data_27933 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27933 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for loop A of the hairpin ribozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-31 _Entry.Accession_date 2019-05-31 _Entry.Last_release_date 2019-05-31 _Entry.Original_release_date 2019-05-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Robert Fidis . L. . . 27933 2 Patrick Ochieng . O. . . 27933 3 Neil White . A. . . 27933 4 Charles Hoogstraten . G. . . 27933 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Michigan State University' . 27933 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27933 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 144 27933 '15N chemical shifts' 20 27933 '1H chemical shifts' 155 27933 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 . . 2026-01-13 . original BMRB . 27933 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27933 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Assigned 1H, 13C, and 15N chemical shifts for Loop A of the Hairpin Ribozyme ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Fidis . L. . . 27933 1 2 Patrick Ochieng . O. . . 27933 1 3 Neil White . A. . . 27933 1 4 Charles Hoogstraten . G. . . 27933 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27933 1 'hairpin ribozyme' 27933 1 'resonance assignments' 27933 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27933 _Assembly.ID 1 _Assembly.Name 'Hairpin Ribozyme' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Loop A' 1 $Ribozyme A . yes native no no . . . 27933 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ribozyme _Entity.Sf_category entity _Entity.Sf_framecode Ribozyme _Entity.Entry_ID 27933 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ribozyme _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCGUGCAGUCCUCGAAAGAG AGAAGCAUGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -7,G -6,C -5,G -4,U -3,G -2,C -1,A +1,G +2,U +3,C +4,C +5,U +6,C +7,G 1,A 2,A 3,A 4,G 5,A 6,G 7,A 8,G 9,A 10,A 11,G 12,C 13,A 14,U 15,G 16,C ; _Entity.Polymer_author_seq_details ; The numbering system is designed to align with the conventional notation for the hairpin ribozyme, in which the substrate strand is denoted -N and +N for residues 5' and 3' of the cleavage site, respectively, and the substrate recognition strand is denoted with unsigned integers. ; _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 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -7 G . 27933 1 2 -6 C . 27933 1 3 -5 G . 27933 1 4 -4 U . 27933 1 5 -3 G . 27933 1 6 -2 C . 27933 1 7 -1 A . 27933 1 8 +1 G . 27933 1 9 +2 U . 27933 1 10 +3 C . 27933 1 11 +4 C . 27933 1 12 +5 U . 27933 1 13 +6 C . 27933 1 14 +7 G . 27933 1 15 1 A . 27933 1 16 2 A . 27933 1 17 3 A . 27933 1 18 4 G . 27933 1 19 5 A . 27933 1 20 6 G . 27933 1 21 7 A . 27933 1 22 8 G . 27933 1 23 9 A . 27933 1 24 10 A . 27933 1 25 11 G . 27933 1 26 12 C . 27933 1 27 13 A . 27933 1 28 14 U . 27933 1 29 15 G . 27933 1 30 16 C . 27933 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 27933 1 . C 2 2 27933 1 . G 3 3 27933 1 . U 4 4 27933 1 . G 5 5 27933 1 . C 6 6 27933 1 . A 7 7 27933 1 . G 8 8 27933 1 . U 9 9 27933 1 . C 10 10 27933 1 . C 11 11 27933 1 . U 12 12 27933 1 . C 13 13 27933 1 . G 14 14 27933 1 . A 15 15 27933 1 . A 16 16 27933 1 . A 17 17 27933 1 . G 18 18 27933 1 . A 19 19 27933 1 . G 20 20 27933 1 . A 21 21 27933 1 . G 22 22 27933 1 . A 23 23 27933 1 . A 24 24 27933 1 . G 25 25 27933 1 . C 26 26 27933 1 . A 27 27 27933 1 . U 28 28 27933 1 . G 29 29 27933 1 . C 30 30 27933 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27933 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ribozyme . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 27933 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 27933 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ribozyme . 'In vitro transcription' . . . . . . . . . . . . . . . . 27933 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Loop_A_Adn _Sample.Sf_category sample _Sample.Sf_framecode Loop_A_Adn _Sample.Entry_ID 27933 _Sample.ID 1 _Sample.Name . _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 Ribozyme '[U-13C; U-15N]-Ade' . . 1 $Ribozyme . . 0.47 . . mM . . . . 27933 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27933 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27933 1 4 EDTA 'natural abundance' . . . . . . 20 . . uM . . . . 27933 1 5 'monosodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27933 1 stop_ save_ save_Loop_A_Gua _Sample.Sf_category sample _Sample.Sf_framecode Loop_A_Gua _Sample.Entry_ID 27933 _Sample.ID 2 _Sample.Name . _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 Ribozyme '[U-13C; U-15N]-Gua' . . 1 $Ribozyme . . 0.33 . . mM . . . . 27933 2 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27933 2 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27933 2 4 EDTA 'natural abundance' . . . . . . 20 . . uM . . . . 27933 2 5 'monosodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27933 2 stop_ save_ save_Loop_A_Cyt _Sample.Sf_category sample _Sample.Sf_framecode Loop_A_Cyt _Sample.Entry_ID 27933 _Sample.ID 3 _Sample.Name . _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 Ribozyme '[U-13C; U-15N]-Cyt' . . 1 $Ribozyme . . 0.39 . . mM . . . . 27933 3 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27933 3 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27933 3 4 EDTA 'natural abundance' . . . . . . 20 . . uM . . . . 27933 3 5 'monosodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27933 3 stop_ save_ save_Loop_A_Ura _Sample.Sf_category sample _Sample.Sf_framecode Loop_A_Ura _Sample.Entry_ID 27933 _Sample.ID 4 _Sample.Name . _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 Ribozyme '[U-13C; U-15N]-Ura' . . 1 $Ribozyme . . 0.46 . . mM . . . . 27933 4 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27933 4 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27933 4 4 EDTA 'natural abundance' . . . . . . 20 . . uM . . . . 27933 4 5 'monosodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27933 4 stop_ save_ save_N-labeled_Ribozyme _Sample.Sf_category sample _Sample.Sf_framecode N-labeled_Ribozyme _Sample.Entry_ID 27933 _Sample.ID 5 _Sample.Name . _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 Ribozyme [U-15N] . . 1 $Ribozyme . . 1.0 0.8 1.2 mM . . . . 27933 5 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27933 5 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27933 5 4 EDTA 'natural abundance' . . . . . . 20 . . uM . . . . 27933 5 5 'monosodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27933 5 stop_ save_ save_Unlabeled_Ribozyme _Sample.Sf_category sample _Sample.Sf_framecode Unlabeled_Ribozyme _Sample.Entry_ID 27933 _Sample.ID 6 _Sample.Name . _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 Ribozyme 'natural abundance' . . 1 $Ribozyme . . 1.0 0.8 1.2 mM . . . . 27933 6 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27933 6 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 27933 6 4 EDTA 'natural abundance' . . . . . . 20 . . uM . . . . 27933 6 5 'monosodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27933 6 stop_ save_ ####################### # Sample conditions # ####################### save_Unlabeled_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Unlabeled_sample_conditions _Sample_condition_list.Entry_ID 27933 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 5.5 . pH 27933 1 pressure 1 . atm 27933 1 temperature 288 . K 27933 1 stop_ save_ save_N-labeled_sample_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode N-labeled_sample_cond _Sample_condition_list.Entry_ID 27933 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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 pH 5.5 . pH 27933 2 pressure 1 . atm 27933 2 temperature 288 . K 27933 2 stop_ save_ save_Nucleotide_labeled_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Nucleotide_labeled_cond _Sample_condition_list.Entry_ID 27933 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _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 pH 5.5 . pH 27933 3 pressure 1 . atm 27933 3 temperature 298 . K 27933 3 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27933 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27933 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27933 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27933 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27933 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27933 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27933 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27933 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 27933 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27933 1 2 spectrometer_2 Bruker Avance . 900 . . . 27933 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 27933 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 2 '2D 1H-13C HSQC ribose' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 3 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 4 '2D 1H-13C COSY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 5 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 7 '2D 1H-13C TOCSY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 10 '2D 1H-13C NOESY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 11 '3D 1H-13C HSQC-NOESY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 12 '3D HCN aromatic' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 13 '3D HCN ribose' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 14 '2D 1H-1H E/E NOESY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 15 '2D 1H-1H F/E NOESY' no . . . . . . . . . . . . 1 $Loop_A_Adn isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 16 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 17 '2D 1H-13C HSQC ribose' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 18 '2D 1H-1H COSY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 19 '2D 1H-13C COSY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 20 '3D HCCH-COSY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 21 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 22 '2D 1H-13C TOCSY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 23 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 24 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 25 '2D 1H-13C NOESY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 26 '3D 1H-13C HSQC-NOESY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 27 '3D HCN aromatic' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 28 '3D HCN ribose' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 29 '2D 1H-1H E/E NOESY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 30 '2D 1H-1H F/E NOESY' no . . . . . . . . . . . . 2 $Loop_A_Gua isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 31 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 32 '2D 1H-13C HSQC ribose' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 33 '2D 1H-1H COSY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 34 '2D 1H-13C COSY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 35 '3D HCCH-COSY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 36 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 37 '2D 1H-13C TOCSY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 38 '3D HCCH-TOCSY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 39 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 40 '2D 1H-13C NOESY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 41 '3D 1H-13C HSQC-NOESY' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 42 '3D HCN aromatic' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 43 '3D HCN ribose' no . . . . . . . . . . . . 3 $Loop_A_Cyt isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 44 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 45 '2D 1H-13C HSQC ribose' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 46 '2D 1H-1H COSY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 47 '2D 1H-13C COSY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 48 '3D HCCH-COSY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 49 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 50 '2D 1H-13C TOCSY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 51 '3D HCCH-TOCSY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 52 '2D 1H-1H NOESY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 53 '2D 1H-13C NOESY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 54 '3D 1H-13C HSQC-NOESY' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 55 '3D HCN aromatic' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 56 '3D HCN ribose' no . . . . . . . . . . . . 4 $Loop_A_Ura isotropic . . 3 $Nucleotide_labeled_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 57 '2D 1H-1H NOESY' no . . . . . . . . . . . . 5 $N-labeled_Ribozyme isotropic . . 2 $N-labeled_sample_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 58 '2D 1H-15N HSQC' no . . . . . . . . . . . . 5 $N-labeled_Ribozyme isotropic . . 2 $N-labeled_sample_cond . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 59 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 6 $Unlabeled_Ribozyme isotropic . . 1 $Unlabeled_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 60 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 6 $Unlabeled_Ribozyme isotropic . . 1 $Unlabeled_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 61 '3D HCCH-COSY' no . . . . . . . . . . . . 6 $Unlabeled_Ribozyme isotropic . . 1 $Unlabeled_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 62 '3D HCCH-TOCSY' no . . . . . . . . . . . . 6 $Unlabeled_Ribozyme isotropic . . 1 $Unlabeled_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27933 1 63 '3D 1H-13C NOESY' no . . . . . . . . . . . . 6 $Unlabeled_Ribozyme isotropic . . 1 $Unlabeled_sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27933 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Imino_chemical_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Imino_chemical_reference _Chem_shift_reference.Entry_ID 27933 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27933 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27933 1 stop_ save_ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27933 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27933 2 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27933 2 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27933 2 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27933 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $N-labeled_sample_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Imino_chemical_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aromatic' . . . 27933 1 2 '2D 1H-13C HSQC ribose' . . . 27933 1 5 '3D HCCH-COSY' . . . 27933 1 8 '3D HCCH-TOCSY' . . . 27933 1 11 '3D 1H-13C HSQC-NOESY' . . . 27933 1 14 '2D 1H-1H E/E NOESY' . . . 27933 1 15 '2D 1H-1H F/E NOESY' . . . 27933 1 16 '2D 1H-13C HSQC aromatic' . . . 27933 1 17 '2D 1H-13C HSQC ribose' . . . 27933 1 20 '3D HCCH-COSY' . . . 27933 1 23 '3D HCCH-TOCSY' . . . 27933 1 26 '3D 1H-13C HSQC-NOESY' . . . 27933 1 29 '2D 1H-1H E/E NOESY' . . . 27933 1 30 '2D 1H-1H F/E NOESY' . . . 27933 1 31 '2D 1H-13C HSQC aromatic' . . . 27933 1 32 '2D 1H-13C HSQC ribose' . . . 27933 1 35 '3D HCCH-COSY' . . . 27933 1 38 '3D HCCH-TOCSY' . . . 27933 1 42 '3D HCN aromatic' . . . 27933 1 43 '3D HCN ribose' . . . 27933 1 44 '2D 1H-13C HSQC aromatic' . . . 27933 1 45 '2D 1H-13C HSQC ribose' . . . 27933 1 48 '3D HCCH-COSY' . . . 27933 1 51 '3D HCCH-TOCSY' . . . 27933 1 54 '3D 1H-13C HSQC-NOESY' . . . 27933 1 55 '3D HCN aromatic' . . . 27933 1 56 '3D HCN ribose' . . . 27933 1 57 '2D 1H-1H NOESY' . . . 27933 1 58 '2D 1H-15N HSQC' . . . 27933 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 10.63 0.003 . 1 . . . . . -7 G H1 . 27933 1 2 . 1 . 1 1 1 G H1' H 1 5.527 0.003 . 1 . . . . . -7 G H1' . 27933 1 3 . 1 . 1 1 1 G H2' H 1 4.611 0.003 . 1 . . . . . -7 G H2' . 27933 1 4 . 1 . 1 1 1 G H3' H 1 4.449 0.003 . 1 . . . . . -7 G H3' . 27933 1 5 . 1 . 1 1 1 G H4' H 1 4.490 0.003 . 1 . . . . . -7 G H4' . 27933 1 6 . 1 . 1 1 1 G H8 H 1 7.577 0.003 . 1 . . . . . -7 G H8 . 27933 1 7 . 1 . 1 1 1 G C1' C 13 92.45 0.1 . 1 . . . . . -7 G C1' . 27933 1 8 . 1 . 1 1 1 G C2' C 13 75.29 0.1 . 1 . . . . . -7 G C2' . 27933 1 9 . 1 . 1 1 1 G C3' C 13 72.88 0.1 . 1 . . . . . -7 G C3' . 27933 1 10 . 1 . 1 1 1 G C4' C 13 82.42 0.1 . 1 . . . . . -7 G C4' . 27933 1 11 . 1 . 1 1 1 G C8 C 13 136.50 0.1 . 1 . . . . . -7 G C8 . 27933 1 12 . 1 . 1 1 1 G N1 N 15 144.73 . . 1 . . . . . -7 G N1 . 27933 1 13 . 1 . 1 2 2 C H1' H 1 5.778 0.003 . 1 . . . . . -6 C H1' . 27933 1 14 . 1 . 1 2 2 C H2' H 1 4.721 0.003 . 1 . . . . . -6 C H2' . 27933 1 15 . 1 . 1 2 2 C H3' H 1 4.493 0.003 . 1 . . . . . -6 C H3' . 27933 1 16 . 1 . 1 2 2 C H4' H 1 4.490 0.003 . 1 . . . . . -6 C H4' . 27933 1 17 . 1 . 1 2 2 C H5 H 1 5.383 0.003 . 1 . . . . . -6 C H5 . 27933 1 18 . 1 . 1 2 2 C H6 H 1 7.778 0.003 . 1 . . . . . -6 C H6 . 27933 1 19 . 1 . 1 2 2 C C1' C 13 93.49 0.1 . 1 . . . . . -6 C C1' . 27933 1 20 . 1 . 1 2 2 C C2' C 13 75.76 0.1 . 1 . . . . . -6 C C2' . 27933 1 21 . 1 . 1 2 2 C C3' C 13 73.39 0.1 . 1 . . . . . -6 C C3' . 27933 1 22 . 1 . 1 2 2 C C4' C 13 82.42 0.1 . 1 . . . . . -6 C C4' . 27933 1 23 . 1 . 1 2 2 C C5 C 13 97.77 0.1 . 1 . . . . . -6 C C5 . 27933 1 24 . 1 . 1 2 2 C C6 C 13 141.90 0.1 . 1 . . . . . -6 C C6 . 27933 1 25 . 1 . 1 2 2 C N1 N 15 151.10 . . 1 . . . . . -6 C N1 . 27933 1 26 . 1 . 1 3 3 G H1 H 1 11.17 0.003 . 1 . . . . . -5 G H1 . 27933 1 27 . 1 . 1 3 3 G H1' H 1 5.761 0.003 . 1 . . . . . -5 G H1' . 27933 1 28 . 1 . 1 3 3 G H2' H 1 4.641 0.003 . 1 . . . . . -5 G H2' . 27933 1 29 . 1 . 1 3 3 G H3' H 1 4.231 0.003 . 1 . . . . . -5 G H3' . 27933 1 30 . 1 . 1 3 3 G H4' H 1 4.513 0.003 . 1 . . . . . -5 G H4' . 27933 1 31 . 1 . 1 3 3 G H8 H 1 7.563 0.003 . 1 . . . . . -5 G H8 . 27933 1 32 . 1 . 1 3 3 G C1' C 13 93.70 0.1 . 1 . . . . . -5 G C1' . 27933 1 33 . 1 . 1 3 3 G C2' C 13 75.18 0.1 . 1 . . . . . -5 G C2' . 27933 1 34 . 1 . 1 3 3 G C3' C 13 73.72 0.1 . 1 . . . . . -5 G C3' . 27933 1 35 . 1 . 1 3 3 G C4' C 13 82.54 0.1 . 1 . . . . . -5 G C4' . 27933 1 36 . 1 . 1 3 3 G C8 C 13 137.20 0.1 . 1 . . . . . -5 G C8 . 27933 1 37 . 1 . 1 3 3 G N1 N 15 148.08 . . 1 . . . . . -5 G N1 . 27933 1 38 . 1 . 1 4 4 U H1' H 1 5.460 0.003 . 1 . . . . . -4 U H1' . 27933 1 39 . 1 . 1 4 4 U H2' H 1 4.503 0.003 . 1 . . . . . -4 U H2' . 27933 1 40 . 1 . 1 4 4 U H3 H 1 13.72 0.003 . 1 . . . . . -4 U H3 . 27933 1 41 . 1 . 1 4 4 U H3' H 1 4.553 0.003 . 1 . . . . . -4 U H3' . 27933 1 42 . 1 . 1 4 4 U H4' H 1 4.416 0.003 . 1 . . . . . -4 U H4' . 27933 1 43 . 1 . 1 4 4 U H5 H 1 5.174 0.003 . 1 . . . . . -4 U H5 . 27933 1 44 . 1 . 1 4 4 U H6 H 1 7.638 0.003 . 1 . . . . . -4 U H6 . 27933 1 45 . 1 . 1 4 4 U C1' C 13 93.61 0.1 . 1 . . . . . -4 U C1' . 27933 1 46 . 1 . 1 4 4 U C2' C 13 75.35 0.1 . 1 . . . . . -4 U C2' . 27933 1 47 . 1 . 1 4 4 U C3' C 13 72.15 0.1 . 1 . . . . . -4 U C3' . 27933 1 48 . 1 . 1 4 4 U C4' C 13 82.10 0.1 . 1 . . . . . -4 U C4' . 27933 1 49 . 1 . 1 4 4 U C5 C 13 103.70 0.1 . 1 . . . . . -4 U C5 . 27933 1 50 . 1 . 1 4 4 U C6 C 13 140.50 0.1 . 1 . . . . . -4 U C6 . 27933 1 51 . 1 . 1 4 4 U N1 N 15 145.70 . . 1 . . . . . -4 U N1 . 27933 1 52 . 1 . 1 4 4 U N3 N 15 154.72 . . 1 . . . . . -4 U N3 . 27933 1 53 . 1 . 1 5 5 G H1 H 1 12.40 0.003 . 1 . . . . . -3 G H1 . 27933 1 54 . 1 . 1 5 5 G H1' H 1 5.733 0.003 . 1 . . . . . -3 G H1' . 27933 1 55 . 1 . 1 5 5 G H2' H 1 4.481 0.003 . 1 . . . . . -3 G H2' . 27933 1 56 . 1 . 1 5 5 G H8 H 1 7.634 0.003 . 1 . . . . . -3 G H8 . 27933 1 57 . 1 . 1 5 5 G C1' C 13 92.85 0.1 . 1 . . . . . -3 G C1' . 27933 1 58 . 1 . 1 5 5 G C2' C 13 75.07 0.1 . 1 . . . . . -3 G C2' . 27933 1 59 . 1 . 1 5 5 G C8 C 13 136.00 0.1 . 1 . . . . . -3 G C8 . 27933 1 60 . 1 . 1 5 5 G N1 N 15 145.06 . . 1 . . . . . -3 G N1 . 27933 1 61 . 1 . 1 6 6 C H1' H 1 5.389 0.003 . 1 . . . . . -2 C H1' . 27933 1 62 . 1 . 1 6 6 C H2' H 1 4.295 0.003 . 1 . . . . . -2 C H2' . 27933 1 63 . 1 . 1 6 6 C H3' H 1 4.394 0.003 . 1 . . . . . -2 C H3' . 27933 1 64 . 1 . 1 6 6 C H4' H 1 4.354 0.003 . 1 . . . . . -2 C H4' . 27933 1 65 . 1 . 1 6 6 C H5 H 1 5.083 0.003 . 1 . . . . . -2 C H5 . 27933 1 66 . 1 . 1 6 6 C H6 H 1 7.405 0.003 . 1 . . . . . -2 C H6 . 27933 1 67 . 1 . 1 6 6 C C1' C 13 93.84 0.1 . 1 . . . . . -2 C C1' . 27933 1 68 . 1 . 1 6 6 C C2' C 13 75.44 0.1 . 1 . . . . . -2 C C2' . 27933 1 69 . 1 . 1 6 6 C C3' C 13 72.64 0.1 . 1 . . . . . -2 C C3' . 27933 1 70 . 1 . 1 6 6 C C4' C 13 82.23 0.1 . 1 . . . . . -2 C C4' . 27933 1 71 . 1 . 1 6 6 C C5 C 13 97.31 0.1 . 1 . . . . . -2 C C5 . 27933 1 72 . 1 . 1 6 6 C C6 C 13 140.60 0.1 . 1 . . . . . -2 C C6 . 27933 1 73 . 1 . 1 6 6 C N1 N 15 150.30 . . 1 . . . . . -2 C N1 . 27933 1 74 . 1 . 1 7 7 A H1' H 1 5.88 0.003 . 1 . . . . . -1 A H1' . 27933 1 75 . 1 . 1 7 7 A H2' H 1 4.67 0.003 . 1 . . . . . -1 A H2' . 27933 1 76 . 1 . 1 7 7 A H8 H 1 8.035 0.003 . 1 . . . . . -1 A H8 . 27933 1 77 . 1 . 1 7 7 A C1' C 13 92.98 0.1 . 1 . . . . . -1 A C1' . 27933 1 78 . 1 . 1 7 7 A C2' C 13 73.81 0.1 . 1 . . . . . -1 A C2' . 27933 1 79 . 1 . 1 7 7 A C8 C 13 139.0 0.1 . 1 . . . . . -1 A C8 . 27933 1 80 . 1 . 1 8 8 G H1' H 1 5.405 0.003 . 1 . . . . . +1 G H1' . 27933 1 81 . 1 . 1 8 8 G H2' H 1 4.485 0.003 . 1 . . . . . +1 G H2' . 27933 1 82 . 1 . 1 8 8 G H8 H 1 7.643 0.003 . 1 . . . . . +1 G H8 . 27933 1 83 . 1 . 1 8 8 G C1' C 13 92.85 0.1 . 1 . . . . . +1 G C1' . 27933 1 84 . 1 . 1 8 8 G C2' C 13 75.30 0.1 . 1 . . . . . +1 G C2' . 27933 1 85 . 1 . 1 8 8 G C8 C 13 138.40 0.1 . 1 . . . . . +1 G C8 . 27933 1 86 . 1 . 1 9 9 U H1' H 1 5.531 0.003 . 1 . . . . . +2 U H1' . 27933 1 87 . 1 . 1 9 9 U H2' H 1 4.604 0.003 . 1 . . . . . +2 U H2' . 27933 1 88 . 1 . 1 9 9 U H3 H 1 10.92 0.003 . 1 . . . . . +2 U H3 . 27933 1 89 . 1 . 1 9 9 U H4' H 1 4.337 0.003 . 1 . . . . . +2 U H4' . 27933 1 90 . 1 . 1 9 9 U H5 H 1 5.543 0.003 . 1 . . . . . +2 U H5 . 27933 1 91 . 1 . 1 9 9 U H6 H 1 7.766 0.003 . 1 . . . . . +2 U H6 . 27933 1 92 . 1 . 1 9 9 U C1' C 13 93.66 0.1 . 1 . . . . . +2 U C1' . 27933 1 93 . 1 . 1 9 9 U C2' C 13 75.25 0.1 . 1 . . . . . +2 U C2' . 27933 1 94 . 1 . 1 9 9 U C4' C 13 83.87 0.1 . 1 . . . . . +2 U C4' . 27933 1 95 . 1 . 1 9 9 U C5 C 13 104.50 0.1 . 1 . . . . . +2 U C5 . 27933 1 96 . 1 . 1 9 9 U C6 C 13 141.00 0.1 . 1 . . . . . +2 U C6 . 27933 1 97 . 1 . 1 9 9 U N3 N 15 159.20 . . 1 . . . . . +2 U N3 . 27933 1 98 . 1 . 1 10 10 C H1' H 1 5.718 0.003 . 1 . . . . . +3 C H1' . 27933 1 99 . 1 . 1 10 10 C H2' H 1 4.294 0.003 . 1 . . . . . +3 C H2' . 27933 1 100 . 1 . 1 10 10 C H3' H 1 4.573 0.003 . 1 . . . . . +3 C H3' . 27933 1 101 . 1 . 1 10 10 C H4' H 1 4.426 0.003 . 1 . . . . . +3 C H4' . 27933 1 102 . 1 . 1 10 10 C H5 H 1 5.903 0.003 . 1 . . . . . +3 C H5 . 27933 1 103 . 1 . 1 10 10 C H6 H 1 7.961 0.003 . 1 . . . . . +3 C H6 . 27933 1 104 . 1 . 1 10 10 C C1' C 13 93.38 0.1 . 1 . . . . . +3 C C1' . 27933 1 105 . 1 . 1 10 10 C C2' C 13 75.87 0.1 . 1 . . . . . +3 C C2' . 27933 1 106 . 1 . 1 10 10 C C3' C 13 73.41 0.1 . 1 . . . . . +3 C C3' . 27933 1 107 . 1 . 1 10 10 C C4' C 13 82.65 0.1 . 1 . . . . . +3 C C4' . 27933 1 108 . 1 . 1 10 10 C C5 C 13 98.46 0.1 . 1 . . . . . +3 C C5 . 27933 1 109 . 1 . 1 10 10 C C6 C 13 142.50 0.1 . 1 . . . . . +3 C C6 . 27933 1 110 . 1 . 1 10 10 C N1 N 15 152.40 . . 1 . . . . . +3 C N1 . 27933 1 111 . 1 . 1 11 11 C H1' H 1 5.486 0.003 . 1 . . . . . +4 C H1' . 27933 1 112 . 1 . 1 11 11 C H2' H 1 4.306 0.003 . 1 . . . . . +4 C H2' . 27933 1 113 . 1 . 1 11 11 C H3' H 1 4.449 0.003 . 1 . . . . . +4 C H3' . 27933 1 114 . 1 . 1 11 11 C H4' H 1 4.446 0.003 . 1 . . . . . +4 C H4' . 27933 1 115 . 1 . 1 11 11 C H5 H 1 5.737 0.003 . 1 . . . . . +4 C H5 . 27933 1 116 . 1 . 1 11 11 C H6 H 1 7.827 0.003 . 1 . . . . . +4 C H6 . 27933 1 117 . 1 . 1 11 11 C C1' C 13 94.12 0.1 . 1 . . . . . +4 C C1' . 27933 1 118 . 1 . 1 11 11 C C2' C 13 75.29 0.1 . 1 . . . . . +4 C C2' . 27933 1 119 . 1 . 1 11 11 C C3' C 13 72.88 0.1 . 1 . . . . . +4 C C3' . 27933 1 120 . 1 . 1 11 11 C C4' C 13 82.28 0.1 . 1 . . . . . +4 C C4' . 27933 1 121 . 1 . 1 11 11 C C5 C 13 98.27 0.1 . 1 . . . . . +4 C C5 . 27933 1 122 . 1 . 1 11 11 C C6 C 13 142.00 0.1 . 1 . . . . . +4 C C6 . 27933 1 123 . 1 . 1 12 12 U H1' H 1 5.444 0.003 . 1 . . . . . +5 U H1' . 27933 1 124 . 1 . 1 12 12 U H2' H 1 4.373 0.003 . 1 . . . . . +5 U H2' . 27933 1 125 . 1 . 1 12 12 U H3 H 1 13.97 0.003 . 1 . . . . . +5 U H3 . 27933 1 126 . 1 . 1 12 12 U H3' H 1 4.543 0.003 . 1 . . . . . +5 U H3' . 27933 1 127 . 1 . 1 12 12 U H5 H 1 5.418 0.003 . 1 . . . . . +5 U H5 . 27933 1 128 . 1 . 1 12 12 U H6 H 1 7.927 0.003 . 1 . . . . . +5 U H6 . 27933 1 129 . 1 . 1 12 12 U C1' C 13 93.70 0.1 . 1 . . . . . +5 U C1' . 27933 1 130 . 1 . 1 12 12 U C2' C 13 75.27 0.1 . 1 . . . . . +5 U C2' . 27933 1 131 . 1 . 1 12 12 U C3' C 13 72.09 0.1 . 1 . . . . . +5 U C3' . 27933 1 132 . 1 . 1 12 12 U C4' C 13 82.11 0.1 . 1 . . . . . +5 U C4' . 27933 1 133 . 1 . 1 12 12 U C5 C 13 103.20 0.1 . 1 . . . . . +5 U C5 . 27933 1 134 . 1 . 1 12 12 U C6 C 13 142.40 0.1 . 1 . . . . . +5 U C6 . 27933 1 135 . 1 . 1 12 12 U N1 N 15 146.70 . . 1 . . . . . +5 U N1 . 27933 1 136 . 1 . 1 12 12 U N3 N 15 154.65 . . 1 . . . . . +5 U N3 . 27933 1 137 . 1 . 1 13 13 C H1' H 1 5.54 0.003 . 1 . . . . . +6 C H1' . 27933 1 138 . 1 . 1 13 13 C H2' H 1 4.38 0.003 . 1 . . . . . +6 C H2' . 27933 1 139 . 1 . 1 13 13 C H3' H 1 4.415 0.003 . 1 . . . . . +6 C H3' . 27933 1 140 . 1 . 1 13 13 C H4' H 1 4.392 0.003 . 1 . . . . . +6 C H4' . 27933 1 141 . 1 . 1 13 13 C H5 H 1 5.50 0.003 . 1 . . . . . +6 C H5 . 27933 1 142 . 1 . 1 13 13 C H6 H 1 7.627 0.003 . 1 . . . . . +6 C H6 . 27933 1 143 . 1 . 1 13 13 C C1' C 13 93.87 0.1 . 1 . . . . . +6 C C1' . 27933 1 144 . 1 . 1 13 13 C C2' C 13 75.75 0.1 . 1 . . . . . +6 C C2' . 27933 1 145 . 1 . 1 13 13 C C3' C 13 72.09 0.1 . 1 . . . . . +6 C C3' . 27933 1 146 . 1 . 1 13 13 C C4' C 13 81.83 0.1 . 1 . . . . . +6 C C4' . 27933 1 147 . 1 . 1 13 13 C C5 C 13 97.71 0.1 . 1 . . . . . +6 C C5 . 27933 1 148 . 1 . 1 13 13 C C6 C 13 140.70 0.1 . 1 . . . . . +6 C C6 . 27933 1 149 . 1 . 1 13 13 C N1 N 15 150.90 . . 1 . . . . . +6 C N1 . 27933 1 150 . 1 . 1 14 14 G H1 H 1 10.63 0.003 . 1 . . . . . +7 G H1 . 27933 1 151 . 1 . 1 14 14 G H1' H 1 5.527 0.003 . 1 . . . . . +7 G H1' . 27933 1 152 . 1 . 1 14 14 G H2' H 1 4.611 0.003 . 1 . . . . . +7 G H2' . 27933 1 153 . 1 . 1 14 14 G H3' H 1 4.449 0.003 . 1 . . . . . +7 G H3' . 27933 1 154 . 1 . 1 14 14 G H4' H 1 4.490 0.003 . 1 . . . . . +7 G H4' . 27933 1 155 . 1 . 1 14 14 G H8 H 1 7.577 0.003 . 1 . . . . . +7 G H8 . 27933 1 156 . 1 . 1 14 14 G C1' C 13 92.45 0.1 . 1 . . . . . +7 G C1' . 27933 1 157 . 1 . 1 14 14 G C2' C 13 75.29 0.1 . 1 . . . . . +7 G C2' . 27933 1 158 . 1 . 1 14 14 G C3' C 13 72.88 0.1 . 1 . . . . . +7 G C3' . 27933 1 159 . 1 . 1 14 14 G C4' C 13 82.42 0.1 . 1 . . . . . +7 G C4' . 27933 1 160 . 1 . 1 14 14 G C8 C 13 136.50 0.1 . 1 . . . . . +7 G C8 . 27933 1 161 . 1 . 1 15 15 A H1' H 1 5.711 0.003 . 1 . . . . . 1 A H1' . 27933 1 162 . 1 . 1 15 15 A H2' H 1 4.745 0.003 . 1 . . . . . 1 A H2' . 27933 1 163 . 1 . 1 15 15 A H3' H 1 4.468 0.003 . 1 . . . . . 1 A H3' . 27933 1 164 . 1 . 1 15 15 A H4' H 1 4.211 0.003 . 1 . . . . . 1 A H4' . 27933 1 165 . 1 . 1 15 15 A H8 H 1 8.37 0.003 . 1 . . . . . 1 A H8 . 27933 1 166 . 1 . 1 15 15 A C1' C 13 92.09 0.1 . 1 . . . . . 1 A C1' . 27933 1 167 . 1 . 1 15 15 A C2' C 13 76.96 0.1 . 1 . . . . . 1 A C2' . 27933 1 168 . 1 . 1 15 15 A C3' C 13 74.77 0.1 . 1 . . . . . 1 A C3' . 27933 1 169 . 1 . 1 15 15 A C4' C 13 84.80 0.1 . 1 . . . . . 1 A C4' . 27933 1 170 . 1 . 1 15 15 A C8 C 13 141.30 0.1 . 1 . . . . . 1 A C8 . 27933 1 171 . 1 . 1 16 16 A H1' H 1 5.423 0.003 . 1 . . . . . 2 A H1' . 27933 1 172 . 1 . 1 16 16 A H2 H 1 7.80 0.003 . 1 . . . . . 2 A H2 . 27933 1 173 . 1 . 1 16 16 A H2' H 1 4.31 0.003 . 1 . . . . . 2 A H2' . 27933 1 174 . 1 . 1 16 16 A H8 H 1 7.899 0.003 . 1 . . . . . 2 A H8 . 27933 1 175 . 1 . 1 16 16 A C1' C 13 92.84 0.1 . 1 . . . . . 2 A C1' . 27933 1 176 . 1 . 1 16 16 A C2 C 13 153.30 0.1 . 1 . . . . . 2 A C2 . 27933 1 177 . 1 . 1 16 16 A C2' C 13 77.72 0.1 . 1 . . . . . 2 A C2' . 27933 1 178 . 1 . 1 16 16 A C8 C 13 139.50 0.1 . 1 . . . . . 2 A C8 . 27933 1 179 . 1 . 1 17 17 A H1' H 1 6.014 0.003 . 1 . . . . . 3 A H1' . 27933 1 180 . 1 . 1 17 17 A H2 H 1 7.835 0.003 . 1 . . . . . 3 A H2 . 27933 1 181 . 1 . 1 17 17 A H2' H 1 4.630 0.003 . 1 . . . . . 3 A H2' . 27933 1 182 . 1 . 1 17 17 A H4' H 1 4.462 0.003 . 1 . . . . . 3 A H4' . 27933 1 183 . 1 . 1 17 17 A H8 H 1 8.171 0.003 . 1 . . . . . 3 A H8 . 27933 1 184 . 1 . 1 17 17 A C1' C 13 93.24 0.1 . 1 . . . . . 3 A C1' . 27933 1 185 . 1 . 1 17 17 A C2 C 13 153.302 0.1 . 1 . . . . . 3 A C2 . 27933 1 186 . 1 . 1 17 17 A C2' C 13 77.79 0.1 . 1 . . . . . 3 A C2' . 27933 1 187 . 1 . 1 17 17 A C4' C 13 83.91 0.1 . 1 . . . . . 3 A C4' . 27933 1 188 . 1 . 1 17 17 A C8 C 13 140.404 0.1 . 1 . . . . . 3 A C8 . 27933 1 189 . 1 . 1 18 18 G H1 H 1 12.05 0.003 . 1 . . . . . 4 G H1 . 27933 1 190 . 1 . 1 18 18 G H1' H 1 3.713 0.003 . 1 . . . . . 4 G H1' . 27933 1 191 . 1 . 1 18 18 G H2' H 1 4.349 0.003 . 1 . . . . . 4 G H2' . 27933 1 192 . 1 . 1 18 18 G H3' H 1 4.183 0.003 . 1 . . . . . 4 G H3' . 27933 1 193 . 1 . 1 18 18 G H4' H 1 4.259 0.003 . 1 . . . . . 4 G H4' . 27933 1 194 . 1 . 1 18 18 G H8 H 1 7.738 0.003 . 1 . . . . . 4 G H8 . 27933 1 195 . 1 . 1 18 18 G C1' C 13 92.64 0.1 . 1 . . . . . 4 G C1' . 27933 1 196 . 1 . 1 18 18 G C2' C 13 74.79 0.1 . 1 . . . . . 4 G C2' . 27933 1 197 . 1 . 1 18 18 G C3' C 13 74.23 0.1 . 1 . . . . . 4 G C3' . 27933 1 198 . 1 . 1 18 18 G C4' C 13 82.77 0.1 . 1 . . . . . 4 G C4' . 27933 1 199 . 1 . 1 18 18 G C8 C 13 137.30 0.1 . 1 . . . . . 4 G C8 . 27933 1 200 . 1 . 1 18 18 G N1 N 15 145.78 . . 1 . . . . . 4 G N1 . 27933 1 201 . 1 . 1 19 19 A H1' H 1 5.897 0.003 . 1 . . . . . 5 A H1' . 27933 1 202 . 1 . 1 19 19 A H2 H 1 7.341 0.003 . 1 . . . . . 5 A H2 . 27933 1 203 . 1 . 1 19 19 A H2' H 1 4.575 0.003 . 1 . . . . . 5 A H2' . 27933 1 204 . 1 . 1 19 19 A H3' H 1 4.577 0.003 . 1 . . . . . 5 A H3' . 27933 1 205 . 1 . 1 19 19 A H4' H 1 4.420 0.003 . 1 . . . . . 5 A H4' . 27933 1 206 . 1 . 1 19 19 A H8 H 1 7.608 0.003 . 1 . . . . . 5 A H8 . 27933 1 207 . 1 . 1 19 19 A C1' C 13 93.97 0.1 . 1 . . . . . 5 A C1' . 27933 1 208 . 1 . 1 19 19 A C2 C 13 152.10 0.1 . 1 . . . . . 5 A C2 . 27933 1 209 . 1 . 1 19 19 A C2' C 13 76.88 0.1 . 1 . . . . . 5 A C2' . 27933 1 210 . 1 . 1 19 19 A C3' C 13 75.53 0.1 . 1 . . . . . 5 A C3' . 27933 1 211 . 1 . 1 19 19 A C4' C 13 84.89 0.1 . 1 . . . . . 5 A C4' . 27933 1 212 . 1 . 1 19 19 A C8 C 13 138.20 0.1 . 1 . . . . . 5 A C8 . 27933 1 213 . 1 . 1 20 20 G H1 H 1 12.96 0.003 . 1 . . . . . 6 G H1 . 27933 1 214 . 1 . 1 20 20 G H1' H 1 5.537 0.003 . 1 . . . . . 6 G H1' . 27933 1 215 . 1 . 1 20 20 G H2' H 1 4.410 0.003 . 1 . . . . . 6 G H2' . 27933 1 216 . 1 . 1 20 20 G H8 H 1 7.046 0.003 . 1 . . . . . 6 G H8 . 27933 1 217 . 1 . 1 20 20 G C1' C 13 92.11 0.1 . 1 . . . . . 6 G C1' . 27933 1 218 . 1 . 1 20 20 G C2' C 13 76.05 0.1 . 1 . . . . . 6 G C2' . 27933 1 219 . 1 . 1 20 20 G C8 C 13 136.10 0.1 . 1 . . . . . 6 G C8 . 27933 1 220 . 1 . 1 20 20 G N1 N 15 144.73 . . 1 . . . . . 6 G N1 . 27933 1 221 . 1 . 1 21 21 A H1' H 1 5.841 0.003 . 1 . . . . . 7 A H1' . 27933 1 222 . 1 . 1 21 21 A H2' H 1 4.437 0.003 . 1 . . . . . 7 A H2' . 27933 1 223 . 1 . 1 21 21 A H8 H 1 7.805 0.003 . 1 . . . . . 7 A H8 . 27933 1 224 . 1 . 1 21 21 A C1' C 13 94.21 0.1 . 1 . . . . . 7 A C1' . 27933 1 225 . 1 . 1 21 21 A C2' C 13 76.90 0.1 . 1 . . . . . 7 A C2' . 27933 1 226 . 1 . 1 21 21 A C8 C 13 139.80 0.1 . 1 . . . . . 7 A C8 . 27933 1 227 . 1 . 1 22 22 G H1' H 1 5.318 0.003 . 1 . . . . . 8 G H1' . 27933 1 228 . 1 . 1 22 22 G H2' H 1 4.358 0.003 . 1 . . . . . 8 G H2' . 27933 1 229 . 1 . 1 22 22 G H8 H 1 7.239 0.003 . 1 . . . . . 8 G H8 . 27933 1 230 . 1 . 1 22 22 G C1' C 13 91.44 0.1 . 1 . . . . . 8 G C1' . 27933 1 231 . 1 . 1 22 22 G C2' C 13 75.93 0.1 . 1 . . . . . 8 G C2' . 27933 1 232 . 1 . 1 22 22 G C8 C 13 137.30 0.1 . 1 . . . . . 8 G C8 . 27933 1 233 . 1 . 1 23 23 A H1' H 1 5.841 0.003 . 1 . . . . . 9 A H1' . 27933 1 234 . 1 . 1 23 23 A H2' H 1 4.548 0.003 . 1 . . . . . 9 A H2' . 27933 1 235 . 1 . 1 23 23 A H3' H 1 4.441 0.003 . 1 . . . . . 9 A H3' . 27933 1 236 . 1 . 1 23 23 A H4' H 1 4.558 0.003 . 1 . . . . . 9 A H4' . 27933 1 237 . 1 . 1 23 23 A H8 H 1 7.791 0.003 . 1 . . . . . 9 A H8 . 27933 1 238 . 1 . 1 23 23 A C1' C 13 92.79 0.1 . 1 . . . . . 9 A C1' . 27933 1 239 . 1 . 1 23 23 A C2' C 13 74.75 0.1 . 1 . . . . . 9 A C2' . 27933 1 240 . 1 . 1 23 23 A C3' C 13 76.90 0.1 . 1 . . . . . 9 A C3' . 27933 1 241 . 1 . 1 23 23 A C4' C 13 84.08 0.1 . 1 . . . . . 9 A C4' . 27933 1 242 . 1 . 1 23 23 A C8 C 13 138.80 0.1 . 1 . . . . . 9 A C8 . 27933 1 243 . 1 . 1 24 24 A H1' H 1 5.909 0.003 . 1 . . . . . 10 A H1' . 27933 1 244 . 1 . 1 24 24 A H8 H 1 7.965 0.003 . 1 . . . . . 10 A H8 . 27933 1 245 . 1 . 1 24 24 A C1' C 13 93.37 0.1 . 1 . . . . . 10 A C1' . 27933 1 246 . 1 . 1 24 24 A C8 C 13 139.50 0.1 . 1 . . . . . 10 A C8 . 27933 1 247 . 1 . 1 25 25 G H1 H 1 13.29 0.003 . 1 . . . . . 11 G H1 . 27933 1 248 . 1 . 1 25 25 G H1' H 1 5.357 0.003 . 1 . . . . . 11 G H1' . 27933 1 249 . 1 . 1 25 25 G H2' H 1 4.477 0.003 . 1 . . . . . 11 G H2' . 27933 1 250 . 1 . 1 25 25 G H8 H 1 7.394 0.003 . 1 . . . . . 11 G H8 . 27933 1 251 . 1 . 1 25 25 G C1' C 13 92.63 0.1 . 1 . . . . . 11 G C1' . 27933 1 252 . 1 . 1 25 25 G C2' C 13 74.86 0.1 . 1 . . . . . 11 G C2' . 27933 1 253 . 1 . 1 25 25 G C8 C 13 136.60 0.1 . 1 . . . . . 11 G C8 . 27933 1 254 . 1 . 1 25 25 G N1 N 15 143.48 . . 1 . . . . . 11 G N1 . 27933 1 255 . 1 . 1 26 26 C H1' H 1 5.446 0.003 . 1 . . . . . 12 C H1' . 27933 1 256 . 1 . 1 26 26 C H2' H 1 4.569 0.003 . 1 . . . . . 12 C H2' . 27933 1 257 . 1 . 1 26 26 C H3' H 1 4.499 0.003 . 1 . . . . . 12 C H3' . 27933 1 258 . 1 . 1 26 26 C H4' H 1 4.364 0.003 . 1 . . . . . 12 C H4' . 27933 1 259 . 1 . 1 26 26 C H5 H 1 5.180 0.003 . 1 . . . . . 12 C H5 . 27933 1 260 . 1 . 1 26 26 C H6 H 1 7.670 0.003 . 1 . . . . . 12 C H6 . 27933 1 261 . 1 . 1 26 26 C C1' C 13 93.71 0.1 . 1 . . . . . 12 C C1' . 27933 1 262 . 1 . 1 26 26 C C2' C 13 75.27 0.1 . 1 . . . . . 12 C C2' . 27933 1 263 . 1 . 1 26 26 C C3' C 13 72.21 0.1 . 1 . . . . . 12 C C3' . 27933 1 264 . 1 . 1 26 26 C C4' C 13 83.41 0.1 . 1 . . . . . 12 C C4' . 27933 1 265 . 1 . 1 26 26 C C5 C 13 97.30 0.1 . 1 . . . . . 12 C C5 . 27933 1 266 . 1 . 1 26 26 C C6 C 13 140.90 0.1 . 1 . . . . . 12 C C6 . 27933 1 267 . 1 . 1 26 26 C N1 N 15 150.80 . . 1 . . . . . 12 C N1 . 27933 1 268 . 1 . 1 27 27 A H1' H 1 5.917 0.003 . 1 . . . . . 13 A H1' . 27933 1 269 . 1 . 1 27 27 A H2 H 1 7.325 0.003 . 1 . . . . . 13 A H2 . 27933 1 270 . 1 . 1 27 27 A H2' H 1 4.701 0.003 . 1 . . . . . 13 A H2' . 27933 1 271 . 1 . 1 27 27 A H3' H 1 4.478 0.003 . 1 . . . . . 13 A H3' . 27933 1 272 . 1 . 1 27 27 A H4' H 1 4.485 0.003 . 1 . . . . . 13 A H4' . 27933 1 273 . 1 . 1 27 27 A H8 H 1 7.871 0.003 . 1 . . . . . 13 A H8 . 27933 1 274 . 1 . 1 27 27 A C1' C 13 94.33 0.1 . 1 . . . . . 13 A C1' . 27933 1 275 . 1 . 1 27 27 A C2 C 13 152.20 0.1 . 1 . . . . . 13 A C2 . 27933 1 276 . 1 . 1 27 27 A C2' C 13 76.80 0.1 . 1 . . . . . 13 A C2' . 27933 1 277 . 1 . 1 27 27 A C3' C 13 73.79 0.1 . 1 . . . . . 13 A C3' . 27933 1 278 . 1 . 1 27 27 A C4' C 13 83.03 0.1 . 1 . . . . . 13 A C4' . 27933 1 279 . 1 . 1 27 27 A C8 C 13 138.20 0.1 . 1 . . . . . 13 A C8 . 27933 1 280 . 1 . 1 28 28 U H1' H 1 5.30 0.003 . 1 . . . . . 14 U H1' . 27933 1 281 . 1 . 1 28 28 U H2' H 1 4.188 0.003 . 1 . . . . . 14 U H2' . 27933 1 282 . 1 . 1 28 28 U H3 H 1 11.51 0.003 . 1 . . . . . 14 U H3 . 27933 1 283 . 1 . 1 28 28 U H3' H 1 4.502 0.003 . 1 . . . . . 14 U H3' . 27933 1 284 . 1 . 1 28 28 U H4' H 1 4.406 0.003 . 1 . . . . . 14 U H4' . 27933 1 285 . 1 . 1 28 28 U H5 H 1 5.356 0.003 . 1 . . . . . 14 U H5 . 27933 1 286 . 1 . 1 28 28 U H6 H 1 7.464 0.003 . 1 . . . . . 14 U H6 . 27933 1 287 . 1 . 1 28 28 U C1' C 13 92.89 0.1 . 1 . . . . . 14 U C1' . 27933 1 288 . 1 . 1 28 28 U C2' C 13 75.74 0.1 . 1 . . . . . 14 U C2' . 27933 1 289 . 1 . 1 28 28 U C3' C 13 73.21 0.1 . 1 . . . . . 14 U C3' . 27933 1 290 . 1 . 1 28 28 U C4' C 13 82.64 0.1 . 1 . . . . . 14 U C4' . 27933 1 291 . 1 . 1 28 28 U C5 C 13 104.40 0.1 . 1 . . . . . 14 U C5 . 27933 1 292 . 1 . 1 28 28 U C6 C 13 140.10 0.1 . 1 . . . . . 14 U C6 . 27933 1 293 . 1 . 1 28 28 U N1 N 15 144.50 . . 1 . . . . . 14 U N1 . 27933 1 294 . 1 . 1 28 28 U N3 N 15 159.20 . . 1 . . . . . 14 U N3 . 27933 1 295 . 1 . 1 29 29 G H1 H 1 12.96 0.003 . 1 . . . . . 15 G H1 . 27933 1 296 . 1 . 1 29 29 G H1' H 1 5.727 0.003 . 1 . . . . . 15 G H1' . 27933 1 297 . 1 . 1 29 29 G H2' H 1 4.392 0.003 . 1 . . . . . 15 G H2' . 27933 1 298 . 1 . 1 29 29 G H3' H 1 4.637 0.003 . 1 . . . . . 15 G H3' . 27933 1 299 . 1 . 1 29 29 G H4' H 1 4.392 0.003 . 1 . . . . . 15 G H4' . 27933 1 300 . 1 . 1 29 29 G H8 H 1 7.974 0.003 . 1 . . . . . 15 G H8 . 27933 1 301 . 1 . 1 29 29 G C1' C 13 92.65 0.1 . 1 . . . . . 15 G C1' . 27933 1 302 . 1 . 1 29 29 G C2' C 13 75.43 0.1 . 1 . . . . . 15 G C2' . 27933 1 303 . 1 . 1 29 29 G C3' C 13 72.49 0.1 . 1 . . . . . 15 G C3' . 27933 1 304 . 1 . 1 29 29 G C4' C 13 82.36 0.1 . 1 . . . . . 15 G C4' . 27933 1 305 . 1 . 1 29 29 G C8 C 13 137.60 0.1 . 1 . . . . . 15 G C8 . 27933 1 306 . 1 . 1 29 29 G N1 N 15 144.80 . . 1 . . . . . 15 G N1 . 27933 1 307 . 1 . 1 30 30 C H1' H 1 5.775 0.1 . 1 . . . . . 16 C H1' . 27933 1 308 . 1 . 1 30 30 C H2' H 1 3.971 0.1 . 1 . . . . . 16 C H2' . 27933 1 309 . 1 . 1 30 30 C H3' H 1 4.156 0.1 . 1 . . . . . 16 C H3' . 27933 1 310 . 1 . 1 30 30 C H4' H 1 4.157 0.1 . 1 . . . . . 16 C H4' . 27933 1 311 . 1 . 1 30 30 C H5 H 1 5.355 0.1 . 1 . . . . . 16 C H5 . 27933 1 312 . 1 . 1 30 30 C H6 H 1 7.526 0.1 . 1 . . . . . 16 C H6 . 27933 1 313 . 1 . 1 30 30 C C1' C 13 92.73 0.1 . 1 . . . . . 16 C C1' . 27933 1 314 . 1 . 1 30 30 C C2' C 13 77.50 0.1 . 1 . . . . . 16 C C2' . 27933 1 315 . 1 . 1 30 30 C C3' C 13 69.77 0.1 . 1 . . . . . 16 C C3' . 27933 1 316 . 1 . 1 30 30 C C4' C 13 83.44 0.1 . 1 . . . . . 16 C C4' . 27933 1 317 . 1 . 1 30 30 C C5 C 13 97.64 0.1 . 1 . . . . . 16 C C5 . 27933 1 318 . 1 . 1 30 30 C C6 C 13 141.50 0.1 . 1 . . . . . 16 C C6 . 27933 1 319 . 1 . 1 30 30 C N1 N 15 152.20 . . 1 . . . . . 16 C N1 . 27933 1 stop_ save_