data_17188 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17188 _Entry.Title ; Solution structure of P2a-J2a/b-P2b of human telomerase RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-13 _Entry.Accession_date 2010-09-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Qi Zhang . . . 17188 2 Nak-Kyoon Kim . . . 17188 3 Robert Peterson . D. . 17188 4 Zhonghua Wang . . . 17188 5 Juli Feigon . . . 17188 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17188 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID hTR . 17188 'human telomerase RNA' . 17188 J2ab . 17188 P2a . 17188 P2b . 17188 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17188 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 17188 '15N chemical shifts' 61 17188 '1H chemical shifts' 309 17188 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-11-09 2010-09-13 update BMRB 'update entry citation' 17188 1 . . 2010-10-26 2010-09-13 original author 'original release' 17188 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L3E 'BMRB Entry Tracking System' 17188 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17188 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20966348 _Citation.Full_citation . _Citation.Title 'Inaugural Article: Structurally conserved five nucleotide bulge determines the overall topology of the core domain of human telomerase RNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 107 _Citation.Journal_issue 44 _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 18761 _Citation.Page_last 18768 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qi Zhang . . . 17188 1 2 Nak-Kyoon Kim . . . 17188 1 3 Robert Peterson . D. . 17188 1 4 Zhonghua Wang . . . 17188 1 5 Juli Feigon . . . 17188 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17188 _Assembly.ID 1 _Assembly.Name 35-MER _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (35-MER)' 1 $RNA_35-MER A . yes native no no . . . 17188 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_35-MER _Entity.Sf_category entity _Entity.Sf_framecode RNA_35-MER _Entity.Entry_ID 17188 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_35-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 ; GGCUUUUGCUCCCCGUGCUU CGGCACGGAAAAGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11164.710 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 17188 1 2 . G . 17188 1 3 . C . 17188 1 4 . U . 17188 1 5 . U . 17188 1 6 . U . 17188 1 7 . U . 17188 1 8 . G . 17188 1 9 . C . 17188 1 10 . U . 17188 1 11 . C . 17188 1 12 . C . 17188 1 13 . C . 17188 1 14 . C . 17188 1 15 . G . 17188 1 16 . U . 17188 1 17 . G . 17188 1 18 . C . 17188 1 19 . U . 17188 1 20 . U . 17188 1 21 . C . 17188 1 22 . G . 17188 1 23 . G . 17188 1 24 . C . 17188 1 25 . A . 17188 1 26 . C . 17188 1 27 . G . 17188 1 28 . G . 17188 1 29 . A . 17188 1 30 . A . 17188 1 31 . A . 17188 1 32 . A . 17188 1 33 . G . 17188 1 34 . C . 17188 1 35 . C . 17188 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 17188 1 . G 2 2 17188 1 . C 3 3 17188 1 . U 4 4 17188 1 . U 5 5 17188 1 . U 6 6 17188 1 . U 7 7 17188 1 . G 8 8 17188 1 . C 9 9 17188 1 . U 10 10 17188 1 . C 11 11 17188 1 . C 12 12 17188 1 . C 13 13 17188 1 . C 14 14 17188 1 . G 15 15 17188 1 . U 16 16 17188 1 . G 17 17 17188 1 . C 18 18 17188 1 . U 19 19 17188 1 . U 20 20 17188 1 . C 21 21 17188 1 . G 22 22 17188 1 . G 23 23 17188 1 . C 24 24 17188 1 . A 25 25 17188 1 . C 26 26 17188 1 . G 27 27 17188 1 . G 28 28 17188 1 . A 29 29 17188 1 . A 30 30 17188 1 . A 31 31 17188 1 . A 32 32 17188 1 . G 33 33 17188 1 . C 34 34 17188 1 . C 35 35 17188 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 17188 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_35-MER . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17188 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 17188 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_35-MER . 'reverse transcriptase' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17188 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_1_Un_H2O _Sample.Sf_category sample _Sample.Sf_framecode 1_Un_H2O _Sample.Entry_ID 17188 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA_35-MER 'natural abundance' . . 1 $RNA_35-MER . . 1.0 . . mM . . . . 17188 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17188 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17188 1 stop_ save_ save_2_F_H2O _Sample.Sf_category sample _Sample.Sf_framecode 2_F_H2O _Sample.Entry_ID 17188 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'P2ab RNA (35-MER)' '[U-98% 13C; U-98% 15N]' . . 1 $RNA_35-MER . . 1.0 . . mM . . . . 17188 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17188 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17188 2 stop_ save_ save_3_A_D2O _Sample.Sf_category sample _Sample.Sf_framecode 3_A_D2O _Sample.Entry_ID 17188 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'P2ab RNA (35-MER)' '[U-13C; U-15N]-Ade' . . 1 $RNA_35-MER . . 1.0 . . mM . . . . 17188 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17188 3 stop_ save_ save_4_C_D2O _Sample.Sf_category sample _Sample.Sf_framecode 4_C_D2O _Sample.Entry_ID 17188 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'P2ab RNA (35-MER)' '[U-13C; U-15N]-Cyt' . . 1 $RNA_35-MER . . 1.0 . . mM . . . . 17188 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17188 4 stop_ save_ save_5_G_D2O _Sample.Sf_category sample _Sample.Sf_framecode 5_G_D2O _Sample.Entry_ID 17188 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'P2ab RNA (35-MER)' '[U-13C; U-15N]-Gua' . . 1 $RNA_35-MER . . 1.0 . . mM . . . . 17188 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17188 5 stop_ save_ save_6_U_D2O _Sample.Sf_category sample _Sample.Sf_framecode 6_U_D2O _Sample.Entry_ID 17188 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'P2ab RNA (35-MER)' '[U-13C; U-15N]-Ura' . . 1 $RNA_35-MER . . 1.0 . . mM . . . . 17188 6 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17188 6 stop_ save_ save_7_Un_D2O _Sample.Sf_category sample _Sample.Sf_framecode 7_Un_D2O _Sample.Entry_ID 17188 _Sample.ID 7 _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 'P2ab RNA (35-MER)' 'natural abundance' . . 1 $RNA_35-MER . . 1.0 . . mM . . . . 17188 7 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17188 7 stop_ save_ save_8_F_D2O _Sample.Sf_category sample _Sample.Sf_framecode 8_F_D2O _Sample.Entry_ID 17188 _Sample.ID 8 _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 'P2ab RNA (35-MER)' '[U-98% 13C; U-98% 15N]' . . 1 $RNA_35-MER . . 1.0 . . mM . . . . 17188 8 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17188 8 stop_ save_ ####################### # Sample conditions # ####################### save_10C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 10C _Sample_condition_list.Entry_ID 17188 _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' 100 . mM 17188 1 pH 6.4 . pH 17188 1 pressure 1 . atm 17188 1 temperature 283.15 . K 17188 1 stop_ save_ save_20C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 20C _Sample_condition_list.Entry_ID 17188 _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' 100 . mM 17188 2 pH 6.4 . pH 17188 2 pressure 1 . atm 17188 2 temperature 293.15 . K 17188 2 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17188 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17188 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 17188 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17188 _Software.ID 2 _Software.Name NMRPipe _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' . . 17188 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17188 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17188 _Software.ID 3 _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' . . 17188 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17188 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17188 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.110. _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17188 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17188 4 'data analysis' 17188 4 processing 17188 4 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17188 _Software.ID 5 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17188 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17188 5 processing 17188 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17188 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17188 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17188 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17188 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17188 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 17188 1 2 spectrometer_2 Bruker DRX . 500 . . . 17188 1 3 spectrometer_3 Bruker DRX . 600 . . . 17188 1 4 spectrometer_4 Bruker Avance . 800 . . . 17188 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 17188 _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 11echo NOESY' no . . . . . . . . . . 1 $1_Un_H2O isotropic . . 1 $10C . . . . . . . . . . . . . . . . . . . . . 17188 1 2 '2D Watergate NOESY' no . . . . . . . . . . 1 $1_Un_H2O isotropic . . 1 $10C . . . . . . . . . . . . . . . . . . . . . 17188 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 7 $7_Un_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 7 $7_Un_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $2_F_H2O isotropic . . 1 $10C . . . . . . . . . . . . . . . . . . . . . 17188 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $2_F_H2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $2_F_H2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 8 '2D 13C Filtered/Edited NOESY' no . . . . . . . . . . 3 $3_A_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 9 '2D 13C Filtered/Edited NOESY' no . . . . . . . . . . 4 $4_C_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 10 '2D 13C Filtered/Edited NOESY' no . . . . . . . . . . 5 $5_G_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 11 '2D 13C Filtered/Edited NOESY' no . . . . . . . . . . 6 $6_U_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 12 '2D HCCH-COSY' no . . . . . . . . . . 3 $3_A_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 13 '2D HCCH-COSY' no . . . . . . . . . . 4 $4_C_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 14 '2D HCCH-COSY' no . . . . . . . . . . 5 $5_G_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 15 '2D HCCH-COSY' no . . . . . . . . . . 6 $6_U_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $3_A_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $4_C_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $5_G_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 19 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $6_U_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 20 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $3_A_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 21 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $4_C_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 22 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $5_G_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 23 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $6_U_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 24 '2D 31P Spin echo difference CT-HSQC' no . . . . . . . . . . 3 $3_A_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 25 '2D 31P Spin echo difference CT-HSQC' no . . . . . . . . . . 4 $4_C_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 26 '2D 31P Spin echo difference CT-HSQC' no . . . . . . . . . . 5 $5_G_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 27 '2D 31P Spin echo difference CT-HSQC' no . . . . . . . . . . 6 $6_U_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 28 '2D 31P Spin echo difference CT-HCCH correlation' no . . . . . . . . . . 3 $3_A_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 29 '2D 31P Spin echo difference CT-HCCH correlation' no . . . . . . . . . . 4 $4_C_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 30 '2D 31P Spin echo difference CT-HCCH correlation' no . . . . . . . . . . 5 $5_G_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 31 '2D 31P Spin echo difference CT-HCCH correlation' no . . . . . . . . . . 6 $6_U_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 32 '2D 1H-13C HSQC' no . . . . . . . . . . 8 $8_F_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 33 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $2_F_H2O anisotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 34 '2D 1H-13C S3CT-HSQC' no . . . . . . . . . . 2 $2_F_H2O anisotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 35 '2D 1H-13C S3CT-HSQC' no . . . . . . . . . . 2 $2_F_H2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 36 '2D HNNOESY' no . . . . . . . . . . 2 $2_F_H2O isotropic . . 1 $10C . . . . . . . . . . . . . . . . . . . . . 17188 1 37 '3D HCNCH' no . . . . . . . . . . 3 $3_A_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 38 '3D HCNCH' no . . . . . . . . . . 4 $4_C_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 39 '3D HCNCH' no . . . . . . . . . . 5 $5_G_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 40 '3D HCNCH' no . . . . . . . . . . 6 $6_U_D2O isotropic . . 2 $20C . . . . . . . . . . . . . . . . . . . . . 17188 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ 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 17188 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17188 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17188 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17188 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17188 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $20C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 3 '2D 1H-1H NOESY' . . . 17188 1 8 '2D 13C Filtered/Edited NOESY' . . . 17188 1 9 '2D 13C Filtered/Edited NOESY' . . . 17188 1 10 '2D 13C Filtered/Edited NOESY' . . . 17188 1 11 '2D 13C Filtered/Edited NOESY' . . . 17188 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 13.250 0.020 . 1 . . . . 1 G H1 . 17188 1 2 . 1 1 1 1 G H1' H 1 5.871 0.020 . 1 . . . . 1 G H1' . 17188 1 3 . 1 1 1 1 G H2' H 1 5.002 0.020 . 1 . . . . 1 G H2' . 17188 1 4 . 1 1 1 1 G H3' H 1 4.787 0.020 . 1 . . . . 1 G H3' . 17188 1 5 . 1 1 1 1 G H4' H 1 4.618 0.020 . 1 . . . . 1 G H4' . 17188 1 6 . 1 1 1 1 G H5' H 1 4.475 0.020 . 1 . . . . 1 G H5' . 17188 1 7 . 1 1 1 1 G H5'' H 1 4.336 0.020 . 1 . . . . 1 G H5'' . 17188 1 8 . 1 1 1 1 G H8 H 1 8.200 0.020 . 1 . . . . 1 G H8 . 17188 1 9 . 1 1 1 1 G C1' C 13 91.752 0.100 . 1 . . . . 1 G C1' . 17188 1 10 . 1 1 1 1 G C2' C 13 74.979 0.100 . 1 . . . . 1 G C2' . 17188 1 11 . 1 1 1 1 G C3' C 13 74.920 0.100 . 1 . . . . 1 G C3' . 17188 1 12 . 1 1 1 1 G C4' C 13 83.575 0.100 . 1 . . . . 1 G C4' . 17188 1 13 . 1 1 1 1 G C5' C 13 67.373 0.100 . 1 . . . . 1 G C5' . 17188 1 14 . 1 1 1 1 G C8 C 13 139.685 0.100 . 1 . . . . 1 G C8 . 17188 1 15 . 1 1 1 1 G N1 N 15 148.697 0.100 . 1 . . . . 1 G N1 . 17188 1 16 . 1 1 1 1 G N9 N 15 168.447 0.100 . 1 . . . . 1 G N9 . 17188 1 17 . 1 1 2 2 G H1 H 1 13.454 0.020 . 1 . . . . 2 G H1 . 17188 1 18 . 1 1 2 2 G H1' H 1 5.978 0.020 . 1 . . . . 2 G H1' . 17188 1 19 . 1 1 2 2 G H2' H 1 4.665 0.020 . 1 . . . . 2 G H2' . 17188 1 20 . 1 1 2 2 G H3' H 1 4.633 0.020 . 1 . . . . 2 G H3' . 17188 1 21 . 1 1 2 2 G H4' H 1 4.612 0.020 . 1 . . . . 2 G H4' . 17188 1 22 . 1 1 2 2 G H5' H 1 4.575 0.020 . 1 . . . . 2 G H5' . 17188 1 23 . 1 1 2 2 G H5'' H 1 4.337 0.020 . 1 . . . . 2 G H5'' . 17188 1 24 . 1 1 2 2 G H8 H 1 7.708 0.020 . 1 . . . . 2 G H8 . 17188 1 25 . 1 1 2 2 G C1' C 13 93.460 0.100 . 1 . . . . 2 G C1' . 17188 1 26 . 1 1 2 2 G C2' C 13 75.339 0.100 . 1 . . . . 2 G C2' . 17188 1 27 . 1 1 2 2 G C3' C 13 73.162 0.100 . 1 . . . . 2 G C3' . 17188 1 28 . 1 1 2 2 G C4' C 13 82.606 0.100 . 1 . . . . 2 G C4' . 17188 1 29 . 1 1 2 2 G C5' C 13 66.216 0.100 . 1 . . . . 2 G C5' . 17188 1 30 . 1 1 2 2 G C8 C 13 137.513 0.100 . 1 . . . . 2 G C8 . 17188 1 31 . 1 1 2 2 G N1 N 15 148.668 0.100 . 1 . . . . 2 G N1 . 17188 1 32 . 1 1 2 2 G N9 N 15 169.341 0.100 . 1 . . . . 2 G N9 . 17188 1 33 . 1 1 3 3 C H1' H 1 5.613 0.020 . 1 . . . . 3 C H1' . 17188 1 34 . 1 1 3 3 C H2' H 1 4.512 0.020 . 1 . . . . 3 C H2' . 17188 1 35 . 1 1 3 3 C H3' H 1 4.504 0.020 . 1 . . . . 3 C H3' . 17188 1 36 . 1 1 3 3 C H4' H 1 4.504 0.020 . 1 . . . . 3 C H4' . 17188 1 37 . 1 1 3 3 C H5 H 1 5.336 0.020 . 1 . . . . 3 C H5 . 17188 1 38 . 1 1 3 3 C H5' H 1 4.631 0.020 . 1 . . . . 3 C H5' . 17188 1 39 . 1 1 3 3 C H5'' H 1 4.157 0.020 . 1 . . . . 3 C H5'' . 17188 1 40 . 1 1 3 3 C H6 H 1 7.751 0.020 . 1 . . . . 3 C H6 . 17188 1 41 . 1 1 3 3 C H41 H 1 8.649 0.020 . 1 . . . . 3 C H41 . 17188 1 42 . 1 1 3 3 C H42 H 1 7.006 0.020 . 1 . . . . 3 C H42 . 17188 1 43 . 1 1 3 3 C C1' C 13 94.613 0.100 . 1 . . . . 3 C C1' . 17188 1 44 . 1 1 3 3 C C2' C 13 75.493 0.100 . 1 . . . . 3 C C2' . 17188 1 45 . 1 1 3 3 C C3' C 13 72.331 0.100 . 1 . . . . 3 C C3' . 17188 1 46 . 1 1 3 3 C C4' C 13 81.975 0.100 . 1 . . . . 3 C C4' . 17188 1 47 . 1 1 3 3 C C5 C 13 97.737 0.100 . 1 . . . . 3 C C5 . 17188 1 48 . 1 1 3 3 C C5' C 13 64.634 0.100 . 1 . . . . 3 C C5' . 17188 1 49 . 1 1 3 3 C C6 C 13 141.592 0.100 . 1 . . . . 3 C C6 . 17188 1 50 . 1 1 3 3 C N1 N 15 151.067 0.100 . 1 . . . . 3 C N1 . 17188 1 51 . 1 1 3 3 C N4 N 15 99.006 0.100 . 1 . . . . 3 C N4 . 17188 1 52 . 1 1 4 4 U H1' H 1 5.621 0.020 . 1 . . . . 4 U H1' . 17188 1 53 . 1 1 4 4 U H2' H 1 4.592 0.020 . 1 . . . . 4 U H2' . 17188 1 54 . 1 1 4 4 U H3 H 1 14.023 0.020 . 1 . . . . 4 U H3 . 17188 1 55 . 1 1 4 4 U H3' H 1 4.537 0.020 . 1 . . . . 4 U H3' . 17188 1 56 . 1 1 4 4 U H4' H 1 4.501 0.020 . 1 . . . . 4 U H4' . 17188 1 57 . 1 1 4 4 U H5 H 1 5.515 0.020 . 1 . . . . 4 U H5 . 17188 1 58 . 1 1 4 4 U H5' H 1 4.622 0.020 . 1 . . . . 4 U H5' . 17188 1 59 . 1 1 4 4 U H5'' H 1 4.150 0.020 . 1 . . . . 4 U H5'' . 17188 1 60 . 1 1 4 4 U H6 H 1 7.921 0.020 . 1 . . . . 4 U H6 . 17188 1 61 . 1 1 4 4 U C1' C 13 94.562 0.100 . 1 . . . . 4 U C1' . 17188 1 62 . 1 1 4 4 U C2' C 13 75.229 0.100 . 1 . . . . 4 U C2' . 17188 1 63 . 1 1 4 4 U C3' C 13 72.597 0.100 . 1 . . . . 4 U C3' . 17188 1 64 . 1 1 4 4 U C4' C 13 82.234 0.100 . 1 . . . . 4 U C4' . 17188 1 65 . 1 1 4 4 U C5 C 13 104.094 0.100 . 1 . . . . 4 U C5 . 17188 1 66 . 1 1 4 4 U C5' C 13 64.825 0.100 . 1 . . . . 4 U C5' . 17188 1 67 . 1 1 4 4 U C6 C 13 142.587 0.100 . 1 . . . . 4 U C6 . 17188 1 68 . 1 1 4 4 U N1 N 15 154.289 0.100 . 1 . . . . 4 U N1 . 17188 1 69 . 1 1 4 4 U N3 N 15 162.355 0.100 . 1 . . . . 4 U N3 . 17188 1 70 . 1 1 5 5 U H1' H 1 5.654 0.020 . 1 . . . . 5 U H1' . 17188 1 71 . 1 1 5 5 U H2' H 1 4.444 0.020 . 1 . . . . 5 U H2' . 17188 1 72 . 1 1 5 5 U H3 H 1 13.714 0.020 . 1 . . . . 5 U H3 . 17188 1 73 . 1 1 5 5 U H3' H 1 4.537 0.020 . 1 . . . . 5 U H3' . 17188 1 74 . 1 1 5 5 U H4' H 1 4.512 0.020 . 1 . . . . 5 U H4' . 17188 1 75 . 1 1 5 5 U H5 H 1 5.651 0.020 . 1 . . . . 5 U H5 . 17188 1 76 . 1 1 5 5 U H5' H 1 4.592 0.020 . 1 . . . . 5 U H5' . 17188 1 77 . 1 1 5 5 U H5'' H 1 4.162 0.020 . 1 . . . . 5 U H5'' . 17188 1 78 . 1 1 5 5 U H6 H 1 8.034 0.020 . 1 . . . . 5 U H6 . 17188 1 79 . 1 1 5 5 U C1' C 13 94.385 0.100 . 1 . . . . 5 U C1' . 17188 1 80 . 1 1 5 5 U C2' C 13 75.344 0.100 . 1 . . . . 5 U C2' . 17188 1 81 . 1 1 5 5 U C3' C 13 72.597 0.100 . 1 . . . . 5 U C3' . 17188 1 82 . 1 1 5 5 U C4' C 13 82.238 0.100 . 1 . . . . 5 U C4' . 17188 1 83 . 1 1 5 5 U C5 C 13 103.937 0.100 . 1 . . . . 5 U C5 . 17188 1 84 . 1 1 5 5 U C5' C 13 64.826 0.100 . 1 . . . . 5 U C5' . 17188 1 85 . 1 1 5 5 U C6 C 13 143.040 0.100 . 1 . . . . 5 U C6 . 17188 1 86 . 1 1 5 5 U N1 N 15 154.534 0.100 . 1 . . . . 5 U N1 . 17188 1 87 . 1 1 5 5 U N3 N 15 162.741 0.100 . 1 . . . . 5 U N3 . 17188 1 88 . 1 1 6 6 U H1' H 1 5.647 0.020 . 1 . . . . 6 U H1' . 17188 1 89 . 1 1 6 6 U H2' H 1 4.431 0.020 . 1 . . . . 6 U H2' . 17188 1 90 . 1 1 6 6 U H3 H 1 13.542 0.020 . 1 . . . . 6 U H3 . 17188 1 91 . 1 1 6 6 U H3' H 1 4.543 0.020 . 1 . . . . 6 U H3' . 17188 1 92 . 1 1 6 6 U H4' H 1 4.448 0.020 . 1 . . . . 6 U H4' . 17188 1 93 . 1 1 6 6 U H5 H 1 5.598 0.020 . 1 . . . . 6 U H5 . 17188 1 94 . 1 1 6 6 U H5' H 1 4.595 0.020 . 1 . . . . 6 U H5' . 17188 1 95 . 1 1 6 6 U H5'' H 1 4.141 0.020 . 1 . . . . 6 U H5'' . 17188 1 96 . 1 1 6 6 U H6 H 1 7.988 0.020 . 1 . . . . 6 U H6 . 17188 1 97 . 1 1 6 6 U C1' C 13 93.963 0.100 . 1 . . . . 6 U C1' . 17188 1 98 . 1 1 6 6 U C2' C 13 75.433 0.100 . 1 . . . . 6 U C2' . 17188 1 99 . 1 1 6 6 U C3' C 13 72.597 0.100 . 1 . . . . 6 U C3' . 17188 1 100 . 1 1 6 6 U C4' C 13 82.223 0.100 . 1 . . . . 6 U C4' . 17188 1 101 . 1 1 6 6 U C5 C 13 103.852 0.100 . 1 . . . . 6 U C5 . 17188 1 102 . 1 1 6 6 U C5' C 13 64.694 0.100 . 1 . . . . 6 U C5' . 17188 1 103 . 1 1 6 6 U C6 C 13 143.048 0.100 . 1 . . . . 6 U C6 . 17188 1 104 . 1 1 6 6 U N1 N 15 154.644 0.100 . 1 . . . . 6 U N1 . 17188 1 105 . 1 1 6 6 U N3 N 15 162.462 0.100 . 1 . . . . 6 U N3 . 17188 1 106 . 1 1 7 7 U H1' H 1 5.556 0.020 . 1 . . . . 7 U H1' . 17188 1 107 . 1 1 7 7 U H2' H 1 4.542 0.020 . 1 . . . . 7 U H2' . 17188 1 108 . 1 1 7 7 U H3' H 1 4.456 0.020 . 1 . . . . 7 U H3' . 17188 1 109 . 1 1 7 7 U H4' H 1 4.473 0.020 . 1 . . . . 7 U H4' . 17188 1 110 . 1 1 7 7 U H5 H 1 5.565 0.020 . 1 . . . . 7 U H5 . 17188 1 111 . 1 1 7 7 U H5' H 1 4.492 0.020 . 1 . . . . 7 U H5' . 17188 1 112 . 1 1 7 7 U H5'' H 1 4.124 0.020 . 1 . . . . 7 U H5'' . 17188 1 113 . 1 1 7 7 U H6 H 1 7.834 0.020 . 1 . . . . 7 U H6 . 17188 1 114 . 1 1 7 7 U C1' C 13 93.718 0.100 . 1 . . . . 7 U C1' . 17188 1 115 . 1 1 7 7 U C2' C 13 75.463 0.100 . 1 . . . . 7 U C2' . 17188 1 116 . 1 1 7 7 U C3' C 13 72.786 0.100 . 1 . . . . 7 U C3' . 17188 1 117 . 1 1 7 7 U C4' C 13 82.229 0.100 . 1 . . . . 7 U C4' . 17188 1 118 . 1 1 7 7 U C5 C 13 104.362 0.100 . 1 . . . . 7 U C5 . 17188 1 119 . 1 1 7 7 U C5' C 13 65.159 0.100 . 1 . . . . 7 U C5' . 17188 1 120 . 1 1 7 7 U C6 C 13 142.050 0.100 . 1 . . . . 7 U C6 . 17188 1 121 . 1 1 7 7 U N1 N 15 153.608 0.100 . 1 . . . . 7 U N1 . 17188 1 122 . 1 1 7 7 U N3 N 15 161.972 0.100 . 1 . . . . 7 U N3 . 17188 1 123 . 1 1 8 8 G H1' H 1 5.353 0.020 . 1 . . . . 8 G H1' . 17188 1 124 . 1 1 8 8 G H2' H 1 4.263 0.020 . 1 . . . . 8 G H2' . 17188 1 125 . 1 1 8 8 G H3' H 1 4.331 0.020 . 1 . . . . 8 G H3' . 17188 1 126 . 1 1 8 8 G H4' H 1 4.371 0.020 . 1 . . . . 8 G H4' . 17188 1 127 . 1 1 8 8 G H5' H 1 4.385 0.020 . 1 . . . . 8 G H5' . 17188 1 128 . 1 1 8 8 G H5'' H 1 4.034 0.020 . 1 . . . . 8 G H5'' . 17188 1 129 . 1 1 8 8 G H8 H 1 7.517 0.020 . 1 . . . . 8 G H8 . 17188 1 130 . 1 1 8 8 G C1' C 13 93.393 0.100 . 1 . . . . 8 G C1' . 17188 1 131 . 1 1 8 8 G C2' C 13 75.057 0.100 . 1 . . . . 8 G C2' . 17188 1 132 . 1 1 8 8 G C3' C 13 73.315 0.100 . 1 . . . . 8 G C3' . 17188 1 133 . 1 1 8 8 G C4' C 13 82.784 0.100 . 1 . . . . 8 G C4' . 17188 1 134 . 1 1 8 8 G C5' C 13 65.814 0.100 . 1 . . . . 8 G C5' . 17188 1 135 . 1 1 8 8 G C8 C 13 137.088 0.100 . 1 . . . . 8 G C8 . 17188 1 136 . 1 1 8 8 G N9 N 15 169.023 0.100 . 1 . . . . 8 G N9 . 17188 1 137 . 1 1 9 9 C H1' H 1 5.493 0.020 . 1 . . . . 9 C H1' . 17188 1 138 . 1 1 9 9 C H2' H 1 4.035 0.020 . 1 . . . . 9 C H2' . 17188 1 139 . 1 1 9 9 C H3' H 1 4.357 0.020 . 1 . . . . 9 C H3' . 17188 1 140 . 1 1 9 9 C H4' H 1 4.180 0.020 . 1 . . . . 9 C H4' . 17188 1 141 . 1 1 9 9 C H5 H 1 5.288 0.020 . 1 . . . . 9 C H5 . 17188 1 142 . 1 1 9 9 C H5' H 1 4.261 0.020 . 1 . . . . 9 C H5' . 17188 1 143 . 1 1 9 9 C H5'' H 1 3.924 0.020 . 1 . . . . 9 C H5'' . 17188 1 144 . 1 1 9 9 C H6 H 1 7.475 0.020 . 1 . . . . 9 C H6 . 17188 1 145 . 1 1 9 9 C C1' C 13 92.951 0.100 . 1 . . . . 9 C C1' . 17188 1 146 . 1 1 9 9 C C2' C 13 76.099 0.100 . 1 . . . . 9 C C2' . 17188 1 147 . 1 1 9 9 C C3' C 13 74.156 0.100 . 1 . . . . 9 C C3' . 17188 1 148 . 1 1 9 9 C C4' C 13 83.233 0.100 . 1 . . . . 9 C C4' . 17188 1 149 . 1 1 9 9 C C5 C 13 97.662 0.100 . 1 . . . . 9 C C5 . 17188 1 150 . 1 1 9 9 C C5' C 13 65.413 0.100 . 1 . . . . 9 C C5' . 17188 1 151 . 1 1 9 9 C C6 C 13 142.341 0.100 . 1 . . . . 9 C C6 . 17188 1 152 . 1 1 9 9 C N1 N 15 151.941 0.100 . 1 . . . . 9 C N1 . 17188 1 153 . 1 1 10 10 U H1' H 1 5.796 0.020 . 1 . . . . 10 U H1' . 17188 1 154 . 1 1 10 10 U H2' H 1 4.350 0.020 . 1 . . . . 10 U H2' . 17188 1 155 . 1 1 10 10 U H3' H 1 4.485 0.020 . 1 . . . . 10 U H3' . 17188 1 156 . 1 1 10 10 U H4' H 1 4.328 0.020 . 1 . . . . 10 U H4' . 17188 1 157 . 1 1 10 10 U H5 H 1 5.653 0.020 . 1 . . . . 10 U H5 . 17188 1 158 . 1 1 10 10 U H5' H 1 4.127 0.020 . 1 . . . . 10 U H5' . 17188 1 159 . 1 1 10 10 U H5'' H 1 3.982 0.020 . 1 . . . . 10 U H5'' . 17188 1 160 . 1 1 10 10 U H6 H 1 7.700 0.020 . 1 . . . . 10 U H6 . 17188 1 161 . 1 1 10 10 U C1' C 13 91.680 0.100 . 1 . . . . 10 U C1' . 17188 1 162 . 1 1 10 10 U C2' C 13 75.407 0.100 . 1 . . . . 10 U C2' . 17188 1 163 . 1 1 10 10 U C3' C 13 75.794 0.100 . 1 . . . . 10 U C3' . 17188 1 164 . 1 1 10 10 U C4' C 13 84.522 0.100 . 1 . . . . 10 U C4' . 17188 1 165 . 1 1 10 10 U C5 C 13 105.467 0.100 . 1 . . . . 10 U C5 . 17188 1 166 . 1 1 10 10 U C5' C 13 67.010 0.100 . 1 . . . . 10 U C5' . 17188 1 167 . 1 1 10 10 U C6 C 13 143.673 0.100 . 1 . . . . 10 U C6 . 17188 1 168 . 1 1 10 10 U N1 N 15 152.386 0.100 . 1 . . . . 10 U N1 . 17188 1 169 . 1 1 11 11 C H1' H 1 5.758 0.020 . 1 . . . . 11 C H1' . 17188 1 170 . 1 1 11 11 C H2' H 1 4.487 0.020 . 1 . . . . 11 C H2' . 17188 1 171 . 1 1 11 11 C H3' H 1 4.504 0.020 . 1 . . . . 11 C H3' . 17188 1 172 . 1 1 11 11 C H4' H 1 4.407 0.020 . 1 . . . . 11 C H4' . 17188 1 173 . 1 1 11 11 C H5 H 1 5.842 0.020 . 1 . . . . 11 C H5 . 17188 1 174 . 1 1 11 11 C H5' H 1 4.325 0.020 . 1 . . . . 11 C H5' . 17188 1 175 . 1 1 11 11 C H5'' H 1 4.138 0.020 . 1 . . . . 11 C H5'' . 17188 1 176 . 1 1 11 11 C H6 H 1 7.820 0.020 . 1 . . . . 11 C H6 . 17188 1 177 . 1 1 11 11 C C1' C 13 93.232 0.100 . 1 . . . . 11 C C1' . 17188 1 178 . 1 1 11 11 C C2' C 13 75.886 0.100 . 1 . . . . 11 C C2' . 17188 1 179 . 1 1 11 11 C C3' C 13 74.585 0.100 . 1 . . . . 11 C C3' . 17188 1 180 . 1 1 11 11 C C4' C 13 83.530 0.100 . 1 . . . . 11 C C4' . 17188 1 181 . 1 1 11 11 C C5 C 13 98.812 0.100 . 1 . . . . 11 C C5 . 17188 1 182 . 1 1 11 11 C C5' C 13 66.335 0.100 . 1 . . . . 11 C C5' . 17188 1 183 . 1 1 11 11 C C6 C 13 143.227 0.100 . 1 . . . . 11 C C6 . 17188 1 184 . 1 1 11 11 C N1 N 15 151.935 0.100 . 1 . . . . 11 C N1 . 17188 1 185 . 1 1 12 12 C H1' H 1 5.741 0.020 . 1 . . . . 12 C H1' . 17188 1 186 . 1 1 12 12 C H2' H 1 4.567 0.020 . 1 . . . . 12 C H2' . 17188 1 187 . 1 1 12 12 C H3' H 1 4.454 0.020 . 1 . . . . 12 C H3' . 17188 1 188 . 1 1 12 12 C H4' H 1 4.500 0.020 . 1 . . . . 12 C H4' . 17188 1 189 . 1 1 12 12 C H5 H 1 5.907 0.020 . 1 . . . . 12 C H5 . 17188 1 190 . 1 1 12 12 C H5' H 1 4.430 0.020 . 1 . . . . 12 C H5' . 17188 1 191 . 1 1 12 12 C H5'' H 1 4.193 0.020 . 1 . . . . 12 C H5'' . 17188 1 192 . 1 1 12 12 C H6 H 1 7.882 0.020 . 1 . . . . 12 C H6 . 17188 1 193 . 1 1 12 12 C C1' C 13 93.654 0.100 . 1 . . . . 12 C C1' . 17188 1 194 . 1 1 12 12 C C2' C 13 75.807 0.100 . 1 . . . . 12 C C2' . 17188 1 195 . 1 1 12 12 C C3' C 13 73.871 0.100 . 1 . . . . 12 C C3' . 17188 1 196 . 1 1 12 12 C C4' C 13 83.020 0.100 . 1 . . . . 12 C C4' . 17188 1 197 . 1 1 12 12 C C5 C 13 99.157 0.100 . 1 . . . . 12 C C5 . 17188 1 198 . 1 1 12 12 C C5' C 13 65.859 0.100 . 1 . . . . 12 C C5' . 17188 1 199 . 1 1 12 12 C C6 C 13 142.533 0.100 . 1 . . . . 12 C C6 . 17188 1 200 . 1 1 12 12 C N1 N 15 152.285 0.100 . 1 . . . . 12 C N1 . 17188 1 201 . 1 1 13 13 C H1' H 1 5.611 0.020 . 1 . . . . 13 C H1' . 17188 1 202 . 1 1 13 13 C H2' H 1 4.533 0.020 . 1 . . . . 13 C H2' . 17188 1 203 . 1 1 13 13 C H3' H 1 4.635 0.020 . 1 . . . . 13 C H3' . 17188 1 204 . 1 1 13 13 C H4' H 1 4.496 0.020 . 1 . . . . 13 C H4' . 17188 1 205 . 1 1 13 13 C H5 H 1 6.025 0.020 . 1 . . . . 13 C H5 . 17188 1 206 . 1 1 13 13 C H5' H 1 4.509 0.020 . 1 . . . . 13 C H5' . 17188 1 207 . 1 1 13 13 C H5'' H 1 4.201 0.020 . 1 . . . . 13 C H5'' . 17188 1 208 . 1 1 13 13 C H6 H 1 8.096 0.020 . 1 . . . . 13 C H6 . 17188 1 209 . 1 1 13 13 C H41 H 1 8.627 0.020 . 1 . . . . 13 C H41 . 17188 1 210 . 1 1 13 13 C H42 H 1 7.375 0.020 . 1 . . . . 13 C H42 . 17188 1 211 . 1 1 13 13 C C1' C 13 94.596 0.100 . 1 . . . . 13 C C1' . 17188 1 212 . 1 1 13 13 C C2' C 13 75.532 0.100 . 1 . . . . 13 C C2' . 17188 1 213 . 1 1 13 13 C C3' C 13 72.537 0.100 . 1 . . . . 13 C C3' . 17188 1 214 . 1 1 13 13 C C4' C 13 82.217 0.100 . 1 . . . . 13 C C4' . 17188 1 215 . 1 1 13 13 C C5 C 13 99.525 0.100 . 1 . . . . 13 C C5 . 17188 1 216 . 1 1 13 13 C C5' C 13 64.840 0.100 . 1 . . . . 13 C C5' . 17188 1 217 . 1 1 13 13 C C6 C 13 142.077 0.100 . 1 . . . . 13 C C6 . 17188 1 218 . 1 1 13 13 C N1 N 15 152.242 0.100 . 1 . . . . 13 C N1 . 17188 1 219 . 1 1 13 13 C N4 N 15 98.654 0.100 . 1 . . . . 13 C N4 . 17188 1 220 . 1 1 14 14 C H1' H 1 5.665 0.020 . 1 . . . . 14 C H1' . 17188 1 221 . 1 1 14 14 C H2' H 1 4.692 0.020 . 1 . . . . 14 C H2' . 17188 1 222 . 1 1 14 14 C H3' H 1 4.667 0.020 . 1 . . . . 14 C H3' . 17188 1 223 . 1 1 14 14 C H4' H 1 4.529 0.020 . 1 . . . . 14 C H4' . 17188 1 224 . 1 1 14 14 C H5 H 1 5.764 0.020 . 1 . . . . 14 C H5 . 17188 1 225 . 1 1 14 14 C H5' H 1 4.623 0.020 . 1 . . . . 14 C H5' . 17188 1 226 . 1 1 14 14 C H5'' H 1 4.214 0.020 . 1 . . . . 14 C H5'' . 17188 1 227 . 1 1 14 14 C H6 H 1 7.966 0.020 . 1 . . . . 14 C H6 . 17188 1 228 . 1 1 14 14 C H41 H 1 8.546 0.020 . 1 . . . . 14 C H41 . 17188 1 229 . 1 1 14 14 C H42 H 1 7.114 0.020 . 1 . . . . 14 C H42 . 17188 1 230 . 1 1 14 14 C C1' C 13 94.385 0.100 . 1 . . . . 14 C C1' . 17188 1 231 . 1 1 14 14 C C2' C 13 75.468 0.100 . 1 . . . . 14 C C2' . 17188 1 232 . 1 1 14 14 C C3' C 13 72.456 0.100 . 1 . . . . 14 C C3' . 17188 1 233 . 1 1 14 14 C C4' C 13 81.875 0.100 . 1 . . . . 14 C C4' . 17188 1 234 . 1 1 14 14 C C5 C 13 98.641 0.100 . 1 . . . . 14 C C5 . 17188 1 235 . 1 1 14 14 C C5' C 13 64.855 0.100 . 1 . . . . 14 C C5' . 17188 1 236 . 1 1 14 14 C C6 C 13 141.627 0.100 . 1 . . . . 14 C C6 . 17188 1 237 . 1 1 14 14 C N1 N 15 150.709 0.100 . 1 . . . . 14 C N1 . 17188 1 238 . 1 1 14 14 C N4 N 15 98.342 0.100 . 1 . . . . 14 C N4 . 17188 1 239 . 1 1 15 15 G H1 H 1 12.874 0.020 . 1 . . . . 15 G H1 . 17188 1 240 . 1 1 15 15 G H1' H 1 5.807 0.020 . 1 . . . . 15 G H1' . 17188 1 241 . 1 1 15 15 G H2' H 1 4.535 0.020 . 1 . . . . 15 G H2' . 17188 1 242 . 1 1 15 15 G H3' H 1 4.661 0.020 . 1 . . . . 15 G H3' . 17188 1 243 . 1 1 15 15 G H4' H 1 4.559 0.020 . 1 . . . . 15 G H4' . 17188 1 244 . 1 1 15 15 G H5' H 1 4.615 0.020 . 1 . . . . 15 G H5' . 17188 1 245 . 1 1 15 15 G H5'' H 1 4.197 0.020 . 1 . . . . 15 G H5'' . 17188 1 246 . 1 1 15 15 G H8 H 1 7.680 0.020 . 1 . . . . 15 G H8 . 17188 1 247 . 1 1 15 15 G H21 H 1 8.269 0.020 . 1 . . . . 15 G H21 . 17188 1 248 . 1 1 15 15 G H22 H 1 6.958 0.020 . 1 . . . . 15 G H22 . 17188 1 249 . 1 1 15 15 G C1' C 13 93.626 0.100 . 1 . . . . 15 G C1' . 17188 1 250 . 1 1 15 15 G C2' C 13 75.350 0.100 . 1 . . . . 15 G C2' . 17188 1 251 . 1 1 15 15 G C3' C 13 72.910 0.100 . 1 . . . . 15 G C3' . 17188 1 252 . 1 1 15 15 G C4' C 13 82.132 0.100 . 1 . . . . 15 G C4' . 17188 1 253 . 1 1 15 15 G C5' C 13 65.445 0.100 . 1 . . . . 15 G C5' . 17188 1 254 . 1 1 15 15 G C8 C 13 136.965 0.100 . 1 . . . . 15 G C8 . 17188 1 255 . 1 1 15 15 G N1 N 15 147.503 0.100 . 1 . . . . 15 G N1 . 17188 1 256 . 1 1 15 15 G N9 N 15 169.095 0.100 . 1 . . . . 15 G N9 . 17188 1 257 . 1 1 16 16 U H1' H 1 5.613 0.020 . 1 . . . . 16 U H1' . 17188 1 258 . 1 1 16 16 U H2' H 1 4.630 0.020 . 1 . . . . 16 U H2' . 17188 1 259 . 1 1 16 16 U H3 H 1 13.732 0.020 . 1 . . . . 16 U H3 . 17188 1 260 . 1 1 16 16 U H3' H 1 4.653 0.020 . 1 . . . . 16 U H3' . 17188 1 261 . 1 1 16 16 U H4' H 1 4.513 0.020 . 1 . . . . 16 U H4' . 17188 1 262 . 1 1 16 16 U H5 H 1 5.159 0.020 . 1 . . . . 16 U H5 . 17188 1 263 . 1 1 16 16 U H5' H 1 4.646 0.020 . 1 . . . . 16 U H5' . 17188 1 264 . 1 1 16 16 U H5'' H 1 4.177 0.020 . 1 . . . . 16 U H5'' . 17188 1 265 . 1 1 16 16 U H6 H 1 7.857 0.020 . 1 . . . . 16 U H6 . 17188 1 266 . 1 1 16 16 U C1' C 13 93.851 0.100 . 1 . . . . 16 U C1' . 17188 1 267 . 1 1 16 16 U C2' C 13 75.302 0.100 . 1 . . . . 16 U C2' . 17188 1 268 . 1 1 16 16 U C3' C 13 72.200 0.100 . 1 . . . . 16 U C3' . 17188 1 269 . 1 1 16 16 U C4' C 13 82.022 0.100 . 1 . . . . 16 U C4' . 17188 1 270 . 1 1 16 16 U C5 C 13 103.594 0.100 . 1 . . . . 16 U C5 . 17188 1 271 . 1 1 16 16 U C5' C 13 64.424 0.100 . 1 . . . . 16 U C5' . 17188 1 272 . 1 1 16 16 U C6 C 13 141.719 0.100 . 1 . . . . 16 U C6 . 17188 1 273 . 1 1 16 16 U N1 N 15 153.709 0.100 . 1 . . . . 16 U N1 . 17188 1 274 . 1 1 16 16 U N3 N 15 162.285 0.100 . 1 . . . . 16 U N3 . 17188 1 275 . 1 1 17 17 G H1 H 1 12.645 0.020 . 1 . . . . 17 G H1 . 17188 1 276 . 1 1 17 17 G H1' H 1 5.880 0.020 . 1 . . . . 17 G H1' . 17188 1 277 . 1 1 17 17 G H2' H 1 4.567 0.020 . 1 . . . . 17 G H2' . 17188 1 278 . 1 1 17 17 G H3' H 1 4.626 0.020 . 1 . . . . 17 G H3' . 17188 1 279 . 1 1 17 17 G H4' H 1 4.539 0.020 . 1 . . . . 17 G H4' . 17188 1 280 . 1 1 17 17 G H5' H 1 4.565 0.020 . 1 . . . . 17 G H5' . 17188 1 281 . 1 1 17 17 G H5'' H 1 4.185 0.020 . 1 . . . . 17 G H5'' . 17188 1 282 . 1 1 17 17 G H8 H 1 7.777 0.020 . 1 . . . . 17 G H8 . 17188 1 283 . 1 1 17 17 G C1' C 13 92.935 0.100 . 1 . . . . 17 G C1' . 17188 1 284 . 1 1 17 17 G C2' C 13 75.525 0.100 . 1 . . . . 17 G C2' . 17188 1 285 . 1 1 17 17 G C3' C 13 72.883 0.100 . 1 . . . . 17 G C3' . 17188 1 286 . 1 1 17 17 G C4' C 13 81.938 0.100 . 1 . . . . 17 G C4' . 17188 1 287 . 1 1 17 17 G C5' C 13 65.446 0.100 . 1 . . . . 17 G C5' . 17188 1 288 . 1 1 17 17 G C8 C 13 136.654 0.100 . 1 . . . . 17 G C8 . 17188 1 289 . 1 1 17 17 G N1 N 15 147.772 0.100 . 1 . . . . 17 G N1 . 17188 1 290 . 1 1 17 17 G N9 N 15 169.785 0.100 . 1 . . . . 17 G N9 . 17188 1 291 . 1 1 18 18 C H1' H 1 5.488 0.020 . 1 . . . . 18 C H1' . 17188 1 292 . 1 1 18 18 C H2' H 1 4.500 0.020 . 1 . . . . 18 C H2' . 17188 1 293 . 1 1 18 18 C H3' H 1 4.268 0.020 . 1 . . . . 18 C H3' . 17188 1 294 . 1 1 18 18 C H4' H 1 4.464 0.020 . 1 . . . . 18 C H4' . 17188 1 295 . 1 1 18 18 C H5 H 1 5.262 0.020 . 1 . . . . 18 C H5 . 17188 1 296 . 1 1 18 18 C H5' H 1 4.543 0.020 . 1 . . . . 18 C H5' . 17188 1 297 . 1 1 18 18 C H5'' H 1 4.096 0.020 . 1 . . . . 18 C H5'' . 17188 1 298 . 1 1 18 18 C H6 H 1 7.501 0.020 . 1 . . . . 18 C H6 . 17188 1 299 . 1 1 18 18 C H41 H 1 8.571 0.020 . 1 . . . . 18 C H41 . 17188 1 300 . 1 1 18 18 C H42 H 1 7.067 0.020 . 1 . . . . 18 C H42 . 17188 1 301 . 1 1 18 18 C C1' C 13 94.290 0.100 . 1 . . . . 18 C C1' . 17188 1 302 . 1 1 18 18 C C2' C 13 75.437 0.100 . 1 . . . . 18 C C2' . 17188 1 303 . 1 1 18 18 C C3' C 13 71.906 0.100 . 1 . . . . 18 C C3' . 17188 1 304 . 1 1 18 18 C C4' C 13 81.897 0.100 . 1 . . . . 18 C C4' . 17188 1 305 . 1 1 18 18 C C5 C 13 97.766 0.100 . 1 . . . . 18 C C5 . 17188 1 306 . 1 1 18 18 C C5' C 13 64.668 0.100 . 1 . . . . 18 C C5' . 17188 1 307 . 1 1 18 18 C C6 C 13 140.963 0.100 . 1 . . . . 18 C C6 . 17188 1 308 . 1 1 18 18 C N1 N 15 151.217 0.100 . 1 . . . . 18 C N1 . 17188 1 309 . 1 1 18 18 C N4 N 15 99.761 0.100 . 1 . . . . 18 C N4 . 17188 1 310 . 1 1 19 19 U H1' H 1 5.694 0.020 . 1 . . . . 19 U H1' . 17188 1 311 . 1 1 19 19 U H2' H 1 3.819 0.020 . 1 . . . . 19 U H2' . 17188 1 312 . 1 1 19 19 U H3 H 1 11.761 0.020 . 1 . . . . 19 U H3 . 17188 1 313 . 1 1 19 19 U H3' H 1 4.574 0.020 . 1 . . . . 19 U H3' . 17188 1 314 . 1 1 19 19 U H4' H 1 4.400 0.020 . 1 . . . . 19 U H4' . 17188 1 315 . 1 1 19 19 U H5 H 1 5.757 0.020 . 1 . . . . 19 U H5 . 17188 1 316 . 1 1 19 19 U H5' H 1 4.531 0.020 . 1 . . . . 19 U H5' . 17188 1 317 . 1 1 19 19 U H5'' H 1 4.129 0.020 . 1 . . . . 19 U H5'' . 17188 1 318 . 1 1 19 19 U H6 H 1 7.805 0.020 . 1 . . . . 19 U H6 . 17188 1 319 . 1 1 19 19 U C1' C 13 94.992 0.100 . 1 . . . . 19 U C1' . 17188 1 320 . 1 1 19 19 U C2' C 13 75.991 0.100 . 1 . . . . 19 U C2' . 17188 1 321 . 1 1 19 19 U C3' C 13 73.166 0.100 . 1 . . . . 19 U C3' . 17188 1 322 . 1 1 19 19 U C4' C 13 82.418 0.100 . 1 . . . . 19 U C4' . 17188 1 323 . 1 1 19 19 U C5 C 13 105.588 0.100 . 1 . . . . 19 U C5 . 17188 1 324 . 1 1 19 19 U C5' C 13 63.956 0.100 . 1 . . . . 19 U C5' . 17188 1 325 . 1 1 19 19 U C6 C 13 141.156 0.100 . 1 . . . . 19 U C6 . 17188 1 326 . 1 1 19 19 U N1 N 15 154.876 0.100 . 1 . . . . 19 U N1 . 17188 1 327 . 1 1 19 19 U N3 N 15 160.007 0.100 . 1 . . . . 19 U N3 . 17188 1 328 . 1 1 20 20 U H1' H 1 6.143 0.020 . 1 . . . . 20 U H1' . 17188 1 329 . 1 1 20 20 U H2' H 1 4.704 0.020 . 1 . . . . 20 U H2' . 17188 1 330 . 1 1 20 20 U H3' H 1 4.059 0.020 . 1 . . . . 20 U H3' . 17188 1 331 . 1 1 20 20 U H4' H 1 4.523 0.020 . 1 . . . . 20 U H4' . 17188 1 332 . 1 1 20 20 U H5 H 1 5.897 0.020 . 1 . . . . 20 U H5 . 17188 1 333 . 1 1 20 20 U H5' H 1 4.284 0.020 . 1 . . . . 20 U H5' . 17188 1 334 . 1 1 20 20 U H5'' H 1 4.079 0.020 . 1 . . . . 20 U H5'' . 17188 1 335 . 1 1 20 20 U H6 H 1 8.066 0.020 . 1 . . . . 20 U H6 . 17188 1 336 . 1 1 20 20 U C1' C 13 89.668 0.100 . 1 . . . . 20 U C1' . 17188 1 337 . 1 1 20 20 U C2' C 13 74.620 0.100 . 1 . . . . 20 U C2' . 17188 1 338 . 1 1 20 20 U C3' C 13 77.795 0.100 . 1 . . . . 20 U C3' . 17188 1 339 . 1 1 20 20 U C4' C 13 87.025 0.100 . 1 . . . . 20 U C4' . 17188 1 340 . 1 1 20 20 U C5 C 13 105.967 0.100 . 1 . . . . 20 U C5 . 17188 1 341 . 1 1 20 20 U C5' C 13 67.882 0.100 . 1 . . . . 20 U C5' . 17188 1 342 . 1 1 20 20 U C6 C 13 145.173 0.100 . 1 . . . . 20 U C6 . 17188 1 343 . 1 1 20 20 U N1 N 15 151.877 0.100 . 1 . . . . 20 U N1 . 17188 1 344 . 1 1 21 21 C H1' H 1 6.000 0.020 . 1 . . . . 21 C H1' . 17188 1 345 . 1 1 21 21 C H2' H 1 4.141 0.020 . 1 . . . . 21 C H2' . 17188 1 346 . 1 1 21 21 C H3' H 1 4.525 0.020 . 1 . . . . 21 C H3' . 17188 1 347 . 1 1 21 21 C H4' H 1 3.845 0.020 . 1 . . . . 21 C H4' . 17188 1 348 . 1 1 21 21 C H5 H 1 6.167 0.020 . 1 . . . . 21 C H5 . 17188 1 349 . 1 1 21 21 C H5' H 1 3.648 0.020 . 1 . . . . 21 C H5' . 17188 1 350 . 1 1 21 21 C H5'' H 1 2.747 0.020 . 1 . . . . 21 C H5'' . 17188 1 351 . 1 1 21 21 C H6 H 1 7.734 0.020 . 1 . . . . 21 C H6 . 17188 1 352 . 1 1 21 21 C H41 H 1 7.149 0.020 . 1 . . . . 21 C H41 . 17188 1 353 . 1 1 21 21 C H42 H 1 6.375 0.020 . 1 . . . . 21 C H42 . 17188 1 354 . 1 1 21 21 C C1' C 13 89.552 0.100 . 1 . . . . 21 C C1' . 17188 1 355 . 1 1 21 21 C C2' C 13 77.637 0.100 . 1 . . . . 21 C C2' . 17188 1 356 . 1 1 21 21 C C3' C 13 80.330 0.100 . 1 . . . . 21 C C3' . 17188 1 357 . 1 1 21 21 C C4' C 13 84.511 0.100 . 1 . . . . 21 C C4' . 17188 1 358 . 1 1 21 21 C C5 C 13 99.021 0.100 . 1 . . . . 21 C C5 . 17188 1 359 . 1 1 21 21 C C5' C 13 67.404 0.100 . 1 . . . . 21 C C5' . 17188 1 360 . 1 1 21 21 C C6 C 13 143.328 0.100 . 1 . . . . 21 C C6 . 17188 1 361 . 1 1 21 21 C N1 N 15 150.611 0.100 . 1 . . . . 21 C N1 . 17188 1 362 . 1 1 21 21 C N4 N 15 93.902 0.100 . 1 . . . . 21 C N4 . 17188 1 363 . 1 1 22 22 G H1 H 1 9.912 0.020 . 1 . . . . 22 G H1 . 17188 1 364 . 1 1 22 22 G H1' H 1 6.008 0.020 . 1 . . . . 22 G H1' . 17188 1 365 . 1 1 22 22 G H2' H 1 4.874 0.020 . 1 . . . . 22 G H2' . 17188 1 366 . 1 1 22 22 G H3' H 1 5.672 0.020 . 1 . . . . 22 G H3' . 17188 1 367 . 1 1 22 22 G H4' H 1 4.454 0.020 . 1 . . . . 22 G H4' . 17188 1 368 . 1 1 22 22 G H5' H 1 4.449 0.020 . 1 . . . . 22 G H5' . 17188 1 369 . 1 1 22 22 G H5'' H 1 4.233 0.020 . 1 . . . . 22 G H5'' . 17188 1 370 . 1 1 22 22 G H8 H 1 7.906 0.020 . 1 . . . . 22 G H8 . 17188 1 371 . 1 1 22 22 G H22 H 1 6.665 0.020 . 1 . . . . 22 G H22 . 17188 1 372 . 1 1 22 22 G C1' C 13 95.050 0.100 . 1 . . . . 22 G C1' . 17188 1 373 . 1 1 22 22 G C2' C 13 77.286 0.100 . 1 . . . . 22 G C2' . 17188 1 374 . 1 1 22 22 G C3' C 13 75.881 0.100 . 1 . . . . 22 G C3' . 17188 1 375 . 1 1 22 22 G C4' C 13 83.191 0.100 . 1 . . . . 22 G C4' . 17188 1 376 . 1 1 22 22 G C5' C 13 69.043 0.100 . 1 . . . . 22 G C5' . 17188 1 377 . 1 1 22 22 G C8 C 13 143.532 0.100 . 1 . . . . 22 G C8 . 17188 1 378 . 1 1 22 22 G N1 N 15 143.328 0.100 . 1 . . . . 22 G N1 . 17188 1 379 . 1 1 22 22 G N9 N 15 171.718 0.100 . 1 . . . . 22 G N9 . 17188 1 380 . 1 1 23 23 G H1 H 1 13.436 0.020 . 1 . . . . 23 G H1 . 17188 1 381 . 1 1 23 23 G H1' H 1 4.473 0.020 . 1 . . . . 23 G H1' . 17188 1 382 . 1 1 23 23 G H2' H 1 4.470 0.020 . 1 . . . . 23 G H2' . 17188 1 383 . 1 1 23 23 G H3' H 1 4.312 0.020 . 1 . . . . 23 G H3' . 17188 1 384 . 1 1 23 23 G H4' H 1 4.435 0.020 . 1 . . . . 23 G H4' . 17188 1 385 . 1 1 23 23 G H5' H 1 4.551 0.020 . 1 . . . . 23 G H5' . 17188 1 386 . 1 1 23 23 G H5'' H 1 4.325 0.020 . 1 . . . . 23 G H5'' . 17188 1 387 . 1 1 23 23 G H8 H 1 8.350 0.020 . 1 . . . . 23 G H8 . 17188 1 388 . 1 1 23 23 G H21 H 1 8.792 0.020 . 1 . . . . 23 G H21 . 17188 1 389 . 1 1 23 23 G H22 H 1 6.426 0.020 . 1 . . . . 23 G H22 . 17188 1 390 . 1 1 23 23 G C1' C 13 93.732 0.100 . 1 . . . . 23 G C1' . 17188 1 391 . 1 1 23 23 G C2' C 13 75.076 0.100 . 1 . . . . 23 G C2' . 17188 1 392 . 1 1 23 23 G C3' C 13 74.594 0.100 . 1 . . . . 23 G C3' . 17188 1 393 . 1 1 23 23 G C4' C 13 83.098 0.100 . 1 . . . . 23 G C4' . 17188 1 394 . 1 1 23 23 G C5' C 13 69.797 0.100 . 1 . . . . 23 G C5' . 17188 1 395 . 1 1 23 23 G C8 C 13 139.480 0.100 . 1 . . . . 23 G C8 . 17188 1 396 . 1 1 23 23 G N1 N 15 148.446 0.100 . 1 . . . . 23 G N1 . 17188 1 397 . 1 1 23 23 G N2 N 15 75.818 0.100 . 1 . . . . 23 G N2 . 17188 1 398 . 1 1 23 23 G N9 N 15 170.408 0.100 . 1 . . . . 23 G N9 . 17188 1 399 . 1 1 24 24 C H1' H 1 5.534 0.020 . 1 . . . . 24 C H1' . 17188 1 400 . 1 1 24 24 C H2' H 1 4.595 0.020 . 1 . . . . 24 C H2' . 17188 1 401 . 1 1 24 24 C H3' H 1 4.585 0.020 . 1 . . . . 24 C H3' . 17188 1 402 . 1 1 24 24 C H4' H 1 4.433 0.020 . 1 . . . . 24 C H4' . 17188 1 403 . 1 1 24 24 C H5 H 1 5.345 0.020 . 1 . . . . 24 C H5 . 17188 1 404 . 1 1 24 24 C H5' H 1 4.548 0.020 . 1 . . . . 24 C H5' . 17188 1 405 . 1 1 24 24 C H5'' H 1 4.094 0.020 . 1 . . . . 24 C H5'' . 17188 1 406 . 1 1 24 24 C H6 H 1 7.758 0.020 . 1 . . . . 24 C H6 . 17188 1 407 . 1 1 24 24 C H41 H 1 8.728 0.020 . 1 . . . . 24 C H41 . 17188 1 408 . 1 1 24 24 C H42 H 1 6.934 0.020 . 1 . . . . 24 C H42 . 17188 1 409 . 1 1 24 24 C C1' C 13 94.332 0.100 . 1 . . . . 24 C C1' . 17188 1 410 . 1 1 24 24 C C2' C 13 75.218 0.100 . 1 . . . . 24 C C2' . 17188 1 411 . 1 1 24 24 C C3' C 13 72.017 0.100 . 1 . . . . 24 C C3' . 17188 1 412 . 1 1 24 24 C C4' C 13 81.728 0.100 . 1 . . . . 24 C C4' . 17188 1 413 . 1 1 24 24 C C5 C 13 97.685 0.100 . 1 . . . . 24 C C5 . 17188 1 414 . 1 1 24 24 C C5' C 13 64.183 0.100 . 1 . . . . 24 C C5' . 17188 1 415 . 1 1 24 24 C C6 C 13 141.609 0.100 . 1 . . . . 24 C C6 . 17188 1 416 . 1 1 24 24 C N1 N 15 151.182 0.100 . 1 . . . . 24 C N1 . 17188 1 417 . 1 1 24 24 C N4 N 15 97.928 0.100 . 1 . . . . 24 C N4 . 17188 1 418 . 1 1 25 25 A H1' H 1 6.002 0.020 . 1 . . . . 25 A H1' . 17188 1 419 . 1 1 25 25 A H2 H 1 7.423 0.020 . 1 . . . . 25 A H2 . 17188 1 420 . 1 1 25 25 A H2' H 1 4.591 0.020 . 1 . . . . 25 A H2' . 17188 1 421 . 1 1 25 25 A H3' H 1 4.720 0.020 . 1 . . . . 25 A H3' . 17188 1 422 . 1 1 25 25 A H4' H 1 4.539 0.020 . 1 . . . . 25 A H4' . 17188 1 423 . 1 1 25 25 A H5' H 1 4.632 0.020 . 1 . . . . 25 A H5' . 17188 1 424 . 1 1 25 25 A H5'' H 1 4.182 0.020 . 1 . . . . 25 A H5'' . 17188 1 425 . 1 1 25 25 A H8 H 1 8.108 0.020 . 1 . . . . 25 A H8 . 17188 1 426 . 1 1 25 25 A C1' C 13 93.479 0.100 . 1 . . . . 25 A C1' . 17188 1 427 . 1 1 25 25 A C2 C 13 153.720 0.100 . 1 . . . . 25 A C2 . 17188 1 428 . 1 1 25 25 A C2' C 13 75.660 0.100 . 1 . . . . 25 A C2' . 17188 1 429 . 1 1 25 25 A C3' C 13 72.673 0.100 . 1 . . . . 25 A C3' . 17188 1 430 . 1 1 25 25 A C4' C 13 81.927 0.100 . 1 . . . . 25 A C4' . 17188 1 431 . 1 1 25 25 A C5' C 13 64.890 0.100 . 1 . . . . 25 A C5' . 17188 1 432 . 1 1 25 25 A C8 C 13 139.910 0.100 . 1 . . . . 25 A C8 . 17188 1 433 . 1 1 25 25 A N9 N 15 170.864 0.100 . 1 . . . . 25 A N9 . 17188 1 434 . 1 1 26 26 C H1' H 1 5.457 0.020 . 1 . . . . 26 C H1' . 17188 1 435 . 1 1 26 26 C H2' H 1 4.488 0.020 . 1 . . . . 26 C H2' . 17188 1 436 . 1 1 26 26 C H3' H 1 4.468 0.020 . 1 . . . . 26 C H3' . 17188 1 437 . 1 1 26 26 C H4' H 1 4.436 0.020 . 1 . . . . 26 C H4' . 17188 1 438 . 1 1 26 26 C H5 H 1 5.270 0.020 . 1 . . . . 26 C H5 . 17188 1 439 . 1 1 26 26 C H5' H 1 4.561 0.020 . 1 . . . . 26 C H5' . 17188 1 440 . 1 1 26 26 C H5'' H 1 4.107 0.020 . 1 . . . . 26 C H5'' . 17188 1 441 . 1 1 26 26 C H6 H 1 7.518 0.020 . 1 . . . . 26 C H6 . 17188 1 442 . 1 1 26 26 C H41 H 1 8.280 0.020 . 1 . . . . 26 C H41 . 17188 1 443 . 1 1 26 26 C H42 H 1 6.959 0.020 . 1 . . . . 26 C H42 . 17188 1 444 . 1 1 26 26 C C1' C 13 93.859 0.100 . 1 . . . . 26 C C1' . 17188 1 445 . 1 1 26 26 C C2' C 13 75.616 0.100 . 1 . . . . 26 C C2' . 17188 1 446 . 1 1 26 26 C C3' C 13 72.408 0.100 . 1 . . . . 26 C C3' . 17188 1 447 . 1 1 26 26 C C4' C 13 81.631 0.100 . 1 . . . . 26 C C4' . 17188 1 448 . 1 1 26 26 C C5 C 13 98.000 0.100 . 1 . . . . 26 C C5 . 17188 1 449 . 1 1 26 26 C C5' C 13 64.659 0.100 . 1 . . . . 26 C C5' . 17188 1 450 . 1 1 26 26 C C6 C 13 140.676 0.100 . 1 . . . . 26 C C6 . 17188 1 451 . 1 1 26 26 C N1 N 15 150.404 0.100 . 1 . . . . 26 C N1 . 17188 1 452 . 1 1 26 26 C N4 N 15 98.492 0.100 . 1 . . . . 26 C N4 . 17188 1 453 . 1 1 27 27 G H1 H 1 12.777 0.020 . 1 . . . . 27 G H1 . 17188 1 454 . 1 1 27 27 G H1' H 1 5.753 0.020 . 1 . . . . 27 G H1' . 17188 1 455 . 1 1 27 27 G H2' H 1 4.580 0.020 . 1 . . . . 27 G H2' . 17188 1 456 . 1 1 27 27 G H3' H 1 4.584 0.020 . 1 . . . . 27 G H3' . 17188 1 457 . 1 1 27 27 G H4' H 1 4.512 0.020 . 1 . . . . 27 G H4' . 17188 1 458 . 1 1 27 27 G H5' H 1 4.498 0.020 . 1 . . . . 27 G H5' . 17188 1 459 . 1 1 27 27 G H5'' H 1 4.141 0.020 . 1 . . . . 27 G H5'' . 17188 1 460 . 1 1 27 27 G H8 H 1 7.517 0.020 . 1 . . . . 27 G H8 . 17188 1 461 . 1 1 27 27 G C1' C 13 93.567 0.100 . 1 . . . . 27 G C1' . 17188 1 462 . 1 1 27 27 G C2' C 13 75.387 0.100 . 1 . . . . 27 G C2' . 17188 1 463 . 1 1 27 27 G C3' C 13 73.117 0.100 . 1 . . . . 27 G C3' . 17188 1 464 . 1 1 27 27 G C4' C 13 82.205 0.100 . 1 . . . . 27 G C4' . 17188 1 465 . 1 1 27 27 G C5' C 13 65.995 0.100 . 1 . . . . 27 G C5' . 17188 1 466 . 1 1 27 27 G C8 C 13 136.633 0.100 . 1 . . . . 27 G C8 . 17188 1 467 . 1 1 27 27 G N1 N 15 147.204 0.100 . 1 . . . . 27 G N1 . 17188 1 468 . 1 1 27 27 G N9 N 15 168.710 0.100 . 1 . . . . 27 G N9 . 17188 1 469 . 1 1 28 28 G H1 H 1 12.976 0.020 . 1 . . . . 28 G H1 . 17188 1 470 . 1 1 28 28 G H1' H 1 5.957 0.020 . 1 . . . . 28 G H1' . 17188 1 471 . 1 1 28 28 G H2' H 1 4.323 0.020 . 1 . . . . 28 G H2' . 17188 1 472 . 1 1 28 28 G H3' H 1 4.722 0.020 . 1 . . . . 28 G H3' . 17188 1 473 . 1 1 28 28 G H4' H 1 4.553 0.020 . 1 . . . . 28 G H4' . 17188 1 474 . 1 1 28 28 G H5' H 1 4.576 0.020 . 1 . . . . 28 G H5' . 17188 1 475 . 1 1 28 28 G H5'' H 1 4.187 0.020 . 1 . . . . 28 G H5'' . 17188 1 476 . 1 1 28 28 G H8 H 1 7.409 0.020 . 1 . . . . 28 G H8 . 17188 1 477 . 1 1 28 28 G C1' C 13 91.396 0.100 . 1 . . . . 28 G C1' . 17188 1 478 . 1 1 28 28 G C2' C 13 77.244 0.100 . 1 . . . . 28 G C2' . 17188 1 479 . 1 1 28 28 G C3' C 13 75.311 0.100 . 1 . . . . 28 G C3' . 17188 1 480 . 1 1 28 28 G C4' C 13 84.133 0.100 . 1 . . . . 28 G C4' . 17188 1 481 . 1 1 28 28 G C5' C 13 65.997 0.100 . 1 . . . . 28 G C5' . 17188 1 482 . 1 1 28 28 G C8 C 13 137.689 0.100 . 1 . . . . 28 G C8 . 17188 1 483 . 1 1 28 28 G N1 N 15 147.466 0.100 . 1 . . . . 28 G N1 . 17188 1 484 . 1 1 28 28 G N9 N 15 168.565 0.100 . 1 . . . . 28 G N9 . 17188 1 485 . 1 1 29 29 A H1' H 1 5.955 0.020 . 1 . . . . 29 A H1' . 17188 1 486 . 1 1 29 29 A H2 H 1 6.999 0.020 . 1 . . . . 29 A H2 . 17188 1 487 . 1 1 29 29 A H2' H 1 4.875 0.020 . 1 . . . . 29 A H2' . 17188 1 488 . 1 1 29 29 A H3' H 1 4.741 0.020 . 1 . . . . 29 A H3' . 17188 1 489 . 1 1 29 29 A H4' H 1 4.539 0.020 . 1 . . . . 29 A H4' . 17188 1 490 . 1 1 29 29 A H5' H 1 4.413 0.020 . 1 . . . . 29 A H5' . 17188 1 491 . 1 1 29 29 A H5'' H 1 4.243 0.020 . 1 . . . . 29 A H5'' . 17188 1 492 . 1 1 29 29 A H8 H 1 8.386 0.020 . 1 . . . . 29 A H8 . 17188 1 493 . 1 1 29 29 A H61 H 1 7.718 0.020 . 1 . . . . 29 A H61 . 17188 1 494 . 1 1 29 29 A H62 H 1 6.586 0.020 . 1 . . . . 29 A H62 . 17188 1 495 . 1 1 29 29 A C1' C 13 91.857 0.100 . 1 . . . . 29 A C1' . 17188 1 496 . 1 1 29 29 A C2 C 13 152.968 0.100 . 1 . . . . 29 A C2 . 17188 1 497 . 1 1 29 29 A C2' C 13 75.373 0.100 . 1 . . . . 29 A C2' . 17188 1 498 . 1 1 29 29 A C3' C 13 74.853 0.100 . 1 . . . . 29 A C3' . 17188 1 499 . 1 1 29 29 A C4' C 13 83.580 0.100 . 1 . . . . 29 A C4' . 17188 1 500 . 1 1 29 29 A C5' C 13 67.204 0.100 . 1 . . . . 29 A C5' . 17188 1 501 . 1 1 29 29 A C8 C 13 141.988 0.100 . 1 . . . . 29 A C8 . 17188 1 502 . 1 1 29 29 A N6 N 15 83.625 0.100 . 1 . . . . 29 A N6 . 17188 1 503 . 1 1 29 29 A N9 N 15 169.136 0.100 . 1 . . . . 29 A N9 . 17188 1 504 . 1 1 30 30 A H1' H 1 5.900 0.020 . 1 . . . . 30 A H1' . 17188 1 505 . 1 1 30 30 A H2 H 1 7.152 0.020 . 1 . . . . 30 A H2 . 17188 1 506 . 1 1 30 30 A H2' H 1 4.660 0.020 . 1 . . . . 30 A H2' . 17188 1 507 . 1 1 30 30 A H3' H 1 4.635 0.020 . 1 . . . . 30 A H3' . 17188 1 508 . 1 1 30 30 A H4' H 1 4.602 0.020 . 1 . . . . 30 A H4' . 17188 1 509 . 1 1 30 30 A H5' H 1 4.531 0.020 . 1 . . . . 30 A H5' . 17188 1 510 . 1 1 30 30 A H5'' H 1 4.327 0.020 . 1 . . . . 30 A H5'' . 17188 1 511 . 1 1 30 30 A H8 H 1 7.825 0.020 . 1 . . . . 30 A H8 . 17188 1 512 . 1 1 30 30 A C1' C 13 93.249 0.100 . 1 . . . . 30 A C1' . 17188 1 513 . 1 1 30 30 A C2 C 13 153.284 0.100 . 1 . . . . 30 A C2 . 17188 1 514 . 1 1 30 30 A C2' C 13 75.535 0.100 . 1 . . . . 30 A C2' . 17188 1 515 . 1 1 30 30 A C3' C 13 73.494 0.100 . 1 . . . . 30 A C3' . 17188 1 516 . 1 1 30 30 A C4' C 13 82.597 0.100 . 1 . . . . 30 A C4' . 17188 1 517 . 1 1 30 30 A C5' C 13 66.630 0.100 . 1 . . . . 30 A C5' . 17188 1 518 . 1 1 30 30 A C8 C 13 140.411 0.100 . 1 . . . . 30 A C8 . 17188 1 519 . 1 1 30 30 A N9 N 15 170.016 0.100 . 1 . . . . 30 A N9 . 17188 1 520 . 1 1 31 31 A H1' H 1 5.846 0.020 . 1 . . . . 31 A H1' . 17188 1 521 . 1 1 31 31 A H2 H 1 7.166 0.020 . 1 . . . . 31 A H2 . 17188 1 522 . 1 1 31 31 A H2' H 1 4.556 0.020 . 1 . . . . 31 A H2' . 17188 1 523 . 1 1 31 31 A H3' H 1 4.663 0.020 . 1 . . . . 31 A H3' . 17188 1 524 . 1 1 31 31 A H4' H 1 4.542 0.020 . 1 . . . . 31 A H4' . 17188 1 525 . 1 1 31 31 A H5' H 1 4.584 0.020 . 1 . . . . 31 A H5' . 17188 1 526 . 1 1 31 31 A H5'' H 1 4.179 0.020 . 1 . . . . 31 A H5'' . 17188 1 527 . 1 1 31 31 A H8 H 1 7.679 0.020 . 1 . . . . 31 A H8 . 17188 1 528 . 1 1 31 31 A C1' C 13 93.128 0.100 . 1 . . . . 31 A C1' . 17188 1 529 . 1 1 31 31 A C2 C 13 153.283 0.100 . 1 . . . . 31 A C2 . 17188 1 530 . 1 1 31 31 A C2' C 13 75.682 0.100 . 1 . . . . 31 A C2' . 17188 1 531 . 1 1 31 31 A C3' C 13 72.926 0.100 . 1 . . . . 31 A C3' . 17188 1 532 . 1 1 31 31 A C4' C 13 82.064 0.100 . 1 . . . . 31 A C4' . 17188 1 533 . 1 1 31 31 A C5' C 13 65.406 0.100 . 1 . . . . 31 A C5' . 17188 1 534 . 1 1 31 31 A C8 C 13 139.723 0.100 . 1 . . . . 31 A C8 . 17188 1 535 . 1 1 31 31 A N9 N 15 170.310 0.100 . 1 . . . . 31 A N9 . 17188 1 536 . 1 1 32 32 A H1' H 1 5.885 0.020 . 1 . . . . 32 A H1' . 17188 1 537 . 1 1 32 32 A H2 H 1 7.465 0.020 . 1 . . . . 32 A H2 . 17188 1 538 . 1 1 32 32 A H2' H 1 4.619 0.020 . 1 . . . . 32 A H2' . 17188 1 539 . 1 1 32 32 A H3' H 1 4.638 0.020 . 1 . . . . 32 A H3' . 17188 1 540 . 1 1 32 32 A H4' H 1 4.523 0.020 . 1 . . . . 32 A H4' . 17188 1 541 . 1 1 32 32 A H5' H 1 4.571 0.020 . 1 . . . . 32 A H5' . 17188 1 542 . 1 1 32 32 A H5'' H 1 4.158 0.020 . 1 . . . . 32 A H5'' . 17188 1 543 . 1 1 32 32 A H8 H 1 7.690 0.020 . 1 . . . . 32 A H8 . 17188 1 544 . 1 1 32 32 A C1' C 13 92.985 0.100 . 1 . . . . 32 A C1' . 17188 1 545 . 1 1 32 32 A C2 C 13 153.716 0.100 . 1 . . . . 32 A C2 . 17188 1 546 . 1 1 32 32 A C2' C 13 75.681 0.100 . 1 . . . . 32 A C2' . 17188 1 547 . 1 1 32 32 A C3' C 13 72.917 0.100 . 1 . . . . 32 A C3' . 17188 1 548 . 1 1 32 32 A C4' C 13 81.927 0.100 . 1 . . . . 32 A C4' . 17188 1 549 . 1 1 32 32 A C5' C 13 65.361 0.100 . 1 . . . . 32 A C5' . 17188 1 550 . 1 1 32 32 A C8 C 13 139.567 0.100 . 1 . . . . 32 A C8 . 17188 1 551 . 1 1 32 32 A N9 N 15 170.362 0.100 . 1 . . . . 32 A N9 . 17188 1 552 . 1 1 33 33 G H1 H 1 13.502 0.020 . 1 . . . . 33 G H1 . 17188 1 553 . 1 1 33 33 G H1' H 1 5.633 0.020 . 1 . . . . 33 G H1' . 17188 1 554 . 1 1 33 33 G H2' H 1 4.465 0.020 . 1 . . . . 33 G H2' . 17188 1 555 . 1 1 33 33 G H3' H 1 4.441 0.020 . 1 . . . . 33 G H3' . 17188 1 556 . 1 1 33 33 G H4' H 1 4.479 0.020 . 1 . . . . 33 G H4' . 17188 1 557 . 1 1 33 33 G H5' H 1 4.487 0.020 . 1 . . . . 33 G H5' . 17188 1 558 . 1 1 33 33 G H5'' H 1 4.077 0.020 . 1 . . . . 33 G H5'' . 17188 1 559 . 1 1 33 33 G H8 H 1 7.204 0.020 . 1 . . . . 33 G H8 . 17188 1 560 . 1 1 33 33 G C1' C 13 93.223 0.100 . 1 . . . . 33 G C1' . 17188 1 561 . 1 1 33 33 G C2' C 13 75.289 0.100 . 1 . . . . 33 G C2' . 17188 1 562 . 1 1 33 33 G C3' C 13 72.833 0.100 . 1 . . . . 33 G C3' . 17188 1 563 . 1 1 33 33 G C4' C 13 81.997 0.100 . 1 . . . . 33 G C4' . 17188 1 564 . 1 1 33 33 G C5' C 13 65.620 0.100 . 1 . . . . 33 G C5' . 17188 1 565 . 1 1 33 33 G C8 C 13 136.172 0.100 . 1 . . . . 33 G C8 . 17188 1 566 . 1 1 33 33 G N1 N 15 148.627 0.100 . 1 . . . . 33 G N1 . 17188 1 567 . 1 1 33 33 G N9 N 15 169.032 0.100 . 1 . . . . 33 G N9 . 17188 1 568 . 1 1 34 34 C H1' H 1 5.565 0.020 . 1 . . . . 34 C H1' . 17188 1 569 . 1 1 34 34 C H2' H 1 4.306 0.020 . 1 . . . . 34 C H2' . 17188 1 570 . 1 1 34 34 C H3' H 1 4.465 0.020 . 1 . . . . 34 C H3' . 17188 1 571 . 1 1 34 34 C H4' H 1 4.424 0.020 . 1 . . . . 34 C H4' . 17188 1 572 . 1 1 34 34 C H5 H 1 5.200 0.020 . 1 . . . . 34 C H5 . 17188 1 573 . 1 1 34 34 C H5' H 1 4.564 0.020 . 1 . . . . 34 C H5' . 17188 1 574 . 1 1 34 34 C H5'' H 1 4.069 0.020 . 1 . . . . 34 C H5'' . 17188 1 575 . 1 1 34 34 C H6 H 1 7.646 0.020 . 1 . . . . 34 C H6 . 17188 1 576 . 1 1 34 34 C H41 H 1 8.622 0.020 . 1 . . . . 34 C H41 . 17188 1 577 . 1 1 34 34 C H42 H 1 6.946 0.020 . 1 . . . . 34 C H42 . 17188 1 578 . 1 1 34 34 C C1' C 13 94.622 0.100 . 1 . . . . 34 C C1' . 17188 1 579 . 1 1 34 34 C C2' C 13 75.615 0.100 . 1 . . . . 34 C C2' . 17188 1 580 . 1 1 34 34 C C3' C 13 71.984 0.100 . 1 . . . . 34 C C3' . 17188 1 581 . 1 1 34 34 C C4' C 13 81.948 0.100 . 1 . . . . 34 C C4' . 17188 1 582 . 1 1 34 34 C C5 C 13 97.492 0.100 . 1 . . . . 34 C C5 . 17188 1 583 . 1 1 34 34 C C5' C 13 64.394 0.100 . 1 . . . . 34 C C5' . 17188 1 584 . 1 1 34 34 C C6 C 13 141.473 0.100 . 1 . . . . 34 C C6 . 17188 1 585 . 1 1 34 34 C N1 N 15 151.227 0.100 . 1 . . . . 34 C N1 . 17188 1 586 . 1 1 34 34 C N4 N 15 99.458 0.100 . 1 . . . . 34 C N4 . 17188 1 587 . 1 1 35 35 C H1' H 1 5.819 0.020 . 1 . . . . 35 C H1' . 17188 1 588 . 1 1 35 35 C H2' H 1 4.057 0.020 . 1 . . . . 35 C H2' . 17188 1 589 . 1 1 35 35 C H3' H 1 4.221 0.020 . 1 . . . . 35 C H3' . 17188 1 590 . 1 1 35 35 C H4' H 1 4.207 0.020 . 1 . . . . 35 C H4' . 17188 1 591 . 1 1 35 35 C H5 H 1 5.560 0.020 . 1 . . . . 35 C H5 . 17188 1 592 . 1 1 35 35 C H5' H 1 4.524 0.020 . 1 . . . . 35 C H5' . 17188 1 593 . 1 1 35 35 C H5'' H 1 4.069 0.020 . 1 . . . . 35 C H5'' . 17188 1 594 . 1 1 35 35 C H6 H 1 7.716 0.020 . 1 . . . . 35 C H6 . 17188 1 595 . 1 1 35 35 C H41 H 1 8.450 0.020 . 1 . . . . 35 C H41 . 17188 1 596 . 1 1 35 35 C H42 H 1 7.045 0.020 . 1 . . . . 35 C H42 . 17188 1 597 . 1 1 35 35 C C1' C 13 93.455 0.100 . 1 . . . . 35 C C1' . 17188 1 598 . 1 1 35 35 C C2' C 13 77.606 0.100 . 1 . . . . 35 C C2' . 17188 1 599 . 1 1 35 35 C C3' C 13 69.643 0.100 . 1 . . . . 35 C C3' . 17188 1 600 . 1 1 35 35 C C4' C 13 83.363 0.100 . 1 . . . . 35 C C4' . 17188 1 601 . 1 1 35 35 C C5 C 13 98.780 0.100 . 1 . . . . 35 C C5 . 17188 1 602 . 1 1 35 35 C C5' C 13 65.095 0.100 . 1 . . . . 35 C C5' . 17188 1 603 . 1 1 35 35 C C6 C 13 142.238 0.100 . 1 . . . . 35 C C6 . 17188 1 604 . 1 1 35 35 C N1 N 15 152.612 0.100 . 1 . . . . 35 C N1 . 17188 1 605 . 1 1 35 35 C N4 N 15 97.691 0.100 . 1 . . . . 35 C N4 . 17188 1 stop_ save_