data_18881 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18881 _Entry.Title ; NMR solution structure of the d3'-hairpin from the Sc.ai5gamma group II intron including the EBS1:dIBS1 RNA:DNA hybrid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-07 _Entry.Accession_date 2012-12-07 _Entry.Last_release_date 2014-06-09 _Entry.Original_release_date 2014-06-09 _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 Miriam Skilandat . . . 18881 2 Roland Sigel . 'K. O.' . 18881 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' . 18881 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 18881 'group II intron' . 18881 hybrid . 18881 retrohoming . 18881 'reverse splicing' . 18881 ribozyme . 18881 RNA . 18881 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18881 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 56 18881 '15N chemical shifts' 41 18881 '1H chemical shifts' 288 18881 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 . . 2014-06-09 2012-12-07 original author . 18881 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K65 . 18881 PDB 2K66 . 18881 PDB 2M23 . 18881 PDB 2M24 . 18881 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18881 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Determinants of DNA cleavage site recognition in group II intron retrohoming - Solution structure and metal-ion binding sites of the Sc.ai5gamma RNA:DNA contact' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _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 . _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 Miriam Skilandat . . . 18881 1 2 Roland Sigel . 'K. O.' . 18881 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18881 _Assembly.ID 1 _Assembly.Name 'd3'-hairpin from the Sc.ai5gamma group II intron including the EBS1:dIBS1 RNA:DNA hybrid' _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 . . . 18881 1 2 DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') 2 $DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') B . yes native no no . . . 18881 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(29-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(29-MER) _Entity.Entry_ID 18881 _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 . _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 . _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 1 G . 18881 1 2 2 G . 18881 1 3 3 A . 18881 1 4 4 G . 18881 1 5 5 U . 18881 1 6 6 A . 18881 1 7 7 U . 18881 1 8 8 G . 18881 1 9 9 U . 18881 1 10 10 A . 18881 1 11 11 U . 18881 1 12 12 U . 18881 1 13 13 G . 18881 1 14 14 G . 18881 1 15 15 C . 18881 1 16 16 A . 18881 1 17 17 C . 18881 1 18 18 U . 18881 1 19 19 G . 18881 1 20 20 A . 18881 1 21 21 G . 18881 1 22 22 C . 18881 1 23 23 A . 18881 1 24 24 U . 18881 1 25 25 A . 18881 1 26 26 C . 18881 1 27 27 U . 18881 1 28 28 C . 18881 1 29 29 C . 18881 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 18881 1 . G 2 2 18881 1 . A 3 3 18881 1 . G 4 4 18881 1 . U 5 5 18881 1 . A 6 6 18881 1 . U 7 7 18881 1 . G 8 8 18881 1 . U 9 9 18881 1 . A 10 10 18881 1 . U 11 11 18881 1 . U 12 12 18881 1 . G 13 13 18881 1 . G 14 14 18881 1 . C 15 15 18881 1 . A 16 16 18881 1 . C 17 17 18881 1 . U 18 18 18881 1 . G 19 19 18881 1 . A 20 20 18881 1 . G 21 21 18881 1 . C 22 22 18881 1 . A 23 23 18881 1 . U 24 24 18881 1 . A 25 25 18881 1 . C 26 26 18881 1 . U 27 27 18881 1 . C 28 28 18881 1 . C 29 29 18881 1 stop_ save_ save_DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') _Entity.Sf_category entity _Entity.Sf_framecode DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') _Entity.Entry_ID 18881 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CAGTGTC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment dIBS1 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2113.428 _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 30 DC . 18881 2 2 31 DA . 18881 2 3 32 DG . 18881 2 4 33 DT . 18881 2 5 34 DG . 18881 2 6 35 DT . 18881 2 7 36 DC . 18881 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 . DC 1 1 18881 2 . DA 2 2 18881 2 . DG 3 3 18881 2 . DT 4 4 18881 2 . DG 5 5 18881 2 . DT 6 6 18881 2 . DC 7 7 18881 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 18881 _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 . Saccharomyces cerevisiae Fungi . . . . . . . . . . . . . . . cox1 . 'mitochondrial genome' . . 18881 1 2 2 $DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota . Saccharomyces cerevisiae Fungi . . . . . . . . . . . . . . . cox1 . 'mitochondrial genome' . . 18881 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 18881 _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' . . . . . . . . . . . . . . . . . . . . . . . . . 'the sequence was produced by in vitro transcription from a synthetic double-stranded DNA template using T7 RNA Polymerase' . . 18881 1 2 2 $DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 18881 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18881 _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) . . . 0.6 0.9 mM . . . . 18881 1 2 DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') 'natural abundance' . . 2 $DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') . . . 0.7 1.0 mM . . . . 18881 1 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18881 1 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18881 1 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18881 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18881 _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) . . . 0.6 0.9 mM . . . . 18881 2 2 DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') 'natural abundance' . . 2 $DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') . . . 0.7 1.0 mM . . . . 18881 2 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18881 2 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18881 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18881 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18881 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18881 _Sample.ID 3 _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) . . . 0.6 0.9 mM . . . . 18881 3 2 DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') 'natural abundance' . . 2 $DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') . . . 0.7 1.0 mM . . . . 18881 3 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18881 3 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18881 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18881 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18881 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18881 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA_(29-MER) 'natural abundance' . . 1 $RNA_(29-MER) . . . 0.5 1.0 mM . . . . 18881 4 2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 18881 4 3 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18881 4 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18881 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 18881 _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 0.9 mM . . . . 18881 5 2 DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') 'natural abundance' . . . . . . 0.7-1.0 . . mM . . . . 18881 5 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18881 5 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18881 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 18881 _Sample.ID 6 _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) . . . 0.6 0.9 mM . . . . 18881 6 2 DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') 'natural abundance' . . 2 $DNA_(5'-D(*CP*AP*GP*TP*GP*TP*C)-3') . . . 0.7 1.0 mM . . . . 18881 6 3 'potassium chloride' 'natural abundance' . . . . . . 110 . . mM . . . . 18881 6 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18881 6 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18881 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 18881 _Sample.ID 7 _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 1.0 mM . . . . 18881 7 2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 18881 7 3 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18881 7 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18881 7 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18881 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 18881 _Sample.ID 8 _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 1.0 mM . . . . 18881 8 2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 18881 8 3 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 18881 8 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18881 8 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18881 8 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18881 _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 18881 1 pD 6.8 . pH 18881 1 pressure 1 . atm 18881 1 temperature 298 . K 18881 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18881 _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 18881 2 pH 6.8 . pH 18881 2 pressure 1 . atm 18881 2 temperature 298 . K 18881 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 18881 _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 18881 3 pH 6.8 . pH 18881 3 pressure 1 . atm 18881 3 temperature 278 . K 18881 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 18881 _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 18881 4 pH 6.8 . pH 18881 4 pressure 1 . atm 18881 4 temperature 293 . K 18881 4 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18881 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18881 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18881 1 processing 18881 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18881 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18881 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18881 2 'data analysis' 18881 2 'peak picking' 18881 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 18881 _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' . . 18881 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18881 3 'structure solution' 18881 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18881 _Software.ID 4 _Software.Name CNS _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' . . 18881 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18881 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18881 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18881 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18881 5 'structure solution' 18881 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 18881 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'CRYO TXI inverse triple-resonance with actively shielded z-gradient coil' _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 18881 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'CRYO TCI inverse triple-resonance with actively shielded z-gradient coil' _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 18881 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'CRYO 5 mm QNP with actively shielded z-gradient coil' _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 18881 _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 inverse triple-resonance with actively shielded z-gradient coil' . . 18881 1 2 spectrometer_2 Bruker Avance . 600 'CRYO TCI inverse triple-resonance with actively shielded z-gradient coil' . . 18881 1 3 spectrometer_3 Bruker Avance . 500 'CRYO 5 mm QNP with actively shielded z-gradient coil' . . 18881 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 18881 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18881 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18881 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 6 $sample_6 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 6 $sample_6 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 16 '1D 31P' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18881 1 17 'F1, F2 X-filtered 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 18 'F1, F2 X-filtered 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18881 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 18881 _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' . . . . . . . . 18881 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18881 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18881 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18881 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 18881 1 7 '2D 1H-15N HSQC' . . . 18881 1 9 '2D 1H-13C HSQC aliphatic' . . . 18881 1 10 '2D 1H-13C HSQC aromatic' . . . 18881 1 11 '2D 1H-1H NOESY' . . . 18881 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 12.436 0.005 . 1 . . . A 1 G H1 . 18881 1 2 . 1 1 1 1 G H1' H 1 5.609 0.005 . 1 . . . A 1 G H1' . 18881 1 3 . 1 1 1 1 G H2' H 1 4.738 0.005 . 1 . . . A 1 G H2' . 18881 1 4 . 1 1 1 1 G H3' H 1 4.558 0.005 . 1 . . . A 1 G H3' . 18881 1 5 . 1 1 1 1 G H4' H 1 4.362 0.005 . 1 . . . A 1 G H4' . 18881 1 6 . 1 1 1 1 G H5'' H 1 4.098 0.005 . 1 . . . A 1 G H5'' . 18881 1 7 . 1 1 1 1 G H8 H 1 7.973 0.005 . 1 . . . A 1 G H8 . 18881 1 8 . 1 1 1 1 G C1' C 13 87.642 0.050 . 1 . . . A 1 G C1' . 18881 1 9 . 1 1 1 1 G C8 C 13 133.557 0.050 . 1 . . . A 1 G C8 . 18881 1 10 . 1 1 1 1 G N1 N 15 147.329 0.050 . 1 . . . A 1 G N1 . 18881 1 11 . 1 1 1 1 G N7 N 15 230.181 0.050 . 1 . . . A 1 G N7 . 18881 1 12 . 1 1 2 2 G H1 H 1 12.098 0.005 . 1 . . . A 2 G H1 . 18881 1 13 . 1 1 2 2 G H1' H 1 5.715 0.005 . 1 . . . A 2 G H1' . 18881 1 14 . 1 1 2 2 G H2' H 1 4.475 0.005 . 1 . . . A 2 G H2' . 18881 1 15 . 1 1 2 2 G H3' H 1 4.355 0.005 . 1 . . . A 2 G H3' . 18881 1 16 . 1 1 2 2 G H4' H 1 4.373 0.005 . 1 . . . A 2 G H4' . 18881 1 17 . 1 1 2 2 G H8 H 1 7.349 0.005 . 1 . . . A 2 G H8 . 18881 1 18 . 1 1 2 2 G H21 H 1 7.840 0.005 . 1 . . . A 2 G H21 . 18881 1 19 . 1 1 2 2 G H22 H 1 5.694 0.008 . 1 . . . A 2 G H22 . 18881 1 20 . 1 1 2 2 G C1' C 13 87.338 0.050 . 1 . . . A 2 G C1' . 18881 1 21 . 1 1 2 2 G C8 C 13 131.340 0.050 . 1 . . . A 2 G C8 . 18881 1 22 . 1 1 2 2 G N1 N 15 146.633 0.050 . 1 . . . A 2 G N1 . 18881 1 23 . 1 1 2 2 G N7 N 15 233.553 0.050 . 1 . . . A 2 G N7 . 18881 1 24 . 1 1 3 3 A H1' H 1 5.808 0.005 . 1 . . . A 3 A H1' . 18881 1 25 . 1 1 3 3 A H2 H 1 7.316 0.005 . 1 . . . A 3 A H2 . 18881 1 26 . 1 1 3 3 A H2' H 1 4.550 0.005 . 1 . . . A 3 A H2' . 18881 1 27 . 1 1 3 3 A H3' H 1 4.440 0.005 . 1 . . . A 3 A H3' . 18881 1 28 . 1 1 3 3 A H4' H 1 4.335 0.005 . 1 . . . A 3 A H4' . 18881 1 29 . 1 1 3 3 A H5' H 1 3.993 0.005 . 1 . . . A 3 A H5' . 18881 1 30 . 1 1 3 3 A H5'' H 1 3.891 0.005 . 1 . . . A 3 A H5'' . 18881 1 31 . 1 1 3 3 A H8 H 1 7.581 0.005 . 1 . . . A 3 A H8 . 18881 1 32 . 1 1 3 3 A H61 H 1 8.028 0.005 . 1 . . . A 3 A H61 . 18881 1 33 . 1 1 3 3 A H62 H 1 6.646 0.005 . 1 . . . A 3 A H62 . 18881 1 34 . 1 1 3 3 A C2 C 13 147.778 0.050 . 1 . . . A 3 A C2 . 18881 1 35 . 1 1 3 3 A N1 N 15 221.085 0.050 . 1 . . . A 3 A N1 . 18881 1 36 . 1 1 3 3 A N3 N 15 212.428 0.050 . 1 . . . A 3 A N3 . 18881 1 37 . 1 1 3 3 A N7 N 15 229.950 0.050 . 1 . . . A 3 A N7 . 18881 1 38 . 1 1 4 4 G H1 H 1 13.023 0.005 . 1 . . . A 4 G H1 . 18881 1 39 . 1 1 4 4 G H1' H 1 5.387 0.005 . 1 . . . A 4 G H1' . 18881 1 40 . 1 1 4 4 G H2' H 1 4.212 0.005 . 1 . . . A 4 G H2' . 18881 1 41 . 1 1 4 4 G H3' H 1 4.167 0.005 . 1 . . . A 4 G H3' . 18881 1 42 . 1 1 4 4 G H4' H 1 4.280 0.005 . 1 . . . A 4 G H4' . 18881 1 43 . 1 1 4 4 G H5'' H 1 3.857 0.005 . 1 . . . A 4 G H5'' . 18881 1 44 . 1 1 4 4 G H8 H 1 6.906 0.005 . 1 . . . A 4 G H8 . 18881 1 45 . 1 1 4 4 G H22 H 1 6.126 0.005 . 1 . . . A 4 G H22 . 18881 1 46 . 1 1 4 4 G C1' C 13 87.388 0.050 . 1 . . . A 4 G C1' . 18881 1 47 . 1 1 4 4 G C8 C 13 130.334 0.050 . 1 . . . A 4 G C8 . 18881 1 48 . 1 1 4 4 G N1 N 15 147.777 0.050 . 1 . . . A 4 G N1 . 18881 1 49 . 1 1 4 4 G N7 N 15 234.835 0.050 . 1 . . . A 4 G N7 . 18881 1 50 . 1 1 5 5 U H1' H 1 5.327 0.005 . 1 . . . A 5 U H1' . 18881 1 51 . 1 1 5 5 U H2' H 1 4.398 0.005 . 1 . . . A 5 U H2' . 18881 1 52 . 1 1 5 5 U H3 H 1 13.166 0.005 . 1 . . . A 5 U H3 . 18881 1 53 . 1 1 5 5 U H3' H 1 4.353 0.005 . 1 . . . A 5 U H3' . 18881 1 54 . 1 1 5 5 U H4' H 1 4.365 0.005 . 1 . . . A 5 U H4' . 18881 1 55 . 1 1 5 5 U H5 H 1 4.901 0.005 . 1 . . . A 5 U H5 . 18881 1 56 . 1 1 5 5 U H6 H 1 7.506 0.005 . 1 . . . A 5 U H6 . 18881 1 57 . 1 1 5 5 U C1' C 13 87.981 0.050 . 1 . . . A 5 U C1' . 18881 1 58 . 1 1 5 5 U C5 C 13 97.433 0.050 . 1 . . . A 5 U C5 . 18881 1 59 . 1 1 5 5 U N3 N 15 161.444 0.050 . 1 . . . A 5 U N3 . 18881 1 60 . 1 1 6 6 A H1' H 1 5.813 0.005 . 1 . . . A 6 A H1' . 18881 1 61 . 1 1 6 6 A H2 H 1 6.843 0.005 . 1 . . . A 6 A H2 . 18881 1 62 . 1 1 6 6 A H2' H 1 4.308 0.005 . 1 . . . A 6 A H2' . 18881 1 63 . 1 1 6 6 A H3' H 1 4.464 0.005 . 1 . . . A 6 A H3' . 18881 1 64 . 1 1 6 6 A H4' H 1 4.358 0.005 . 1 . . . A 6 A H4' . 18881 1 65 . 1 1 6 6 A H5'' H 1 3.983 0.005 . 1 . . . A 6 A H5'' . 18881 1 66 . 1 1 6 6 A H8 H 1 7.943 0.005 . 1 . . . A 6 A H8 . 18881 1 67 . 1 1 6 6 A H61 H 1 7.546 0.005 . 1 . . . A 6 A H61 . 18881 1 68 . 1 1 6 6 A H62 H 1 6.151 0.005 . 1 . . . A 6 A H62 . 18881 1 69 . 1 1 6 6 A C2 C 13 147.561 0.050 . 1 . . . A 6 A C2 . 18881 1 70 . 1 1 6 6 A C8 C 13 134.173 0.050 . 1 . . . A 6 A C8 . 18881 1 71 . 1 1 6 6 A N1 N 15 223.060 0.050 . 1 . . . A 6 A N1 . 18881 1 72 . 1 1 6 6 A N3 N 15 212.989 0.050 . 1 . . . A 6 A N3 . 18881 1 73 . 1 1 6 6 A N7 N 15 230.899 0.050 . 1 . . . A 6 A N7 . 18881 1 74 . 1 1 7 7 U H1' H 1 5.220 0.005 . 1 . . . A 7 U H1' . 18881 1 75 . 1 1 7 7 U H2' H 1 4.352 0.005 . 1 . . . A 7 U H2' . 18881 1 76 . 1 1 7 7 U H3 H 1 13.039 0.005 . 1 . . . A 7 U H3 . 18881 1 77 . 1 1 7 7 U H3' H 1 4.314 0.005 . 1 . . . A 7 U H3' . 18881 1 78 . 1 1 7 7 U H4' H 1 4.265 0.005 . 1 . . . A 7 U H4' . 18881 1 79 . 1 1 7 7 U H5 H 1 4.848 0.005 . 1 . . . A 7 U H5 . 18881 1 80 . 1 1 7 7 U H5'' H 1 3.898 0.005 . 1 . . . A 7 U H5'' . 18881 1 81 . 1 1 7 7 U H6 H 1 7.399 0.005 . 1 . . . A 7 U H6 . 18881 1 82 . 1 1 7 7 U C1' C 13 87.566 0.050 . 1 . . . A 7 U C1' . 18881 1 83 . 1 1 7 7 U C5 C 13 97.452 0.050 . 1 . . . A 7 U C5 . 18881 1 84 . 1 1 7 7 U N3 N 15 161.508 0.050 . 1 . . . A 7 U N3 . 18881 1 85 . 1 1 8 8 G H1 H 1 12.443 0.005 . 1 . . . A 8 G H1 . 18881 1 86 . 1 1 8 8 G H1' H 1 5.524 0.005 . 1 . . . A 8 G H1' . 18881 1 87 . 1 1 8 8 G H2' H 1 4.318 0.005 . 1 . . . A 8 G H2' . 18881 1 88 . 1 1 8 8 G H3' H 1 4.217 0.005 . 1 . . . A 8 G H3' . 18881 1 89 . 1 1 8 8 G H4' H 1 4.269 0.005 . 1 . . . A 8 G H4' . 18881 1 90 . 1 1 8 8 G H5'' H 1 3.917 0.005 . 1 . . . A 8 G H5'' . 18881 1 91 . 1 1 8 8 G H8 H 1 7.350 0.005 . 1 . . . A 8 G H8 . 18881 1 92 . 1 1 8 8 G C1' C 13 87.517 0.050 . 1 . . . A 8 G C1' . 18881 1 93 . 1 1 8 8 G C8 C 13 130.415 0.050 . 1 . . . A 8 G C8 . 18881 1 94 . 1 1 8 8 G N1 N 15 147.327 0.050 . 1 . . . A 8 G N1 . 18881 1 95 . 1 1 8 8 G N7 N 15 236.074 0.050 . 1 . . . A 8 G N7 . 18881 1 96 . 1 1 9 9 U H1' H 1 5.305 0.005 . 1 . . . A 9 U H1' . 18881 1 97 . 1 1 9 9 U H2' H 1 3.621 0.005 . 1 . . . A 9 U H2' . 18881 1 98 . 1 1 9 9 U H3 H 1 11.652 0.005 . 1 . . . A 9 U H3 . 18881 1 99 . 1 1 9 9 U H3' H 1 4.389 0.005 . 1 . . . A 9 U H3' . 18881 1 100 . 1 1 9 9 U H4' H 1 4.367 0.005 . 1 . . . A 9 U H4' . 18881 1 101 . 1 1 9 9 U H5 H 1 5.175 0.005 . 1 . . . A 9 U H5 . 18881 1 102 . 1 1 9 9 U H6 H 1 7.411 0.005 . 1 . . . A 9 U H6 . 18881 1 103 . 1 1 9 9 U C2' C 13 70.654 0.050 . 1 . . . A 9 U C2' . 18881 1 104 . 1 1 9 9 U C5 C 13 98.572 0.050 . 1 . . . A 9 U C5 . 18881 1 105 . 1 1 9 9 U N3 N 15 157.725 0.050 . 1 . . . A 9 U N3 . 18881 1 106 . 1 1 10 10 A H1' H 1 5.845 0.005 . 1 . . . A 10 A H1' . 18881 1 107 . 1 1 10 10 A H2 H 1 7.756 0.005 . 1 . . . A 10 A H2 . 18881 1 108 . 1 1 10 10 A H2' H 1 4.520 0.005 . 1 . . . A 10 A H2' . 18881 1 109 . 1 1 10 10 A H3' H 1 4.640 0.005 . 1 . . . A 10 A H3' . 18881 1 110 . 1 1 10 10 A H4' H 1 4.359 0.005 . 1 . . . A 10 A H4' . 18881 1 111 . 1 1 10 10 A H5' H 1 4.153 0.005 . 1 . . . A 10 A H5' . 18881 1 112 . 1 1 10 10 A H5'' H 1 3.994 0.005 . 1 . . . A 10 A H5'' . 18881 1 113 . 1 1 10 10 A H8 H 1 8.191 0.005 . 1 . . . A 10 A H8 . 18881 1 114 . 1 1 10 10 A C1' C 13 84.330 0.050 . 1 . . . A 10 A C1' . 18881 1 115 . 1 1 10 10 A C2 C 13 150.093 0.050 . 1 . . . A 10 A C2 . 18881 1 116 . 1 1 10 10 A C8 C 13 136.170 0.050 . 1 . . . A 10 A C8 . 18881 1 117 . 1 1 10 10 A N1 N 15 228.385 0.050 . 1 . . . A 10 A N1 . 18881 1 118 . 1 1 10 10 A N3 N 15 214.844 0.050 . 1 . . . A 10 A N3 . 18881 1 119 . 1 1 10 10 A N7 N 15 232.501 0.050 . 1 . . . A 10 A N7 . 18881 1 120 . 1 1 11 11 U H1' H 1 5.732 0.005 . 1 . . . A 11 U H1' . 18881 1 121 . 1 1 11 11 U H2' H 1 4.140 0.005 . 1 . . . A 11 U H2' . 18881 1 122 . 1 1 11 11 U H3' H 1 4.474 0.005 . 1 . . . A 11 U H3' . 18881 1 123 . 1 1 11 11 U H4' H 1 4.272 0.005 . 1 . . . A 11 U H4' . 18881 1 124 . 1 1 11 11 U H5 H 1 5.579 0.005 . 1 . . . A 11 U H5 . 18881 1 125 . 1 1 11 11 U H6 H 1 7.581 0.005 . 1 . . . A 11 U H6 . 18881 1 126 . 1 1 11 11 U C1' C 13 85.185 0.050 . 1 . . . A 11 U C1' . 18881 1 127 . 1 1 11 11 U C5 C 13 99.739 0.050 . 1 . . . A 11 U C5 . 18881 1 128 . 1 1 11 11 U C6 C 13 138.010 0.050 . 1 . . . A 11 U C6 . 18881 1 129 . 1 1 12 12 U H1' H 1 5.810 0.005 . 1 . . . A 12 U H1' . 18881 1 130 . 1 1 12 12 U H2' H 1 4.327 0.005 . 1 . . . A 12 U H2' . 18881 1 131 . 1 1 12 12 U H3' H 1 4.445 0.005 . 1 . . . A 12 U H3' . 18881 1 132 . 1 1 12 12 U H4' H 1 3.980 0.005 . 1 . . . A 12 U H4' . 18881 1 133 . 1 1 12 12 U H5 H 1 5.708 0.005 . 1 . . . A 12 U H5 . 18881 1 134 . 1 1 12 12 U H6 H 1 7.642 0.005 . 1 . . . A 12 U H6 . 18881 1 135 . 1 1 12 12 U C5 C 13 100.075 0.050 . 1 . . . A 12 U C5 . 18881 1 136 . 1 1 12 12 U C6 C 13 138.530 0.050 . 1 . . . A 12 U C6 . 18881 1 137 . 1 1 13 13 G H1 H 1 11.824 0.005 . 1 . . . A 13 G H1 . 18881 1 138 . 1 1 13 13 G H1' H 1 5.599 0.005 . 1 . . . A 13 G H1' . 18881 1 139 . 1 1 13 13 G H8 H 1 7.748 0.005 . 1 . . . A 13 G H8 . 18881 1 140 . 1 1 13 13 G N1 N 15 146.630 0.050 . 1 . . . A 13 G N1 . 18881 1 141 . 1 1 14 14 G H1 H 1 10.718 0.005 . 1 . . . A 14 G H1 . 18881 1 142 . 1 1 14 14 G H1' H 1 5.626 0.005 . 1 . . . A 14 G H1' . 18881 1 143 . 1 1 14 14 G H2' H 1 4.552 0.005 . 1 . . . A 14 G H2' . 18881 1 144 . 1 1 14 14 G H3' H 1 4.302 0.005 . 1 . . . A 14 G H3' . 18881 1 145 . 1 1 14 14 G H4' H 1 4.351 0.005 . 1 . . . A 14 G H4' . 18881 1 146 . 1 1 14 14 G H8 H 1 7.385 0.005 . 1 . . . A 14 G H8 . 18881 1 147 . 1 1 14 14 G H22 H 1 5.939 0.005 . 1 . . . A 14 G H22 . 18881 1 148 . 1 1 14 14 G C8 C 13 132.040 0.050 . 1 . . . A 14 G C8 . 18881 1 149 . 1 1 14 14 G N1 N 15 145.010 0.050 . 1 . . . A 14 G N1 . 18881 1 150 . 1 1 15 15 C H1' H 1 5.255 0.005 . 1 . . . A 15 C H1' . 18881 1 151 . 1 1 15 15 C H2' H 1 4.248 0.005 . 1 . . . A 15 C H2' . 18881 1 152 . 1 1 15 15 C H4' H 1 4.367 0.005 . 1 . . . A 15 C H4' . 18881 1 153 . 1 1 15 15 C H5 H 1 5.174 0.005 . 1 . . . A 15 C H5 . 18881 1 154 . 1 1 15 15 C H6 H 1 7.487 0.005 . 1 . . . A 15 C H6 . 18881 1 155 . 1 1 15 15 C H41 H 1 7.938 0.005 . 1 . . . A 15 C H41 . 18881 1 156 . 1 1 15 15 C H42 H 1 6.568 0.005 . 1 . . . A 15 C H42 . 18881 1 157 . 1 1 15 15 C C1' C 13 87.892 0.050 . 1 . . . A 15 C C1' . 18881 1 158 . 1 1 15 15 C C5 C 13 92.076 0.050 . 1 . . . A 15 C C5 . 18881 1 159 . 1 1 16 16 A H1' H 1 5.730 0.005 . 1 . . . A 16 A H1' . 18881 1 160 . 1 1 16 16 A H2 H 1 7.231 0.005 . 1 . . . A 16 A H2 . 18881 1 161 . 1 1 16 16 A H2' H 1 4.351 0.005 . 1 . . . A 16 A H2' . 18881 1 162 . 1 1 16 16 A H3' H 1 4.466 0.005 . 1 . . . A 16 A H3' . 18881 1 163 . 1 1 16 16 A H8 H 1 7.807 0.005 . 1 . . . A 16 A H8 . 18881 1 164 . 1 1 16 16 A C2 C 13 147.810 0.050 . 1 . . . A 16 A C2 . 18881 1 165 . 1 1 16 16 A N1 N 15 222.653 0.050 . 1 . . . A 16 A N1 . 18881 1 166 . 1 1 16 16 A N3 N 15 212.638 0.050 . 1 . . . A 16 A N3 . 18881 1 167 . 1 1 16 16 A N7 N 15 230.812 0.050 . 1 . . . A 16 A N7 . 18881 1 168 . 1 1 17 17 C H1' H 1 5.123 0.005 . 1 . . . A 17 C H1' . 18881 1 169 . 1 1 17 17 C H2' H 1 4.025 0.005 . 1 . . . A 17 C H2' . 18881 1 170 . 1 1 17 17 C H3' H 1 4.117 0.005 . 1 . . . A 17 C H3' . 18881 1 171 . 1 1 17 17 C H4' H 1 4.180 0.005 . 1 . . . A 17 C H4' . 18881 1 172 . 1 1 17 17 C H5 H 1 5.024 0.005 . 1 . . . A 17 C H5 . 18881 1 173 . 1 1 17 17 C H5'' H 1 3.878 0.005 . 1 . . . A 17 C H5'' . 18881 1 174 . 1 1 17 17 C H6 H 1 7.271 0.005 . 1 . . . A 17 C H6 . 18881 1 175 . 1 1 17 17 C H41 H 1 7.863 0.005 . 1 . . . A 17 C H41 . 18881 1 176 . 1 1 17 17 C H42 H 1 6.576 0.005 . 1 . . . A 17 C H42 . 18881 1 177 . 1 1 17 17 C C1' C 13 88.177 0.050 . 1 . . . A 17 C C1' . 18881 1 178 . 1 1 17 17 C C5 C 13 91.761 0.050 . 1 . . . A 17 C C5 . 18881 1 179 . 1 1 17 17 C C6 C 13 134.941 0.050 . 1 . . . A 17 C C6 . 18881 1 180 . 1 1 18 18 U H1' H 1 5.310 0.005 . 1 . . . A 18 U H1' . 18881 1 181 . 1 1 18 18 U H2' H 1 4.431 0.005 . 1 . . . A 18 U H2' . 18881 1 182 . 1 1 18 18 U H3 H 1 13.290 0.005 . 1 . . . A 18 U H3 . 18881 1 183 . 1 1 18 18 U H3' H 1 4.343 0.005 . 1 . . . A 18 U H3' . 18881 1 184 . 1 1 18 18 U H5 H 1 5.160 0.005 . 1 . . . A 18 U H5 . 18881 1 185 . 1 1 18 18 U H5'' H 1 3.882 0.005 . 1 . . . A 18 U H5'' . 18881 1 186 . 1 1 18 18 U H6 H 1 7.631 0.005 . 1 . . . A 18 U H6 . 18881 1 187 . 1 1 18 18 U C1' C 13 87.728 0.050 . 1 . . . A 18 U C1' . 18881 1 188 . 1 1 18 18 U C5 C 13 97.965 0.050 . 1 . . . A 18 U C5 . 18881 1 189 . 1 1 18 18 U C6 C 13 135.776 0.050 . 1 . . . A 18 U C6 . 18881 1 190 . 1 1 18 18 U N3 N 15 160.947 0.050 . 1 . . . A 18 U N3 . 18881 1 191 . 1 1 19 19 G H1 H 1 11.655 0.005 . 1 . . . A 19 G H1 . 18881 1 192 . 1 1 19 19 G H1' H 1 5.512 0.005 . 1 . . . A 19 G H1' . 18881 1 193 . 1 1 19 19 G H2' H 1 4.361 0.005 . 1 . . . A 19 G H2' . 18881 1 194 . 1 1 19 19 G H3' H 1 4.269 0.005 . 1 . . . A 19 G H3' . 18881 1 195 . 1 1 19 19 G H4' H 1 4.316 0.005 . 1 . . . A 19 G H4' . 18881 1 196 . 1 1 19 19 G H8 H 1 7.460 0.005 . 1 . . . A 19 G H8 . 18881 1 197 . 1 1 19 19 G H21 H 1 7.376 0.005 . 1 . . . A 19 G H21 . 18881 1 198 . 1 1 19 19 G H22 H 1 6.817 0.005 . 1 . . . A 19 G H22 . 18881 1 199 . 1 1 19 19 G C1' C 13 86.913 0.050 . 1 . . . A 19 G C1' . 18881 1 200 . 1 1 19 19 G C8 C 13 130.706 0.050 . 1 . . . A 19 G C8 . 18881 1 201 . 1 1 19 19 G N1 N 15 146.646 0.050 . 1 . . . A 19 G N1 . 18881 1 202 . 1 1 19 19 G N7 N 15 235.462 0.050 . 1 . . . A 19 G N7 . 18881 1 203 . 1 1 20 20 A H1' H 1 5.693 0.005 . 1 . . . A 20 A H1' . 18881 1 204 . 1 1 20 20 A H2 H 1 7.486 0.005 . 1 . . . A 20 A H2 . 18881 1 205 . 1 1 20 20 A H2' H 1 4.442 0.005 . 1 . . . A 20 A H2' . 18881 1 206 . 1 1 20 20 A H3' H 1 4.269 0.005 . 1 . . . A 20 A H3' . 18881 1 207 . 1 1 20 20 A H4' H 1 4.316 0.005 . 1 . . . A 20 A H4' . 18881 1 208 . 1 1 20 20 A H8 H 1 7.508 0.005 . 1 . . . A 20 A H8 . 18881 1 209 . 1 1 20 20 A C2 C 13 148.767 0.050 . 1 . . . A 20 A C2 . 18881 1 210 . 1 1 20 20 A N1 N 15 226.859 0.050 . 1 . . . A 20 A N1 . 18881 1 211 . 1 1 20 20 A N3 N 15 213.706 0.050 . 1 . . . A 20 A N3 . 18881 1 212 . 1 1 20 20 A N7 N 15 229.905 0.050 . 1 . . . A 20 A N7 . 18881 1 213 . 1 1 21 21 G H1 H 1 10.589 0.005 . 1 . . . A 21 G H1 . 18881 1 214 . 1 1 21 21 G H1' H 1 5.246 0.005 . 1 . . . A 21 G H1' . 18881 1 215 . 1 1 21 21 G H2' H 1 4.335 0.005 . 1 . . . A 21 G H2' . 18881 1 216 . 1 1 21 21 G H3' H 1 4.117 0.005 . 1 . . . A 21 G H3' . 18881 1 217 . 1 1 21 21 G H4' H 1 4.245 0.005 . 1 . . . A 21 G H4' . 18881 1 218 . 1 1 21 21 G H5' H 1 3.952 0.005 . 1 . . . A 21 G H5' . 18881 1 219 . 1 1 21 21 G H5'' H 1 3.870 0.005 . 1 . . . A 21 G H5'' . 18881 1 220 . 1 1 21 21 G H8 H 1 6.946 0.005 . 1 . . . A 21 G H8 . 18881 1 221 . 1 1 21 21 G H21 H 1 7.499 0.005 . 1 . . . A 21 G H21 . 18881 1 222 . 1 1 21 21 G H22 H 1 5.704 0.005 . 1 . . . A 21 G H22 . 18881 1 223 . 1 1 21 21 G C1' C 13 87.549 0.050 . 1 . . . A 21 G C1' . 18881 1 224 . 1 1 21 21 G C8 C 13 130.649 0.050 . 1 . . . A 21 G C8 . 18881 1 225 . 1 1 21 21 G N1 N 15 144.954 0.050 . 1 . . . A 21 G N1 . 18881 1 226 . 1 1 21 21 G N7 N 15 234.202 0.050 . 1 . . . A 21 G N7 . 18881 1 227 . 1 1 22 22 C H1' H 1 5.175 0.005 . 1 . . . A 22 C H1' . 18881 1 228 . 1 1 22 22 C H2' H 1 4.170 0.005 . 1 . . . A 22 C H2' . 18881 1 229 . 1 1 22 22 C H3' H 1 4.266 0.005 . 1 . . . A 22 C H3' . 18881 1 230 . 1 1 22 22 C H4' H 1 4.345 0.005 . 1 . . . A 22 C H4' . 18881 1 231 . 1 1 22 22 C H5 H 1 5.238 0.005 . 1 . . . A 22 C H5 . 18881 1 232 . 1 1 22 22 C H6 H 1 7.484 0.005 . 1 . . . A 22 C H6 . 18881 1 233 . 1 1 22 22 C H41 H 1 7.974 0.005 . 1 . . . A 22 C H41 . 18881 1 234 . 1 1 22 22 C H42 H 1 6.551 0.005 . 1 . . . A 22 C H42 . 18881 1 235 . 1 1 22 22 C C1' C 13 88.108 0.050 . 1 . . . A 22 C C1' . 18881 1 236 . 1 1 22 22 C C5 C 13 92.205 0.050 . 1 . . . A 22 C C5 . 18881 1 237 . 1 1 23 23 A H1' H 1 5.732 0.005 . 1 . . . A 23 A H1' . 18881 1 238 . 1 1 23 23 A H2 H 1 7.109 0.005 . 1 . . . A 23 A H2 . 18881 1 239 . 1 1 23 23 A H2' H 1 4.268 0.005 . 1 . . . A 23 A H2' . 18881 1 240 . 1 1 23 23 A H3' H 1 4.523 0.005 . 1 . . . A 23 A H3' . 18881 1 241 . 1 1 23 23 A H4' H 1 4.367 0.005 . 1 . . . A 23 A H4' . 18881 1 242 . 1 1 23 23 A H8 H 1 7.816 0.005 . 1 . . . A 23 A H8 . 18881 1 243 . 1 1 23 23 A H61 H 1 7.525 0.005 . 1 . . . A 23 A H61 . 18881 1 244 . 1 1 23 23 A H62 H 1 6.093 0.005 . 1 . . . A 23 A H62 . 18881 1 245 . 1 1 23 23 A C2 C 13 147.626 0.050 . 1 . . . A 23 A C2 . 18881 1 246 . 1 1 23 23 A N1 N 15 220.874 0.050 . 1 . . . A 23 A N1 . 18881 1 247 . 1 1 23 23 A N3 N 15 213.741 0.050 . 1 . . . A 23 A N3 . 18881 1 248 . 1 1 23 23 A N7 N 15 230.631 0.050 . 1 . . . A 23 A N7 . 18881 1 249 . 1 1 24 24 U H1' H 1 5.272 0.005 . 1 . . . A 24 U H1' . 18881 1 250 . 1 1 24 24 U H2' H 1 4.182 0.005 . 1 . . . A 24 U H2' . 18881 1 251 . 1 1 24 24 U H3 H 1 12.890 0.005 . 1 . . . A 24 U H3 . 18881 1 252 . 1 1 24 24 U H3' H 1 4.369 0.005 . 1 . . . A 24 U H3' . 18881 1 253 . 1 1 24 24 U H4' H 1 4.248 0.005 . 1 . . . A 24 U H4' . 18881 1 254 . 1 1 24 24 U H5 H 1 4.895 0.005 . 1 . . . A 24 U H5 . 18881 1 255 . 1 1 24 24 U H6 H 1 7.498 0.005 . 1 . . . A 24 U H6 . 18881 1 256 . 1 1 24 24 U C1' C 13 87.583 0.050 . 1 . . . A 24 U C1' . 18881 1 257 . 1 1 24 24 U C5 C 13 97.367 0.050 . 1 . . . A 24 U C5 . 18881 1 258 . 1 1 24 24 U N3 N 15 161.076 0.050 . 1 . . . A 24 U N3 . 18881 1 259 . 1 1 25 25 A H1' H 1 5.810 0.005 . 1 . . . A 25 A H1' . 18881 1 260 . 1 1 25 25 A H2 H 1 6.947 0.005 . 1 . . . A 25 A H2 . 18881 1 261 . 1 1 25 25 A H2' H 1 4.313 0.005 . 1 . . . A 25 A H2' . 18881 1 262 . 1 1 25 25 A H3' H 1 4.510 0.005 . 1 . . . A 25 A H3' . 18881 1 263 . 1 1 25 25 A H5'' H 1 3.981 0.005 . 1 . . . A 25 A H5'' . 18881 1 264 . 1 1 25 25 A H8 H 1 7.966 0.005 . 1 . . . A 25 A H8 . 18881 1 265 . 1 1 25 25 A H61 H 1 7.541 0.005 . 1 . . . A 25 A H61 . 18881 1 266 . 1 1 25 25 A H62 H 1 6.111 0.005 . 1 . . . A 25 A H62 . 18881 1 267 . 1 1 25 25 A C2 C 13 147.886 0.050 . 1 . . . A 25 A C2 . 18881 1 268 . 1 1 25 25 A C8 C 13 134.173 0.050 . 1 . . . A 25 A C8 . 18881 1 269 . 1 1 25 25 A N1 N 15 222.487 0.050 . 1 . . . A 25 A N1 . 18881 1 270 . 1 1 25 25 A N3 N 15 211.535 0.050 . 1 . . . A 25 A N3 . 18881 1 271 . 1 1 25 25 A N7 N 15 230.917 0.050 . 1 . . . A 25 A N7 . 18881 1 272 . 1 1 26 26 C H1' H 1 5.194 0.005 . 1 . . . A 26 C H1' . 18881 1 273 . 1 1 26 26 C H2' H 1 3.978 0.005 . 1 . . . A 26 C H2' . 18881 1 274 . 1 1 26 26 C H3' H 1 4.181 0.005 . 1 . . . A 26 C H3' . 18881 1 275 . 1 1 26 26 C H4' H 1 4.210 0.005 . 1 . . . A 26 C H4' . 18881 1 276 . 1 1 26 26 C H5 H 1 5.016 0.005 . 1 . . . A 26 C H5 . 18881 1 277 . 1 1 26 26 C H5'' H 1 3.893 0.005 . 1 . . . A 26 C H5'' . 18881 1 278 . 1 1 26 26 C H6 H 1 7.396 0.005 . 1 . . . A 26 C H6 . 18881 1 279 . 1 1 26 26 C H41 H 1 8.021 0.005 . 1 . . . A 26 C H41 . 18881 1 280 . 1 1 26 26 C H42 H 1 6.637 0.005 . 1 . . . A 26 C H42 . 18881 1 281 . 1 1 26 26 C C1' C 13 88.113 0.050 . 1 . . . A 26 C C1' . 18881 1 282 . 1 1 26 26 C C5 C 13 91.753 0.050 . 1 . . . A 26 C C5 . 18881 1 283 . 1 1 27 27 U H1' H 1 5.344 0.005 . 1 . . . A 27 U H1' . 18881 1 284 . 1 1 27 27 U H2' H 1 4.305 0.005 . 1 . . . A 27 U H2' . 18881 1 285 . 1 1 27 27 U H3 H 1 13.760 0.005 . 1 . . . A 27 U H3 . 18881 1 286 . 1 1 27 27 U H3' H 1 4.344 0.005 . 1 . . . A 27 U H3' . 18881 1 287 . 1 1 27 27 U H4' H 1 4.264 0.005 . 1 . . . A 27 U H4' . 18881 1 288 . 1 1 27 27 U H5 H 1 5.124 0.005 . 1 . . . A 27 U H5 . 18881 1 289 . 1 1 27 27 U H5'' H 1 3.889 0.005 . 1 . . . A 27 U H5'' . 18881 1 290 . 1 1 27 27 U H6 H 1 7.734 0.005 . 1 . . . A 27 U H6 . 18881 1 291 . 1 1 27 27 U C1' C 13 88.138 0.050 . 1 . . . A 27 U C1' . 18881 1 292 . 1 1 27 27 U C5 C 13 97.629 0.050 . 1 . . . A 27 U C5 . 18881 1 293 . 1 1 27 27 U C6 C 13 136.287 0.050 . 1 . . . A 27 U C6 . 18881 1 294 . 1 1 27 27 U N3 N 15 162.306 0.050 . 1 . . . A 27 U N3 . 18881 1 295 . 1 1 28 28 C H1' H 1 5.399 0.005 . 1 . . . A 28 C H1' . 18881 1 296 . 1 1 28 28 C H2' H 1 4.031 0.005 . 1 . . . A 28 C H2' . 18881 1 297 . 1 1 28 28 C H3' H 1 4.265 0.005 . 1 . . . A 28 C H3' . 18881 1 298 . 1 1 28 28 C H4' H 1 4.238 0.005 . 1 . . . A 28 C H4' . 18881 1 299 . 1 1 28 28 C H5 H 1 5.447 0.005 . 1 . . . A 28 C H5 . 18881 1 300 . 1 1 28 28 C H5'' H 1 3.894 0.005 . 1 . . . A 28 C H5'' . 18881 1 301 . 1 1 28 28 C H6 H 1 7.733 0.005 . 1 . . . A 28 C H6 . 18881 1 302 . 1 1 28 28 C H41 H 1 8.040 0.005 . 1 . . . A 28 C H41 . 18881 1 303 . 1 1 28 28 C H42 H 1 6.656 0.005 . 1 . . . A 28 C H42 . 18881 1 304 . 1 1 28 28 C C1' C 13 88.554 0.050 . 1 . . . A 28 C C1' . 18881 1 305 . 1 1 28 28 C C5 C 13 91.859 0.050 . 1 . . . A 28 C C5 . 18881 1 306 . 1 1 28 28 C C6 C 13 136.773 0.050 . 1 . . . A 28 C C6 . 18881 1 307 . 1 1 29 29 C H1' H 1 5.522 0.005 . 1 . . . A 29 C H1' . 18881 1 308 . 1 1 29 29 C H2' H 1 3.801 0.005 . 1 . . . A 29 C H2' . 18881 1 309 . 1 1 29 29 C H3' H 1 3.842 0.005 . 1 . . . A 29 C H3' . 18881 1 310 . 1 1 29 29 C H4' H 1 3.978 0.005 . 1 . . . A 29 C H4' . 18881 1 311 . 1 1 29 29 C H5 H 1 5.288 0.005 . 1 . . . A 29 C H5 . 18881 1 312 . 1 1 29 29 C H6 H 1 7.475 0.005 . 1 . . . A 29 C H6 . 18881 1 313 . 1 1 29 29 C H41 H 1 8.060 0.005 . 1 . . . A 29 C H41 . 18881 1 314 . 1 1 29 29 C H42 H 1 6.636 0.005 . 1 . . . A 29 C H42 . 18881 1 315 . 1 1 29 29 C C5 C 13 92.378 0.050 . 1 . . . A 29 C C5 . 18881 1 316 . 2 2 1 1 DC H1' H 1 5.600 0.005 . 1 . . . B 30 DC H1' . 18881 1 317 . 2 2 1 1 DC H2' H 1 2.026 0.005 . 1 . . . B 30 DC H2' . 18881 1 318 . 2 2 1 1 DC H2'' H 1 2.435 0.005 . 1 . . . B 30 DC H2'' . 18881 1 319 . 2 2 1 1 DC H3' H 1 4.571 0.005 . 1 . . . B 30 DC H3' . 18881 1 320 . 2 2 1 1 DC H4' H 1 4.007 0.005 . 1 . . . B 30 DC H4' . 18881 1 321 . 2 2 1 1 DC H5 H 1 4.861 0.005 . 1 . . . B 30 DC H5 . 18881 1 322 . 2 2 1 1 DC H5' H 1 3.722 0.005 . 1 . . . B 30 DC H5' . 18881 1 323 . 2 2 1 1 DC H5'' H 1 3.633 0.005 . 1 . . . B 30 DC H5'' . 18881 1 324 . 2 2 1 1 DC H6 H 1 7.076 0.005 . 1 . . . B 30 DC H6 . 18881 1 325 . 2 2 1 1 DC H41 H 1 7.761 0.005 . 1 . . . B 30 DC H41 . 18881 1 326 . 2 2 1 1 DC H42 H 1 6.334 0.005 . 1 . . . B 30 DC H42 . 18881 1 327 . 2 2 2 2 DA H1' H 1 5.944 0.005 . 1 . . . B 31 DA H1' . 18881 1 328 . 2 2 2 2 DA H2 H 1 6.946 0.005 . 1 . . . B 31 DA H2 . 18881 1 329 . 2 2 2 2 DA H2' H 1 2.516 0.005 . 1 . . . B 31 DA H2' . 18881 1 330 . 2 2 2 2 DA H2'' H 1 2.610 0.005 . 1 . . . B 31 DA H2'' . 18881 1 331 . 2 2 2 2 DA H3' H 1 4.797 0.005 . 1 . . . B 31 DA H3' . 18881 1 332 . 2 2 2 2 DA H4' H 1 4.226 0.005 . 1 . . . B 31 DA H4' . 18881 1 333 . 2 2 2 2 DA H5' H 1 4.049 0.005 . 1 . . . B 31 DA H5' . 18881 1 334 . 2 2 2 2 DA H5'' H 1 3.991 0.005 . 1 . . . B 31 DA H5'' . 18881 1 335 . 2 2 2 2 DA H8 H 1 7.897 0.005 . 1 . . . B 31 DA H8 . 18881 1 336 . 2 2 2 2 DA H61 H 1 7.856 0.005 . 1 . . . B 31 DA H61 . 18881 1 337 . 2 2 2 2 DA H62 H 1 6.581 0.005 . 1 . . . B 31 DA H62 . 18881 1 338 . 2 2 3 3 DG H1 H 1 12.803 0.005 . 1 . . . B 32 DG H1 . 18881 1 339 . 2 2 3 3 DG H1' H 1 5.755 0.005 . 1 . . . B 32 DG H1' . 18881 1 340 . 2 2 3 3 DG H2' H 1 2.276 0.005 . 1 . . . B 32 DG H2' . 18881 1 341 . 2 2 3 3 DG H2'' H 1 2.528 0.005 . 1 . . . B 32 DG H2'' . 18881 1 342 . 2 2 3 3 DG H3' H 1 4.560 0.005 . 1 . . . B 32 DG H3' . 18881 1 343 . 2 2 3 3 DG H4' H 1 4.186 0.005 . 1 . . . B 32 DG H4' . 18881 1 344 . 2 2 3 3 DG H8 H 1 7.174 0.005 . 1 . . . B 32 DG H8 . 18881 1 345 . 2 2 4 4 DT H1' H 1 5.786 0.005 . 1 . . . B 33 DT H1' . 18881 1 346 . 2 2 4 4 DT H2' H 1 2.178 0.005 . 1 . . . B 33 DT H2' . 18881 1 347 . 2 2 4 4 DT H2'' H 1 2.394 0.005 . 1 . . . B 33 DT H2'' . 18881 1 348 . 2 2 4 4 DT H3 H 1 13.168 0.005 . 1 . . . B 33 DT H3 . 18881 1 349 . 2 2 4 4 DT H3' H 1 4.652 0.005 . 1 . . . B 33 DT H3' . 18881 1 350 . 2 2 4 4 DT H4' H 1 4.040 0.005 . 1 . . . B 33 DT H4' . 18881 1 351 . 2 2 4 4 DT H6 H 1 7.081 0.005 . 1 . . . B 33 DT H6 . 18881 1 352 . 2 2 4 4 DT H71 H 1 1.047 0.005 . 1 . . . B 33 DT H7 . 18881 1 353 . 2 2 4 4 DT H72 H 1 1.047 0.005 . 1 . . . B 33 DT H7 . 18881 1 354 . 2 2 4 4 DT H73 H 1 1.047 0.005 . 1 . . . B 33 DT H7 . 18881 1 355 . 2 2 5 5 DG H1 H 1 12.285 0.005 . 1 . . . B 34 DG H1 . 18881 1 356 . 2 2 5 5 DG H1' H 1 5.795 0.005 . 1 . . . B 34 DG H1' . 18881 1 357 . 2 2 5 5 DG H2' H 1 2.303 0.005 . 1 . . . B 34 DG H2' . 18881 1 358 . 2 2 5 5 DG H2'' H 1 2.523 0.005 . 1 . . . B 34 DG H2'' . 18881 1 359 . 2 2 5 5 DG H3' H 1 4.567 0.005 . 1 . . . B 34 DG H3' . 18881 1 360 . 2 2 5 5 DG H4' H 1 4.141 0.005 . 1 . . . B 34 DG H4' . 18881 1 361 . 2 2 5 5 DG H8 H 1 7.298 0.005 . 1 . . . B 34 DG H8 . 18881 1 362 . 2 2 5 5 DG H22 H 1 5.617 0.005 . 1 . . . B 34 DG H22 . 18881 1 363 . 2 2 6 6 DT H1' H 1 5.776 0.005 . 1 . . . B 35 DT H1' . 18881 1 364 . 2 2 6 6 DT H2' H 1 1.957 0.005 . 1 . . . B 35 DT H2' . 18881 1 365 . 2 2 6 6 DT H2'' H 1 2.331 0.005 . 1 . . . B 35 DT H2'' . 18881 1 366 . 2 2 6 6 DT H3 H 1 11.832 0.005 . 1 . . . B 35 DT H3 . 18881 1 367 . 2 2 6 6 DT H3' H 1 4.598 0.005 . 1 . . . B 35 DT H3' . 18881 1 368 . 2 2 6 6 DT H4' H 1 4.030 0.005 . 1 . . . B 35 DT H4' . 18881 1 369 . 2 2 6 6 DT H5' H 1 3.867 0.005 . 1 . . . B 35 DT H5' . 18881 1 370 . 2 2 6 6 DT H5'' H 1 3.812 0.005 . 1 . . . B 35 DT H5'' . 18881 1 371 . 2 2 6 6 DT H6 H 1 7.117 0.005 . 1 . . . B 35 DT H6 . 18881 1 372 . 2 2 6 6 DT H71 H 1 1.384 0.005 . 1 . . . B 35 DT H7 . 18881 1 373 . 2 2 6 6 DT H72 H 1 1.384 0.005 . 1 . . . B 35 DT H7 . 18881 1 374 . 2 2 6 6 DT H73 H 1 1.384 0.005 . 1 . . . B 35 DT H7 . 18881 1 375 . 2 2 7 7 DC H1' H 1 6.047 0.005 . 1 . . . B 36 DC H1' . 18881 1 376 . 2 2 7 7 DC H2' H 1 1.944 0.005 . 1 . . . B 36 DC H2' . 18881 1 377 . 2 2 7 7 DC H2'' H 1 2.029 0.005 . 1 . . . B 36 DC H2'' . 18881 1 378 . 2 2 7 7 DC H3' H 1 4.336 0.005 . 1 . . . B 36 DC H3' . 18881 1 379 . 2 2 7 7 DC H4' H 1 3.812 0.005 . 1 . . . B 36 DC H4' . 18881 1 380 . 2 2 7 7 DC H5 H 1 5.384 0.005 . 1 . . . B 36 DC H5 . 18881 1 381 . 2 2 7 7 DC H5' H 1 3.954 0.005 . 1 . . . B 36 DC H5' . 18881 1 382 . 2 2 7 7 DC H5'' H 1 3.870 0.005 . 1 . . . B 36 DC H5'' . 18881 1 383 . 2 2 7 7 DC H6 H 1 7.345 0.005 . 1 . . . B 36 DC H6 . 18881 1 384 . 2 2 7 7 DC H41 H 1 7.779 0.005 . 1 . . . B 36 DC H41 . 18881 1 385 . 2 2 7 7 DC H42 H 1 6.587 0.005 . 1 . . . B 36 DC H42 . 18881 1 stop_ save_