data_18893 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18893 _Entry.Title ; NMR solution structure of the d3'-hairpin of the group II intron Sc.ai5gamma including EBS1 bound to IBS1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-12 _Entry.Accession_date 2012-12-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Daniela Kruschel . . . 18893 2 Miriam Skilandat . . . 18893 3 Roland Sigel . 'K. O.' . 18893 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18893 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '5'-splice site' . 18893 EBS1 . 18893 'group II intron' . 18893 hairpin . 18893 IBS1 . 18893 ribozyme . 18893 RNA . 18893 splicing . 18893 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18893 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 78 18893 '15N chemical shifts' 13 18893 '1H chemical shifts' 306 18893 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-17 2012-12-12 update BMRB 'update entry citation' 18893 1 . . 2013-12-16 2012-12-12 original author 'original release' 18893 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18894 'd3'-hairpin including the exon binding site 1 (EBS1) of the group II intron Sc.ai5gamma' 18893 PDB 2K65 . 18893 PDB 2K66 . 18893 PDB 2M1V . 18893 PDB 2M24 . 18893 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18893 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24448450 _Citation.Full_citation . _Citation.Title 'NMR structure of the 5'-splice site in the group IIB intron Sc.ai5--conformational requirements for exon-intron recognition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full 'RNA (New York, N.Y.)' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Daniela Kruschel . . . 18893 1 2 Miriam Skilandat . . . 18893 1 3 Roland Sigel . K.O. . 18893 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18893 _Assembly.ID 1 _Assembly.Name 'd3'-hairpin of the group II intron Sc.ai5gamma including EBS1 bound to IBS1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (29-MER)' 1 $RNA_(29-MER) A . yes native no no . . . 18893 1 2 RNA_(7-MER) 2 $RNA_(7-MER) B . yes native no no . . . 18893 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(29-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(29-MER) _Entity.Entry_ID 18893 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(29-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGAGUAUGUAUUGGCACUGA GCAUACUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'part of intron domain one; postion 5-25 correspond to 315-335 on Sc.ai5gamma intron (25657-25677 on gene); extended by 4 nt on each side' _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 syn _Entity.Parent_entity_ID . _Entity.Fragment d3'EBS1 _Entity.Mutation ; A15C, A17C ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9301.611 _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 . 18893 1 2 . G . 18893 1 3 . A . 18893 1 4 . G . 18893 1 5 . U . 18893 1 6 . A . 18893 1 7 . U . 18893 1 8 . G . 18893 1 9 . U . 18893 1 10 . A . 18893 1 11 . U . 18893 1 12 . U . 18893 1 13 . G . 18893 1 14 . G . 18893 1 15 . C . 18893 1 16 . A . 18893 1 17 . C . 18893 1 18 . U . 18893 1 19 . G . 18893 1 20 . A . 18893 1 21 . G . 18893 1 22 . C . 18893 1 23 . A . 18893 1 24 . U . 18893 1 25 . A . 18893 1 26 . C . 18893 1 27 . U . 18893 1 28 . C . 18893 1 29 . C . 18893 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 18893 1 . G 2 2 18893 1 . A 3 3 18893 1 . G 4 4 18893 1 . U 5 5 18893 1 . A 6 6 18893 1 . U 7 7 18893 1 . G 8 8 18893 1 . U 9 9 18893 1 . A 10 10 18893 1 . U 11 11 18893 1 . U 12 12 18893 1 . G 13 13 18893 1 . G 14 14 18893 1 . C 15 15 18893 1 . A 16 16 18893 1 . C 17 17 18893 1 . U 18 18 18893 1 . G 19 19 18893 1 . A 20 20 18893 1 . G 21 21 18893 1 . C 22 22 18893 1 . A 23 23 18893 1 . U 24 24 18893 1 . A 25 25 18893 1 . C 26 26 18893 1 . U 27 27 18893 1 . C 28 28 18893 1 . C 29 29 18893 1 stop_ save_ save_RNA_(7-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(7-MER) _Entity.Entry_ID 18893 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(7-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CAGUGUC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details "sequence corresponds to the last 7 nt of the 5' exon (position 25336-25342 in gene)" _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment IBS1 _Entity.Mutation ; U61G, U63G ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2197.370 _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 59 C . 18893 2 2 60 A . 18893 2 3 61 G . 18893 2 4 62 U . 18893 2 5 63 G . 18893 2 6 64 U . 18893 2 7 65 C . 18893 2 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 . C 1 1 18893 2 . A 2 2 18893 2 . G 3 3 18893 2 . U 4 4 18893 2 . G 5 5 18893 2 . U 6 6 18893 2 . C 7 7 18893 2 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 18893 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(29-MER) . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . cox1 . 'mitochondrial genome' . . 18893 1 2 2 $RNA_(7-MER) . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . cox1 . 'mitochondrial genome' . . 18893 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 18893 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(29-MER) . 'cell free synthesis' 'not applicable' . . . not applicable . . . . . . . . . . . . . 'not applicable' . . 'not applicable' . . . 'sequence produced by in-vitro transcription from a synthetic dsDNA template using T7 RNA-polymerase' . . 18893 1 2 2 $RNA_(7-MER) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 18893 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled_d2o _Sample.Sf_category sample _Sample.Sf_framecode unlabelled_d2o _Sample.Entry_ID 18893 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (29-MER)' 'natural abundance' . . 1 $RNA_(29-MER) . . . 0.5 0.9 mM . . . . 18893 1 2 RNA_(7-MER) 'natural abundance' . . 2 $RNA_(7-MER) . . . 0.5 0.9 mM . . . . 18893 1 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18893 1 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18893 1 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18893 1 stop_ save_ save_unlabelled_h2o _Sample.Sf_category sample _Sample.Sf_framecode unlabelled_h2o _Sample.Entry_ID 18893 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (29-MER)' 'natural abundance' . . 1 $RNA_(29-MER) . . . 0.5 0.9 mM . . . . 18893 2 2 RNA_(7-MER) 'natural abundance' . . 2 $RNA_(7-MER) . . . 0.5 0.9 mM . . . . 18893 2 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18893 2 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18893 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18893 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18893 2 stop_ save_ save_labelled_d2o _Sample.Sf_category sample _Sample.Sf_framecode labelled_d2o _Sample.Entry_ID 18893 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (29-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(29-MER) . . 0.5 . . mM . . . . 18893 3 2 RNA_(7-MER) 'natural abundance' . . 2 $RNA_(7-MER) . . 0.5 . . mM . . . . 18893 3 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18893 3 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18893 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18893 3 stop_ save_ save_labelled_h2o _Sample.Sf_category sample _Sample.Sf_framecode labelled_h2o _Sample.Entry_ID 18893 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (29-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(29-MER) . . 0.5 . . mM . . . . 18893 4 2 RNA_(7-MER) 'natural abundance' . . 2 $RNA_(7-MER) . . 0.5 . . mM . . . . 18893 4 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18893 4 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18893 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18893 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18893 4 stop_ save_ save_deuterated_d2o _Sample.Sf_category sample _Sample.Sf_framecode deuterated_d2o _Sample.Entry_ID 18893 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (29-MER)' '[3',4',5',5'',5-100% 2H]' . . 1 $RNA_(29-MER) . . 0.6 . . mM . . . . 18893 5 2 RNA_(7-MER) 'natural abundance' . . 2 $RNA_(7-MER) . . 0.6 . . mM . . . . 18893 5 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18893 5 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18893 5 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18893 5 stop_ save_ save_labelled_h2o_phage _Sample.Sf_category sample _Sample.Sf_framecode labelled_h2o_phage _Sample.Entry_ID 18893 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (29-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(29-MER) . . 0.5 . . mM . . . . 18893 6 2 RNA_(7-MER) 'natural abundance' . . 2 $RNA_(7-MER) . . 0.5 . . mM . . . . 18893 6 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18893 6 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18893 6 5 'Pf1 phage' 'natural abundance' . . . . . . 25.6 . . mg/mL . . . . 18893 6 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18893 6 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18893 6 stop_ save_ ####################### # Sample conditions # ####################### save_d2o_298K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode d2o_298K _Sample_condition_list.Entry_ID 18893 _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' 110 . mM 18893 1 pD 6.8 . pH 18893 1 pressure 1 . atm 18893 1 temperature 298 . K 18893 1 stop_ save_ save_h2o_278K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode h2o_278K _Sample_condition_list.Entry_ID 18893 _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' 110 . mM 18893 2 pH 6.8 . pH 18893 2 pressure 1 . atm 18893 2 temperature 278 . K 18893 2 stop_ save_ save_h2o_293K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode h2o_293K _Sample_condition_list.Entry_ID 18893 _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' 110 . mM 18893 3 pH 6.8 . pH 18893 3 pressure 1 . atm 18893 3 temperature 293 . K 18893 3 stop_ save_ save_h2o_298K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode h2o_298K _Sample_condition_list.Entry_ID 18893 _Sample_condition_list.ID 4 _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' 110 . mM 18893 4 pH 6.8 . pH 18893 4 pressure 1 . atm 18893 4 temperature 298 . K 18893 4 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18893 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18893 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18893 1 'data analysis' 18893 1 'peak picking' 18893 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18893 _Software.ID 2 _Software.Name TOPSPIN _Software.Version '1.3, 2.0, 2.1' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18893 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18893 2 processing 18893 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 18893 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 18893 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18893 3 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 18893 _Software.ID 4 _Software.Name CNSSOLVE _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18893 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18893 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18893 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.24 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18893 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18893 5 'structure solution' 18893 5 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 18893 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'CRYO TXI z-axis pulsed field gradient, inverse triple-resonance probehead' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18893 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'CRYO TCI z-axis gradient, inverse triple-resonance probehead' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18893 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Cryo QNP, z-axis gradient probehead' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18893 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'CRYO TXI z-axis pulsed field gradient, inverse triple-resonance probehead' . . 18893 1 2 spectrometer_2 Bruker Avance . 600 'CRYO TCI z-axis gradient, inverse triple-resonance probehead' . . 18893 1 3 spectrometer_3 Bruker Avance . 500 'Cryo QNP, z-axis gradient probehead' . . 18893 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 18893 _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 $unlabelled_d2o isotropic . . 1 $d2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $unlabelled_d2o isotropic . . 1 $d2o_298K . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18893 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $unlabelled_d2o isotropic . . 1 $d2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $deuterated_d2o isotropic . . 1 $d2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $labelled_h2o isotropic . . 4 $h2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 6 $labelled_h2o_phage anisotropic . . 4 $h2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $labelled_h2o isotropic . . 2 $h2o_278K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $labelled_h2o isotropic . . 4 $h2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 6 $labelled_h2o_phage anisotropic . . 4 $h2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $labelled_d2o isotropic . . 1 $d2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $labelled_d2o isotropic . . 1 $d2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $unlabelled_h2o isotropic . . 2 $h2o_278K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $unlabelled_h2o isotropic . . 2 $h2o_278K . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18893 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $unlabelled_h2o isotropic . . 3 $h2o_293K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 15 '2D JNN HNN COSY' no . . . . . . . . . . 4 $labelled_h2o isotropic . . 2 $h2o_278K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 16 1D-31P no . . . . . . . . . . 1 $unlabelled_d2o isotropic . . 1 $d2o_298K . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18893 1 17 'F1,2 X-filtered 1H-1H NOESY' no . . . . . . . . . . 4 $labelled_h2o isotropic . . 4 $h2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 18 'F1,2 X-filtered 1H-1H TOCSY' no . . . . . . . . . . 4 $labelled_h2o isotropic . . 4 $h2o_298K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18893 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 18893 _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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18893 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18893 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18893 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18893 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $d2o_298K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _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' . . . 18893 1 5 '2D 1H-13C HSQC aliphatic' . . . 18893 1 7 '2D 1H-15N HSQC' . . . 18893 1 8 '2D 1H-13C HSQC aromatic' . . . 18893 1 14 '2D 1H-1H NOESY' . . . 18893 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 12.441 0.005 . 1 . . . A 1 G H1 . 18893 1 2 . 1 1 1 1 G H1' H 1 5.621 0.005 . 1 . . . A 1 G H1' . 18893 1 3 . 1 1 1 1 G H2' H 1 4.733 0.005 . 1 . . . A 1 G H2' . 18893 1 4 . 1 1 1 1 G H3' H 1 4.503 0.005 . 1 . . . A 1 G H3' . 18893 1 5 . 1 1 1 1 G H4' H 1 4.355 0.005 . 1 . . . A 1 G H4' . 18893 1 6 . 1 1 1 1 G H5' H 1 4.077 0.005 . 1 . . . A 1 G H5' . 18893 1 7 . 1 1 1 1 G H5'' H 1 3.965 0.005 . 1 . . . A 1 G H5'' . 18893 1 8 . 1 1 1 1 G H8 H 1 7.942 0.005 . 1 . . . A 1 G H8 . 18893 1 9 . 1 1 1 1 G C1' C 13 87.195 0.050 . 1 . . . A 1 G C1' . 18893 1 10 . 1 1 1 1 G C8 C 13 133.486 0.050 . 1 . . . A 1 G C8 . 18893 1 11 . 1 1 1 1 G N1 N 15 146.558 0.050 . 1 . . . A 1 G N1 . 18893 1 12 . 1 1 2 2 G H1 H 1 12.076 0.005 . 1 . . . A 2 G H1 . 18893 1 13 . 1 1 2 2 G H1' H 1 5.709 0.005 . 1 . . . A 2 G H1' . 18893 1 14 . 1 1 2 2 G H2' H 1 4.486 0.005 . 1 . . . A 2 G H2' . 18893 1 15 . 1 1 2 2 G H3' H 1 4.295 0.005 . 1 . . . A 2 G H3' . 18893 1 16 . 1 1 2 2 G H4' H 1 4.346 0.005 . 1 . . . A 2 G H4' . 18893 1 17 . 1 1 2 2 G H5' H 1 4.037 0.005 . 1 . . . A 2 G H5' . 18893 1 18 . 1 1 2 2 G H5'' H 1 3.918 0.005 . 1 . . . A 2 G H5'' . 18893 1 19 . 1 1 2 2 G H8 H 1 7.320 0.005 . 1 . . . A 2 G H8 . 18893 1 20 . 1 1 2 2 G H21 H 1 7.821 0.005 . 1 . . . A 2 G H21 . 18893 1 21 . 1 1 2 2 G H22 H 1 5.679 0.005 . 1 . . . A 2 G H22 . 18893 1 22 . 1 1 2 2 G C1' C 13 87.503 0.050 . 1 . . . A 2 G C1' . 18893 1 23 . 1 1 2 2 G C8 C 13 131.252 0.050 . 1 . . . A 2 G C8 . 18893 1 24 . 1 1 2 2 G N1 N 15 146.247 0.050 . 1 . . . A 2 G N1 . 18893 1 25 . 1 1 3 3 A H1' H 1 5.797 0.005 . 1 . . . A 3 A H1' . 18893 1 26 . 1 1 3 3 A H2 H 1 7.302 0.005 . 1 . . . A 3 A H2 . 18893 1 27 . 1 1 3 3 A H2' H 1 4.545 0.005 . 1 . . . A 3 A H2' . 18893 1 28 . 1 1 3 3 A H3' H 1 4.428 0.005 . 1 . . . A 3 A H3' . 18893 1 29 . 1 1 3 3 A H4' H 1 4.340 0.005 . 1 . . . A 3 A H4' . 18893 1 30 . 1 1 3 3 A H5' H 1 3.934 0.005 . 1 . . . A 3 A H5' . 18893 1 31 . 1 1 3 3 A H5'' H 1 3.861 0.005 . 1 . . . A 3 A H5'' . 18893 1 32 . 1 1 3 3 A H8 H 1 7.558 0.005 . 1 . . . A 3 A H8 . 18893 1 33 . 1 1 3 3 A H61 H 1 8.030 0.005 . 1 . . . A 3 A H61 . 18893 1 34 . 1 1 3 3 A H62 H 1 6.640 0.005 . 1 . . . A 3 A H62 . 18893 1 35 . 1 1 3 3 A C1' C 13 86.691 0.050 . 1 . . . A 3 A C1' . 18893 1 36 . 1 1 3 3 A C2 C 13 147.755 0.050 . 1 . . . A 3 A C2 . 18893 1 37 . 1 1 3 3 A C8 C 13 133.746 0.050 . 1 . . . A 3 A C8 . 18893 1 38 . 1 1 4 4 G H1 H 1 13.009 0.005 . 1 . . . A 4 G H1 . 18893 1 39 . 1 1 4 4 G H1' H 1 5.364 0.005 . 1 . . . A 4 G H1' . 18893 1 40 . 1 1 4 4 G H2' H 1 4.210 0.005 . 1 . . . A 4 G H2' . 18893 1 41 . 1 1 4 4 G H3' H 1 4.139 0.005 . 1 . . . A 4 G H3' . 18893 1 42 . 1 1 4 4 G H4' H 1 4.271 0.005 . 1 . . . A 4 G H4' . 18893 1 43 . 1 1 4 4 G H5' H 1 4.152 0.005 . 1 . . . A 4 G H5' . 18893 1 44 . 1 1 4 4 G H5'' H 1 3.841 0.005 . 1 . . . A 4 G H5'' . 18893 1 45 . 1 1 4 4 G H8 H 1 6.873 0.005 . 1 . . . A 4 G H8 . 18893 1 46 . 1 1 4 4 G H21 H 1 7.494 0.005 . 1 . . . A 4 G H21 . 18893 1 47 . 1 1 4 4 G H22 H 1 6.090 0.005 . 1 . . . A 4 G H22 . 18893 1 48 . 1 1 4 4 G C1' C 13 87.473 0.050 . 1 . . . A 4 G C1' . 18893 1 49 . 1 1 4 4 G C8 C 13 130.324 0.050 . 1 . . . A 4 G C8 . 18893 1 50 . 1 1 4 4 G N1 N 15 147.404 0.050 . 1 . . . A 4 G N1 . 18893 1 51 . 1 1 5 5 U H1' H 1 5.316 0.005 . 1 . . . A 5 U H1' . 18893 1 52 . 1 1 5 5 U H2' H 1 4.394 0.005 . 1 . . . A 5 U H2' . 18893 1 53 . 1 1 5 5 U H3 H 1 13.157 0.005 . 1 . . . A 5 U H3 . 18893 1 54 . 1 1 5 5 U H3' H 1 4.339 0.005 . 1 . . . A 5 U H3' . 18893 1 55 . 1 1 5 5 U H5 H 1 4.883 0.005 . 1 . . . A 5 U H5 . 18893 1 56 . 1 1 5 5 U H6 H 1 7.477 0.005 . 1 . . . A 5 U H6 . 18893 1 57 . 1 1 5 5 U C5 C 13 97.512 0.050 . 1 . . . A 5 U C5 . 18893 1 58 . 1 1 5 5 U C6 C 13 136.556 0.050 . 1 . . . A 5 U C6 . 18893 1 59 . 1 1 5 5 U N3 N 15 161.141 0.050 . 1 . . . A 5 U N3 . 18893 1 60 . 1 1 6 6 A H1' H 1 5.793 0.005 . 1 . . . A 6 A H1' . 18893 1 61 . 1 1 6 6 A H2 H 1 6.832 0.005 . 1 . . . A 6 A H2 . 18893 1 62 . 1 1 6 6 A H2' H 1 4.292 0.005 . 1 . . . A 6 A H2' . 18893 1 63 . 1 1 6 6 A H3' H 1 4.434 0.005 . 1 . . . A 6 A H3' . 18893 1 64 . 1 1 6 6 A H4' H 1 4.249 0.005 . 1 . . . A 6 A H4' . 18893 1 65 . 1 1 6 6 A H5' H 1 4.048 0.005 . 1 . . . A 6 A H5' . 18893 1 66 . 1 1 6 6 A H5'' H 1 3.968 0.005 . 1 . . . A 6 A H5'' . 18893 1 67 . 1 1 6 6 A H8 H 1 7.927 0.005 . 1 . . . A 6 A H8 . 18893 1 68 . 1 1 6 6 A H61 H 1 7.530 0.005 . 1 . . . A 6 A H61 . 18893 1 69 . 1 1 6 6 A H62 H 1 6.125 0.005 . 1 . . . A 6 A H62 . 18893 1 70 . 1 1 6 6 A C1' C 13 87.331 0.050 . 1 . . . A 6 A C1' . 18893 1 71 . 1 1 6 6 A C2 C 13 147.542 0.050 . 1 . . . A 6 A C2 . 18893 1 72 . 1 1 6 6 A C8 C 13 133.311 0.050 . 1 . . . A 6 A C8 . 18893 1 73 . 1 1 7 7 U H1' H 1 5.205 0.005 . 1 . . . A 7 U H1' . 18893 1 74 . 1 1 7 7 U H2' H 1 4.343 0.005 . 1 . . . A 7 U H2' . 18893 1 75 . 1 1 7 7 U H3 H 1 13.007 0.005 . 1 . . . A 7 U H3 . 18893 1 76 . 1 1 7 7 U H3' H 1 4.248 0.005 . 1 . . . A 7 U H3' . 18893 1 77 . 1 1 7 7 U H4' H 1 4.440 0.005 . 1 . . . A 7 U H4' . 18893 1 78 . 1 1 7 7 U H5 H 1 4.821 0.005 . 1 . . . A 7 U H5 . 18893 1 79 . 1 1 7 7 U H5'' H 1 3.689 0.005 . 1 . . . A 7 U H5'' . 18893 1 80 . 1 1 7 7 U H6 H 1 7.373 0.005 . 1 . . . A 7 U H6 . 18893 1 81 . 1 1 7 7 U C1' C 13 87.543 0.050 . 1 . . . A 7 U C1' . 18893 1 82 . 1 1 7 7 U C5 C 13 97.492 0.050 . 1 . . . A 7 U C5 . 18893 1 83 . 1 1 7 7 U C6 C 13 135.469 0.050 . 1 . . . A 7 U C6 . 18893 1 84 . 1 1 7 7 U N3 N 15 161.136 0.050 . 1 . . . A 7 U N3 . 18893 1 85 . 1 1 8 8 G H1 H 1 12.430 0.005 . 1 . . . A 8 G H1 . 18893 1 86 . 1 1 8 8 G H1' H 1 5.503 0.005 . 1 . . . A 8 G H1' . 18893 1 87 . 1 1 8 8 G H2' H 1 4.335 0.005 . 1 . . . A 8 G H2' . 18893 1 88 . 1 1 8 8 G H3' H 1 4.179 0.005 . 1 . . . A 8 G H3' . 18893 1 89 . 1 1 8 8 G H4' H 1 4.253 0.005 . 1 . . . A 8 G H4' . 18893 1 90 . 1 1 8 8 G H5'' H 1 3.896 0.005 . 1 . . . A 8 G H5'' . 18893 1 91 . 1 1 8 8 G H8 H 1 7.336 0.005 . 1 . . . A 8 G H8 . 18893 1 92 . 1 1 8 8 G H21 H 1 7.483 0.005 . 1 . . . A 8 G H21 . 18893 1 93 . 1 1 8 8 G H22 H 1 5.603 0.005 . 1 . . . A 8 G H22 . 18893 1 94 . 1 1 8 8 G C1' C 13 87.694 0.050 . 1 . . . A 8 G C1' . 18893 1 95 . 1 1 8 8 G C8 C 13 130.429 0.050 . 1 . . . A 8 G C8 . 18893 1 96 . 1 1 8 8 G N1 N 15 146.989 0.050 . 1 . . . A 8 G N1 . 18893 1 97 . 1 1 9 9 U H1' H 1 5.266 0.005 . 1 . . . A 9 U H1' . 18893 1 98 . 1 1 9 9 U H2' H 1 3.636 0.005 . 1 . . . A 9 U H2' . 18893 1 99 . 1 1 9 9 U H3 H 1 11.601 0.005 . 1 . . . A 9 U H3 . 18893 1 100 . 1 1 9 9 U H3' H 1 4.341 0.005 . 1 . . . A 9 U H3' . 18893 1 101 . 1 1 9 9 U H5 H 1 5.139 0.005 . 1 . . . A 9 U H5 . 18893 1 102 . 1 1 9 9 U H6 H 1 7.391 0.005 . 1 . . . A 9 U H6 . 18893 1 103 . 1 1 9 9 U C1' C 13 87.682 0.050 . 1 . . . A 9 U C1' . 18893 1 104 . 1 1 9 9 U C5 C 13 98.728 0.050 . 1 . . . A 9 U C5 . 18893 1 105 . 1 1 9 9 U C6 C 13 131.790 0.050 . 1 . . . A 9 U C6 . 18893 1 106 . 1 1 9 9 U N3 N 15 157.409 0.050 . 1 . . . A 9 U N3 . 18893 1 107 . 1 1 10 10 A H1' H 1 5.805 0.005 . 1 . . . A 10 A H1' . 18893 1 108 . 1 1 10 10 A H2 H 1 7.601 0.005 . 1 . . . A 10 A H2 . 18893 1 109 . 1 1 10 10 A H2' H 1 4.491 0.005 . 1 . . . A 10 A H2' . 18893 1 110 . 1 1 10 10 A H3' H 1 4.553 0.005 . 1 . . . A 10 A H3' . 18893 1 111 . 1 1 10 10 A H4' H 1 4.561 0.005 . 1 . . . A 10 A H4' . 18893 1 112 . 1 1 10 10 A H5' H 1 4.139 0.005 . 1 . . . A 10 A H5' . 18893 1 113 . 1 1 10 10 A H5'' H 1 3.952 0.005 . 1 . . . A 10 A H5'' . 18893 1 114 . 1 1 10 10 A H8 H 1 8.152 0.005 . 1 . . . A 10 A H8 . 18893 1 115 . 1 1 10 10 A H61 H 1 7.739 0.005 . 1 . . . A 10 A H61 . 18893 1 116 . 1 1 10 10 A H62 H 1 5.091 0.005 . 1 . . . A 10 A H62 . 18893 1 117 . 1 1 10 10 A C1' C 13 84.233 0.050 . 1 . . . A 10 A C1' . 18893 1 118 . 1 1 10 10 A C2 C 13 149.792 0.050 . 1 . . . A 10 A C2 . 18893 1 119 . 1 1 10 10 A C8 C 13 135.947 0.050 . 1 . . . A 10 A C8 . 18893 1 120 . 1 1 11 11 U H1' H 1 5.742 0.005 . 1 . . . A 11 U H1' . 18893 1 121 . 1 1 11 11 U H2' H 1 4.156 0.005 . 1 . . . A 11 U H2' . 18893 1 122 . 1 1 11 11 U H3' H 1 4.489 0.005 . 1 . . . A 11 U H3' . 18893 1 123 . 1 1 11 11 U H4' H 1 4.272 0.005 . 1 . . . A 11 U H4' . 18893 1 124 . 1 1 11 11 U H5 H 1 5.539 0.005 . 1 . . . A 11 U H5 . 18893 1 125 . 1 1 11 11 U H5' H 1 3.962 0.005 . 1 . . . A 11 U H5' . 18893 1 126 . 1 1 11 11 U H5'' H 1 3.920 0.005 . 1 . . . A 11 U H5'' . 18893 1 127 . 1 1 11 11 U H6 H 1 7.567 0.005 . 1 . . . A 11 U H6 . 18893 1 128 . 1 1 11 11 U C1' C 13 85.312 0.050 . 1 . . . A 11 U C1' . 18893 1 129 . 1 1 11 11 U C5 C 13 99.627 0.050 . 1 . . . A 11 U C5 . 18893 1 130 . 1 1 11 11 U C6 C 13 137.791 0.050 . 1 . . . A 11 U C6 . 18893 1 131 . 1 1 12 12 U H1' H 1 5.782 0.005 . 1 . . . A 12 U H1' . 18893 1 132 . 1 1 12 12 U H2' H 1 4.308 0.005 . 1 . . . A 12 U H2' . 18893 1 133 . 1 1 12 12 U H3' H 1 4.274 0.005 . 1 . . . A 12 U H3' . 18893 1 134 . 1 1 12 12 U H4' H 1 4.021 0.005 . 1 . . . A 12 U H4' . 18893 1 135 . 1 1 12 12 U H5 H 1 5.728 0.005 . 1 . . . A 12 U H5 . 18893 1 136 . 1 1 12 12 U H5'' H 1 3.689 0.005 . 1 . . . A 12 U H5'' . 18893 1 137 . 1 1 12 12 U H6 H 1 7.607 0.005 . 1 . . . A 12 U H6 . 18893 1 138 . 1 1 12 12 U C1' C 13 87.467 0.050 . 1 . . . A 12 U C1' . 18893 1 139 . 1 1 12 12 U C5 C 13 99.808 0.050 . 1 . . . A 12 U C5 . 18893 1 140 . 1 1 12 12 U C6 C 13 138.415 0.050 . 1 . . . A 12 U C6 . 18893 1 141 . 1 1 13 13 G H1 H 1 11.970 0.005 . 1 . . . A 13 G H1 . 18893 1 142 . 1 1 13 13 G H1' H 1 5.571 0.005 . 1 . . . A 13 G H1' . 18893 1 143 . 1 1 13 13 G H2' H 1 4.583 0.005 . 1 . . . A 13 G H2' . 18893 1 144 . 1 1 13 13 G H3' H 1 4.295 0.005 . 1 . . . A 13 G H3' . 18893 1 145 . 1 1 13 13 G H8 H 1 7.842 0.005 . 1 . . . A 13 G H8 . 18893 1 146 . 1 1 13 13 G C1' C 13 87.257 0.050 . 1 . . . A 13 G C1' . 18893 1 147 . 1 1 13 13 G C8 C 13 135.018 0.050 . 1 . . . A 13 G C8 . 18893 1 148 . 1 1 14 14 G H1 H 1 11.309 0.005 . 1 . . . A 14 G H1 . 18893 1 149 . 1 1 14 14 G H1' H 1 5.686 0.005 . 1 . . . A 14 G H1' . 18893 1 150 . 1 1 14 14 G H2' H 1 4.437 0.005 . 1 . . . A 14 G H2' . 18893 1 151 . 1 1 14 14 G H3' H 1 4.318 0.005 . 1 . . . A 14 G H3' . 18893 1 152 . 1 1 14 14 G H8 H 1 7.351 0.005 . 1 . . . A 14 G H8 . 18893 1 153 . 1 1 14 14 G H21 H 1 7.984 0.005 . 1 . . . A 14 G H21 . 18893 1 154 . 1 1 14 14 G H22 H 1 5.936 0.005 . 1 . . . A 14 G H22 . 18893 1 155 . 1 1 14 14 G C1' C 13 87.380 0.050 . 1 . . . A 14 G C1' . 18893 1 156 . 1 1 14 14 G C8 C 13 135.640 0.050 . 1 . . . A 14 G C8 . 18893 1 157 . 1 1 14 14 G N1 N 15 144.724 0.050 . 1 . . . A 14 G N1 . 18893 1 158 . 1 1 15 15 C H1' H 1 5.287 0.005 . 1 . . . A 15 C H1' . 18893 1 159 . 1 1 15 15 C H2' H 1 4.120 0.005 . 1 . . . A 15 C H2' . 18893 1 160 . 1 1 15 15 C H3' H 1 4.431 0.005 . 1 . . . A 15 C H3' . 18893 1 161 . 1 1 15 15 C H4' H 1 4.239 0.005 . 1 . . . A 15 C H4' . 18893 1 162 . 1 1 15 15 C H5 H 1 5.327 0.005 . 1 . . . A 15 C H5 . 18893 1 163 . 1 1 15 15 C H5' H 1 3.953 0.005 . 1 . . . A 15 C H5' . 18893 1 164 . 1 1 15 15 C H5'' H 1 3.932 0.005 . 1 . . . A 15 C H5'' . 18893 1 165 . 1 1 15 15 C H6 H 1 7.548 0.005 . 1 . . . A 15 C H6 . 18893 1 166 . 1 1 15 15 C H41 H 1 7.988 0.005 . 1 . . . A 15 C H41 . 18893 1 167 . 1 1 15 15 C H42 H 1 6.618 0.005 . 1 . . . A 15 C H42 . 18893 1 168 . 1 1 15 15 C C1' C 13 88.199 0.050 . 1 . . . A 15 C C1' . 18893 1 169 . 1 1 15 15 C C5 C 13 92.460 0.050 . 1 . . . A 15 C C5 . 18893 1 170 . 1 1 15 15 C C6 C 13 135.993 0.050 . 1 . . . A 15 C C6 . 18893 1 171 . 1 1 16 16 A H1' H 1 5.737 0.005 . 1 . . . A 16 A H1' . 18893 1 172 . 1 1 16 16 A H2 H 1 7.219 0.005 . 1 . . . A 16 A H2 . 18893 1 173 . 1 1 16 16 A H2' H 1 4.290 0.005 . 1 . . . A 16 A H2' . 18893 1 174 . 1 1 16 16 A H3' H 1 4.149 0.005 . 1 . . . A 16 A H3' . 18893 1 175 . 1 1 16 16 A H4' H 1 4.337 0.005 . 1 . . . A 16 A H4' . 18893 1 176 . 1 1 16 16 A H5' H 1 3.947 0.005 . 1 . . . A 16 A H5' . 18893 1 177 . 1 1 16 16 A H5'' H 1 3.833 0.005 . 1 . . . A 16 A H5'' . 18893 1 178 . 1 1 16 16 A H8 H 1 7.787 0.005 . 1 . . . A 16 A H8 . 18893 1 179 . 1 1 16 16 A C1' C 13 87.380 0.050 . 1 . . . A 16 A C1' . 18893 1 180 . 1 1 16 16 A C2 C 13 147.958 0.050 . 1 . . . A 16 A C2 . 18893 1 181 . 1 1 16 16 A C8 C 13 133.743 0.050 . 1 . . . A 16 A C8 . 18893 1 182 . 1 1 17 17 C H1' H 1 5.167 0.005 . 1 . . . A 17 C H1' . 18893 1 183 . 1 1 17 17 C H2' H 1 3.982 0.005 . 1 . . . A 17 C H2' . 18893 1 184 . 1 1 17 17 C H3' H 1 4.506 0.005 . 1 . . . A 17 C H3' . 18893 1 185 . 1 1 17 17 C H4' H 1 4.178 0.005 . 1 . . . A 17 C H4' . 18893 1 186 . 1 1 17 17 C H5 H 1 5.028 0.005 . 1 . . . A 17 C H5 . 18893 1 187 . 1 1 17 17 C H5'' H 1 3.855 0.005 . 1 . . . A 17 C H5'' . 18893 1 188 . 1 1 17 17 C H6 H 1 7.280 0.005 . 1 . . . A 17 C H6 . 18893 1 189 . 1 1 17 17 C H41 H 1 7.977 0.005 . 1 . . . A 17 C H41 . 18893 1 190 . 1 1 17 17 C H42 H 1 6.574 0.005 . 1 . . . A 17 C H42 . 18893 1 191 . 1 1 17 17 C C1' C 13 87.996 0.050 . 1 . . . A 17 C C1' . 18893 1 192 . 1 1 17 17 C C5 C 13 91.874 0.050 . 1 . . . A 17 C C5 . 18893 1 193 . 1 1 17 17 C C6 C 13 135.225 0.050 . 1 . . . A 17 C C6 . 18893 1 194 . 1 1 18 18 U H1' H 1 5.335 0.005 . 1 . . . A 18 U H1' . 18893 1 195 . 1 1 18 18 U H2' H 1 4.451 0.005 . 1 . . . A 18 U H2' . 18893 1 196 . 1 1 18 18 U H3 H 1 13.230 0.005 . 1 . . . A 18 U H3 . 18893 1 197 . 1 1 18 18 U H3' H 1 4.325 0.005 . 1 . . . A 18 U H3' . 18893 1 198 . 1 1 18 18 U H4' H 1 4.176 0.005 . 1 . . . A 18 U H4' . 18893 1 199 . 1 1 18 18 U H5 H 1 5.127 0.005 . 1 . . . A 18 U H5 . 18893 1 200 . 1 1 18 18 U H6 H 1 7.563 0.005 . 1 . . . A 18 U H6 . 18893 1 201 . 1 1 18 18 U C1' C 13 88.199 0.050 . 1 . . . A 18 U C1' . 18893 1 202 . 1 1 18 18 U C5 C 13 98.311 0.050 . 1 . . . A 18 U C5 . 18893 1 203 . 1 1 18 18 U C6 C 13 138.380 0.050 . 1 . . . A 18 U C6 . 18893 1 204 . 1 1 18 18 U N3 N 15 160.759 0.050 . 1 . . . A 18 U N3 . 18893 1 205 . 1 1 19 19 G H1 H 1 11.537 0.005 . 1 . . . A 19 G H1 . 18893 1 206 . 1 1 19 19 G H1' H 1 5.442 0.005 . 1 . . . A 19 G H1' . 18893 1 207 . 1 1 19 19 G H2' H 1 4.343 0.005 . 1 . . . A 19 G H2' . 18893 1 208 . 1 1 19 19 G H3' H 1 4.253 0.005 . 1 . . . A 19 G H3' . 18893 1 209 . 1 1 19 19 G H4' H 1 4.292 0.005 . 1 . . . A 19 G H4' . 18893 1 210 . 1 1 19 19 G H5' H 1 3.938 0.005 . 1 . . . A 19 G H5' . 18893 1 211 . 1 1 19 19 G H5'' H 1 3.888 0.005 . 1 . . . A 19 G H5'' . 18893 1 212 . 1 1 19 19 G H8 H 1 7.382 0.005 . 1 . . . A 19 G H8 . 18893 1 213 . 1 1 19 19 G H21 H 1 7.383 0.005 . 1 . . . A 19 G H21 . 18893 1 214 . 1 1 19 19 G H22 H 1 5.582 0.005 . 1 . . . A 19 G H22 . 18893 1 215 . 1 1 19 19 G C1' C 13 87.241 0.050 . 1 . . . A 19 G C1' . 18893 1 216 . 1 1 19 19 G C8 C 13 130.688 0.050 . 1 . . . A 19 G C8 . 18893 1 217 . 1 1 19 19 G N1 N 15 145.944 0.050 . 1 . . . A 19 G N1 . 18893 1 218 . 1 1 20 20 A H1' H 1 5.704 0.005 . 1 . . . A 20 A H1' . 18893 1 219 . 1 1 20 20 A H2 H 1 7.472 0.005 . 1 . . . A 20 A H2 . 18893 1 220 . 1 1 20 20 A H2' H 1 4.418 0.005 . 1 . . . A 20 A H2' . 18893 1 221 . 1 1 20 20 A H3' H 1 4.306 0.005 . 1 . . . A 20 A H3' . 18893 1 222 . 1 1 20 20 A H4' H 1 4.296 0.005 . 1 . . . A 20 A H4' . 18893 1 223 . 1 1 20 20 A H5'' H 1 3.916 0.005 . 1 . . . A 20 A H5'' . 18893 1 224 . 1 1 20 20 A H8 H 1 7.495 0.005 . 1 . . . A 20 A H8 . 18893 1 225 . 1 1 20 20 A H61 H 1 7.321 0.005 . 1 . . . A 20 A H61 . 18893 1 226 . 1 1 20 20 A H62 H 1 5.224 0.005 . 1 . . . A 20 A H62 . 18893 1 227 . 1 1 20 20 A C1' C 13 87.393 0.050 . 1 . . . A 20 A C1' . 18893 1 228 . 1 1 20 20 A C2 C 13 148.710 0.050 . 1 . . . A 20 A C2 . 18893 1 229 . 1 1 20 20 A C8 C 13 133.773 0.050 . 1 . . . A 20 A C8 . 18893 1 230 . 1 1 21 21 G H1 H 1 10.590 0.005 . 1 . . . A 21 G H1 . 18893 1 231 . 1 1 21 21 G H1' H 1 5.320 0.005 . 1 . . . A 21 G H1' . 18893 1 232 . 1 1 21 21 G H2' H 1 4.352 0.005 . 1 . . . A 21 G H2' . 18893 1 233 . 1 1 21 21 G H3' H 1 4.112 0.005 . 1 . . . A 21 G H3' . 18893 1 234 . 1 1 21 21 G H4' H 1 4.256 0.005 . 1 . . . A 21 G H4' . 18893 1 235 . 1 1 21 21 G H5' H 1 4.245 0.005 . 1 . . . A 21 G H5' . 18893 1 236 . 1 1 21 21 G H5'' H 1 3.873 0.005 . 1 . . . A 21 G H5'' . 18893 1 237 . 1 1 21 21 G H8 H 1 7.032 0.005 . 1 . . . A 21 G H8 . 18893 1 238 . 1 1 21 21 G H21 H 1 7.480 0.005 . 1 . . . A 21 G H21 . 18893 1 239 . 1 1 21 21 G H22 H 1 5.690 0.005 . 1 . . . A 21 G H22 . 18893 1 240 . 1 1 21 21 G C1' C 13 88.088 0.050 . 1 . . . A 21 G C1' . 18893 1 241 . 1 1 21 21 G C8 C 13 130.935 0.050 . 1 . . . A 21 G C8 . 18893 1 242 . 1 1 21 21 G N1 N 15 144.250 0.050 . 1 . . . A 21 G N1 . 18893 1 243 . 1 1 22 22 C H1' H 1 5.159 0.005 . 1 . . . A 22 C H1' . 18893 1 244 . 1 1 22 22 C H2' H 1 4.159 0.005 . 1 . . . A 22 C H2' . 18893 1 245 . 1 1 22 22 C H3' H 1 4.345 0.005 . 1 . . . A 22 C H3' . 18893 1 246 . 1 1 22 22 C H4' H 1 4.329 0.005 . 1 . . . A 22 C H4' . 18893 1 247 . 1 1 22 22 C H5 H 1 5.156 0.005 . 1 . . . A 22 C H5 . 18893 1 248 . 1 1 22 22 C H6 H 1 7.471 0.005 . 1 . . . A 22 C H6 . 18893 1 249 . 1 1 22 22 C H41 H 1 7.928 0.005 . 1 . . . A 22 C H41 . 18893 1 250 . 1 1 22 22 C H42 H 1 6.526 0.005 . 1 . . . A 22 C H42 . 18893 1 251 . 1 1 22 22 C C1' C 13 88.217 0.050 . 1 . . . A 22 C C1' . 18893 1 252 . 1 1 22 22 C C5 C 13 92.089 0.050 . 1 . . . A 22 C C5 . 18893 1 253 . 1 1 22 22 C C6 C 13 135.980 0.050 . 1 . . . A 22 C C6 . 18893 1 254 . 1 1 23 23 A H1' H 1 5.712 0.005 . 1 . . . A 23 A H1' . 18893 1 255 . 1 1 23 23 A H2 H 1 7.090 0.005 . 1 . . . A 23 A H2 . 18893 1 256 . 1 1 23 23 A H2' H 1 4.261 0.005 . 1 . . . A 23 A H2' . 18893 1 257 . 1 1 23 23 A H3' H 1 4.505 0.005 . 1 . . . A 23 A H3' . 18893 1 258 . 1 1 23 23 A H4' H 1 4.290 0.005 . 1 . . . A 23 A H4' . 18893 1 259 . 1 1 23 23 A H5'' H 1 3.931 0.005 . 1 . . . A 23 A H5'' . 18893 1 260 . 1 1 23 23 A H8 H 1 7.790 0.005 . 1 . . . A 23 A H8 . 18893 1 261 . 1 1 23 23 A H61 H 1 7.546 0.005 . 1 . . . A 23 A H61 . 18893 1 262 . 1 1 23 23 A H62 H 1 6.114 0.005 . 1 . . . A 23 A H62 . 18893 1 263 . 1 1 23 23 A C1' C 13 87.319 0.050 . 1 . . . A 23 A C1' . 18893 1 264 . 1 1 23 23 A C2 C 13 147.629 0.050 . 1 . . . A 23 A C2 . 18893 1 265 . 1 1 23 23 A C8 C 13 133.920 0.050 . 1 . . . A 23 A C8 . 18893 1 266 . 1 1 24 24 U H1' H 1 5.255 0.005 . 1 . . . A 24 U H1' . 18893 1 267 . 1 1 24 24 U H2' H 1 4.176 0.005 . 1 . . . A 24 U H2' . 18893 1 268 . 1 1 24 24 U H3 H 1 12.867 0.005 . 1 . . . A 24 U H3 . 18893 1 269 . 1 1 24 24 U H3' H 1 4.257 0.005 . 1 . . . A 24 U H3' . 18893 1 270 . 1 1 24 24 U H4' H 1 4.492 0.005 . 1 . . . A 24 U H4' . 18893 1 271 . 1 1 24 24 U H5 H 1 4.877 0.005 . 1 . . . A 24 U H5 . 18893 1 272 . 1 1 24 24 U H6 H 1 7.469 0.005 . 1 . . . A 24 U H6 . 18893 1 273 . 1 1 24 24 U C1' C 13 87.584 0.050 . 1 . . . A 24 U C1' . 18893 1 274 . 1 1 24 24 U C5 C 13 97.268 0.050 . 1 . . . A 24 U C5 . 18893 1 275 . 1 1 24 24 U C6 C 13 137.305 0.050 . 1 . . . A 24 U C6 . 18893 1 276 . 1 1 24 24 U N3 N 15 160.721 0.050 . 1 . . . A 24 U N3 . 18893 1 277 . 1 1 25 25 A H1' H 1 5.794 0.005 . 1 . . . A 25 A H1' . 18893 1 278 . 1 1 25 25 A H2 H 1 6.933 0.005 . 1 . . . A 25 A H2 . 18893 1 279 . 1 1 25 25 A H2' H 1 4.307 0.005 . 1 . . . A 25 A H2' . 18893 1 280 . 1 1 25 25 A H3' H 1 4.475 0.005 . 1 . . . A 25 A H3' . 18893 1 281 . 1 1 25 25 A H8 H 1 7.945 0.005 . 1 . . . A 25 A H8 . 18893 1 282 . 1 1 25 25 A H61 H 1 7.564 0.005 . 1 . . . A 25 A H61 . 18893 1 283 . 1 1 25 25 A H62 H 1 6.103 0.005 . 1 . . . A 25 A H62 . 18893 1 284 . 1 1 25 25 A C1' C 13 84.439 0.050 . 1 . . . A 25 A C1' . 18893 1 285 . 1 1 25 25 A C2 C 13 147.861 0.050 . 1 . . . A 25 A C2 . 18893 1 286 . 1 1 25 25 A C8 C 13 134.200 0.050 . 1 . . . A 25 A C8 . 18893 1 287 . 1 1 26 26 C H1' H 1 5.171 0.005 . 1 . . . A 26 C H1' . 18893 1 288 . 1 1 26 26 C H2' H 1 3.974 0.005 . 1 . . . A 26 C H2' . 18893 1 289 . 1 1 26 26 C H3' H 1 4.173 0.005 . 1 . . . A 26 C H3' . 18893 1 290 . 1 1 26 26 C H4' H 1 4.196 0.005 . 1 . . . A 26 C H4' . 18893 1 291 . 1 1 26 26 C H5 H 1 5.000 0.005 . 1 . . . A 26 C H5 . 18893 1 292 . 1 1 26 26 C H5'' H 1 3.869 0.005 . 1 . . . A 26 C H5'' . 18893 1 293 . 1 1 26 26 C H6 H 1 7.359 0.005 . 1 . . . A 26 C H6 . 18893 1 294 . 1 1 26 26 C H41 H 1 8.013 0.005 . 1 . . . A 26 C H41 . 18893 1 295 . 1 1 26 26 C H42 H 1 6.632 0.005 . 1 . . . A 26 C H42 . 18893 1 296 . 1 1 26 26 C C1' C 13 88.140 0.050 . 1 . . . A 26 C C1' . 18893 1 297 . 1 1 26 26 C C5 C 13 91.662 0.050 . 1 . . . A 26 C C5 . 18893 1 298 . 1 1 26 26 C C6 C 13 135.125 0.050 . 1 . . . A 26 C C6 . 18893 1 299 . 1 1 27 27 U H1' H 1 5.333 0.005 . 1 . . . A 27 U H1' . 18893 1 300 . 1 1 27 27 U H2' H 1 4.290 0.005 . 1 . . . A 27 U H2' . 18893 1 301 . 1 1 27 27 U H3 H 1 13.752 0.005 . 1 . . . A 27 U H3 . 18893 1 302 . 1 1 27 27 U H3' H 1 4.324 0.005 . 1 . . . A 27 U H3' . 18893 1 303 . 1 1 27 27 U H4' H 1 4.216 0.005 . 1 . . . A 27 U H4' . 18893 1 304 . 1 1 27 27 U H5 H 1 5.112 0.005 . 1 . . . A 27 U H5 . 18893 1 305 . 1 1 27 27 U H5'' H 1 3.875 0.005 . 1 . . . A 27 U H5'' . 18893 1 306 . 1 1 27 27 U H6 H 1 7.711 0.005 . 1 . . . A 27 U H6 . 18893 1 307 . 1 1 27 27 U C1' C 13 87.731 0.050 . 1 . . . A 27 U C1' . 18893 1 308 . 1 1 27 27 U C5 C 13 97.721 0.050 . 1 . . . A 27 U C5 . 18893 1 309 . 1 1 27 27 U C6 C 13 136.903 0.050 . 1 . . . A 27 U C6 . 18893 1 310 . 1 1 27 27 U N3 N 15 162.052 0.050 . 1 . . . A 27 U N3 . 18893 1 311 . 1 1 28 28 C H1' H 1 5.390 0.005 . 1 . . . A 28 C H1' . 18893 1 312 . 1 1 28 28 C H2' H 1 4.013 0.005 . 1 . . . A 28 C H2' . 18893 1 313 . 1 1 28 28 C H3' H 1 4.260 0.005 . 1 . . . A 28 C H3' . 18893 1 314 . 1 1 28 28 C H4' H 1 4.220 0.005 . 1 . . . A 28 C H4' . 18893 1 315 . 1 1 28 28 C H5 H 1 5.434 0.005 . 1 . . . A 28 C H5 . 18893 1 316 . 1 1 28 28 C H5'' H 1 3.866 0.005 . 1 . . . A 28 C H5'' . 18893 1 317 . 1 1 28 28 C H6 H 1 7.715 0.005 . 1 . . . A 28 C H6 . 18893 1 318 . 1 1 28 28 C H41 H 1 8.041 0.005 . 1 . . . A 28 C H41 . 18893 1 319 . 1 1 28 28 C H42 H 1 6.641 0.005 . 1 . . . A 28 C H42 . 18893 1 320 . 1 1 28 28 C C1' C 13 88.554 0.050 . 1 . . . A 28 C C1' . 18893 1 321 . 1 1 28 28 C C5 C 13 91.851 0.050 . 1 . . . A 28 C C5 . 18893 1 322 . 1 1 28 28 C C6 C 13 136.116 0.050 . 1 . . . A 28 C C6 . 18893 1 323 . 1 1 29 29 C H1' H 1 5.516 0.005 . 1 . . . A 29 C H1' . 18893 1 324 . 1 1 29 29 C H2' H 1 3.786 0.005 . 1 . . . A 29 C H2' . 18893 1 325 . 1 1 29 29 C H3' H 1 3.815 0.005 . 1 . . . A 29 C H3' . 18893 1 326 . 1 1 29 29 C H4' H 1 3.966 0.005 . 1 . . . A 29 C H4' . 18893 1 327 . 1 1 29 29 C H5 H 1 5.272 0.005 . 1 . . . A 29 C H5 . 18893 1 328 . 1 1 29 29 C H6 H 1 7.460 0.005 . 1 . . . A 29 C H6 . 18893 1 329 . 1 1 29 29 C H41 H 1 8.026 0.005 . 1 . . . A 29 C H41 . 18893 1 330 . 1 1 29 29 C H42 H 1 6.596 0.005 . 1 . . . A 29 C H42 . 18893 1 331 . 1 1 29 29 C C1' C 13 87.325 0.050 . 1 . . . A 29 C C1' . 18893 1 332 . 1 1 29 29 C C5 C 13 92.534 0.050 . 1 . . . A 29 C C5 . 18893 1 333 . 1 1 29 29 C C6 C 13 135.459 0.050 . 1 . . . A 29 C C6 . 18893 1 334 . 2 2 1 1 C H1' H 1 5.204 0.005 . 1 . . . . 59 C H1' . 18893 1 335 . 2 2 1 1 C H2' H 1 4.336 0.005 . 1 . . . . 59 C H2' . 18893 1 336 . 2 2 1 1 C H3' H 1 4.422 0.005 . 1 . . . . 59 C H3' . 18893 1 337 . 2 2 1 1 C H4' H 1 4.154 0.005 . 1 . . . . 59 C H4' . 18893 1 338 . 2 2 1 1 C H5 H 1 4.957 0.005 . 1 . . . . 59 C H5 . 18893 1 339 . 2 2 1 1 C H5' H 1 3.911 0.005 . 1 . . . . 59 C H5' . 18893 1 340 . 2 2 1 1 C H5'' H 1 3.688 0.005 . 1 . . . . 59 C H5'' . 18893 1 341 . 2 2 1 1 C H6 H 1 7.319 0.005 . 1 . . . . 59 C H6 . 18893 1 342 . 2 2 1 1 C H41 H 1 7.734 0.005 . 1 . . . . 59 C H41 . 18893 1 343 . 2 2 1 1 C H42 H 1 6.432 0.005 . 1 . . . . 59 C H42 . 18893 1 344 . 2 2 2 2 A H1' H 1 5.681 0.005 . 1 . . . . 60 A H1' . 18893 1 345 . 2 2 2 2 A H2 H 1 6.840 0.005 . 1 . . . . 60 A H2 . 18893 1 346 . 2 2 2 2 A H2' H 1 4.504 0.005 . 1 . . . . 60 A H2' . 18893 1 347 . 2 2 2 2 A H3' H 1 4.559 0.005 . 1 . . . . 60 A H3' . 18893 1 348 . 2 2 2 2 A H4' H 1 4.409 0.005 . 1 . . . . 60 A H4' . 18893 1 349 . 2 2 2 2 A H5' H 1 4.383 0.005 . 1 . . . . 60 A H5' . 18893 1 350 . 2 2 2 2 A H5'' H 1 4.004 0.005 . 1 . . . . 60 A H5'' . 18893 1 351 . 2 2 2 2 A H8 H 1 7.845 0.005 . 1 . . . . 60 A H8 . 18893 1 352 . 2 2 2 2 A H61 H 1 7.973 0.005 . 1 . . . . 60 A H61 . 18893 1 353 . 2 2 2 2 A H62 H 1 6.581 0.005 . 1 . . . . 60 A H62 . 18893 1 354 . 2 2 3 3 G H1 H 1 12.997 0.005 . 1 . . . . 61 G H1 . 18893 1 355 . 2 2 3 3 G H1' H 1 5.453 0.005 . 1 . . . . 61 G H1' . 18893 1 356 . 2 2 3 3 G H2' H 1 4.335 0.005 . 1 . . . . 61 G H2' . 18893 1 357 . 2 2 3 3 G H3' H 1 4.314 0.005 . 1 . . . . 61 G H3' . 18893 1 358 . 2 2 3 3 G H4' H 1 4.096 0.005 . 1 . . . . 61 G H4' . 18893 1 359 . 2 2 3 3 G H5'' H 1 3.920 0.005 . 1 . . . . 61 G H5'' . 18893 1 360 . 2 2 3 3 G H8 H 1 7.177 0.005 . 1 . . . . 61 G H8 . 18893 1 361 . 2 2 3 3 G H21 H 1 7.989 0.005 . 1 . . . . 61 G H21 . 18893 1 362 . 2 2 3 3 G H22 H 1 5.869 0.005 . 1 . . . . 61 G H22 . 18893 1 363 . 2 2 4 4 U H1' H 1 5.320 0.005 . 1 . . . . 62 U H1' . 18893 1 364 . 2 2 4 4 U H2' H 1 4.405 0.005 . 1 . . . . 62 U H2' . 18893 1 365 . 2 2 4 4 U H3 H 1 13.164 0.005 . 1 . . . . 62 U H3 . 18893 1 366 . 2 2 4 4 U H3' H 1 4.293 0.005 . 1 . . . . 62 U H3' . 18893 1 367 . 2 2 4 4 U H4' H 1 4.097 0.005 . 1 . . . . 62 U H4' . 18893 1 368 . 2 2 4 4 U H5 H 1 4.818 0.005 . 1 . . . . 62 U H5 . 18893 1 369 . 2 2 4 4 U H5'' H 1 3.890 0.005 . 1 . . . . 62 U H5'' . 18893 1 370 . 2 2 4 4 U H6 H 1 7.467 0.005 . 1 . . . . 62 U H6 . 18893 1 371 . 2 2 5 5 G H1 H 1 12.515 0.005 . 1 . . . . 63 G H1 . 18893 1 372 . 2 2 5 5 G H1' H 1 5.570 0.005 . 1 . . . . 63 G H1' . 18893 1 373 . 2 2 5 5 G H2' H 1 4.376 0.005 . 1 . . . . 63 G H2' . 18893 1 374 . 2 2 5 5 G H3' H 1 4.209 0.005 . 1 . . . . 63 G H3' . 18893 1 375 . 2 2 5 5 G H4' H 1 4.280 0.005 . 1 . . . . 63 G H4' . 18893 1 376 . 2 2 5 5 G H5' H 1 3.914 0.005 . 1 . . . . 63 G H5' . 18893 1 377 . 2 2 5 5 G H5'' H 1 3.867 0.005 . 1 . . . . 63 G H5'' . 18893 1 378 . 2 2 5 5 G H8 H 1 7.333 0.005 . 1 . . . . 63 G H8 . 18893 1 379 . 2 2 5 5 G H21 H 1 7.500 0.005 . 1 . . . . 63 G H21 . 18893 1 380 . 2 2 5 5 G H22 H 1 5.611 0.005 . 1 . . . . 63 G H22 . 18893 1 381 . 2 2 6 6 U H1' H 1 5.192 0.005 . 1 . . . . 64 U H1' . 18893 1 382 . 2 2 6 6 U H2' H 1 3.880 0.005 . 1 . . . . 64 U H2' . 18893 1 383 . 2 2 6 6 U H3 H 1 11.970 0.005 . 1 . . . . 64 U H3 . 18893 1 384 . 2 2 6 6 U H3' H 1 4.287 0.005 . 1 . . . . 64 U H3' . 18893 1 385 . 2 2 6 6 U H4' H 1 4.173 0.005 . 1 . . . . 64 U H4' . 18893 1 386 . 2 2 6 6 U H5 H 1 5.226 0.005 . 1 . . . . 64 U H5 . 18893 1 387 . 2 2 6 6 U H6 H 1 7.564 0.005 . 1 . . . . 64 U H6 . 18893 1 388 . 2 2 7 7 C H1' H 1 5.669 0.005 . 1 . . . . 65 C H1' . 18893 1 389 . 2 2 7 7 C H2' H 1 3.773 0.005 . 1 . . . . 65 C H2' . 18893 1 390 . 2 2 7 7 C H3' H 1 3.913 0.005 . 1 . . . . 65 C H3' . 18893 1 391 . 2 2 7 7 C H4' H 1 4.020 0.005 . 1 . . . . 65 C H4' . 18893 1 392 . 2 2 7 7 C H5 H 1 5.442 0.005 . 1 . . . . 65 C H5 . 18893 1 393 . 2 2 7 7 C H5' H 1 4.305 0.005 . 1 . . . . 65 C H5' . 18893 1 394 . 2 2 7 7 C H5'' H 1 3.827 0.005 . 1 . . . . 65 C H5'' . 18893 1 395 . 2 2 7 7 C H6 H 1 7.545 0.005 . 1 . . . . 65 C H6 . 18893 1 396 . 2 2 7 7 C H41 H 1 8.151 0.005 . 1 . . . . 65 C H41 . 18893 1 397 . 2 2 7 7 C H42 H 1 6.608 0.005 . 1 . . . . 65 C H42 . 18893 1 stop_ save_