data_30108 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30108 _Entry.Title ; Solution structures of the apo state fluoride riboswitch ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-14 _Entry.Accession_date 2016-06-14 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Q. Zhang Q. . . . 30108 2 B. Zhao B. . . . 30108 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 30108 'apo state' . 30108 pseudoknot . 30108 'riboswitch aptamer' . 30108 'transcriptional regulation' . 30108 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30108 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 240 30108 '15N chemical shifts' 19 30108 '1H chemical shifts' 289 30108 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 . . 2017-07-14 . original BMRB . 30108 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KH8 'BMRB Entry Tracking System' 30108 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30108 _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 ; Solution structures of the apo state fluoride riboswitch ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 Q. Zhang Q. . . . 30108 1 2 B. Zhao B. . . . 30108 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30108 _Assembly.ID 1 _Assembly.Name 'riboswitch (47-MER)' _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 entity_1 1 $entity_1 A A yes . . . . . . 30108 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30108 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'riboswitch (47-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 ; GGCGAUGGUGUUCGCCAUAA ACGCUCUUCGGAGCUAAUGA CACCUAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15053.960 _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 . 30108 1 2 2 G . 30108 1 3 3 C . 30108 1 4 4 G . 30108 1 5 5 A . 30108 1 6 6 U . 30108 1 7 7 G . 30108 1 8 8 G . 30108 1 9 9 U . 30108 1 10 10 G . 30108 1 11 11 U . 30108 1 12 12 U . 30108 1 13 13 C . 30108 1 14 14 G . 30108 1 15 15 C . 30108 1 16 16 C . 30108 1 17 17 A . 30108 1 18 18 U . 30108 1 19 19 A . 30108 1 20 20 A . 30108 1 21 21 A . 30108 1 22 22 C . 30108 1 23 23 G . 30108 1 24 24 C . 30108 1 25 25 U . 30108 1 26 26 C . 30108 1 27 27 U . 30108 1 28 28 U . 30108 1 29 29 C . 30108 1 30 30 G . 30108 1 31 31 G . 30108 1 32 32 A . 30108 1 33 33 G . 30108 1 34 34 C . 30108 1 35 35 U . 30108 1 36 36 A . 30108 1 37 37 A . 30108 1 38 38 U . 30108 1 39 39 G . 30108 1 40 40 A . 30108 1 41 41 C . 30108 1 42 42 A . 30108 1 43 43 C . 30108 1 44 44 C . 30108 1 45 45 U . 30108 1 46 46 A . 30108 1 47 47 C . 30108 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 30108 1 . G 2 2 30108 1 . C 3 3 30108 1 . G 4 4 30108 1 . A 5 5 30108 1 . U 6 6 30108 1 . G 7 7 30108 1 . G 8 8 30108 1 . U 9 9 30108 1 . G 10 10 30108 1 . U 11 11 30108 1 . U 12 12 30108 1 . C 13 13 30108 1 . G 14 14 30108 1 . C 15 15 30108 1 . C 16 16 30108 1 . A 17 17 30108 1 . U 18 18 30108 1 . A 19 19 30108 1 . A 20 20 30108 1 . A 21 21 30108 1 . C 22 22 30108 1 . G 23 23 30108 1 . C 24 24 30108 1 . U 25 25 30108 1 . C 26 26 30108 1 . U 27 27 30108 1 . U 28 28 30108 1 . C 29 29 30108 1 . G 30 30 30108 1 . G 31 31 30108 1 . A 32 32 30108 1 . G 33 33 30108 1 . C 34 34 30108 1 . U 35 35 30108 1 . A 36 36 30108 1 . A 37 37 30108 1 . U 38 38 30108 1 . G 39 39 30108 1 . A 40 40 30108 1 . C 41 41 30108 1 . A 42 42 30108 1 . C 43 43 30108 1 . C 44 44 30108 1 . U 45 45 30108 1 . A 46 46 30108 1 . C 47 47 30108 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 30108 _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 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30108 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 30108 _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 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30108 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30108 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM RNA (47mer), 10 mM magnesium chloride, 10 mM sodium phosphate, 50 mM potassium chloride, 50 uM EDTA, 95% H2O/5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 30108 1 2 'RNA (47mer)' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 30108 1 3 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 1 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30108 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30108 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30108 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30108 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM RNA (47mer), 10 mM magnesium chloride, 10 mM sodium phosphate, 50 mM potassium chloride, 50 uM EDTA, 100% D2O.' _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 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 30108 2 2 'RNA (47mer)' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 30108 2 3 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 2 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30108 2 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30108 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30108 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-100% 13C; U-100% 15N] RNA (47mer), 10 mM magnesium chloride, 10 mM sodium phosphate, 50 mM potassium chloride, 50 uM EDTA, 95% H2O/5% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 30108 3 2 'RNA (47mer)' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30108 3 3 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 3 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30108 3 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 3 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30108 3 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30108 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30108 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-100% 13C; U-100% 15N] RNA (47mer), 10 mM magnesium chloride, 10 mM sodium phosphate, 50 mM potassium chloride, 50 uM EDTA, 100% D2O. ; _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 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 30108 4 2 'RNA (47mer)' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30108 4 3 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 4 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30108 4 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30108 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30108 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-13C; U-15N]-Gua RNA (47mer), 10 mM magnesium chloride, 10 mM sodium phosphate, 50 mM potassium chloride, 50 uM EDTA, 100% D2O. ; _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 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 30108 5 2 'RNA (47mer)' '[U-13C; U-15N]-Gua' . . 1 $entity_1 . . 1.0 . . mM . . . . 30108 5 3 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 5 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30108 5 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 5 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30108 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30108 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-13C; U-15N]-Ade ;[U-13C; U-15N]-Ura RNA (47mer), 10 mM magnesium chloride, 10 mM sodium phosphate, 50 mM potassium chloride, 50 uM EDTA, 100% D2O. ; _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 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 30108 6 2 'RNA (47mer)' '[U-13C; U-15N]-Ade ;[U-13C; U-15N]-Ura' . . 1 $entity_1 . . 1.0 . . mM . . . . 30108 6 3 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 6 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30108 6 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30108 6 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30108 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30108 _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' 80 . mM 30108 1 pH 6.4 . pH 30108 1 pressure 1 . atm 30108 1 temperature 303 . K 30108 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 30108 _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' 80 . mM 30108 2 pH 6.4 . pH 30108 2 pressure 1 . atm 30108 2 temperature 283 . K 30108 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30108 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30108 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30108 1 processing 30108 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30108 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30108 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30108 2 'data analysis' 30108 2 'peak picking' 30108 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30108 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30108 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30108 3 'data analysis' 30108 3 processing 30108 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30108 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30108 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30108 4 'structure calculation' 30108 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30108 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30108 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30108 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 30108 1 2 NMR_spectrometer_2 Bruker AvanceIII . 500 . . . 30108 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 30108 _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 . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 8 '2D HCCH COSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 10 '2D HCCH COSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 11 '31P spin-echo' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30108 1 12 '31P spin-echo' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30108 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 16 'CH-HCCH spin-echo' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30108 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30108 1 18 'CH-HCCH spin-echo' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30108 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 30108 _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.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 0.000 internal indirect 0.25144953 . . . . . 30108 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30108 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30108 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30108 _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' . . . 30108 1 2 '2D 1H-1H NOESY' . . . 30108 1 4 '2D 1H-15N HSQC' . . . 30108 1 7 '2D 1H-13C HSQC' . . . 30108 1 8 '2D HCCH COSY' . . . 30108 1 10 '2D HCCH COSY' . . . 30108 1 13 '3D HCCH-TOCSY' . . . 30108 1 14 '3D HCCH-TOCSY' . . . 30108 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30108 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 12.777 . . . . . . A 1 G H1 . 30108 1 2 . 1 1 1 1 G H1' H 1 5.966 . . . . . . A 1 G H1' . 30108 1 3 . 1 1 1 1 G H2' H 1 5.026 . . . . . . A 1 G H2' . 30108 1 4 . 1 1 1 1 G H3' H 1 4.816 . . . . . . A 1 G H3' . 30108 1 5 . 1 1 1 1 G H4' H 1 4.593 . . . . . . A 1 G H4' . 30108 1 6 . 1 1 1 1 G H5' H 1 4.558 . . . . . . A 1 G H5' . 30108 1 7 . 1 1 1 1 G H5'' H 1 4.337 . . . . . . A 1 G H5'' . 30108 1 8 . 1 1 1 1 G H8 H 1 8.256 . . . . . . A 1 G H8 . 30108 1 9 . 1 1 1 1 G C1' C 13 91.293 . . . . . . A 1 G C1' . 30108 1 10 . 1 1 1 1 G C2' C 13 72.386 . . . . . . A 1 G C2' . 30108 1 11 . 1 1 1 1 G C3' C 13 70.755 . . . . . . A 1 G C3' . 30108 1 12 . 1 1 1 1 G C4' C 13 80.303 . . . . . . A 1 G C4' . 30108 1 13 . 1 1 1 1 G C5' C 13 63.304 . . . . . . A 1 G C5' . 30108 1 14 . 1 1 1 1 G C8 C 13 137.533 . . . . . . A 1 G C8 . 30108 1 15 . 1 1 1 1 G N1 N 15 148.209 . . . . . . A 1 G N1 . 30108 1 16 . 1 1 2 2 G H1 H 1 13.332 . . . . . . A 2 G H1 . 30108 1 17 . 1 1 2 2 G H1' H 1 5.597 . . . . . . A 2 G H1' . 30108 1 18 . 1 1 2 2 G H2' H 1 4.538 . . . . . . A 2 G H2' . 30108 1 19 . 1 1 2 2 G H3' H 1 4.563 . . . . . . A 2 G H3' . 30108 1 20 . 1 1 2 2 G H4' H 1 4.449 . . . . . . A 2 G H4' . 30108 1 21 . 1 1 2 2 G H5' H 1 4.495 . . . . . . A 2 G H5' . 30108 1 22 . 1 1 2 2 G H5'' H 1 4.104 . . . . . . A 2 G H5'' . 30108 1 23 . 1 1 2 2 G H8 H 1 7.588 . . . . . . A 2 G H8 . 30108 1 24 . 1 1 2 2 G C1' C 13 90.611 . . . . . . A 2 G C1' . 30108 1 25 . 1 1 2 2 G C2' C 13 72.622 . . . . . . A 2 G C2' . 30108 1 26 . 1 1 2 2 G C3' C 13 70.099 . . . . . . A 2 G C3' . 30108 1 27 . 1 1 2 2 G C4' C 13 79.220 . . . . . . A 2 G C4' . 30108 1 28 . 1 1 2 2 G C5' C 13 62.986 . . . . . . A 2 G C5' . 30108 1 29 . 1 1 2 2 G C8 C 13 134.469 . . . . . . A 2 G C8 . 30108 1 30 . 1 1 2 2 G N1 N 15 149.255 . . . . . . A 2 G N1 . 30108 1 31 . 1 1 3 3 C H5 H 1 5.141 . . . . . . A 3 C H5 . 30108 1 32 . 1 1 3 3 C H6 H 1 7.380 . . . . . . A 3 C H6 . 30108 1 33 . 1 1 3 3 C C5 C 13 95.189 . . . . . . A 3 C C5 . 30108 1 34 . 1 1 3 3 C C6 C 13 138.167 . . . . . . A 3 C C6 . 30108 1 35 . 1 1 4 4 G H1 H 1 12.132 . . . . . . A 4 G H1 . 30108 1 36 . 1 1 4 4 G H1' H 1 5.723 . . . . . . A 4 G H1' . 30108 1 37 . 1 1 4 4 G H2' H 1 4.245 . . . . . . A 4 G H2' . 30108 1 38 . 1 1 4 4 G H3' H 1 5.021 . . . . . . A 4 G H3' . 30108 1 39 . 1 1 4 4 G H4' H 1 4.458 . . . . . . A 4 G H4' . 30108 1 40 . 1 1 4 4 G H8 H 1 7.626 . . . . . . A 4 G H8 . 30108 1 41 . 1 1 4 4 G C1' C 13 88.822 . . . . . . A 4 G C1' . 30108 1 42 . 1 1 4 4 G C2' C 13 76.040 . . . . . . A 4 G C2' . 30108 1 43 . 1 1 4 4 G C3' C 13 70.542 . . . . . . A 4 G C3' . 30108 1 44 . 1 1 4 4 G C4' C 13 79.397 . . . . . . A 4 G C4' . 30108 1 45 . 1 1 4 4 G C5' C 13 63.113 . . . . . . A 4 G C5' . 30108 1 46 . 1 1 4 4 G C8 C 13 135.176 . . . . . . A 4 G C8 . 30108 1 47 . 1 1 4 4 G N1 N 15 147.713 . . . . . . A 4 G N1 . 30108 1 48 . 1 1 5 5 A H1' H 1 6.330 . . . . . . A 5 A H1' . 30108 1 49 . 1 1 5 5 A H2 H 1 7.636 . . . . . . A 5 A H2 . 30108 1 50 . 1 1 5 5 A H2' H 1 4.629 . . . . . . A 5 A H2' . 30108 1 51 . 1 1 5 5 A H3' H 1 5.011 . . . . . . A 5 A H3' . 30108 1 52 . 1 1 5 5 A H4' H 1 4.579 . . . . . . A 5 A H4' . 30108 1 53 . 1 1 5 5 A H5' H 1 4.678 . . . . . . A 5 A H5' . 30108 1 54 . 1 1 5 5 A H5'' H 1 4.539 . . . . . . A 5 A H5'' . 30108 1 55 . 1 1 5 5 A H8 H 1 8.310 . . . . . . A 5 A H8 . 30108 1 56 . 1 1 5 5 A C1' C 13 91.311 . . . . . . A 5 A C1' . 30108 1 57 . 1 1 5 5 A C2 C 13 151.560 . . . . . . A 5 A C2 . 30108 1 58 . 1 1 5 5 A C2' C 13 74.317 . . . . . . A 5 A C2' . 30108 1 59 . 1 1 5 5 A C3' C 13 75.949 . . . . . . A 5 A C3' . 30108 1 60 . 1 1 5 5 A C4' C 13 76.955 . . . . . . A 5 A C4' . 30108 1 61 . 1 1 5 5 A C5' C 13 65.615 . . . . . . A 5 A C5' . 30108 1 62 . 1 1 5 5 A C8 C 13 138.440 . . . . . . A 5 A C8 . 30108 1 63 . 1 1 6 6 U H1' H 1 6.260 . . . . . . A 6 U H1' . 30108 1 64 . 1 1 6 6 U H2' H 1 4.605 . . . . . . A 6 U H2' . 30108 1 65 . 1 1 6 6 U H3' H 1 5.001 . . . . . . A 6 U H3' . 30108 1 66 . 1 1 6 6 U H4' H 1 4.340 . . . . . . A 6 U H4' . 30108 1 67 . 1 1 6 6 U H5 H 1 4.790 . . . . . . A 6 U H5 . 30108 1 68 . 1 1 6 6 U H5' H 1 4.399 . . . . . . A 6 U H5' . 30108 1 69 . 1 1 6 6 U H6 H 1 7.574 . . . . . . A 6 U H6 . 30108 1 70 . 1 1 6 6 U C1' C 13 90.695 . . . . . . A 6 U C1' . 30108 1 71 . 1 1 6 6 U C2' C 13 73.527 . . . . . . A 6 U C2' . 30108 1 72 . 1 1 6 6 U C3' C 13 71.285 . . . . . . A 6 U C3' . 30108 1 73 . 1 1 6 6 U C4' C 13 81.627 . . . . . . A 6 U C4' . 30108 1 74 . 1 1 6 6 U C5 C 13 101.229 . . . . . . A 6 U C5 . 30108 1 75 . 1 1 6 6 U C5' C 13 62.765 . . . . . . A 6 U C5' . 30108 1 76 . 1 1 6 6 U C6 C 13 142.388 . . . . . . A 6 U C6 . 30108 1 77 . 1 1 7 7 G H1 H 1 12.446 . . . . . . A 7 G H1 . 30108 1 78 . 1 1 7 7 G H1' H 1 5.351 . . . . . . A 7 G H1' . 30108 1 79 . 1 1 7 7 G H2' H 1 4.491 . . . . . . A 7 G H2' . 30108 1 80 . 1 1 7 7 G H3' H 1 4.154 . . . . . . A 7 G H3' . 30108 1 81 . 1 1 7 7 G H4' H 1 4.388 . . . . . . A 7 G H4' . 30108 1 82 . 1 1 7 7 G H5' H 1 4.369 . . . . . . A 7 G H5' . 30108 1 83 . 1 1 7 7 G H5'' H 1 4.004 . . . . . . A 7 G H5'' . 30108 1 84 . 1 1 7 7 G H8 H 1 6.646 . . . . . . A 7 G H8 . 30108 1 85 . 1 1 7 7 G C1' C 13 90.486 . . . . . . A 7 G C1' . 30108 1 86 . 1 1 7 7 G C2' C 13 72.106 . . . . . . A 7 G C2' . 30108 1 87 . 1 1 7 7 G C3' C 13 70.814 . . . . . . A 7 G C3' . 30108 1 88 . 1 1 7 7 G C4' C 13 79.789 . . . . . . A 7 G C4' . 30108 1 89 . 1 1 7 7 G C5' C 13 64.337 . . . . . . A 7 G C5' . 30108 1 90 . 1 1 7 7 G C8 C 13 133.263 . . . . . . A 7 G C8 . 30108 1 91 . 1 1 7 7 G N1 N 15 148.216 . . . . . . A 7 G N1 . 30108 1 92 . 1 1 8 8 G H1 H 1 12.891 . . . . . . A 8 G H1 . 30108 1 93 . 1 1 8 8 G H1' H 1 5.672 . . . . . . A 8 G H1' . 30108 1 94 . 1 1 8 8 G H2' H 1 4.245 . . . . . . A 8 G H2' . 30108 1 95 . 1 1 8 8 G H8 H 1 6.921 . . . . . . A 8 G H8 . 30108 1 96 . 1 1 8 8 G C1' C 13 91.145 . . . . . . A 8 G C1' . 30108 1 97 . 1 1 8 8 G C2' C 13 72.529 . . . . . . A 8 G C2' . 30108 1 98 . 1 1 8 8 G C8 C 13 134.027 . . . . . . A 8 G C8 . 30108 1 99 . 1 1 8 8 G N1 N 15 149.238 . . . . . . A 8 G N1 . 30108 1 100 . 1 1 9 9 U H1' H 1 5.577 . . . . . . A 9 U H1' . 30108 1 101 . 1 1 9 9 U H2' H 1 4.543 . . . . . . A 9 U H2' . 30108 1 102 . 1 1 9 9 U H3 H 1 13.370 . . . . . . A 9 U H3 . 30108 1 103 . 1 1 9 9 U H5 H 1 4.820 . . . . . . A 9 U H5 . 30108 1 104 . 1 1 9 9 U H6 H 1 7.790 . . . . . . A 9 U H6 . 30108 1 105 . 1 1 9 9 U C1' C 13 90.900 . . . . . . A 9 U C1' . 30108 1 106 . 1 1 9 9 U C5 C 13 100.572 . . . . . . A 9 U C5 . 30108 1 107 . 1 1 9 9 U C6 C 13 139.134 . . . . . . A 9 U C6 . 30108 1 108 . 1 1 9 9 U N3 N 15 161.790 . . . . . . A 9 U N3 . 30108 1 109 . 1 1 10 10 G H1 H 1 12.593 . . . . . . A 10 G H1 . 30108 1 110 . 1 1 10 10 G H1' H 1 5.810 . . . . . . A 10 G H1' . 30108 1 111 . 1 1 10 10 G H2' H 1 4.385 . . . . . . A 10 G H2' . 30108 1 112 . 1 1 10 10 G H3' H 1 4.477 . . . . . . A 10 G H3' . 30108 1 113 . 1 1 10 10 G H4' H 1 4.469 . . . . . . A 10 G H4' . 30108 1 114 . 1 1 10 10 G H5' H 1 4.453 . . . . . . A 10 G H5' . 30108 1 115 . 1 1 10 10 G H8 H 1 7.506 . . . . . . A 10 G H8 . 30108 1 116 . 1 1 10 10 G C1' C 13 90.397 . . . . . . A 10 G C1' . 30108 1 117 . 1 1 10 10 G C2' C 13 72.933 . . . . . . A 10 G C2' . 30108 1 118 . 1 1 10 10 G C3' C 13 69.993 . . . . . . A 10 G C3' . 30108 1 119 . 1 1 10 10 G C4' C 13 79.036 . . . . . . A 10 G C4' . 30108 1 120 . 1 1 10 10 G C5' C 13 63.052 . . . . . . A 10 G C5' . 30108 1 121 . 1 1 10 10 G C8 C 13 133.582 . . . . . . A 10 G C8 . 30108 1 122 . 1 1 10 10 G N1 N 15 147.805 . . . . . . A 10 G N1 . 30108 1 123 . 1 1 11 11 U H1' H 1 5.338 . . . . . . A 11 U H1' . 30108 1 124 . 1 1 11 11 U H2' H 1 4.507 . . . . . . A 11 U H2' . 30108 1 125 . 1 1 11 11 U H3 H 1 14.175 . . . . . . A 11 U H3 . 30108 1 126 . 1 1 11 11 U H3' H 1 4.282 . . . . . . A 11 U H3' . 30108 1 127 . 1 1 11 11 U H4' H 1 4.374 . . . . . . A 11 U H4' . 30108 1 128 . 1 1 11 11 U H5 H 1 5.079 . . . . . . A 11 U H5 . 30108 1 129 . 1 1 11 11 U H6 H 1 7.484 . . . . . . A 11 U H6 . 30108 1 130 . 1 1 11 11 U C1' C 13 91.525 . . . . . . A 11 U C1' . 30108 1 131 . 1 1 11 11 U C2' C 13 72.607 . . . . . . A 11 U C2' . 30108 1 132 . 1 1 11 11 U C3' C 13 69.143 . . . . . . A 11 U C3' . 30108 1 133 . 1 1 11 11 U C4' C 13 79.319 . . . . . . A 11 U C4' . 30108 1 134 . 1 1 11 11 U C5 C 13 101.099 . . . . . . A 11 U C5 . 30108 1 135 . 1 1 11 11 U C6 C 13 138.503 . . . . . . A 11 U C6 . 30108 1 136 . 1 1 11 11 U N3 N 15 162.596 . . . . . . A 11 U N3 . 30108 1 137 . 1 1 12 12 U H1' H 1 5.573 . . . . . . A 12 U H1' . 30108 1 138 . 1 1 12 12 U H2' H 1 4.226 . . . . . . A 12 U H2' . 30108 1 139 . 1 1 12 12 U H3 H 1 12.255 . . . . . . A 12 U H3 . 30108 1 140 . 1 1 12 12 U H5 H 1 5.776 . . . . . . A 12 U H5 . 30108 1 141 . 1 1 12 12 U H6 H 1 8.077 . . . . . . A 12 U H6 . 30108 1 142 . 1 1 12 12 U C1' C 13 91.353 . . . . . . A 12 U C1' . 30108 1 143 . 1 1 12 12 U C5 C 13 102.767 . . . . . . A 12 U C5 . 30108 1 144 . 1 1 12 12 U C6 C 13 139.329 . . . . . . A 12 U C6 . 30108 1 145 . 1 1 12 12 U N3 N 15 159.753 . . . . . . A 12 U N3 . 30108 1 146 . 1 1 13 13 C H1' H 1 5.477 . . . . . . A 13 C H1' . 30108 1 147 . 1 1 13 13 C H5 H 1 5.673 . . . . . . A 13 C H5 . 30108 1 148 . 1 1 13 13 C H6 H 1 7.764 . . . . . . A 13 C H6 . 30108 1 149 . 1 1 13 13 C C1' C 13 91.553 . . . . . . A 13 C C1' . 30108 1 150 . 1 1 13 13 C C5 C 13 96.131 . . . . . . A 13 C C5 . 30108 1 151 . 1 1 13 13 C C6 C 13 139.463 . . . . . . A 13 C C6 . 30108 1 152 . 1 1 14 14 G H1 H 1 13.051 . . . . . . A 14 G H1 . 30108 1 153 . 1 1 14 14 G H1' H 1 5.965 . . . . . . A 14 G H1' . 30108 1 154 . 1 1 14 14 G H2' H 1 4.658 . . . . . . A 14 G H2' . 30108 1 155 . 1 1 14 14 G H3' H 1 4.570 . . . . . . A 14 G H3' . 30108 1 156 . 1 1 14 14 G H4' H 1 4.608 . . . . . . A 14 G H4' . 30108 1 157 . 1 1 14 14 G H8 H 1 7.651 . . . . . . A 14 G H8 . 30108 1 158 . 1 1 14 14 G C1' C 13 91.129 . . . . . . A 14 G C1' . 30108 1 159 . 1 1 14 14 G C2' C 13 72.187 . . . . . . A 14 G C2' . 30108 1 160 . 1 1 14 14 G C3' C 13 69.997 . . . . . . A 14 G C3' . 30108 1 161 . 1 1 14 14 G C4' C 13 79.212 . . . . . . A 14 G C4' . 30108 1 162 . 1 1 14 14 G C8 C 13 133.978 . . . . . . A 14 G C8 . 30108 1 163 . 1 1 14 14 G N1 N 15 148.845 . . . . . . A 14 G N1 . 30108 1 164 . 1 1 15 15 C H1' H 1 5.462 . . . . . . A 15 C H1' . 30108 1 165 . 1 1 15 15 C H5 H 1 5.233 . . . . . . A 15 C H5 . 30108 1 166 . 1 1 15 15 C H6 H 1 7.750 . . . . . . A 15 C H6 . 30108 1 167 . 1 1 15 15 C C1' C 13 92.115 . . . . . . A 15 C C1' . 30108 1 168 . 1 1 15 15 C C5 C 13 94.332 . . . . . . A 15 C C5 . 30108 1 169 . 1 1 15 15 C C6 C 13 138.877 . . . . . . A 15 C C6 . 30108 1 170 . 1 1 16 16 C H1' H 1 5.807 . . . . . . A 16 C H1' . 30108 1 171 . 1 1 16 16 C H5 H 1 5.456 . . . . . . A 16 C H5 . 30108 1 172 . 1 1 16 16 C H6 H 1 7.820 . . . . . . A 16 C H6 . 30108 1 173 . 1 1 16 16 C C1' C 13 92.680 . . . . . . A 16 C C1' . 30108 1 174 . 1 1 16 16 C C5 C 13 94.939 . . . . . . A 16 C C5 . 30108 1 175 . 1 1 16 16 C C6 C 13 139.138 . . . . . . A 16 C C6 . 30108 1 176 . 1 1 17 17 A H1' H 1 5.932 . . . . . . A 17 A H1' . 30108 1 177 . 1 1 17 17 A H2 H 1 7.618 . . . . . . A 17 A H2 . 30108 1 178 . 1 1 17 17 A H2' H 1 4.511 . . . . . . A 17 A H2' . 30108 1 179 . 1 1 17 17 A H3' H 1 4.648 . . . . . . A 17 A H3' . 30108 1 180 . 1 1 17 17 A H4' H 1 4.175 . . . . . . A 17 A H4' . 30108 1 181 . 1 1 17 17 A H5' H 1 4.653 . . . . . . A 17 A H5' . 30108 1 182 . 1 1 17 17 A H5'' H 1 3.964 . . . . . . A 17 A H5'' . 30108 1 183 . 1 1 17 17 A H8 H 1 8.262 . . . . . . A 17 A H8 . 30108 1 184 . 1 1 17 17 A C1' C 13 86.811 . . . . . . A 17 A C1' . 30108 1 185 . 1 1 17 17 A C2 C 13 152.640 . . . . . . A 17 A C2 . 30108 1 186 . 1 1 17 17 A C2' C 13 75.106 . . . . . . A 17 A C2' . 30108 1 187 . 1 1 17 17 A C3' C 13 76.918 . . . . . . A 17 A C3' . 30108 1 188 . 1 1 17 17 A C4' C 13 82.771 . . . . . . A 17 A C4' . 30108 1 189 . 1 1 17 17 A C5' C 13 64.524 . . . . . . A 17 A C5' . 30108 1 190 . 1 1 17 17 A C8 C 13 139.710 . . . . . . A 17 A C8 . 30108 1 191 . 1 1 18 18 U H1' H 1 5.617 . . . . . . A 18 U H1' . 30108 1 192 . 1 1 18 18 U H2' H 1 4.203 . . . . . . A 18 U H2' . 30108 1 193 . 1 1 18 18 U H3' H 1 4.467 . . . . . . A 18 U H3' . 30108 1 194 . 1 1 18 18 U H4' H 1 4.050 . . . . . . A 18 U H4' . 30108 1 195 . 1 1 18 18 U H5 H 1 5.913 . . . . . . A 18 U H5 . 30108 1 196 . 1 1 18 18 U H5' H 1 3.634 . . . . . . A 18 U H5' . 30108 1 197 . 1 1 18 18 U H6 H 1 7.590 . . . . . . A 18 U H6 . 30108 1 198 . 1 1 18 18 U C1' C 13 87.558 . . . . . . A 18 U C1' . 30108 1 199 . 1 1 18 18 U C2' C 13 73.139 . . . . . . A 18 U C2' . 30108 1 200 . 1 1 18 18 U C3' C 13 75.704 . . . . . . A 18 U C3' . 30108 1 201 . 1 1 18 18 U C4' C 13 81.500 . . . . . . A 18 U C4' . 30108 1 202 . 1 1 18 18 U C5 C 13 103.268 . . . . . . A 18 U C5 . 30108 1 203 . 1 1 18 18 U C5' C 13 64.527 . . . . . . A 18 U C5' . 30108 1 204 . 1 1 18 18 U C6 C 13 141.543 . . . . . . A 18 U C6 . 30108 1 205 . 1 1 19 19 A H1' H 1 5.482 . . . . . . A 19 A H1' . 30108 1 206 . 1 1 19 19 A H2 H 1 7.991 . . . . . . A 19 A H2 . 30108 1 207 . 1 1 19 19 A H2' H 1 4.041 . . . . . . A 19 A H2' . 30108 1 208 . 1 1 19 19 A H3' H 1 4.632 . . . . . . A 19 A H3' . 30108 1 209 . 1 1 19 19 A H4' H 1 4.396 . . . . . . A 19 A H4' . 30108 1 210 . 1 1 19 19 A H5' H 1 4.169 . . . . . . A 19 A H5' . 30108 1 211 . 1 1 19 19 A H5'' H 1 4.087 . . . . . . A 19 A H5'' . 30108 1 212 . 1 1 19 19 A H8 H 1 7.992 . . . . . . A 19 A H8 . 30108 1 213 . 1 1 19 19 A C1' C 13 87.991 . . . . . . A 19 A C1' . 30108 1 214 . 1 1 19 19 A C2 C 13 153.698 . . . . . . A 19 A C2 . 30108 1 215 . 1 1 19 19 A C2' C 13 72.381 . . . . . . A 19 A C2' . 30108 1 216 . 1 1 19 19 A C3' C 13 72.888 . . . . . . A 19 A C3' . 30108 1 217 . 1 1 19 19 A C4' C 13 80.622 . . . . . . A 19 A C4' . 30108 1 218 . 1 1 19 19 A C5' C 13 65.816 . . . . . . A 19 A C5' . 30108 1 219 . 1 1 19 19 A C8 C 13 138.982 . . . . . . A 19 A C8 . 30108 1 220 . 1 1 20 20 A H1' H 1 5.859 . . . . . . A 20 A H1' . 30108 1 221 . 1 1 20 20 A H2 H 1 8.543 . . . . . . A 20 A H2 . 30108 1 222 . 1 1 20 20 A H2' H 1 4.279 . . . . . . A 20 A H2' . 30108 1 223 . 1 1 20 20 A H3' H 1 4.871 . . . . . . A 20 A H3' . 30108 1 224 . 1 1 20 20 A H4' H 1 4.331 . . . . . . A 20 A H4' . 30108 1 225 . 1 1 20 20 A H5' H 1 4.437 . . . . . . A 20 A H5' . 30108 1 226 . 1 1 20 20 A H5'' H 1 4.271 . . . . . . A 20 A H5'' . 30108 1 227 . 1 1 20 20 A H8 H 1 7.942 . . . . . . A 20 A H8 . 30108 1 228 . 1 1 20 20 A C1' C 13 89.138 . . . . . . A 20 A C1' . 30108 1 229 . 1 1 20 20 A C2 C 13 154.931 . . . . . . A 20 A C2 . 30108 1 230 . 1 1 20 20 A C3' C 13 71.115 . . . . . . A 20 A C3' . 30108 1 231 . 1 1 20 20 A C4' C 13 80.936 . . . . . . A 20 A C4' . 30108 1 232 . 1 1 20 20 A C5' C 13 63.721 . . . . . . A 20 A C5' . 30108 1 233 . 1 1 20 20 A C8 C 13 138.607 . . . . . . A 20 A C8 . 30108 1 234 . 1 1 21 21 A H1' H 1 5.920 . . . . . . A 21 A H1' . 30108 1 235 . 1 1 21 21 A H2 H 1 8.230 . . . . . . A 21 A H2 . 30108 1 236 . 1 1 21 21 A H2' H 1 4.175 . . . . . . A 21 A H2' . 30108 1 237 . 1 1 21 21 A H3' H 1 4.302 . . . . . . A 21 A H3' . 30108 1 238 . 1 1 21 21 A H4' H 1 4.239 . . . . . . A 21 A H4' . 30108 1 239 . 1 1 21 21 A H5' H 1 4.166 . . . . . . A 21 A H5' . 30108 1 240 . 1 1 21 21 A H5'' H 1 4.021 . . . . . . A 21 A H5'' . 30108 1 241 . 1 1 21 21 A H8 H 1 8.315 . . . . . . A 21 A H8 . 30108 1 242 . 1 1 21 21 A C1' C 13 87.874 . . . . . . A 21 A C1' . 30108 1 243 . 1 1 21 21 A C2 C 13 153.382 . . . . . . A 21 A C2 . 30108 1 244 . 1 1 21 21 A C2' C 13 75.825 . . . . . . A 21 A C2' . 30108 1 245 . 1 1 21 21 A C3' C 13 69.788 . . . . . . A 21 A C3' . 30108 1 246 . 1 1 21 21 A C4' C 13 83.354 . . . . . . A 21 A C4' . 30108 1 247 . 1 1 21 21 A C5' C 13 63.982 . . . . . . A 21 A C5' . 30108 1 248 . 1 1 21 21 A C8 C 13 138.528 . . . . . . A 21 A C8 . 30108 1 249 . 1 1 22 22 C H1' H 1 5.967 . . . . . . A 22 C H1' . 30108 1 250 . 1 1 22 22 C H2' H 1 4.304 . . . . . . A 22 C H2' . 30108 1 251 . 1 1 22 22 C H5 H 1 5.805 . . . . . . A 22 C H5 . 30108 1 252 . 1 1 22 22 C H6 H 1 7.817 . . . . . . A 22 C H6 . 30108 1 253 . 1 1 22 22 C C1' C 13 90.901 . . . . . . A 22 C C1' . 30108 1 254 . 1 1 22 22 C C5 C 13 95.994 . . . . . . A 22 C C5 . 30108 1 255 . 1 1 22 22 C C6 C 13 140.788 . . . . . . A 22 C C6 . 30108 1 256 . 1 1 23 23 G H1 H 1 13.136 . . . . . . A 23 G H1 . 30108 1 257 . 1 1 23 23 G H1' H 1 5.427 . . . . . . A 23 G H1' . 30108 1 258 . 1 1 23 23 G H2' H 1 4.633 . . . . . . A 23 G H2' . 30108 1 259 . 1 1 23 23 G H3' H 1 4.574 . . . . . . A 23 G H3' . 30108 1 260 . 1 1 23 23 G H4' H 1 4.431 . . . . . . A 23 G H4' . 30108 1 261 . 1 1 23 23 G H5' H 1 4.269 . . . . . . A 23 G H5' . 30108 1 262 . 1 1 23 23 G H5'' H 1 4.122 . . . . . . A 23 G H5'' . 30108 1 263 . 1 1 23 23 G H8 H 1 7.162 . . . . . . A 23 G H8 . 30108 1 264 . 1 1 23 23 G C1' C 13 91.319 . . . . . . A 23 G C1' . 30108 1 265 . 1 1 23 23 G C2' C 13 72.187 . . . . . . A 23 G C2' . 30108 1 266 . 1 1 23 23 G C3' C 13 69.869 . . . . . . A 23 G C3' . 30108 1 267 . 1 1 23 23 G C4' C 13 80.316 . . . . . . A 23 G C4' . 30108 1 268 . 1 1 23 23 G C5' C 13 62.861 . . . . . . A 23 G C5' . 30108 1 269 . 1 1 23 23 G C8 C 13 135.462 . . . . . . A 23 G C8 . 30108 1 270 . 1 1 23 23 G N1 N 15 148.816 . . . . . . A 23 G N1 . 30108 1 271 . 1 1 24 24 C H1' H 1 5.563 . . . . . . A 24 C H1' . 30108 1 272 . 1 1 24 24 C H5 H 1 5.228 . . . . . . A 24 C H5 . 30108 1 273 . 1 1 24 24 C H6 H 1 7.793 . . . . . . A 24 C H6 . 30108 1 274 . 1 1 24 24 C C1' C 13 91.900 . . . . . . A 24 C C1' . 30108 1 275 . 1 1 24 24 C C5 C 13 94.610 . . . . . . A 24 C C5 . 30108 1 276 . 1 1 24 24 C C6 C 13 139.546 . . . . . . A 24 C C6 . 30108 1 277 . 1 1 25 25 U H1' H 1 5.581 . . . . . . A 25 U H1' . 30108 1 278 . 1 1 25 25 U H2' H 1 4.590 . . . . . . A 25 U H2' . 30108 1 279 . 1 1 25 25 U H3 H 1 13.958 . . . . . . A 25 U H3 . 30108 1 280 . 1 1 25 25 U H5 H 1 5.434 . . . . . . A 25 U H5 . 30108 1 281 . 1 1 25 25 U H6 H 1 7.926 . . . . . . A 25 U H6 . 30108 1 282 . 1 1 25 25 U C1' C 13 91.500 . . . . . . A 25 U C1' . 30108 1 283 . 1 1 25 25 U C5 C 13 101.183 . . . . . . A 25 U C5 . 30108 1 284 . 1 1 25 25 U C6 C 13 140.055 . . . . . . A 25 U C6 . 30108 1 285 . 1 1 25 25 U N3 N 15 163.004 . . . . . . A 25 U N3 . 30108 1 286 . 1 1 26 26 C H1' H 1 5.538 . . . . . . A 26 C H1' . 30108 1 287 . 1 1 26 26 C H5 H 1 5.637 . . . . . . A 26 C H5 . 30108 1 288 . 1 1 26 26 C H6 H 1 7.746 . . . . . . A 26 C H6 . 30108 1 289 . 1 1 26 26 C C1' C 13 91.857 . . . . . . A 26 C C1' . 30108 1 290 . 1 1 26 26 C C5 C 13 95.554 . . . . . . A 26 C C5 . 30108 1 291 . 1 1 26 26 C C6 C 13 139.154 . . . . . . A 26 C C6 . 30108 1 292 . 1 1 27 27 U H1' H 1 5.513 . . . . . . A 27 U H1' . 30108 1 293 . 1 1 27 27 U H2' H 1 3.720 . . . . . . A 27 U H2' . 30108 1 294 . 1 1 27 27 U H3' H 1 4.520 . . . . . . A 27 U H3' . 30108 1 295 . 1 1 27 27 U H4' H 1 4.334 . . . . . . A 27 U H4' . 30108 1 296 . 1 1 27 27 U H5 H 1 5.710 . . . . . . A 27 U H5 . 30108 1 297 . 1 1 27 27 U H5' H 1 4.490 . . . . . . A 27 U H5' . 30108 1 298 . 1 1 27 27 U H5'' H 1 4.071 . . . . . . A 27 U H5'' . 30108 1 299 . 1 1 27 27 U H6 H 1 7.775 . . . . . . A 27 U H6 . 30108 1 300 . 1 1 27 27 U C1' C 13 92.316 . . . . . . A 27 U C1' . 30108 1 301 . 1 1 27 27 U C2' C 13 73.142 . . . . . . A 27 U C2' . 30108 1 302 . 1 1 27 27 U C3' C 13 70.330 . . . . . . A 27 U C3' . 30108 1 303 . 1 1 27 27 U C4' C 13 79.687 . . . . . . A 27 U C4' . 30108 1 304 . 1 1 27 27 U C5 C 13 102.811 . . . . . . A 27 U C5 . 30108 1 305 . 1 1 27 27 U C5' C 13 61.219 . . . . . . A 27 U C5' . 30108 1 306 . 1 1 27 27 U C6 C 13 138.657 . . . . . . A 27 U C6 . 30108 1 307 . 1 1 28 28 U H1' H 1 6.076 . . . . . . A 28 U H1' . 30108 1 308 . 1 1 28 28 U H2' H 1 4.624 . . . . . . A 28 U H2' . 30108 1 309 . 1 1 28 28 U H3' H 1 3.994 . . . . . . A 28 U H3' . 30108 1 310 . 1 1 28 28 U H4' H 1 4.456 . . . . . . A 28 U H4' . 30108 1 311 . 1 1 28 28 U H5 H 1 5.844 . . . . . . A 28 U H5 . 30108 1 312 . 1 1 28 28 U H5' H 1 4.216 . . . . . . A 28 U H5' . 30108 1 313 . 1 1 28 28 U H5'' H 1 4.015 . . . . . . A 28 U H5'' . 30108 1 314 . 1 1 28 28 U H6 H 1 8.003 . . . . . . A 28 U H6 . 30108 1 315 . 1 1 28 28 U C1' C 13 87.059 . . . . . . A 28 U C1' . 30108 1 316 . 1 1 28 28 U C2' C 13 71.800 . . . . . . A 28 U C2' . 30108 1 317 . 1 1 28 28 U C3' C 13 75.000 . . . . . . A 28 U C3' . 30108 1 318 . 1 1 28 28 U C4' C 13 84.220 . . . . . . A 28 U C4' . 30108 1 319 . 1 1 28 28 U C5 C 13 103.320 . . . . . . A 28 U C5 . 30108 1 320 . 1 1 28 28 U C5' C 13 65.094 . . . . . . A 28 U C5' . 30108 1 321 . 1 1 28 28 U C6 C 13 142.581 . . . . . . A 28 U C6 . 30108 1 322 . 1 1 29 29 C H1' H 1 5.930 . . . . . . A 29 C H1' . 30108 1 323 . 1 1 29 29 C H2' H 1 4.081 . . . . . . A 29 C H2' . 30108 1 324 . 1 1 29 29 C H3' H 1 4.475 . . . . . . A 29 C H3' . 30108 1 325 . 1 1 29 29 C H4' H 1 3.784 . . . . . . A 29 C H4' . 30108 1 326 . 1 1 29 29 C H5 H 1 6.113 . . . . . . A 29 C H5 . 30108 1 327 . 1 1 29 29 C H5' H 1 3.596 . . . . . . A 29 C H5' . 30108 1 328 . 1 1 29 29 C H5'' H 1 2.703 . . . . . . A 29 C H5'' . 30108 1 329 . 1 1 29 29 C H6 H 1 7.662 . . . . . . A 29 C H6 . 30108 1 330 . 1 1 29 29 C C1' C 13 86.949 . . . . . . A 29 C C1' . 30108 1 331 . 1 1 29 29 C C5 C 13 96.440 . . . . . . A 29 C C5 . 30108 1 332 . 1 1 29 29 C C6 C 13 140.722 . . . . . . A 29 C C6 . 30108 1 333 . 1 1 30 30 G H1 H 1 9.752 . . . . . . A 30 G H1 . 30108 1 334 . 1 1 30 30 G H1' H 1 5.950 . . . . . . A 30 G H1' . 30108 1 335 . 1 1 30 30 G H2' H 1 4.835 . . . . . . A 30 G H2' . 30108 1 336 . 1 1 30 30 G H3' H 1 5.617 . . . . . . A 30 G H3' . 30108 1 337 . 1 1 30 30 G H4' H 1 4.404 . . . . . . A 30 G H4' . 30108 1 338 . 1 1 30 30 G H5' H 1 4.389 . . . . . . A 30 G H5' . 30108 1 339 . 1 1 30 30 G H5'' H 1 4.184 . . . . . . A 30 G H5'' . 30108 1 340 . 1 1 30 30 G H8 H 1 7.847 . . . . . . A 30 G H8 . 30108 1 341 . 1 1 30 30 G C1' C 13 92.359 . . . . . . A 30 G C1' . 30108 1 342 . 1 1 30 30 G C2' C 13 74.591 . . . . . . A 30 G C2' . 30108 1 343 . 1 1 30 30 G C3' C 13 73.227 . . . . . . A 30 G C3' . 30108 1 344 . 1 1 30 30 G C4' C 13 80.468 . . . . . . A 30 G C4' . 30108 1 345 . 1 1 30 30 G C5' C 13 66.335 . . . . . . A 30 G C5' . 30108 1 346 . 1 1 30 30 G C8 C 13 140.903 . . . . . . A 30 G C8 . 30108 1 347 . 1 1 30 30 G N1 N 15 143.837 . . . . . . A 30 G N1 . 30108 1 348 . 1 1 31 31 G H1 H 1 12.517 . . . . . . A 31 G H1 . 30108 1 349 . 1 1 31 31 G H1' H 1 4.439 . . . . . . A 31 G H1' . 30108 1 350 . 1 1 31 31 G H2' H 1 4.504 . . . . . . A 31 G H2' . 30108 1 351 . 1 1 31 31 G H3' H 1 4.343 . . . . . . A 31 G H3' . 30108 1 352 . 1 1 31 31 G H4' H 1 4.381 . . . . . . A 31 G H4' . 30108 1 353 . 1 1 31 31 G H5' H 1 4.526 . . . . . . A 31 G H5' . 30108 1 354 . 1 1 31 31 G H5'' H 1 4.291 . . . . . . A 31 G H5'' . 30108 1 355 . 1 1 31 31 G H8 H 1 8.306 . . . . . . A 31 G H8 . 30108 1 356 . 1 1 31 31 G C1' C 13 90.921 . . . . . . A 31 G C1' . 30108 1 357 . 1 1 31 31 G C2' C 13 72.486 . . . . . . A 31 G C2' . 30108 1 358 . 1 1 31 31 G C3' C 13 71.983 . . . . . . A 31 G C3' . 30108 1 359 . 1 1 31 31 G C4' C 13 80.432 . . . . . . A 31 G C4' . 30108 1 360 . 1 1 31 31 G C5' C 13 67.044 . . . . . . A 31 G C5' . 30108 1 361 . 1 1 31 31 G C8 C 13 137.053 . . . . . . A 31 G C8 . 30108 1 362 . 1 1 31 31 G N1 N 15 147.543 . . . . . . A 31 G N1 . 30108 1 363 . 1 1 32 32 A H1' H 1 5.965 . . . . . . A 32 A H1' . 30108 1 364 . 1 1 32 32 A H2 H 1 7.508 . . . . . . A 32 A H2 . 30108 1 365 . 1 1 32 32 A H2' H 1 4.676 . . . . . . A 32 A H2' . 30108 1 366 . 1 1 32 32 A H3' H 1 4.694 . . . . . . A 32 A H3' . 30108 1 367 . 1 1 32 32 A H4' H 1 4.450 . . . . . . A 32 A H4' . 30108 1 368 . 1 1 32 32 A H8 H 1 7.846 . . . . . . A 32 A H8 . 30108 1 369 . 1 1 32 32 A C1' C 13 90.698 . . . . . . A 32 A C1' . 30108 1 370 . 1 1 32 32 A C2 C 13 151.454 . . . . . . A 32 A C2 . 30108 1 371 . 1 1 32 32 A C2' C 13 72.887 . . . . . . A 32 A C2' . 30108 1 372 . 1 1 32 32 A C3' C 13 69.618 . . . . . . A 32 A C3' . 30108 1 373 . 1 1 32 32 A C4' C 13 79.048 . . . . . . A 32 A C4' . 30108 1 374 . 1 1 32 32 A C8 C 13 137.519 . . . . . . A 32 A C8 . 30108 1 375 . 1 1 33 33 G H1 H 1 13.517 . . . . . . A 33 G H1 . 30108 1 376 . 1 1 33 33 G H1' H 1 5.653 . . . . . . A 33 G H1' . 30108 1 377 . 1 1 33 33 G H2' H 1 4.464 . . . . . . A 33 G H2' . 30108 1 378 . 1 1 33 33 G H5' H 1 4.473 . . . . . . A 33 G H5' . 30108 1 379 . 1 1 33 33 G H5'' H 1 4.054 . . . . . . A 33 G H5'' . 30108 1 380 . 1 1 33 33 G H8 H 1 7.221 . . . . . . A 33 G H8 . 30108 1 381 . 1 1 33 33 G C1' C 13 90.487 . . . . . . A 33 G C1' . 30108 1 382 . 1 1 33 33 G C2' C 13 72.666 . . . . . . A 33 G C2' . 30108 1 383 . 1 1 33 33 G C5' C 13 63.069 . . . . . . A 33 G C5' . 30108 1 384 . 1 1 33 33 G C8 C 13 133.566 . . . . . . A 33 G C8 . 30108 1 385 . 1 1 33 33 G N1 N 15 148.845 . . . . . . A 33 G N1 . 30108 1 386 . 1 1 34 34 C H1' H 1 5.475 . . . . . . A 34 C H1' . 30108 1 387 . 1 1 34 34 C H5 H 1 5.191 . . . . . . A 34 C H5 . 30108 1 388 . 1 1 34 34 C H6 H 1 7.508 . . . . . . A 34 C H6 . 30108 1 389 . 1 1 34 34 C C1' C 13 91.886 . . . . . . A 34 C C1' . 30108 1 390 . 1 1 34 34 C C5 C 13 95.168 . . . . . . A 34 C C5 . 30108 1 391 . 1 1 34 34 C C6 C 13 138.625 . . . . . . A 34 C C6 . 30108 1 392 . 1 1 35 35 U H1' H 1 5.623 . . . . . . A 35 U H1' . 30108 1 393 . 1 1 35 35 U H2' H 1 4.417 . . . . . . A 35 U H2' . 30108 1 394 . 1 1 35 35 U H3 H 1 13.126 . . . . . . A 35 U H3 . 30108 1 395 . 1 1 35 35 U H3' H 1 4.548 . . . . . . A 35 U H3' . 30108 1 396 . 1 1 35 35 U H4' H 1 4.429 . . . . . . A 35 U H4' . 30108 1 397 . 1 1 35 35 U H5 H 1 5.470 . . . . . . A 35 U H5 . 30108 1 398 . 1 1 35 35 U H5' H 1 4.540 . . . . . . A 35 U H5' . 30108 1 399 . 1 1 35 35 U H5'' H 1 4.038 . . . . . . A 35 U H5'' . 30108 1 400 . 1 1 35 35 U H6 H 1 7.799 . . . . . . A 35 U H6 . 30108 1 401 . 1 1 35 35 U C1' C 13 91.500 . . . . . . A 35 U C1' . 30108 1 402 . 1 1 35 35 U C2' C 13 73.121 . . . . . . A 35 U C2' . 30108 1 403 . 1 1 35 35 U C3' C 13 69.321 . . . . . . A 35 U C3' . 30108 1 404 . 1 1 35 35 U C4' C 13 79.358 . . . . . . A 35 U C4' . 30108 1 405 . 1 1 35 35 U C5 C 13 102.260 . . . . . . A 35 U C5 . 30108 1 406 . 1 1 35 35 U C5' C 13 62.382 . . . . . . A 35 U C5' . 30108 1 407 . 1 1 35 35 U C6 C 13 138.554 . . . . . . A 35 U C6 . 30108 1 408 . 1 1 35 35 U N3 N 15 160.718 . . . . . . A 35 U N3 . 30108 1 409 . 1 1 36 36 A H1' H 1 6.171 . . . . . . A 36 A H1' . 30108 1 410 . 1 1 36 36 A H2 H 1 6.699 . . . . . . A 36 A H2 . 30108 1 411 . 1 1 36 36 A H2' H 1 4.509 . . . . . . A 36 A H2' . 30108 1 412 . 1 1 36 36 A H3' H 1 5.077 . . . . . . A 36 A H3' . 30108 1 413 . 1 1 36 36 A H4' H 1 4.431 . . . . . . A 36 A H4' . 30108 1 414 . 1 1 36 36 A H5' H 1 4.565 . . . . . . A 36 A H5' . 30108 1 415 . 1 1 36 36 A H5'' H 1 4.191 . . . . . . A 36 A H5'' . 30108 1 416 . 1 1 36 36 A H8 H 1 8.027 . . . . . . A 36 A H8 . 30108 1 417 . 1 1 36 36 A C1' C 13 91.598 . . . . . . A 36 A C1' . 30108 1 418 . 1 1 36 36 A C2 C 13 151.404 . . . . . . A 36 A C2 . 30108 1 419 . 1 1 36 36 A C2' C 13 73.046 . . . . . . A 36 A C2' . 30108 1 420 . 1 1 36 36 A C3' C 13 68.382 . . . . . . A 36 A C3' . 30108 1 421 . 1 1 36 36 A C4' C 13 79.203 . . . . . . A 36 A C4' . 30108 1 422 . 1 1 36 36 A C5' C 13 61.651 . . . . . . A 36 A C5' . 30108 1 423 . 1 1 36 36 A C8 C 13 138.111 . . . . . . A 36 A C8 . 30108 1 424 . 1 1 37 37 A H1' H 1 5.322 . . . . . . A 37 A H1' . 30108 1 425 . 1 1 37 37 A H2 H 1 7.980 . . . . . . A 37 A H2 . 30108 1 426 . 1 1 37 37 A H2' H 1 4.554 . . . . . . A 37 A H2' . 30108 1 427 . 1 1 37 37 A H3' H 1 4.481 . . . . . . A 37 A H3' . 30108 1 428 . 1 1 37 37 A H4' H 1 4.237 . . . . . . A 37 A H4' . 30108 1 429 . 1 1 37 37 A H5' H 1 4.250 . . . . . . A 37 A H5' . 30108 1 430 . 1 1 37 37 A H5'' H 1 3.950 . . . . . . A 37 A H5'' . 30108 1 431 . 1 1 37 37 A H8 H 1 8.060 . . . . . . A 37 A H8 . 30108 1 432 . 1 1 37 37 A C1' C 13 85.397 . . . . . . A 37 A C1' . 30108 1 433 . 1 1 37 37 A C2 C 13 153.821 . . . . . . A 37 A C2 . 30108 1 434 . 1 1 37 37 A C2' C 13 74.095 . . . . . . A 37 A C2' . 30108 1 435 . 1 1 37 37 A C3' C 13 71.231 . . . . . . A 37 A C3' . 30108 1 436 . 1 1 37 37 A C4' C 13 83.987 . . . . . . A 37 A C4' . 30108 1 437 . 1 1 37 37 A C5' C 13 65.450 . . . . . . A 37 A C5' . 30108 1 438 . 1 1 37 37 A C8 C 13 139.236 . . . . . . A 37 A C8 . 30108 1 439 . 1 1 38 38 U H1' H 1 5.714 . . . . . . A 38 U H1' . 30108 1 440 . 1 1 38 38 U H2' H 1 4.851 . . . . . . A 38 U H2' . 30108 1 441 . 1 1 38 38 U H3 H 1 11.609 . . . . . . A 38 U H3 . 30108 1 442 . 1 1 38 38 U H3' H 1 4.628 . . . . . . A 38 U H3' . 30108 1 443 . 1 1 38 38 U H4' H 1 4.188 . . . . . . A 38 U H4' . 30108 1 444 . 1 1 38 38 U H5 H 1 5.859 . . . . . . A 38 U H5 . 30108 1 445 . 1 1 38 38 U H5' H 1 4.165 . . . . . . A 38 U H5' . 30108 1 446 . 1 1 38 38 U H5'' H 1 4.044 . . . . . . A 38 U H5'' . 30108 1 447 . 1 1 38 38 U H6 H 1 8.259 . . . . . . A 38 U H6 . 30108 1 448 . 1 1 38 38 U C1' C 13 92.718 . . . . . . A 38 U C1' . 30108 1 449 . 1 1 38 38 U C2' C 13 71.620 . . . . . . A 38 U C2' . 30108 1 450 . 1 1 38 38 U C3' C 13 68.779 . . . . . . A 38 U C3' . 30108 1 451 . 1 1 38 38 U C4' C 13 79.921 . . . . . . A 38 U C4' . 30108 1 452 . 1 1 38 38 U C5 C 13 100.338 . . . . . . A 38 U C5 . 30108 1 453 . 1 1 38 38 U C5' C 13 64.222 . . . . . . A 38 U C5' . 30108 1 454 . 1 1 38 38 U C6 C 13 142.065 . . . . . . A 38 U C6 . 30108 1 455 . 1 1 38 38 U N3 N 15 160.537 . . . . . . A 38 U N3 . 30108 1 456 . 1 1 38 38 U HO2' H 1 8.743 . . . . . . A 38 U HO2' . 30108 1 457 . 1 1 39 39 G H1 H 1 10.403 . . . . . . A 39 G H1 . 30108 1 458 . 1 1 39 39 G H1' H 1 5.519 . . . . . . A 39 G H1' . 30108 1 459 . 1 1 39 39 G H2' H 1 4.896 . . . . . . A 39 G H2' . 30108 1 460 . 1 1 39 39 G H3' H 1 4.794 . . . . . . A 39 G H3' . 30108 1 461 . 1 1 39 39 G H4' H 1 4.486 . . . . . . A 39 G H4' . 30108 1 462 . 1 1 39 39 G H5' H 1 4.546 . . . . . . A 39 G H5' . 30108 1 463 . 1 1 39 39 G H5'' H 1 4.289 . . . . . . A 39 G H5'' . 30108 1 464 . 1 1 39 39 G H8 H 1 7.232 . . . . . . A 39 G H8 . 30108 1 465 . 1 1 39 39 G C1' C 13 92.428 . . . . . . A 39 G C1' . 30108 1 466 . 1 1 39 39 G C2' C 13 72.448 . . . . . . A 39 G C2' . 30108 1 467 . 1 1 39 39 G C3' C 13 69.384 . . . . . . A 39 G C3' . 30108 1 468 . 1 1 39 39 G C4' C 13 81.331 . . . . . . A 39 G C4' . 30108 1 469 . 1 1 39 39 G C5' C 13 61.525 . . . . . . A 39 G C5' . 30108 1 470 . 1 1 39 39 G C8 C 13 137.009 . . . . . . A 39 G C8 . 30108 1 471 . 1 1 39 39 G N1 N 15 143.114 . . . . . . A 39 G N1 . 30108 1 472 . 1 1 40 40 A H1' H 1 6.012 . . . . . . A 40 A H1' . 30108 1 473 . 1 1 40 40 A H2 H 1 7.796 . . . . . . A 40 A H2 . 30108 1 474 . 1 1 40 40 A H2' H 1 4.410 . . . . . . A 40 A H2' . 30108 1 475 . 1 1 40 40 A H3' H 1 5.409 . . . . . . A 40 A H3' . 30108 1 476 . 1 1 40 40 A H4' H 1 4.482 . . . . . . A 40 A H4' . 30108 1 477 . 1 1 40 40 A H5' H 1 4.447 . . . . . . A 40 A H5' . 30108 1 478 . 1 1 40 40 A H5'' H 1 4.228 . . . . . . A 40 A H5'' . 30108 1 479 . 1 1 40 40 A H8 H 1 8.189 . . . . . . A 40 A H8 . 30108 1 480 . 1 1 40 40 A C1' C 13 91.069 . . . . . . A 40 A C1' . 30108 1 481 . 1 1 40 40 A C2 C 13 152.562 . . . . . . A 40 A C2 . 30108 1 482 . 1 1 40 40 A C2' C 13 73.627 . . . . . . A 40 A C2' . 30108 1 483 . 1 1 40 40 A C3' C 13 69.096 . . . . . . A 40 A C3' . 30108 1 484 . 1 1 40 40 A C4' C 13 80.517 . . . . . . A 40 A C4' . 30108 1 485 . 1 1 40 40 A C5' C 13 61.657 . . . . . . A 40 A C5' . 30108 1 486 . 1 1 40 40 A C8 C 13 139.196 . . . . . . A 40 A C8 . 30108 1 487 . 1 1 41 41 C H1' H 1 5.502 . . . . . . A 41 C H1' . 30108 1 488 . 1 1 41 41 C H5 H 1 5.898 . . . . . . A 41 C H5 . 30108 1 489 . 1 1 41 41 C H6 H 1 7.376 . . . . . . A 41 C H6 . 30108 1 490 . 1 1 41 41 C C1' C 13 90.742 . . . . . . A 41 C C1' . 30108 1 491 . 1 1 41 41 C C5 C 13 96.796 . . . . . . A 41 C C5 . 30108 1 492 . 1 1 41 41 C C6 C 13 138.010 . . . . . . A 41 C C6 . 30108 1 493 . 1 1 42 42 A H1' H 1 5.880 . . . . . . A 42 A H1' . 30108 1 494 . 1 1 42 42 A H2 H 1 7.397 . . . . . . A 42 A H2 . 30108 1 495 . 1 1 42 42 A H2' H 1 4.172 . . . . . . A 42 A H2' . 30108 1 496 . 1 1 42 42 A H4' H 1 4.407 . . . . . . A 42 A H4' . 30108 1 497 . 1 1 42 42 A H8 H 1 7.667 . . . . . . A 42 A H8 . 30108 1 498 . 1 1 42 42 A C1' C 13 90.266 . . . . . . A 42 A C1' . 30108 1 499 . 1 1 42 42 A C2 C 13 151.473 . . . . . . A 42 A C2 . 30108 1 500 . 1 1 42 42 A C2' C 13 72.933 . . . . . . A 42 A C2' . 30108 1 501 . 1 1 42 42 A C4' C 13 78.741 . . . . . . A 42 A C4' . 30108 1 502 . 1 1 42 42 A C8 C 13 136.505 . . . . . . A 42 A C8 . 30108 1 503 . 1 1 43 43 C H1' H 1 5.249 . . . . . . A 43 C H1' . 30108 1 504 . 1 1 43 43 C H5 H 1 5.235 . . . . . . A 43 C H5 . 30108 1 505 . 1 1 43 43 C H6 H 1 7.222 . . . . . . A 43 C H6 . 30108 1 506 . 1 1 43 43 C C1' C 13 91.009 . . . . . . A 43 C C1' . 30108 1 507 . 1 1 43 43 C C5 C 13 95.517 . . . . . . A 43 C C5 . 30108 1 508 . 1 1 43 43 C C6 C 13 137.665 . . . . . . A 43 C C6 . 30108 1 509 . 1 1 44 44 C H1' H 1 5.366 . . . . . . A 44 C H1' . 30108 1 510 . 1 1 44 44 C H5 H 1 5.376 . . . . . . A 44 C H5 . 30108 1 511 . 1 1 44 44 C H6 H 1 7.458 . . . . . . A 44 C H6 . 30108 1 512 . 1 1 44 44 C C1' C 13 91.910 . . . . . . A 44 C C1' . 30108 1 513 . 1 1 44 44 C C5 C 13 96.038 . . . . . . A 44 C C5 . 30108 1 514 . 1 1 44 44 C C6 C 13 138.789 . . . . . . A 44 C C6 . 30108 1 515 . 1 1 45 45 U H1' H 1 5.391 . . . . . . A 45 U H1' . 30108 1 516 . 1 1 45 45 U H2' H 1 4.291 . . . . . . A 45 U H2' . 30108 1 517 . 1 1 45 45 U H3 H 1 12.333 . . . . . . A 45 U H3 . 30108 1 518 . 1 1 45 45 U H3' H 1 4.425 . . . . . . A 45 U H3' . 30108 1 519 . 1 1 45 45 U H4' H 1 4.375 . . . . . . A 45 U H4' . 30108 1 520 . 1 1 45 45 U H5 H 1 5.423 . . . . . . A 45 U H5 . 30108 1 521 . 1 1 45 45 U H5'' H 1 4.021 . . . . . . A 45 U H5'' . 30108 1 522 . 1 1 45 45 U H6 H 1 7.625 . . . . . . A 45 U H6 . 30108 1 523 . 1 1 45 45 U C1' C 13 91.454 . . . . . . A 45 U C1' . 30108 1 524 . 1 1 45 45 U C2' C 13 72.648 . . . . . . A 45 U C2' . 30108 1 525 . 1 1 45 45 U C3' C 13 69.265 . . . . . . A 45 U C3' . 30108 1 526 . 1 1 45 45 U C4' C 13 79.271 . . . . . . A 45 U C4' . 30108 1 527 . 1 1 45 45 U C5 C 13 102.241 . . . . . . A 45 U C5 . 30108 1 528 . 1 1 45 45 U C5' C 13 62.190 . . . . . . A 45 U C5' . 30108 1 529 . 1 1 45 45 U C6 C 13 138.435 . . . . . . A 45 U C6 . 30108 1 530 . 1 1 45 45 U N3 N 15 162.316 . . . . . . A 45 U N3 . 30108 1 531 . 1 1 46 46 A H1' H 1 5.880 . . . . . . A 46 A H1' . 30108 1 532 . 1 1 46 46 A H2 H 1 6.645 . . . . . . A 46 A H2 . 30108 1 533 . 1 1 46 46 A H2' H 1 4.341 . . . . . . A 46 A H2' . 30108 1 534 . 1 1 46 46 A H4' H 1 4.203 . . . . . . A 46 A H4' . 30108 1 535 . 1 1 46 46 A H5' H 1 4.442 . . . . . . A 46 A H5' . 30108 1 536 . 1 1 46 46 A H5'' H 1 4.088 . . . . . . A 46 A H5'' . 30108 1 537 . 1 1 46 46 A H8 H 1 7.849 . . . . . . A 46 A H8 . 30108 1 538 . 1 1 46 46 A C1' C 13 90.875 . . . . . . A 46 A C1' . 30108 1 539 . 1 1 46 46 A C2 C 13 150.721 . . . . . . A 46 A C2 . 30108 1 540 . 1 1 46 46 A C2' C 13 73.376 . . . . . . A 46 A C2' . 30108 1 541 . 1 1 46 46 A C4' C 13 82.837 . . . . . . A 46 A C4' . 30108 1 542 . 1 1 46 46 A C5' C 13 62.350 . . . . . . A 46 A C5' . 30108 1 543 . 1 1 46 46 A C8 C 13 137.255 . . . . . . A 46 A C8 . 30108 1 544 . 1 1 47 47 C H1' H 1 5.383 . . . . . . A 47 C H1' . 30108 1 545 . 1 1 47 47 C H5 H 1 5.340 . . . . . . A 47 C H5 . 30108 1 546 . 1 1 47 47 C H6 H 1 7.308 . . . . . . A 47 C H6 . 30108 1 547 . 1 1 47 47 C C1' C 13 90.145 . . . . . . A 47 C C1' . 30108 1 548 . 1 1 47 47 C C5 C 13 95.501 . . . . . . A 47 C C5 . 30108 1 549 . 1 1 47 47 C C6 C 13 139.143 . . . . . . A 47 C C6 . 30108 1 stop_ save_