 12 C H1' H 1 5.731 0.003 . 1 . . . . . . . . 6077 1 116 . 1 1 12 12 C H2' H 1 4.256 0.003 . 1 . . . . . . . . 6077 1 117 . 1 1 12 12 C H3' H 1 4.525 0.005 . 1 . . . . . . . . 6077 1 118 . 1 1 12 12 C H4' H 1 4.251 0.005 . 1 . . . . . . . . 6077 1 119 . 1 1 12 12 C H5 H 1 5.873 0.003 . 1 . . . . . . . . 6077 1 120 . 1 1 12 12 C H5' H 1 4.058 0.005 . 1 . . . . . . . . 6077 1 121 . 1 1 12 12 C H6 H 1 7.745 0.003 . 1 . . . . . . . . 6077 1 122 . 1 1 13 13 U C1' C 13 93.337 0.120 . 1 . . . . . . . . 6077 1 123 . 1 1 13 13 U C4' C 13 84.235 0.120 . 1 . . . . . . . . 6077 1 124 . 1 1 13 13 U C5 C 13 105.325 0.120 . 1 . . . . . . . . 6077 1 125 . 1 1 13 13 U C5' C 13 66.859 0.120 . 1 . . . . . . . . 6077 1 126 . 1 1 13 13 U C6 C 13 143.034 0.207 . 1 . . . . . . . . 6077 1 127 . 1 1 13 13 U H1' H 1 5.900 0.003 . 1 . . . . . . . . 6077 1 128 . 1 1 13 13 U H2' H 1 4.465 0.003 . 1 . . . . . . . . 6077 1 129 . 1 1 13 13 U H3' H 1 4.452 0.005 . 1 . . . . . . . . 6077 1 130 . 1 1 13 13 U H4' H 1 4.546 0.015 . 1 . . . . . . . . 6077 1 131 . 1 1 13 13 U H5 H 1 5.831 0.006 . 1 . . . . . . . . 6077 1 132 . 1 1 13 13 U H5'' H 1 4.334 0.005 . 1 . . . . . . . . 6077 1 133 . 1 1 13 13 U H5' H 1 4.120 0.005 . 1 . . . . . . . . 6077 1 134 . 1 1 13 13 U H6 H 1 7.873 0.003 . 1 . . . . . . . . 6077 1 135 . 1 1 14 14 C C5 C 13 99.162 0.120 . 1 . . . . . . . . 6077 1 136 . 1 1 14 14 C H1' H 1 5.557 0.003 . 1 . . . . . . . . 6077 1 137 . 1 1 14 14 C H2' H 1 4.555 0.003 . 1 . . . . . . . . 6077 1 138 . 1 1 14 14 C H3' H 1 4.706 0.005 . 1 . . . . . . . . 6077 1 139 . 1 1 14 14 C H5 H 1 6.061 0.003 . 1 . . . . . . . . 6077 1 140 . 1 1 14 14 C H5'' H 1 4.554 0.005 . 1 . . . . . . . . 6077 1 141 . 1 1 14 14 C H5' H 1 4.117 0.005 . 1 . . . . . . . . 6077 1 142 . 1 1 14 14 C H6 H 1 8.123 0.003 . 1 . . . . . . . . 6077 1 143 . 1 1 15 15 A C1' C 13 93.013 0.120 . 1 . . . . . . . . 6077 1 144 . 1 1 15 15 A C2 C 13 153.726 0.120 . 1 . . . . . . . . 6077 1 145 . 1 1 15 15 A C2' C 13 75.987 0.120 . 1 . . . . . . . . 6077 1 146 . 1 1 15 15 A C3' C 13 72.840 0.120 . 1 . . . . . . . . 6077 1 147 . 1 1 15 15 A C8 C 13 140.017 0.120 . 1 . . . . . . . . 6077 1 148 . 1 1 15 15 A H1' H 1 6.043 0.003 . 1 . . . . . . . . 6077 1 149 . 1 1 15 15 A H2 H 1 7.611 0.006 . 1 . . . . . . . . 6077 1 150 . 1 1 15 15 A H2' H 1 4.561 0.005 . 1 . . . . . . . . 6077 1 151 . 1 1 15 15 A H3' H 1 4.833 0.005 . 1 . . . . . . . . 6077 1 152 . 1 1 15 15 A H4' H 1 4.552 0.005 . 1 . . . . . . . . 6077 1 153 . 1 1 15 15 A H5'' H 1 4.640 0.005 . 1 . . . . . . . . 6077 1 154 . 1 1 15 15 A H5' H 1 4.243 0.005 . 1 . . . . . . . . 6077 1 155 . 1 1 15 15 A H8 H 1 8.309 0.003 . 1 . . . . . . . . 6077 1 156 . 1 1 16 16 C C5 C 13 97.651 0.120 . 1 . . . . . . . . 6077 1 157 . 1 1 16 16 C H1' H 1 5.513 0.003 . 1 . . . . . . . . 6077 1 158 . 1 1 16 16 C H2' H 1 4.382 0.003 . 1 . . . . . . . . 6077 1 159 . 1 1 16 16 C H3' H 1 4.448 0.005 . 1 . . . . . . . . 6077 1 160 . 1 1 16 16 C H4' H 1 4.433 0.005 . 1 . . . . . . . . 6077 1 161 . 1 1 16 16 C H5 H 1 5.314 0.003 . 1 . . . . . . . . 6077 1 162 . 1 1 16 16 C H5' H 1 4.120 0.005 . 1 . . . . . . . . 6077 1 163 . 1 1 16 16 C H6 H 1 7.611 0.003 . 1 . . . . . . . . 6077 1 164 . 1 1 17 17 G C8 C 13 135.997 0.120 . 1 . . . . . . . . 6077 1 165 . 1 1 17 17 G H1' H 1 5.754 0.003 . 1 . . . . . . . . 6077 1 166 . 1 1 17 17 G H2' H 1 4.503 0.005 . 1 . . . . . . . . 6077 1 167 . 1 1 17 17 G H3' H 1 4.628 0.006 . 1 . . . . . . . . 6077 1 168 . 1 1 17 17 G H4' H 1 4.389 0.005 . 1 . . . . . . . . 6077 1 169 . 1 1 17 17 G H5' H 1 4.123 0.005 . 1 . . . . . . . . 6077 1 170 . 1 1 17 17 G H8 H 1 7.537 0.003 . 1 . . . . . . . . 6077 1 171 . 1 1 18 18 G H1' H 1 5.776 0.005 . 1 . . . . . . . . 6077 1 172 . 1 1 18 18 G H2' H 1 4.571 0.005 . 1 . . . . . . . . 6077 1 173 . 1 1 18 18 G H3' H 1 4.454 0.005 . 1 . . . . . . . . 6077 1 174 . 1 1 18 18 G H5' H 1 4.109 0.005 . 1 . . . . . . . . 6077 1 175 . 1 1 18 18 G H8 H 1 7.186 0.003 . 1 . . . . . . . . 6077 1 176 . 1 1 19 19 G H1' H 1 5.763 0.003 . 1 . . . . . . . . 6077 1 177 . 1 1 19 19 G H2' H 1 4.407 0.005 . 1 . . . . . . . . 6077 1 178 . 1 1 19 19 G H4' H 1 4.346 0.005 . 1 . . . . . . . . 6077 1 179 . 1 1 19 19 G H5'' H 1 4.410 0.005 . 1 . . . . . . . . 6077 1 180 . 1 1 19 19 G H5' H 1 4.076 0.005 . 1 . . . . . . . . 6077 1 181 . 1 1 19 19 G H8 H 1 7.173 0.003 . 1 . . . . . . . . 6077 1 182 . 1 1 20 20 U C1' C 13 92.601 0.239 . 1 . . . . . . . . 6077 1 183 . 1 1 20 20 U C2' C 13 76.066 0.120 . 1 . . . . . . . . 6077 1 184 . 1 1 20 20 U C3' C 13 73.344 0.120 . 1 . . . . . . . . 6077 1 185 . 1 1 20 20 U C4' C 13 83.510 0.120 . 1 . . . . . . . . 6077 1 186 . 1 1 20 20 U C5 C 13 104.143 0.120 . 1 . . . . . . . . 6077 1 187 . 1 1 20 20 U C5' C 13 64.842 0.120 . 1 . . . . . . . . 6077 1 188 . 1 1 20 20 U C6 C 13 143.013 0.120 . 1 . . . . . . . . 6077 1 189 . 1 1 20 20 U H1' H 1 5.439 0.008 . 1 . . . . . . . . 6077 1 190 . 1 1 20 20 U H2' H 1 4.363 0.003 . 1 . . . . . . . . 6077 1 191 . 1 1 20 20 U H3' H 1 4.160 0.010 . 1 . . . . . . . . 6077 1 192 . 1 1 20 20 U H4' H 1 4.084 0.007 . 1 . . . . . . . . 6077 1 193 . 1 1 20 20 U H5 H 1 5.440 0.003 . 1 . . . . . . . . 6077 1 194 . 1 1 20 20 U H5'' H 1 4.168 0.005 . 1 . . . . . . . . 6077 1 195 . 1 1 20 20 U H5' H 1 3.842 0.004 . 1 . . . . . . . . 6077 1 196 . 1 1 20 20 U H6 H 1 7.745 0.003 . 1 . . . . . . . . 6077 1 197 . 1 1 21 21 G H1' H 1 5.482 0.003 . 1 . . . . . . . . 6077 1 198 . 1 1 21 21 G H2' H 1 4.325 0.003 . 1 . . . . . . . . 6077 1 199 . 1 1 21 21 G H3' H 1 4.658 0.003 . 1 . . . . . . . . 6077 1 200 . 1 1 21 21 G H4' H 1 4.298 0.005 . 1 . . . . . . . . 6077 1 201 . 1 1 21 21 G H5'' H 1 3.949 0.005 . 1 . . . . . . . . 6077 1 202 . 1 1 21 21 G H5' H 1 4.088 0.005 . 1 . . . . . . . . 6077 1 203 . 1 1 21 21 G H8 H 1 7.783 0.003 . 1 . . . . . . . . 6077 1 204 . 1 1 22 22 A C1' C 13 91.764 0.120 . 1 . . . . . . . . 6077 1 205 . 1 1 22 22 A C2 C 13 155.834 0.189 . 1 . . . . . . . . 6077 1 206 . 1 1 22 22 A C2' C 13 77.057 0.120 . 1 . . . . . . . . 6077 1 207 . 1 1 22 22 A C3' C 13 73.551 0.120 . 1 . . . . . . . . 6077 1 208 . 1 1 22 22 A C4' C 13 82.825 0.120 . 1 . . . . . . . . 6077 1 209 . 1 1 22 22 A C5' C 13 65.832 0.120 . 1 . . . . . . . . 6077 1 210 . 1 1 22 22 A C8 C 13 140.773 0.120 . 1 . . . . . . . . 6077 1 211 . 1 1 22 22 A H1' H 1 6.139 0.003 . 1 . . . . . . . . 6077 1 212 . 1 1 22 22 A H2 H 1 8.258 0.004 . 1 . . . . . . . . 6077 1 213 . 1 1 22 22 A H2' H 1 4.539 0.007 . 1 . . . . . . . . 6077 1 214 . 1 1 22 22 A H3' H 1 4.977 0.004 . 1 . . . . . . . . 6077 1 215 . 1 1 22 22 A H4' H 1 4.475 0.003 . 1 . . . . . . . . 6077 1 216 . 1 1 22 22 A H5'' H 1 4.552 0.013 . 1 . . . . . . . . 6077 1 217 . 1 1 22 22 A H5' H 1 4.272 0.011 . 1 . . . . . . . . 6077 1 218 . 1 1 22 22 A H8 H 1 8.296 0.003 . 1 . . . . . . . . 6077 1 219 . 1 1 23 23 C C5 C 13 99.383 0.120 . 1 . . . . . . . . 6077 1 220 . 1 1 23 23 C H1' H 1 3.958 0.023 . 1 . . . . . . . . 6077 1 221 . 1 1 23 23 C H2' H 1 4.362 0.005 . 1 . . . . . . . . 6077 1 222 . 1 1 23 23 C H3' H 1 4.075 0.005 . 1 . . . . . . . . 6077 1 223 . 1 1 23 23 C H4' H 1 4.214 0.005 . 1 . . . . . . . . 6077 1 224 . 1 1 23 23 C H5 H 1 6.084 0.004 . 1 . . . . . . . . 6077 1 225 . 1 1 23 23 C H5'' H 1 4.293 0.005 . 1 . . . . . . . . 6077 1 226 . 1 1 23 23 C H5' H 1 4.211 0.005 . 1 . . . . . . . . 6077 1 227 . 1 1 23 23 C H6 H 1 7.900 0.003 . 1 . . . . . . . . 6077 1 228 . 1 1 24 24 C C6 C 13 141.065 0.120 . 1 . . . . . . . . 6077 1 229 . 1 1 24 24 C H1' H 1 5.531 0.005 . 1 . . . . . . . . 6077 1 230 . 1 1 24 24 C H2' H 1 4.598 0.005 . 1 . . . . . . . . 6077 1 231 . 1 1 24 24 C H5 H 1 5.645 0.003 . 1 . . . . . . . . 6077 1 232 . 1 1 24 24 C H6 H 1 7.778 0.003 . 1 . . . . . . . . 6077 1 233 . 1 1 25 25 G C8 C 13 136.375 0.120 . 1 . . . . . . . . 6077 1 234 . 1 1 25 25 G H1' H 1 5.728 0.003 . 1 . . . . . . . . 6077 1 235 . 1 1 25 25 G H2' H 1 4.516 0.005 . 1 . . . . . . . . 6077 1 236 . 1 1 25 25 G H5'' H 1 4.559 0.005 . 1 . . . . . . . . 6077 1 237 . 1 1 25 25 G H5' H 1 4.118 0.005 . 1 . . . . . . . . 6077 1 238 . 1 1 25 25 G H8 H 1 7.635 0.003 . 1 . . . . . . . . 6077 1 239 . 1 1 26 26 U C1' C 13 93.949 0.120 . 1 . . . . . . . . 6077 1 240 . 1 1 26 26 U C2' C 13 75.714 0.120 . 1 . . . . . . . . 6077 1 241 . 1 1 26 26 U C5 C 13 103.372 0.120 . 1 . . . . . . . . 6077 1 242 . 1 1 26 26 U C6 C 13 140.966 0.120 . 1 . . . . . . . . 6077 1 243 . 1 1 26 26 U H1' H 1 5.543 0.003 . 1 . . . . . . . . 6077 1 244 . 1 1 26 26 U H2' H 1 4.362 0.005 . 1 . . . . . . . . 6077 1 245 . 1 1 26 26 U H3' H 1 4.580 0.005 . 1 . . . . . . . . 6077 1 246 . 1 1 26 26 U H4' H 1 4.442 0.005 . 1 . . . . . . . . 6077 1 247 . 1 1 26 26 U H5 H 1 5.160 0.004 . 1 . . . . . . . . 6077 1 248 . 1 1 26 26 U H5' H 1 4.122 0.005 . 1 . . . . . . . . 6077 1 249 . 1 1 26 26 U H6 H 1 7.747 0.004 . 1 . . . . . . . . 6077 1 250 . 1 1 27 27 G C1' C 13 90.247 0.120 . 1 . . . . . . . . 6077 1 251 . 1 1 27 27 G H1' H 1 6.016 0.003 . 1 . . . . . . . . 6077 1 252 . 1 1 27 27 G H2' H 1 4.353 0.003 . 1 . . . . . . . . 6077 1 253 . 1 1 27 27 G H3' H 1 4.820 0.003 . 1 . . . . . . . . 6077 1 254 . 1 1 27 27 G H4' H 1 4.564 0.005 . 1 . . . . . . . . 6077 1 255 . 1 1 27 27 G H5'' H 1 4.518 0.005 . 1 . . . . . . . . 6077 1 256 . 1 1 27 27 G H5' H 1 4.185 0.005 . 1 . . . . . . . . 6077 1 257 . 1 1 27 27 G H8 H 1 7.790 0.003 . 1 . . . . . . . . 6077 1 258 . 1 1 28 28 G C8 C 13 138.731 0.120 . 1 . . . . . . . . 6077 1 259 . 1 1 28 28 G H1' H 1 5.851 0.003 . 1 . . . . . . . . 6077 1 260 . 1 1 28 28 G H2' H 1 4.735 0.003 . 1 . . . . . . . . 6077 1 261 . 1 1 28 28 G H3' H 1 4.583 0.005 . 1 . . . . . . . . 6077 1 262 . 1 1 28 28 G H4' H 1 4.556 0.005 . 1 . . . . . . . . 6077 1 263 . 1 1 28 28 G H5'' H 1 4.442 0.005 . 1 . . . . . . . . 6077 1 264 . 1 1 28 28 G H5' H 1 4.220 0.005 . 1 . . . . . . . . 6077 1 265 . 1 1 28 28 G H8 H 1 8.075 0.003 . 1 . . . . . . . . 6077 1 266 . 1 1 29 29 U C1' C 13 94.081 0.120 . 1 . . . . . . . . 6077 1 267 . 1 1 29 29 U C2' C 13 75.562 0.120 . 1 . . . . . . . . 6077 1 268 . 1 1 29 29 U C4' C 13 82.599 0.120 . 1 . . . . . . . . 6077 1 269 . 1 1 29 29 U C5 C 13 102.636 0.120 . 1 . . . . . . . . 6077 1 270 . 1 1 29 29 U C6 C 13 142.705 0.120 . 1 . . . . . . . . 6077 1 271 . 1 1 29 29 U H1' H 1 5.640 0.003 . 1 . . . . . . . . 6077 1 272 . 1 1 29 29 U H2' H 1 4.601 0.003 . 1 . . . . . . . . 6077 1 273 . 1 1 29 29 U H3' H 1 4.511 0.005 . 1 . . . . . . . . 6077 1 274 . 1 1 29 29 U H4' H 1 4.504 0.005 . 1 . . . . . . . . 6077 1 275 . 1 1 29 29 U H5 H 1 5.162 0.005 . 1 . . . . . . . . 6077 1 276 . 1 1 29 29 U H6 H 1 7.885 0.008 . 1 . . . . . . . . 6077 1 277 . 1 1 30 30 C C5 C 13 97.908 0.120 . 1 . . . . . . . . 6077 1 278 . 1 1 30 30 C H1' H 1 5.601 0.003 . 1 . . . . . . . . 6077 1 279 . 1 1 30 30 C H2' H 1 4.421 0.005 . 1 . . . . . . . . 6077 1 280 . 1 1 30 30 C H3' H 1 4.419 0.005 . 1 . . . . . . . . 6077 1 281 . 1 1 30 30 C H4' H 1 4.473 0.005 . 1 . . . . . . . . 6077 1 282 . 1 1 30 30 C H5 H 1 5.691 0.003 . 1 . . . . . . . . 6077 1 283 . 1 1 30 30 C H5' H 1 4.131 0.005 . 1 . . . . . . . . 6077 1 284 . 1 1 30 30 C H6 H 1 7.884 0.003 . 1 . . . . . . . . 6077 1 285 . 1 1 31 31 C C1' C 13 94.342 0.120 . 1 . . . . . . . . 6077 1 286 . 1 1 31 31 C C5 C 13 97.831 0.120 . 1 . . . . . . . . 6077 1 287 . 1 1 31 31 C C6 C 13 141.587 0.120 . 1 . . . . . . . . 6077 1 288 . 1 1 31 31 C H1' H 1 5.448 0.003 . 1 . . . . . . . . 6077 1 289 . 1 1 31 31 C H2' H 1 4.372 0.005 . 1 . . . . . . . . 6077 1 290 . 1 1 31 31 C H3' H 1 4.473 0.005 . 1 . . . . . . . . 6077 1 291 . 1 1 31 31 C H4' H 1 4.421 0.005 . 1 . . . . . . . . 6077 1 292 . 1 1 31 31 C H5 H 1 5.550 0.003 . 1 . . . . . . . . 6077 1 293 . 1 1 31 31 C H5'' H 1 4.579 0.005 . 1 . . . . . . . . 6077 1 294 . 1 1 31 31 C H5' H 1 4.086 0.005 . 1 . . . . . . . . 6077 1 295 . 1 1 31 31 C H6 H 1 7.809 0.003 . 1 . . . . . . . . 6077 1 296 . 1 1 32 32 U C1' C 13 94.118 0.120 . 1 . . . . . . . . 6077 1 297 . 1 1 32 32 U C5 C 13 103.292 0.120 . 1 . . . . . . . . 6077 1 298 . 1 1 32 32 U C6 C 13 142.612 0.120 . 1 . . . . . . . . 6077 1 299 . 1 1 32 32 U H1' H 1 5.526 0.003 . 1 . . . . . . . . 6077 1 300 . 1 1 32 32 U H2' H 1 4.503 0.003 . 1 . . . . . . . . 6077 1 301 . 1 1 32 32 U H3' H 1 4.553 0.005 . 1 . . . . . . . . 6077 1 302 . 1 1 32 32 U H4' H 1 4.449 0.005 . 1 . . . . . . . . 6077 1 303 . 1 1 32 32 U H5 H 1 5.408 0.003 . 1 . . . . . . . . 6077 1 304 . 1 1 32 32 U H5'' H 1 4.599 0.005 . 1 . . . . . . . . 6077 1 305 . 1 1 32 32 U H5' H 1 4.087 0.005 . 1 . . . . . . . . 6077 1 306 . 1 1 32 32 U H6 H 1 7.962 0.004 . 1 . . . . . . . . 6077 1 307 . 1 1 33 33 C C5 C 13 97.318 0.120 . 1 . . . . . . . . 6077 1 308 . 1 1 33 33 C H1' H 1 5.580 0.003 . 1 . . . . . . . . 6077 1 309 . 1 1 33 33 C H2' H 1 4.208 0.003 . 1 . . . . . . . . 6077 1 310 . 1 1 33 33 C H3' H 1 4.501 0.003 . 1 . . . . . . . . 6077 1 311 . 1 1 33 33 C H4' H 1 4.414 0.005 . 1 . . . . . . . . 6077 1 312 . 1 1 33 33 C H5 H 1 5.655 0.003 . 1 . . . . . . . . 6077 1 313 . 1 1 33 33 C H5'' H 1 4.570 0.005 . 1 . . . . . . . . 6077 1 314 . 1 1 33 33 C H5' H 1 4.076 0.005 . 1 . . . . . . . . 6077 1 315 . 1 1 33 33 C H6 H 1 7.932 0.003 . 1 . . . . . . . . 6077 1 316 . 1 1 34 34 C C3' C 13 69.872 0.120 . 1 . . . . . . . . 6077 1 317 . 1 1 34 34 C C5 C 13 98.138 0.120 . 1 . . . . . . . . 6077 1 318 . 1 1 34 34 C C6 C 13 141.972 0.120 . 1 . . . . . . . . 6077 1 319 . 1 1 34 34 C H1' H 1 5.718 0.003 . 1 . . . . . . . . 6077 1 320 . 1 1 34 34 C H2' H 1 3.987 0.003 . 1 . . . . . . . . 6077 1 321 . 1 1 34 34 C H3' H 1 4.167 0.003 . 1 . . . . . . . . 6077 1 322 . 1 1 34 34 C H4' H 1 4.166 0.005 . 1 . . . . . . . . 6077 1 323 . 1 1 34 34 C H5 H 1 5.483 0.003 . 1 . . . . . . . . 6077 1 324 . 1 1 34 34 C H5'' H 1 4.486 0.005 . 1 . . . . . . . . 6077 1 325 . 1 1 34 34 C H5' H 1 4.030 0.005 . 1 . . . . . . . . 6077 1 326 . 1 1 34 34 C H6 H 1 7.664 0.003 . 1 . . . . . . . . 6077 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 6077 _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 . 6077 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 H1' H 1 5.836 0.010 . 1 . . . . . . . . 6077 2 2 . 1 1 1 1 G H8 H 1 8.178 0.010 . 1 . . . . . . . . 6077 2 3 . 1 1 2 2 G H1 H 1 12.412 0.005 . 1 . . . . . . . . 6077 2 4 . 1 1 2 2 G H1' H 1 5.921 0.010 . 1 . . . . . . . . 6077 2 5 . 1 1 2 2 G H2' H 1 4.661 0.010 . 1 . . . . . . . . 6077 2 6 . 1 1 2 2 G H4' H 1 4.559 0.010 . 1 . . . . . . . . 6077 2 7 . 1 1 2 2 G H8 H 1 7.524 0.010 . 1 . . . . . . . . 6077 2 8 . 1 1 3 3 A H1' H 1 5.992 0.010 . 1 . . . . . . . . 6077 2 9 . 1 1 3 3 A H2 H 1 7.456 0.005 . 1 . . . . . . . . 6077 2 10 . 1 1 3 3 A H2' H 1 4.696 0.010 . 1 . . . . . . . . 6077 2 11 . 1 1 3 3 A H61 H 1 8.350 0.010 . 1 . . . . . . . . 6077 2 12 . 1 1 3 3 A H8 H 1 7.756 0.010 . 1 . . . . . . . . 6077 2 13 . 1 1 4 4 G H1 H 1 12.771 0.005 . 1 . . . . . . . . 6077 2 14 . 1 1 4 4 G H1' H 1 5.613 0.010 . 1 . . . . . . . . 6077 2 15 . 1 1 4 4 G H2' H 1 4.546 0.010 . 1 . . . . . . . . 6077 2 16 . 1 1 4 4 G H21 H 1 8.325 0.010 . 1 . . . . . . . . 6077 2 17 . 1 1 4 4 G H22 H 1 6.100 0.010 . 1 . . . . . . . . 6077 2 18 . 1 1 4 4 G H5' H 1 4.030 0.010 . 1 . . . . . . . . 6077 2 19 . 1 1 4 4 G H8 H 1 7.071 0.010 . 1 . . . . . . . . 6077 2 20 . 1 1 5 5 G H1 H 1 12.493 0.005 . 1 . . . . . . . . 6077 2 21 . 1 1 5 5 G H1' H 1 5.707 0.010 . 1 . . . . . . . . 6077 2 22 . 1 1 5 5 G H5' H 1 4.036 0.010 . 1 . . . . . . . . 6077 2 23 . 1 1 5 5 G H8 H 1 7.160 0.010 . 1 . . . . . . . . 6077 2 24 . 1 1 6 6 A H1' H 1 5.986 0.010 . 1 . . . . . . . . 6077 2 25 . 1 1 6 6 A H2 H 1 7.796 0.010 . 1 . . . . . . . . 6077 2 26 . 1 1 6 6 A H2' H 1 4.594 0.010 . 1 . . . . . . . . 6077 2 27 . 1 1 6 6 A H8 H 1 7.824 0.010 . 1 . . . . . . . . 6077 2 28 . 1 1 7 7 C H1' H 1 5.305 0.010 . 1 . . . . . . . . 6077 2 29 . 1 1 7 7 C H2' H 1 4.450 0.010 . 1 . . . . . . . . 6077 2 30 . 1 1 7 7 C H3' H 1 4.273 0.010 . 1 . . . . . . . . 6077 2 31 . 1 1 7 7 C H4' H 1 4.391 0.010 . 1 . . . . . . . . 6077 2 32 . 1 1 7 7 C H41 H 1 8.081 0.013 . 1 . . . . . . . . 6077 2 33 . 1 1 7 7 C H42 H 1 7.040 0.008 . 1 . . . . . . . . 6077 2 34 . 1 1 7 7 C H5 H 1 5.188 0.010 . 1 . . . . . . . . 6077 2 35 . 1 1 7 7 C H5' H 1 4.014 0.010 . 1 . . . . . . . . 6077 2 36 . 1 1 7 7 C H6 H 1 7.249 0.005 . 1 . . . . . . . . 6077 2 37 . 1 1 8 8 A H1' H 1 5.892 0.005 . 1 . . . . . . . . 6077 2 38 . 1 1 8 8 A H2 H 1 7.183 0.010 . 1 . . . . . . . . 6077 2 39 . 1 1 8 8 A H2' H 1 4.348 0.024 . 1 . . . . . . . . 6077 2 40 . 1 1 8 8 A H8 H 1 7.849 0.012 . 1 . . . . . . . . 6077 2 41 . 1 1 9 9 U H1' H 1 5.379 0.010 . 1 . . . . . . . . 6077 2 42 . 1 1 9 9 U H2' H 1 3.994 0.010 . 1 . . . . . . . . 6077 2 43 . 1 1 9 9 U H5 H 1 5.200 0.010 . 1 . . . . . . . . 6077 2 44 . 1 1 9 9 U H5' H 1 3.927 0.010 . 1 . . . . . . . . 6077 2 45 . 1 1 9 9 U H6 H 1 7.329 0.005 . 1 . . . . . . . . 6077 2 46 . 1 1 10 10 U H1' H 1 5.743 0.010 . 1 . . . . . . . . 6077 2 47 . 1 1 10 10 U H2' H 1 4.312 0.010 . 1 . . . . . . . . 6077 2 48 . 1 1 10 10 U H5 H 1 5.670 0.010 . 1 . . . . . . . . 6077 2 49 . 1 1 10 10 U H6 H 1 7.710 0.010 . 1 . . . . . . . . 6077 2 50 . 1 1 11 11 C H1' H 1 5.737 0.010 . 1 . . . . . . . . 6077 2 51 . 1 1 11 11 C H2' H 1 4.360 0.010 . 1 . . . . . . . . 6077 2 52 . 1 1 11 11 C H5 H 1 5.899 0.010 . 1 . . . . . . . . 6077 2 53 . 1 1 11 11 C H6 H 1 7.814 0.010 . 1 . . . . . . . . 6077 2 54 . 1 1 12 12 C H1' H 1 5.703 0.010 . 1 . . . . . . . . 6077 2 55 . 1 1 12 12 C H2' H 1 4.266 0.010 . 1 . . . . . . . . 6077 2 56 . 1 1 12 12 C H5 H 1 5.854 0.010 . 1 . . . . . . . . 6077 2 57 . 1 1 12 12 C H6 H 1 7.747 0.010 . 1 . . . . . . . . 6077 2 58 . 1 1 13 13 U H1' H 1 5.860 0.010 . 1 . . . . . . . . 6077 2 59 . 1 1 13 13 U H2' H 1 4.458 0.010 . 1 . . . . . . . . 6077 2 60 . 1 1 13 13 U H5 H 1 5.812 0.010 . 1 . . . . . . . . 6077 2 61 . 1 1 13 13 U H6 H 1 7.862 0.010 . 1 . . . . . . . . 6077 2 62 . 1 1 14 14 C H1' H 1 5.540 0.010 . 1 . . . . . . . . 6077 2 63 . 1 1 14 14 C H2' H 1 4.539 0.010 . 1 . . . . . . . . 6077 2 64 . 1 1 14 14 C H3' H 1 4.710 0.010 . 1 . . . . . . . . 6077 2 65 . 1 1 14 14 C H41 H 1 8.574 0.020 . 1 . . . . . . . . 6077 2 66 . 1 1 14 14 C H42 H 1 7.311 0.005 . 1 . . . . . . . . 6077 2 67 . 1 1 14 14 C H5 H 1 6.049 0.010 . 1 . . . . . . . . 6077 2 68 . 1 1 14 14 C H6 H 1 8.141 0.005 . 1 . . . . . . . . 6077 2 69 . 1 1 15 15 A H1' H 1 6.034 0.010 . 1 . . . . . . . . 6077 2 70 . 1 1 15 15 A H2 H 1 7.599 0.011 . 1 . . . . . . . . 6077 2 71 . 1 1 15 15 A H2' H 1 4.533 0.026 . 1 . . . . . . . . 6077 2 72 . 1 1 15 15 A H3' H 1 4.842 0.010 . 1 . . . . . . . . 6077 2 73 . 1 1 15 15 A H8 H 1 8.316 0.010 . 1 . . . . . . . . 6077 2 74 . 1 1 16 16 C H1' H 1 5.518 0.010 . 1 . . . . . . . . 6077 2 75 . 1 1 16 16 C H2' H 1 4.372 0.010 . 1 . . . . . . . . 6077 2 76 . 1 1 16 16 C H41 H 1 8.307 0.010 . 1 . . . . . . . . 6077 2 77 . 1 1 16 16 C H42 H 1 6.955 0.010 . 1 . . . . . . . . 6077 2 78 . 1 1 16 16 C H5 H 1 5.313 0.005 . 1 . . . . . . . . 6077 2 79 . 1 1 16 16 C H6 H 1 7.623 0.011 . 1 . . . . . . . . 6077 2 80 . 1 1 17 17 G H1 H 1 12.414 0.005 . 1 . . . . . . . . 6077 2 81 . 1 1 17 17 G H1' H 1 5.749 0.010 . 1 . . . . . . . . 6077 2 82 . 1 1 17 17 G H2' H 1 4.500 0.010 . 1 . . . . . . . . 6077 2 83 . 1 1 17 17 G H3' H 1 4.618 0.010 . 1 . . . . . . . . 6077 2 84 . 1 1 17 17 G H8 H 1 7.530 0.010 . 1 . . . . . . . . 6077 2 85 . 1 1 18 18 G H1 H 1 13.118 0.005 . 1 . . . . . . . . 6077 2 86 . 1 1 18 18 G H1' H 1 5.779 0.010 . 1 . . . . . . . . 6077 2 87 . 1 1 18 18 G H2' H 1 4.561 0.010 . 1 . . . . . . . . 6077 2 88 . 1 1 18 18 G H8 H 1 7.179 0.010 . 1 . . . . . . . . 6077 2 89 . 1 1 19 19 G H1 H 1 10.890 0.005 . 1 . . . . . . . . 6077 2 90 . 1 1 19 19 G H1' H 1 5.782 0.010 . 1 . . . . . . . . 6077 2 91 . 1 1 19 19 G H22 H 1 6.926 0.010 . 1 . . . . . . . . 6077 2 92 . 1 1 20 20 U H5 H 1 5.401 0.010 . 1 . . . . . . . . 6077 2 93 . 1 1 20 20 U H6 H 1 7.762 0.010 . 1 . . . . . . . . 6077 2 94 . 1 1 21 21 G H1 H 1 10.528 0.010 . 1 . . . . . . . . 6077 2 95 . 1 1 21 21 G H1' H 1 5.470 0.010 . 1 . . . . . . . . 6077 2 96 . 1 1 21 21 G H2' H 1 4.279 0.010 . 1 . . . . . . . . 6077 2 97 . 1 1 21 21 G H21 H 1 6.174 0.010 . 1 . . . . . . . . 6077 2 98 . 1 1 21 21 G H3' H 1 4.661 0.010 . 1 . . . . . . . . 6077 2 99 . 1 1 21 21 G H5'' H 1 3.947 0.010 . 1 . . . . . . . . 6077 2 100 . 1 1 21 21 G H5' H 1 4.128 0.010 . 1 . . . . . . . . 6077 2 101 . 1 1 21 21 G H8 H 1 7.781 0.010 . 1 . . . . . . . . 6077 2 102 . 1 1 22 22 A H1' H 1 6.123 0.010 . 1 . . . . . . . . 6077 2 103 . 1 1 22 22 A H2 H 1 8.250 0.010 . 1 . . . . . . . . 6077 2 104 . 1 1 22 22 A H3' H 1 4.953 0.010 . 1 . . . . . . . . 6077 2 105 . 1 1 22 22 A H4' H 1 4.471 0.010 . 1 . . . . . . . . 6077 2 106 . 1 1 22 22 A H8 H 1 8.285 0.005 . 1 . . . . . . . . 6077 2 107 . 1 1 23 23 C H1' H 1 3.769 0.036 . 1 . . . . . . . . 6077 2 108 . 1 1 23 23 C H2' H 1 4.341 0.010 . 1 . . . . . . . . 6077 2 109 . 1 1 23 23 C H4' H 1 4.169 0.010 . 1 . . . . . . . . 6077 2 110 . 1 1 23 23 C H41 H 1 8.757 0.005 . 1 . . . . . . . . 6077 2 111 . 1 1 23 23 C H42 H 1 7.098 0.010 . 1 . . . . . . . . 6077 2 112 . 1 1 23 23 C H5 H 1 6.073 0.005 . 1 . . . . . . . . 6077 2 113 . 1 1 23 23 C H6 H 1 7.915 0.008 . 1 . . . . . . . . 6077 2 114 . 1 1 24 24 C H1' H 1 5.513 0.010 . 1 . . . . . . . . 6077 2 115 . 1 1 24 24 C H2' H 1 4.577 0.010 . 1 . . . . . . . . 6077 2 116 . 1 1 24 24 C H41 H 1 8.489 0.005 . 1 . . . . . . . . 6077 2 117 . 1 1 24 24 C H42 H 1 6.939 0.006 . 1 . . . . . . . . 6077 2 118 . 1 1 24 24 C H5 H 1 5.640 0.010 . 1 . . . . . . . . 6077 2 119 . 1 1 24 24 C H6 H 1 7.772 0.010 . 1 . . . . . . . . 6077 2 120 . 1 1 25 25 G H1 H 1 12.954 0.005 . 1 . . . . . . . . 6077 2 121 . 1 1 25 25 G H21 H 1 8.141 0.010 . 1 . . . . . . . . 6077 2 122 . 1 1 25 25 G H22 H 1 5.992 0.010 . 1 . . . . . . . . 6077 2 123 . 1 1 25 25 G H8 H 1 7.639 0.010 . 1 . . . . . . . . 6077 2 124 . 1 1 26 26 U H1' H 1 5.525 0.010 . 1 . . . . . . . . 6077 2 125 . 1 1 26 26 U H2' H 1 4.356 0.010 . 1 . . . . . . . . 6077 2 126 . 1 1 26 26 U H3 H 1 14.117 0.011 . 1 . . . . . . . . 6077 2 127 . 1 1 26 26 U H5 H 1 5.158 0.010 . 1 . . . . . . . . 6077 2 128 . 1 1 26 26 U H6 H 1 7.748 0.010 . 1 . . . . . . . . 6077 2 129 . 1 1 27 27 G H1 H 1 12.616 0.005 . 1 . . . . . . . . 6077 2 130 . 1 1 27 27 G H1' H 1 6.015 0.010 . 1 . . . . . . . . 6077 2 131 . 1 1 27 27 G H2' H 1 4.334 0.010 . 1 . . . . . . . . 6077 2 132 . 1 1 27 27 G H21 H 1 8.489 0.010 . 1 . . . . . . . . 6077 2 133 . 1 1 27 27 G H22 H 1 6.428 0.010 . 1 . . . . . . . . 6077 2 134 . 1 1 27 27 G H3' H 1 4.816 0.010 . 1 . . . . . . . . 6077 2 135 . 1 1 27 27 G H4' H 1 4.549 0.010 . 1 . . . . . . . . 6077 2 136 . 1 1 27 27 G H8 H 1 7.786 0.010 . 1 . . . . . . . . 6077 2 137 . 1 1 28 28 G H1 H 1 12.628 0.005 . 1 . . . . . . . . 6077 2 138 . 1 1 28 28 G H1' H 1 5.841 0.010 . 1 . . . . . . . . 6077 2 139 . 1 1 28 28 G H2' H 1 4.731 0.010 . 1 . . . . . . . . 6077 2 140 . 1 1 28 28 G H21 H 1 8.488 0.010 . 1 . . . . . . . . 6077 2 141 . 1 1 28 28 G H22 H 1 6.437 0.010 . 1 . . . . . . . . 6077 2 142 . 1 1 28 28 G H8 H 1 8.085 0.010 . 1 . . . . . . . . 6077 2 143 . 1 1 29 29 U H1' H 1 5.623 0.011 . 1 . . . . . . . . 6077 2 144 . 1 1 29 29 U H2' H 1 4.617 0.010 . 1 . . . . . . . . 6077 2 145 . 1 1 29 29 U H3 H 1 14.356 0.005 . 1 . . . . . . . . 6077 2 146 . 1 1 29 29 U H5 H 1 5.150 0.010 . 1 . . . . . . . . 6077 2 147 . 1 1 29 29 U H6 H 1 7.889 0.010 . 1 . . . . . . . . 6077 2 148 . 1 1 30 30 C H1' H 1 5.588 0.010 . 1 . . . . . . . . 6077 2 149 . 1 1 30 30 C H41 H 1 8.540 0.010 . 1 . . . . . . . . 6077 2 150 . 1 1 30 30 C H42 H 1 7.053 0.010 . 1 . . . . . . . . 6077 2 151 . 1 1 30 30 C H5 H 1 5.674 0.010 . 1 . . . . . . . . 6077 2 152 . 1 1 30 30 C H6 H 1 7.891 0.010 . 1 . . . . . . . . 6077 2 153 . 1 1 31 31 C H1' H 1 5.436 0.010 . 1 . . . . . . . . 6077 2 154 . 1 1 31 31 C H41 H 1 8.522 0.010 . 1 . . . . . . . . 6077 2 155 . 1 1 31 31 C H42 H 1 6.969 0.010 . 1 . . . . . . . . 6077 2 156 . 1 1 31 31 C H5 H 1 5.545 0.010 . 1 . . . . . . . . 6077 2 157 . 1 1 31 31 C H6 H 1 7.804 0.010 . 1 . . . . . . . . 6077 2 158 . 1 1 32 32 U H1' H 1 5.515 0.010 . 1 . . . . . . . . 6077 2 159 . 1 1 32 32 U H2' H 1 4.533 0.010 . 1 . . . . . . . . 6077 2 160 . 1 1 32 32 U H3 H 1 14.069 0.005 . 1 . . . . . . . . 6077 2 161 . 1 1 32 32 U H5 H 1 5.406 0.010 . 1 . . . . . . . . 6077 2 162 . 1 1 32 32 U H6 H 1 7.951 0.010 . 1 . . . . . . . . 6077 2 163 . 1 1 33 33 C H1' H 1 5.568 0.010 . 1 . . . . . . . . 6077 2 164 . 1 1 33 33 C H2' H 1 4.205 0.010 . 1 . . . . . . . . 6077 2 165 . 1 1 33 33 C H41 H 1 8.364 0.010 . 1 . . . . . . . . 6077 2 166 . 1 1 33 33 C H42 H 1 7.060 0.010 . 1 . . . . . . . . 6077 2 167 . 1 1 33 33 C H5 H 1 5.635 0.010 . 1 . . . . . . . . 6077 2 168 . 1 1 33 33 C H6 H 1 7.933 0.010 . 1 . . . . . . . . 6077 2 169 . 1 1 34 34 C H5 H 1 5.465 0.010 . 1 . . . . . . . . 6077 2 170 . 1 1 34 34 C H6 H 1 7.644 0.010 . 1 . . . . . . . . 6077 2 stop_ save_