data_6633 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6633 _Entry.Title ; Structure of the RNA signal essential for translational frameshifting in HIV-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-13 _Entry.Accession_date 2005-05-13 _Entry.Last_release_date 2005-08-18 _Entry.Original_release_date 2005-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 C. Gaudin . . . 6633 2 M. Mazauric . H. . 6633 3 M. Traikia . . . 6633 4 E. Guittet . . . 6633 5 S. Yoshizawa . . . 6633 6 D. Fourmy . . . 6633 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6633 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 6633 '15N chemical shifts' 18 6633 '1H chemical shifts' 351 6633 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 . . 2005-08-18 2005-05-13 original author . 6633 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1ZC5 'BMRB Entry Tracking System' 6633 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6633 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15907937 _Citation.Full_citation . _Citation.Title 'Structure of the RNA Signal Essential for Translational Frameshifting in HIV-1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 349 _Citation.Journal_issue 5 _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 1024 _Citation.Page_last 1035 _Citation.Year 2005 _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 C. Gaudin . . . 6633 1 2 M. Mazauric . H. . 6633 1 3 M. Traikia . . . 6633 1 4 E. Guittet . . . 6633 1 5 S. Yoshizawa . . . 6633 1 6 D. Fourmy . . . 6633 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA bulged helix' 6633 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HIV-1_FS_RNA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HIV-1_FS_RNA _Assembly.Entry_ID 6633 _Assembly.ID 1 _Assembly.Name 'HIV-1 frameshift RNA signal' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6633 1 stop_ 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 'HIV-1 frameshift RNA signal' 1 $HIV_FS_RNA . . . native . . . . . 6633 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1ZC5 . . . . . . 6633 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HIV-1 frameshift RNA signal' system 6633 1 'HIV-1 FS RNA' abbreviation 6633 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV_FS_RNA _Entity.Sf_category entity _Entity.Sf_framecode HIV_FS_RNA _Entity.Entry_ID 6633 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HIV frameshift RNA signal' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCGAUCUGGCCUUCCUACA AGGGAAGGCCAGGGAAUUGC C ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HIV frameshift RNA signal' common 6633 1 'HIV FS RNA' abbreviation 6633 1 stop_ 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 . 6633 1 2 . G . 6633 1 3 . C . 6633 1 4 . G . 6633 1 5 . A . 6633 1 6 . U . 6633 1 7 . C . 6633 1 8 . U . 6633 1 9 . G . 6633 1 10 . G . 6633 1 11 . C . 6633 1 12 . C . 6633 1 13 . U . 6633 1 14 . U . 6633 1 15 . C . 6633 1 16 . C . 6633 1 17 . U . 6633 1 18 . A . 6633 1 19 . C . 6633 1 20 . A . 6633 1 21 . A . 6633 1 22 . G . 6633 1 23 . G . 6633 1 24 . G . 6633 1 25 . A . 6633 1 26 . A . 6633 1 27 . G . 6633 1 28 . G . 6633 1 29 . C . 6633 1 30 . C . 6633 1 31 . A . 6633 1 32 . G . 6633 1 33 . G . 6633 1 34 . G . 6633 1 35 . A . 6633 1 36 . A . 6633 1 37 . U . 6633 1 38 . U . 6633 1 39 . G . 6633 1 40 . C . 6633 1 41 . C . 6633 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 6633 1 . G 2 2 6633 1 . C 3 3 6633 1 . G 4 4 6633 1 . A 5 5 6633 1 . U 6 6 6633 1 . C 7 7 6633 1 . U 8 8 6633 1 . G 9 9 6633 1 . G 10 10 6633 1 . C 11 11 6633 1 . C 12 12 6633 1 . U 13 13 6633 1 . U 14 14 6633 1 . C 15 15 6633 1 . C 16 16 6633 1 . U 17 17 6633 1 . A 18 18 6633 1 . C 19 19 6633 1 . A 20 20 6633 1 . A 21 21 6633 1 . G 22 22 6633 1 . G 23 23 6633 1 . G 24 24 6633 1 . A 25 25 6633 1 . A 26 26 6633 1 . G 27 27 6633 1 . G 28 28 6633 1 . C 29 29 6633 1 . C 30 30 6633 1 . A 31 31 6633 1 . G 32 32 6633 1 . G 33 33 6633 1 . G 34 34 6633 1 . A 35 35 6633 1 . A 36 36 6633 1 . U 37 37 6633 1 . U 38 38 6633 1 . G 39 39 6633 1 . C 40 40 6633 1 . C 41 41 6633 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 6633 _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 $HIV_FS_RNA . 11646 . . Lentivirus Lentivirus . . Viruses . Lentivirus . . . . . . . . . . . . . . . . . . . 'The family is retroviridae.' . . 6633 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 6633 _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 $HIV_FS_RNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6633 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6633 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV frameshift RNA signal' . . . 1 $HIV_FS_RNA . . 1 . . mM . . . . 6633 1 2 'Na phosphate buffer' . . . . . . . 10 . . mM . . . . 6633 1 3 D2O . . . . . . . 10 . . % . . . . 6633 1 4 H2O . . . . . . . 90 . . % . . . . 6633 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6633 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV frameshift RNA signal' . . . 1 $HIV_FS_RNA . . 1 . . mM . . . . 6633 2 2 'Na phosphate buffer' . . . . . . . 10 . . mM . . . . 6633 2 3 D2O . . . . . . . 100 . . % . . . . 6633 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6633 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV frameshift RNA signal' '[U-13C; U-15N]' . . 1 $HIV_FS_RNA . . 1 . . mM . . . . 6633 3 2 'Na phosphate buffer' . . . . . . . 10 . . mM . . . . 6633 3 3 D2O . . . . . . . 100 . . % . . . . 6633 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6633 _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' 10 0.1 mM 6633 1 pH 6.4 0.1 pH 6633 1 pressure 1 . atm 6633 1 temperature 283 0.1 K 6633 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6633 _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' 10 0.1 mM 6633 2 pH 6.4 0.1 pH 6633 2 pressure 1 . atm 6633 2 temperature 303 0.1 K 6633 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6633 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6633 1 stop_ save_ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 6633 _Software.ID 2 _Software.Name GIFA _Software.Version 4.4 _Software.Details 'Delsuc, M.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6633 2 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 6633 _Software.ID 3 _Software.Name AURELIA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6633 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6633 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6633 4 stop_ save_ save_DISCOVER _Software.Sf_category software _Software.Sf_framecode DISCOVER _Software.Entry_ID 6633 _Software.ID 5 _Software.Name DISCOVER _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6633 5 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 6633 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6633 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6633 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6633 _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 DRX . 800 . . . 6633 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 6633 1 3 NMR_spectrometer_3 Varian INOVA . 500 . . . 6633 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 6633 _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 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6633 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6633 1 3 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6633 1 4 'HP COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6633 1 5 3D-HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6633 1 6 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6633 1 7 '3D HCP' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6633 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6633 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6633 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6633 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6633 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'HP COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6633 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D-HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6633 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6633 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HCP' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6633 _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 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.251449 internal cylindrical parallel . . . . . . 6633 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal cylindrical parallel . . . . . . 6633 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.101329 internal cylindrical parallel . . . . . . 6633 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6633 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6633 1 . . 2 $sample_2 . 6633 1 . . 3 $sample_3 . 6633 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 H8 H 1 8.15 0.05 . . . . . . . . . . 6633 1 2 . 1 1 1 1 G H1' H 1 5.84 0.05 . . . . . . . . . . 6633 1 3 . 1 1 1 1 G H2' H 1 4.94 0.05 . . . . . . . . . . 6633 1 4 . 1 1 1 1 G H3' H 1 4.73 0.05 . . . . . . . . . . 6633 1 5 . 1 1 1 1 G H4' H 1 4.56 0.05 . . . . . . . . . . 6633 1 6 . 1 1 1 1 G H5' H 1 4.32 0.05 . . . . . . . . . . 6633 1 7 . 1 1 1 1 G H5'' H 1 4.4 0.05 . . . . . . . . . . 6633 1 8 . 1 1 1 1 G H1 H 1 12.93 0.05 . . . . . . . . . . 6633 1 9 . 1 1 1 1 G C8 C 13 137.1 0.5 . . . . . . . . . . 6633 1 10 . 1 1 1 1 G C1' C 13 88.9 0.5 . . . . . . . . . . 6633 1 11 . 1 1 1 1 G C2' C 13 72.6 0.5 . . . . . . . . . . 6633 1 12 . 1 1 1 1 G C3' C 13 72.7 0.5 . . . . . . . . . . 6633 1 13 . 1 1 1 1 G C4' C 13 81.4 0.5 . . . . . . . . . . 6633 1 14 . 1 1 1 1 G C5' C 13 65.2 0.5 . . . . . . . . . . 6633 1 15 . 1 1 1 1 G N1 N 15 145.6 0.5 . . . . . . . . . . 6633 1 16 . 1 1 2 2 G H8 H 1 7.64 0.05 . . . . . . . . . . 6633 1 17 . 1 1 2 2 G H1' H 1 5.93 0.05 . . . . . . . . . . 6633 1 18 . 1 1 2 2 G H2' H 1 4.54 0.05 . . . . . . . . . . 6633 1 19 . 1 1 2 2 G H3' H 1 4.54 0.05 . . . . . . . . . . 6633 1 20 . 1 1 2 2 G H4' H 1 4.52 0.05 . . . . . . . . . . 6633 1 21 . 1 1 2 2 G H5' H 1 4.28 0.05 . . . . . . . . . . 6633 1 22 . 1 1 2 2 G H5'' H 1 4.51 0.05 . . . . . . . . . . 6633 1 23 . 1 1 2 2 G H1 H 1 13.41 0.05 . . . . . . . . . . 6633 1 24 . 1 1 2 2 G C8 C 13 135 0.5 . . . . . . . . . . 6633 1 25 . 1 1 2 2 G C1' C 13 90.7 0.5 . . . . . . . . . . 6633 1 26 . 1 1 2 2 G C2' C 13 73.1 0.5 . . . . . . . . . . 6633 1 27 . 1 1 2 2 G C3' C 13 70.7 0.5 . . . . . . . . . . 6633 1 28 . 1 1 2 2 G C4' C 13 80.3 0.5 . . . . . . . . . . 6633 1 29 . 1 1 2 2 G C5' C 13 63.9 0.5 . . . . . . . . . . 6633 1 30 . 1 1 2 2 G N1 N 15 146 0.5 . . . . . . . . . . 6633 1 31 . 1 1 3 3 C H6 H 1 7.57 0.05 . . . . . . . . . . 6633 1 32 . 1 1 3 3 C H5 H 1 5.25 0.05 . . . . . . . . . . 6633 1 33 . 1 1 3 3 C H1' H 1 5.64 0.05 . . . . . . . . . . 6633 1 34 . 1 1 3 3 C H2' H 1 4.62 0.05 . . . . . . . . . . 6633 1 35 . 1 1 3 3 C H3' H 1 4.46 0.05 . . . . . . . . . . 6633 1 36 . 1 1 3 3 C H4' H 1 4.42 0.05 . . . . . . . . . . 6633 1 37 . 1 1 3 3 C H5' H 1 4.11 0.05 . . . . . . . . . . 6633 1 38 . 1 1 3 3 C H5'' H 1 4.55 0.05 . . . . . . . . . . 6633 1 39 . 1 1 3 3 C H41 H 1 7.11 0.05 . . . . . . . . . . 6633 1 40 . 1 1 3 3 C H42 H 1 8.43 0.05 . . . . . . . . . . 6633 1 41 . 1 1 3 3 C C6 C 13 138.7 0.5 . . . . . . . . . . 6633 1 42 . 1 1 3 3 C C5 C 13 95.1 0.5 . . . . . . . . . . 6633 1 43 . 1 1 3 3 C C1' C 13 91.3 0.5 . . . . . . . . . . 6633 1 44 . 1 1 3 3 C C2' C 13 73.7 0.5 . . . . . . . . . . 6633 1 45 . 1 1 3 3 C C3' C 13 70.3 0.5 . . . . . . . . . . 6633 1 46 . 1 1 3 3 C C4' C 13 79.7 0.5 . . . . . . . . . . 6633 1 47 . 1 1 3 3 C C5' C 13 62.5 0.5 . . . . . . . . . . 6633 1 48 . 1 1 4 4 G H8 H 1 7.58 0.05 . . . . . . . . . . 6633 1 49 . 1 1 4 4 G H1' H 1 5.73 0.05 . . . . . . . . . . 6633 1 50 . 1 1 4 4 G H2' H 1 4.44 0.05 . . . . . . . . . . 6633 1 51 . 1 1 4 4 G H3' H 1 4.78 0.05 . . . . . . . . . . 6633 1 52 . 1 1 4 4 G H4' H 1 4.55 0.05 . . . . . . . . . . 6633 1 53 . 1 1 4 4 G H5' H 1 4.17 0.05 . . . . . . . . . . 6633 1 54 . 1 1 4 4 G H5'' H 1 4.39 0.05 . . . . . . . . . . 6633 1 55 . 1 1 4 4 G H1 H 1 10.43 0.05 . . . . . . . . . . 6633 1 56 . 1 1 4 4 G C8 C 13 135.6 0.5 . . . . . . . . . . 6633 1 57 . 1 1 4 4 G C1' C 13 91 0.5 . . . . . . . . . . 6633 1 58 . 1 1 4 4 G C2' C 13 71.8 0.5 . . . . . . . . . . 6633 1 59 . 1 1 4 4 G C3' C 13 72.8 0.5 . . . . . . . . . . 6633 1 60 . 1 1 4 4 G C4' C 13 80.6 0.5 . . . . . . . . . . 6633 1 61 . 1 1 4 4 G C5' C 13 65.4 0.5 . . . . . . . . . . 6633 1 62 . 1 1 4 4 G N1 N 15 140.4 0.5 . . . . . . . . . . 6633 1 63 . 1 1 5 5 A H8 H 1 7.84 0.05 . . . . . . . . . . 6633 1 64 . 1 1 5 5 A H2 H 1 8.01 0.05 . . . . . . . . . . 6633 1 65 . 1 1 5 5 A H1' H 1 5.93 0.05 . . . . . . . . . . 6633 1 66 . 1 1 5 5 A H2' H 1 4.48 0.05 . . . . . . . . . . 6633 1 67 . 1 1 5 5 A H3' H 1 4.69 0.05 . . . . . . . . . . 6633 1 68 . 1 1 5 5 A H4' H 1 4.52 0.05 . . . . . . . . . . 6633 1 69 . 1 1 5 5 A H5' H 1 4.18 0.05 . . . . . . . . . . 6633 1 70 . 1 1 5 5 A H5'' H 1 4.57 0.05 . . . . . . . . . . 6633 1 71 . 1 1 5 5 A C8 C 13 137.9 0.5 . . . . . . . . . . 6633 1 72 . 1 1 5 5 A C2 C 13 152.5 0.5 . . . . . . . . . . 6633 1 73 . 1 1 5 5 A C1' C 13 90.8 0.5 . . . . . . . . . . 6633 1 74 . 1 1 5 5 A C2' C 13 73.4 0.5 . . . . . . . . . . 6633 1 75 . 1 1 5 5 A C3' C 13 70.4 0.5 . . . . . . . . . . 6633 1 76 . 1 1 5 5 A C4' C 13 82.5 0.5 . . . . . . . . . . 6633 1 77 . 1 1 5 5 A C5' C 13 62.4 0.5 . . . . . . . . . . 6633 1 78 . 1 1 6 6 U H6 H 1 7.58 0.05 . . . . . . . . . . 6633 1 79 . 1 1 6 6 U H5 H 1 5.27 0.05 . . . . . . . . . . 6633 1 80 . 1 1 6 6 U H1' H 1 5.73 0.05 . . . . . . . . . . 6633 1 81 . 1 1 6 6 U H2' H 1 4.44 0.05 . . . . . . . . . . 6633 1 82 . 1 1 6 6 U H3' H 1 4.63 0.05 . . . . . . . . . . 6633 1 83 . 1 1 6 6 U H4' H 1 4.54 0.05 . . . . . . . . . . 6633 1 84 . 1 1 6 6 U H5' H 1 4.14 0.05 . . . . . . . . . . 6633 1 85 . 1 1 6 6 U H5'' H 1 4.48 0.05 . . . . . . . . . . 6633 1 86 . 1 1 6 6 U C6 C 13 140 0.5 . . . . . . . . . . 6633 1 87 . 1 1 6 6 U C5 C 13 101.9 0.5 . . . . . . . . . . 6633 1 88 . 1 1 6 6 U C1' C 13 90.5 0.5 . . . . . . . . . . 6633 1 89 . 1 1 6 6 U C2' C 13 73.6 0.5 . . . . . . . . . . 6633 1 90 . 1 1 6 6 U C3' C 13 72.3 0.5 . . . . . . . . . . 6633 1 91 . 1 1 6 6 U C4' C 13 81.3 0.5 . . . . . . . . . . 6633 1 92 . 1 1 6 6 U C5' C 13 63.6 0.5 . . . . . . . . . . 6633 1 93 . 1 1 7 7 C H6 H 1 7.97 0.05 . . . . . . . . . . 6633 1 94 . 1 1 7 7 C H5 H 1 5.96 0.05 . . . . . . . . . . 6633 1 95 . 1 1 7 7 C H1' H 1 5.51 0.05 . . . . . . . . . . 6633 1 96 . 1 1 7 7 C H2' H 1 4.45 0.05 . . . . . . . . . . 6633 1 97 . 1 1 7 7 C H3' H 1 4.44 0.05 . . . . . . . . . . 6633 1 98 . 1 1 7 7 C H4' H 1 4.47 0.05 . . . . . . . . . . 6633 1 99 . 1 1 7 7 C H5' H 1 4.17 0.05 . . . . . . . . . . 6633 1 100 . 1 1 7 7 C H5'' H 1 4.39 0.05 . . . . . . . . . . 6633 1 101 . 1 1 7 7 C H41 H 1 6.89 0.05 . . . . . . . . . . 6633 1 102 . 1 1 7 7 C H42 H 1 8.46 0.05 . . . . . . . . . . 6633 1 103 . 1 1 7 7 C C6 C 13 140.3 0.5 . . . . . . . . . . 6633 1 104 . 1 1 7 7 C C5 C 13 95.9 0.5 . . . . . . . . . . 6633 1 105 . 1 1 7 7 C C1' C 13 92.3 0.5 . . . . . . . . . . 6633 1 106 . 1 1 7 7 C C2' C 13 71.1 0.5 . . . . . . . . . . 6633 1 107 . 1 1 7 7 C C3' C 13 71.1 0.5 . . . . . . . . . . 6633 1 108 . 1 1 7 7 C C4' C 13 80.4 0.5 . . . . . . . . . . 6633 1 109 . 1 1 7 7 C C5' C 13 64.1 0.5 . . . . . . . . . . 6633 1 110 . 1 1 8 8 U H6 H 1 7.94 0.05 . . . . . . . . . . 6633 1 111 . 1 1 8 8 U H5 H 1 5.49 0.05 . . . . . . . . . . 6633 1 112 . 1 1 8 8 U H1' H 1 5.53 0.05 . . . . . . . . . . 6633 1 113 . 1 1 8 8 U H2' H 1 4.62 0.05 . . . . . . . . . . 6633 1 114 . 1 1 8 8 U H3' H 1 4.65 0.05 . . . . . . . . . . 6633 1 115 . 1 1 8 8 U H4' H 1 4.44 0.05 . . . . . . . . . . 6633 1 116 . 1 1 8 8 U H5' H 1 4.18 0.05 . . . . . . . . . . 6633 1 117 . 1 1 8 8 U H5'' H 1 4.56 0.05 . . . . . . . . . . 6633 1 118 . 1 1 8 8 U H3 H 1 13.38 0.05 . . . . . . . . . . 6633 1 119 . 1 1 8 8 U C6 C 13 140 0.5 . . . . . . . . . . 6633 1 120 . 1 1 8 8 U C5 C 13 101.7 0.5 . . . . . . . . . . 6633 1 121 . 1 1 8 8 U C1' C 13 91.4 0.5 . . . . . . . . . . 6633 1 122 . 1 1 8 8 U C2' C 13 73 0.5 . . . . . . . . . . 6633 1 123 . 1 1 8 8 U C3' C 13 70.1 0.5 . . . . . . . . . . 6633 1 124 . 1 1 8 8 U C4' C 13 80.1 0.5 . . . . . . . . . . 6633 1 125 . 1 1 8 8 U C5' C 13 62.6 0.5 . . . . . . . . . . 6633 1 126 . 1 1 8 8 U N3 N 15 159.8 0.5 . . . . . . . . . . 6633 1 127 . 1 1 9 9 G H8 H 1 7.72 0.05 . . . . . . . . . . 6633 1 128 . 1 1 9 9 G H1' H 1 5.81 0.05 . . . . . . . . . . 6633 1 129 . 1 1 9 9 G H2' H 1 4.59 0.05 . . . . . . . . . . 6633 1 130 . 1 1 9 9 G H3' H 1 4.64 0.05 . . . . . . . . . . 6633 1 131 . 1 1 9 9 G H4' H 1 4.52 0.05 . . . . . . . . . . 6633 1 132 . 1 1 9 9 G H5' H 1 4.20 0.05 . . . . . . . . . . 6633 1 133 . 1 1 9 9 G H5'' H 1 4.51 0.05 . . . . . . . . . . 6633 1 134 . 1 1 9 9 G H1 H 1 12.05 0.05 . . . . . . . . . . 6633 1 135 . 1 1 9 9 G C8 C 13 134.5 0.5 . . . . . . . . . . 6633 1 136 . 1 1 9 9 G C1' C 13 90 0.5 . . . . . . . . . . 6633 1 137 . 1 1 9 9 G C2' C 13 73.3 0.5 . . . . . . . . . . 6633 1 138 . 1 1 9 9 G C3' C 13 70.7 0.5 . . . . . . . . . . 6633 1 139 . 1 1 9 9 G C4' C 13 80.4 0.5 . . . . . . . . . . 6633 1 140 . 1 1 9 9 G C5' C 13 63.4 0.5 . . . . . . . . . . 6633 1 141 . 1 1 9 9 G N1 N 15 144.3 0.5 . . . . . . . . . . 6633 1 142 . 1 1 10 10 G H8 H 1 7.32 0.05 . . . . . . . . . . 6633 1 143 . 1 1 10 10 G H1' H 1 5.71 0.05 . . . . . . . . . . 6633 1 144 . 1 1 10 10 G H2' H 1 4.48 0.05 . . . . . . . . . . 6633 1 145 . 1 1 10 10 G H3' H 1 4.38 0.05 . . . . . . . . . . 6633 1 146 . 1 1 10 10 G H4' H 1 4.47 0.05 . . . . . . . . . . 6633 1 147 . 1 1 10 10 G H5' H 1 4.12 0.05 . . . . . . . . . . 6633 1 148 . 1 1 10 10 G H5'' H 1 4.55 0.05 . . . . . . . . . . 6633 1 149 . 1 1 10 10 G H1 H 1 13.29 0.05 . . . . . . . . . . 6633 1 150 . 1 1 10 10 G C8 C 13 134.1 0.5 . . . . . . . . . . 6633 1 151 . 1 1 10 10 G C1' C 13 91 0.5 . . . . . . . . . . 6633 1 152 . 1 1 10 10 G C2' C 13 73 0.5 . . . . . . . . . . 6633 1 153 . 1 1 10 10 G C3' C 13 70.3 0.5 . . . . . . . . . . 6633 1 154 . 1 1 10 10 G C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 155 . 1 1 10 10 G C5' C 13 63 0.5 . . . . . . . . . . 6633 1 156 . 1 1 10 10 G N1 N 15 146.5 0.5 . . . . . . . . . . 6633 1 157 . 1 1 11 11 C H6 H 1 7.61 0.05 . . . . . . . . . . 6633 1 158 . 1 1 11 11 C H5 H 1 5.2 0.05 . . . . . . . . . . 6633 1 159 . 1 1 11 11 C H1' H 1 5.59 0.05 . . . . . . . . . . 6633 1 160 . 1 1 11 11 C H2' H 1 4.49 0.05 . . . . . . . . . . 6633 1 161 . 1 1 11 11 C H3' H 1 4.48 0.05 . . . . . . . . . . 6633 1 162 . 1 1 11 11 C H4' H 1 4.46 0.05 . . . . . . . . . . 6633 1 163 . 1 1 11 11 C H5' H 1 4.11 0.05 . . . . . . . . . . 6633 1 164 . 1 1 11 11 C H5'' H 1 4.53 0.05 . . . . . . . . . . 6633 1 165 . 1 1 11 11 C H41 H 1 7.00 0.05 . . . . . . . . . . 6633 1 166 . 1 1 11 11 C H42 H 1 8.73 0.05 . . . . . . . . . . 6633 1 167 . 1 1 11 11 C C6 C 13 139 0.5 . . . . . . . . . . 6633 1 168 . 1 1 11 11 C C5 C 13 95 0.5 . . . . . . . . . . 6633 1 169 . 1 1 11 11 C C1' C 13 92 0.5 . . . . . . . . . . 6633 1 170 . 1 1 11 11 C C2' C 13 73 0.5 . . . . . . . . . . 6633 1 171 . 1 1 11 11 C C3' C 13 70.1 0.5 . . . . . . . . . . 6633 1 172 . 1 1 11 11 C C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 173 . 1 1 11 11 C C5' C 13 62.2 0.5 . . . . . . . . . . 6633 1 174 . 1 1 12 12 C H6 H 1 7.75 0.05 . . . . . . . . . . 6633 1 175 . 1 1 12 12 C H5 H 1 5.73 0.05 . . . . . . . . . . 6633 1 176 . 1 1 12 12 C H1' H 1 5.58 0.05 . . . . . . . . . . 6633 1 177 . 1 1 12 12 C H2' H 1 4.5 0.05 . . . . . . . . . . 6633 1 178 . 1 1 12 12 C H3' H 1 4.47 0.05 . . . . . . . . . . 6633 1 179 . 1 1 12 12 C H4' H 1 4.48 0.05 . . . . . . . . . . 6633 1 180 . 1 1 12 12 C H5' H 1 4.14 0.05 . . . . . . . . . . 6633 1 181 . 1 1 12 12 C H5'' H 1 4.58 0.05 . . . . . . . . . . 6633 1 182 . 1 1 12 12 C H41 H 1 7.00 0.05 . . . . . . . . . . 6633 1 183 . 1 1 12 12 C H42 H 1 8.58 0.05 . . . . . . . . . . 6633 1 184 . 1 1 12 12 C C6 C 13 139.4 0.5 . . . . . . . . . . 6633 1 185 . 1 1 12 12 C C5 C 13 96.7 0.5 . . . . . . . . . . 6633 1 186 . 1 1 12 12 C C1' C 13 91.9 0.5 . . . . . . . . . . 6633 1 187 . 1 1 12 12 C C2' C 13 73.1 0.5 . . . . . . . . . . 6633 1 188 . 1 1 12 12 C C3' C 13 70.2 0.5 . . . . . . . . . . 6633 1 189 . 1 1 12 12 C C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 190 . 1 1 12 12 C C5' C 13 62.2 0.5 . . . . . . . . . . 6633 1 191 . 1 1 13 13 U H6 H 1 7.92 0.05 . . . . . . . . . . 6633 1 192 . 1 1 13 13 U H5 H 1 5.45 0.05 . . . . . . . . . . 6633 1 193 . 1 1 13 13 U H1' H 1 5.58 0.05 . . . . . . . . . . 6633 1 194 . 1 1 13 13 U H2' H 1 4.51 0.05 . . . . . . . . . . 6633 1 195 . 1 1 13 13 U H3' H 1 4.62 0.05 . . . . . . . . . . 6633 1 196 . 1 1 13 13 U H4' H 1 4.48 0.05 . . . . . . . . . . 6633 1 197 . 1 1 13 13 U H5' H 1 4.10 0.05 . . . . . . . . . . 6633 1 198 . 1 1 13 13 U H5'' H 1 4.54 0.05 . . . . . . . . . . 6633 1 199 . 1 1 13 13 U H3 H 1 13.94 0.05 . . . . . . . . . . 6633 1 200 . 1 1 13 13 U C6 C 13 140.7 0.5 . . . . . . . . . . 6633 1 201 . 1 1 13 13 U C5 C 13 101.1 0.5 . . . . . . . . . . 6633 1 202 . 1 1 13 13 U C1' C 13 91.9 0.5 . . . . . . . . . . 6633 1 203 . 1 1 13 13 U C2' C 13 73.3 0.5 . . . . . . . . . . 6633 1 204 . 1 1 13 13 U C3' C 13 69.9 0.5 . . . . . . . . . . 6633 1 205 . 1 1 13 13 U C4' C 13 81.3 0.5 . . . . . . . . . . 6633 1 206 . 1 1 13 13 U C5' C 13 62 0.5 . . . . . . . . . . 6633 1 207 . 1 1 13 13 U N3 N 15 160 0.5 . . . . . . . . . . 6633 1 208 . 1 1 14 14 U H6 H 1 8.08 0.05 . . . . . . . . . . 6633 1 209 . 1 1 14 14 U H5 H 1 5.62 0.05 . . . . . . . . . . 6633 1 210 . 1 1 14 14 U H1' H 1 5.68 0.05 . . . . . . . . . . 6633 1 211 . 1 1 14 14 U H2' H 1 4.48 0.05 . . . . . . . . . . 6633 1 212 . 1 1 14 14 U H3' H 1 4.59 0.05 . . . . . . . . . . 6633 1 213 . 1 1 14 14 U H4' H 1 4.5 0.05 . . . . . . . . . . 6633 1 214 . 1 1 14 14 U H5' H 1 4.16 0.05 . . . . . . . . . . 6633 1 215 . 1 1 14 14 U H5'' H 1 4.60 0.05 . . . . . . . . . . 6633 1 216 . 1 1 14 14 U H3 H 1 13.78 0.05 . . . . . . . . . . 6633 1 217 . 1 1 14 14 U C6 C 13 140.8 0.5 . . . . . . . . . . 6633 1 218 . 1 1 14 14 U C5 C 13 100.7 0.5 . . . . . . . . . . 6633 1 219 . 1 1 14 14 U C1' C 13 91.4 0.5 . . . . . . . . . . 6633 1 220 . 1 1 14 14 U C2' C 13 73.1 0.5 . . . . . . . . . . 6633 1 221 . 1 1 14 14 U C3' C 13 70.2 0.5 . . . . . . . . . . 6633 1 222 . 1 1 14 14 U C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 223 . 1 1 14 14 U C5' C 13 62.1 0.5 . . . . . . . . . . 6633 1 224 . 1 1 14 14 U N3 N 15 160.7 0.5 . . . . . . . . . . 6633 1 225 . 1 1 15 15 C H6 H 1 7.86 0.05 . . . . . . . . . . 6633 1 226 . 1 1 15 15 C H5 H 1 5.63 0.05 . . . . . . . . . . 6633 1 227 . 1 1 15 15 C H1' H 1 5.53 0.05 . . . . . . . . . . 6633 1 228 . 1 1 15 15 C H2' H 1 4.31 0.05 . . . . . . . . . . 6633 1 229 . 1 1 15 15 C H3' H 1 4.47 0.05 . . . . . . . . . . 6633 1 230 . 1 1 15 15 C H4' H 1 4.47 0.05 . . . . . . . . . . 6633 1 231 . 1 1 15 15 C H5' H 1 4.57 0.05 . . . . . . . . . . 6633 1 232 . 1 1 15 15 C H5'' H 1 4.14 0.05 . . . . . . . . . . 6633 1 233 . 1 1 15 15 C H41 H 1 7.00 0.05 . . . . . . . . . . 6633 1 234 . 1 1 15 15 C H42 H 1 8.29 0.05 . . . . . . . . . . 6633 1 235 . 1 1 15 15 C C6 C 13 139.8 0.5 . . . . . . . . . . 6633 1 236 . 1 1 15 15 C C5 C 13 96 0.5 . . . . . . . . . . 6633 1 237 . 1 1 15 15 C C1' C 13 91.8 0.5 . . . . . . . . . . 6633 1 238 . 1 1 15 15 C C2' C 13 73.2 0.5 . . . . . . . . . . 6633 1 239 . 1 1 15 15 C C3' C 13 70.2 0.5 . . . . . . . . . . 6633 1 240 . 1 1 15 15 C C4' C 13 79.7 0.5 . . . . . . . . . . 6633 1 241 . 1 1 15 15 C C5' C 13 62.4 0.5 . . . . . . . . . . 6633 1 242 . 1 1 16 16 C H6 H 1 7.65 0.05 . . . . . . . . . . 6633 1 243 . 1 1 16 16 C H5 H 1 5.39 0.05 . . . . . . . . . . 6633 1 244 . 1 1 16 16 C H1' H 1 5.42 0.05 . . . . . . . . . . 6633 1 245 . 1 1 16 16 C H2' H 1 4.42 0.05 . . . . . . . . . . 6633 1 246 . 1 1 16 16 C H3' H 1 4.38 0.05 . . . . . . . . . . 6633 1 247 . 1 1 16 16 C H4' H 1 4.37 0.05 . . . . . . . . . . 6633 1 248 . 1 1 16 16 C H5' H 1 4.52 0.05 . . . . . . . . . . 6633 1 249 . 1 1 16 16 C H5'' H 1 4.05 0.05 . . . . . . . . . . 6633 1 250 . 1 1 16 16 C H41 H 1 6.78 0.05 . . . . . . . . . . 6633 1 251 . 1 1 16 16 C H42 H 1 8.26 0.05 . . . . . . . . . . 6633 1 252 . 1 1 16 16 C C6 C 13 139.3 0.5 . . . . . . . . . . 6633 1 253 . 1 1 16 16 C C5 C 13 95.1 0.5 . . . . . . . . . . 6633 1 254 . 1 1 16 16 C C1' C 13 91.8 0.5 . . . . . . . . . . 6633 1 255 . 1 1 16 16 C C2' C 13 73.2 0.5 . . . . . . . . . . 6633 1 256 . 1 1 16 16 C C3' C 13 69.9 0.5 . . . . . . . . . . 6633 1 257 . 1 1 16 16 C C4' C 13 79.8 0.5 . . . . . . . . . . 6633 1 258 . 1 1 16 16 C C5' C 13 62 0.5 . . . . . . . . . . 6633 1 259 . 1 1 17 17 U H6 H 1 7.69 0.05 . . . . . . . . . . 6633 1 260 . 1 1 17 17 U H5 H 1 5.53 0.05 . . . . . . . . . . 6633 1 261 . 1 1 17 17 U H1' H 1 5.62 0.05 . . . . . . . . . . 6633 1 262 . 1 1 17 17 U H2' H 1 4.36 0.05 . . . . . . . . . . 6633 1 263 . 1 1 17 17 U H3' H 1 4.48 0.05 . . . . . . . . . . 6633 1 264 . 1 1 17 17 U H4' H 1 4.47 0.05 . . . . . . . . . . 6633 1 265 . 1 1 17 17 U H5' H 1 4.11 0.05 . . . . . . . . . . 6633 1 266 . 1 1 17 17 U H5'' H 1 4.58 0.05 . . . . . . . . . . 6633 1 267 . 1 1 17 17 U H3 H 1 11.6 0.05 . . . . . . . . . . 6633 1 268 . 1 1 17 17 U C6 C 13 140.7 0.5 . . . . . . . . . . 6633 1 269 . 1 1 17 17 U C5 C 13 102.5 0.5 . . . . . . . . . . 6633 1 270 . 1 1 17 17 U C1' C 13 90.3 0.5 . . . . . . . . . . 6633 1 271 . 1 1 17 17 U C2' C 13 70.1 0.5 . . . . . . . . . . 6633 1 272 . 1 1 17 17 U C3' C 13 73.2 0.5 . . . . . . . . . . 6633 1 273 . 1 1 17 17 U C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 274 . 1 1 17 17 U C5' C 13 63.5 0.5 . . . . . . . . . . 6633 1 275 . 1 1 17 17 U N3 N 15 154.9 0.5 . . . . . . . . . . 6633 1 276 . 1 1 18 18 A H8 H 1 8.25 0.05 . . . . . . . . . . 6633 1 277 . 1 1 18 18 A H2 H 1 7.8 0.05 . . . . . . . . . . 6633 1 278 . 1 1 18 18 A H1' H 1 5.81 0.05 . . . . . . . . . . 6633 1 279 . 1 1 18 18 A H2' H 1 4.58 0.05 . . . . . . . . . . 6633 1 280 . 1 1 18 18 A H3' H 1 4.65 0.05 . . . . . . . . . . 6633 1 281 . 1 1 18 18 A H4' H 1 4.51 0.05 . . . . . . . . . . 6633 1 282 . 1 1 18 18 A H5' H 1 4.51 0.05 . . . . . . . . . . 6633 1 283 . 1 1 18 18 A H5'' H 1 4.11 0.05 . . . . . . . . . . 6633 1 284 . 1 1 18 18 A C8 C 13 138.9 0.5 . . . . . . . . . . 6633 1 285 . 1 1 18 18 A C2 C 13 153.2 0.5 . . . . . . . . . . 6633 1 286 . 1 1 18 18 A C1' C 13 90.6 0.5 . . . . . . . . . . 6633 1 287 . 1 1 18 18 A C2' C 13 70.3 0.5 . . . . . . . . . . 6633 1 288 . 1 1 18 18 A C3' C 13 70.5 0.5 . . . . . . . . . . 6633 1 289 . 1 1 18 18 A C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 290 . 1 1 18 18 A C5' C 13 62.8 0.5 . . . . . . . . . . 6633 1 291 . 1 1 19 19 C H6 H 1 7.57 0.05 . . . . . . . . . . 6633 1 292 . 1 1 19 19 C H5 H 1 5.7 0.05 . . . . . . . . . . 6633 1 293 . 1 1 19 19 C H1' H 1 5.72 0.05 . . . . . . . . . . 6633 1 294 . 1 1 19 19 C H2' H 1 4.12 0.05 . . . . . . . . . . 6633 1 295 . 1 1 19 19 C H3' H 1 4.45 0.05 . . . . . . . . . . 6633 1 296 . 1 1 19 19 C H4' H 1 3.99 0.05 . . . . . . . . . . 6633 1 297 . 1 1 19 19 C H5' H 1 3.94 0.05 . . . . . . . . . . 6633 1 298 . 1 1 19 19 C H5'' H 1 4.01 0.05 . . . . . . . . . . 6633 1 299 . 1 1 19 19 C C6 C 13 141.1 0.5 . . . . . . . . . . 6633 1 300 . 1 1 19 19 C C5 C 13 95.4 0.5 . . . . . . . . . . 6633 1 301 . 1 1 19 19 C C1' C 13 88.1 0.5 . . . . . . . . . . 6633 1 302 . 1 1 19 19 C C2' C 13 74 0.5 . . . . . . . . . . 6633 1 303 . 1 1 19 19 C C3' C 13 75 0.5 . . . . . . . . . . 6633 1 304 . 1 1 19 19 C C4' C 13 82.1 0.5 . . . . . . . . . . 6633 1 305 . 1 1 19 19 C C5' C 13 64.9 0.5 . . . . . . . . . . 6633 1 306 . 1 1 20 20 A H8 H 1 8.1 0.05 . . . . . . . . . . 6633 1 307 . 1 1 20 20 A H2 H 1 7.96 0.05 . . . . . . . . . . 6633 1 308 . 1 1 20 20 A H1' H 1 5.75 0.05 . . . . . . . . . . 6633 1 309 . 1 1 20 20 A H2' H 1 4.59 0.05 . . . . . . . . . . 6633 1 310 . 1 1 20 20 A H3' H 1 4.74 0.05 . . . . . . . . . . 6633 1 311 . 1 1 20 20 A H4' H 1 4.36 0.05 . . . . . . . . . . 6633 1 312 . 1 1 20 20 A H5' H 1 4.00 0.05 . . . . . . . . . . 6633 1 313 . 1 1 20 20 A H5'' H 1 3.97 0.05 . . . . . . . . . . 6633 1 314 . 1 1 20 20 A C8 C 13 139.7 0.5 . . . . . . . . . . 6633 1 315 . 1 1 20 20 A C2 C 13 153.1 0.5 . . . . . . . . . . 6633 1 316 . 1 1 20 20 A C1' C 13 87.7 0.5 . . . . . . . . . . 6633 1 317 . 1 1 20 20 A C2' C 13 74.1 0.5 . . . . . . . . . . 6633 1 318 . 1 1 20 20 A C3' C 13 74.9 0.5 . . . . . . . . . . 6633 1 319 . 1 1 20 20 A C4' C 13 82.6 0.5 . . . . . . . . . . 6633 1 320 . 1 1 20 20 A C5' C 13 65.6 0.5 . . . . . . . . . . 6633 1 321 . 1 1 21 21 A H8 H 1 8.32 0.05 . . . . . . . . . . 6633 1 322 . 1 1 21 21 A H2 H 1 8.03 0.05 . . . . . . . . . . 6633 1 323 . 1 1 21 21 A H1' H 1 6.07 0.05 . . . . . . . . . . 6633 1 324 . 1 1 21 21 A H2' H 1 4.88 0.05 . . . . . . . . . . 6633 1 325 . 1 1 21 21 A H3' H 1 4.95 0.05 . . . . . . . . . . 6633 1 326 . 1 1 21 21 A H4' H 1 4.64 0.05 . . . . . . . . . . 6633 1 327 . 1 1 21 21 A H5' H 1 4.29 0.05 . . . . . . . . . . 6633 1 328 . 1 1 21 21 A H5'' H 1 4.36 0.05 . . . . . . . . . . 6633 1 329 . 1 1 21 21 A C8 C 13 140 0.5 . . . . . . . . . . 6633 1 330 . 1 1 21 21 A C2 C 13 153.1 0.5 . . . . . . . . . . 6633 1 331 . 1 1 21 21 A C1' C 13 87.9 0.5 . . . . . . . . . . 6633 1 332 . 1 1 21 21 A C2' C 13 74.2 0.5 . . . . . . . . . . 6633 1 333 . 1 1 21 21 A C3' C 13 69.9 0.5 . . . . . . . . . . 6633 1 334 . 1 1 21 21 A C4' C 13 82.4 0.5 . . . . . . . . . . 6633 1 335 . 1 1 21 21 A C5' C 13 65.1 0.5 . . . . . . . . . . 6633 1 336 . 1 1 22 22 G H8 H 1 7.86 0.05 . . . . . . . . . . 6633 1 337 . 1 1 22 22 G H1' H 1 5.59 0.05 . . . . . . . . . . 6633 1 338 . 1 1 22 22 G H2' H 1 4.76 0.05 . . . . . . . . . . 6633 1 339 . 1 1 22 22 G H3' H 1 4.49 0.05 . . . . . . . . . . 6633 1 340 . 1 1 22 22 G H4' H 1 4.59 0.05 . . . . . . . . . . 6633 1 341 . 1 1 22 22 G H5' H 1 3.96 0.05 . . . . . . . . . . 6633 1 342 . 1 1 22 22 G H5'' H 1 4.05 0.05 . . . . . . . . . . 6633 1 343 . 1 1 22 22 G H1 H 1 11.61 0.05 . . . . . . . . . . 6633 1 344 . 1 1 22 22 G C8 C 13 136.7 0.5 . . . . . . . . . . 6633 1 345 . 1 1 22 22 G C1' C 13 91.9 0.5 . . . . . . . . . . 6633 1 346 . 1 1 22 22 G C2' C 13 73.2 0.5 . . . . . . . . . . 6633 1 347 . 1 1 22 22 G C3' C 13 70 0.5 . . . . . . . . . . 6633 1 348 . 1 1 22 22 G C4' C 13 81.3 0.5 . . . . . . . . . . 6633 1 349 . 1 1 22 22 G C5' C 13 62.1 0.5 . . . . . . . . . . 6633 1 350 . 1 1 22 22 G N1 N 15 141.2 0.5 . . . . . . . . . . 6633 1 351 . 1 1 23 23 G H8 H 1 7.32 0.05 . . . . . . . . . . 6633 1 352 . 1 1 23 23 G H1' H 1 5.62 0.05 . . . . . . . . . . 6633 1 353 . 1 1 23 23 G H2' H 1 4.55 0.05 . . . . . . . . . . 6633 1 354 . 1 1 23 23 G H3' H 1 4.47 0.05 . . . . . . . . . . 6633 1 355 . 1 1 23 23 G H4' H 1 4.51 0.05 . . . . . . . . . . 6633 1 356 . 1 1 23 23 G H5' H 1 4.09 0.05 . . . . . . . . . . 6633 1 357 . 1 1 23 23 G H5'' H 1 4.45 0.05 . . . . . . . . . . 6633 1 358 . 1 1 23 23 G H1 H 1 12.5 0.05 . . . . . . . . . . 6633 1 359 . 1 1 23 23 G C8 C 13 134.6 0.5 . . . . . . . . . . 6633 1 360 . 1 1 23 23 G C1' C 13 90.7 0.5 . . . . . . . . . . 6633 1 361 . 1 1 23 23 G C2' C 13 71.2 0.5 . . . . . . . . . . 6633 1 362 . 1 1 23 23 G C3' C 13 73.4 0.5 . . . . . . . . . . 6633 1 363 . 1 1 23 23 G C4' C 13 80.9 0.5 . . . . . . . . . . 6633 1 364 . 1 1 23 23 G C5' C 13 62.6 0.5 . . . . . . . . . . 6633 1 365 . 1 1 23 23 G N1 N 15 144.6 0.5 . . . . . . . . . . 6633 1 366 . 1 1 24 24 G H8 H 1 7.17 0.05 . . . . . . . . . . 6633 1 367 . 1 1 24 24 G H1' H 1 5.82 0.05 . . . . . . . . . . 6633 1 368 . 1 1 24 24 G H2' H 1 4.62 0.05 . . . . . . . . . . 6633 1 369 . 1 1 24 24 G H3' H 1 4.53 0.05 . . . . . . . . . . 6633 1 370 . 1 1 24 24 G H4' H 1 4.5 0.05 . . . . . . . . . . 6633 1 371 . 1 1 24 24 G H5' H 1 4.40 0.05 . . . . . . . . . . 6633 1 372 . 1 1 24 24 G H5'' H 1 4.16 0.05 . . . . . . . . . . 6633 1 373 . 1 1 24 24 G H1 H 1 12.22 0.05 . . . . . . . . . . 6633 1 374 . 1 1 24 24 G C8 C 13 134.3 0.5 . . . . . . . . . . 6633 1 375 . 1 1 24 24 G C1' C 13 88.9 0.5 . . . . . . . . . . 6633 1 376 . 1 1 24 24 G C2' C 13 73.4 0.5 . . . . . . . . . . 6633 1 377 . 1 1 24 24 G C3' C 13 73.2 0.5 . . . . . . . . . . 6633 1 378 . 1 1 24 24 G C4' C 13 82 0.5 . . . . . . . . . . 6633 1 379 . 1 1 24 24 G C5' C 13 63.9 0.5 . . . . . . . . . . 6633 1 380 . 1 1 24 24 G N1 N 15 144.9 0.5 . . . . . . . . . . 6633 1 381 . 1 1 25 25 A H8 H 1 7.63 0.05 . . . . . . . . . . 6633 1 382 . 1 1 25 25 A H2 H 1 7.14 0.05 . . . . . . . . . . 6633 1 383 . 1 1 25 25 A H1' H 1 5.95 0.05 . . . . . . . . . . 6633 1 384 . 1 1 25 25 A H2' H 1 4.65 0.05 . . . . . . . . . . 6633 1 385 . 1 1 25 25 A H3' H 1 4.63 0.05 . . . . . . . . . . 6633 1 386 . 1 1 25 25 A H4' H 1 4.53 0.05 . . . . . . . . . . 6633 1 387 . 1 1 25 25 A H5' H 1 4.59 0.05 . . . . . . . . . . 6633 1 388 . 1 1 25 25 A H5'' H 1 4.15 0.05 . . . . . . . . . . 6633 1 389 . 1 1 25 25 A C8 C 13 137 0.5 . . . . . . . . . . 6633 1 390 . 1 1 25 25 A C2 C 13 150.9 0.5 . . . . . . . . . . 6633 1 391 . 1 1 25 25 A C1' C 13 90.6 0.5 . . . . . . . . . . 6633 1 392 . 1 1 25 25 A C2' C 13 73.2 0.5 . . . . . . . . . . 6633 1 393 . 1 1 25 25 A C3' C 13 70.8 0.5 . . . . . . . . . . 6633 1 394 . 1 1 25 25 A C4' C 13 80.2 0.5 . . . . . . . . . . 6633 1 395 . 1 1 25 25 A C5' C 13 63.7 0.5 . . . . . . . . . . 6633 1 396 . 1 1 26 26 A H8 H 1 7.64 0.05 . . . . . . . . . . 6633 1 397 . 1 1 26 26 A H2 H 1 7.49 0.05 . . . . . . . . . . 6633 1 398 . 1 1 26 26 A H1' H 1 5.94 0.05 . . . . . . . . . . 6633 1 399 . 1 1 26 26 A H2' H 1 4.66 0.05 . . . . . . . . . . 6633 1 400 . 1 1 26 26 A H3' H 1 4.66 0.05 . . . . . . . . . . 6633 1 401 . 1 1 26 26 A H4' H 1 4.5 0.05 . . . . . . . . . . 6633 1 402 . 1 1 26 26 A H5' H 1 4.59 0.05 . . . . . . . . . . 6633 1 403 . 1 1 26 26 A H5'' H 1 4.15 0.05 . . . . . . . . . . 6633 1 404 . 1 1 26 26 A C8 C 13 137.3 0.5 . . . . . . . . . . 6633 1 405 . 1 1 26 26 A C2 C 13 151.1 0.5 . . . . . . . . . . 6633 1 406 . 1 1 26 26 A C1' C 13 90.3 0.5 . . . . . . . . . . 6633 1 407 . 1 1 26 26 A C2' C 13 73.4 0.5 . . . . . . . . . . 6633 1 408 . 1 1 26 26 A C3' C 13 70.5 0.5 . . . . . . . . . . 6633 1 409 . 1 1 26 26 A C4' C 13 79.8 0.5 . . . . . . . . . . 6633 1 410 . 1 1 26 26 A C5' C 13 62.6 0.5 . . . . . . . . . . 6633 1 411 . 1 1 27 27 G H8 H 1 7.05 0.05 . . . . . . . . . . 6633 1 412 . 1 1 27 27 G H1' H 1 5.6 0.05 . . . . . . . . . . 6633 1 413 . 1 1 27 27 G H2' H 1 4.55 0.05 . . . . . . . . . . 6633 1 414 . 1 1 27 27 G H3' H 1 4.47 0.05 . . . . . . . . . . 6633 1 415 . 1 1 27 27 G H4' H 1 4.4 0.05 . . . . . . . . . . 6633 1 416 . 1 1 27 27 G H5' H 1 4.12 0.05 . . . . . . . . . . 6633 1 417 . 1 1 27 27 G H5'' H 1 4.58 0.05 . . . . . . . . . . 6633 1 418 . 1 1 27 27 G H1 H 1 12.92 0.05 . . . . . . . . . . 6633 1 419 . 1 1 27 27 G C8 C 13 133.7 0.5 . . . . . . . . . . 6633 1 420 . 1 1 27 27 G C1' C 13 90 0.5 . . . . . . . . . . 6633 1 421 . 1 1 27 27 G C2' C 13 73.3 0.5 . . . . . . . . . . 6633 1 422 . 1 1 27 27 G C3' C 13 69.9 0.5 . . . . . . . . . . 6633 1 423 . 1 1 27 27 G C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 424 . 1 1 27 27 G C5' C 13 62 0.5 . . . . . . . . . . 6633 1 425 . 1 1 27 27 G N1 N 15 145.1 0.5 . . . . . . . . . . 6633 1 426 . 1 1 28 28 G H8 H 1 7.23 0.05 . . . . . . . . . . 6633 1 427 . 1 1 28 28 G H1' H 1 5.79 0.05 . . . . . . . . . . 6633 1 428 . 1 1 28 28 G H2' H 1 4.57 0.05 . . . . . . . . . . 6633 1 429 . 1 1 28 28 G H3' H 1 4.52 0.05 . . . . . . . . . . 6633 1 430 . 1 1 28 28 G H4' H 1 4.49 0.05 . . . . . . . . . . 6633 1 431 . 1 1 28 28 G H5' H 1 4.51 0.05 . . . . . . . . . . 6633 1 432 . 1 1 28 28 G H5'' H 1 4.10 0.05 . . . . . . . . . . 6633 1 433 . 1 1 28 28 G H1 H 1 13.35 0.05 . . . . . . . . . . 6633 1 434 . 1 1 28 28 G C8 C 13 134 0.5 . . . . . . . . . . 6633 1 435 . 1 1 28 28 G C1' C 13 90.7 0.5 . . . . . . . . . . 6633 1 436 . 1 1 28 28 G C2' C 13 73 0.5 . . . . . . . . . . 6633 1 437 . 1 1 28 28 G C3' C 13 70.5 0.5 . . . . . . . . . . 6633 1 438 . 1 1 28 28 G C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 439 . 1 1 28 28 G C5' C 13 62.8 0.5 . . . . . . . . . . 6633 1 440 . 1 1 28 28 G N1 N 15 146.3 0.5 . . . . . . . . . . 6633 1 441 . 1 1 29 29 C H6 H 1 7.61 0.05 . . . . . . . . . . 6633 1 442 . 1 1 29 29 C H5 H 1 5.2 0.05 . . . . . . . . . . 6633 1 443 . 1 1 29 29 C H1' H 1 5.54 0.05 . . . . . . . . . . 6633 1 444 . 1 1 29 29 C H2' H 1 4.46 0.05 . . . . . . . . . . 6633 1 445 . 1 1 29 29 C H3' H 1 4.45 0.05 . . . . . . . . . . 6633 1 446 . 1 1 29 29 C H4' H 1 4.45 0.05 . . . . . . . . . . 6633 1 447 . 1 1 29 29 C H5' H 1 4.05 0.05 . . . . . . . . . . 6633 1 448 . 1 1 29 29 C H5'' H 1 4.5 0.05 . . . . . . . . . . 6633 1 449 . 1 1 29 29 C H41 H 1 6.94 0.05 . . . . . . . . . . 6633 1 450 . 1 1 29 29 C H42 H 1 8.80 0.05 . . . . . . . . . . 6633 1 451 . 1 1 29 29 C C6 C 13 139.1 0.5 . . . . . . . . . . 6633 1 452 . 1 1 29 29 C C5 C 13 95 0.5 . . . . . . . . . . 6633 1 453 . 1 1 29 29 C C1' C 13 91.9 0.5 . . . . . . . . . . 6633 1 454 . 1 1 29 29 C C2' C 13 73.1 0.5 . . . . . . . . . . 6633 1 455 . 1 1 29 29 C C3' C 13 69.6 0.5 . . . . . . . . . . 6633 1 456 . 1 1 29 29 C C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 457 . 1 1 29 29 C C5' C 13 61.9 0.5 . . . . . . . . . . 6633 1 458 . 1 1 30 30 C H6 H 1 7.77 0.05 . . . . . . . . . . 6633 1 459 . 1 1 30 30 C H5 H 1 5.58 0.05 . . . . . . . . . . 6633 1 460 . 1 1 30 30 C H1' H 1 5.45 0.05 . . . . . . . . . . 6633 1 461 . 1 1 30 30 C H2' H 1 4.49 0.05 . . . . . . . . . . 6633 1 462 . 1 1 30 30 C H3' H 1 4.5 0.05 . . . . . . . . . . 6633 1 463 . 1 1 30 30 C H4' H 1 4.4 0.05 . . . . . . . . . . 6633 1 464 . 1 1 30 30 C H5' H 1 4.15 0.05 . . . . . . . . . . 6633 1 465 . 1 1 30 30 C H5'' H 1 4.57 0.05 . . . . . . . . . . 6633 1 466 . 1 1 30 30 C H41 H 1 6.96 0.05 . . . . . . . . . . 6633 1 467 . 1 1 30 30 C H42 H 1 8.42 0.05 . . . . . . . . . . 6633 1 468 . 1 1 30 30 C C6 C 13 139.4 0.5 . . . . . . . . . . 6633 1 469 . 1 1 30 30 C C5 C 13 95.9 0.5 . . . . . . . . . . 6633 1 470 . 1 1 30 30 C C1' C 13 91.9 0.5 . . . . . . . . . . 6633 1 471 . 1 1 30 30 C C2' C 13 73 0.5 . . . . . . . . . . 6633 1 472 . 1 1 30 30 C C3' C 13 70 0.5 . . . . . . . . . . 6633 1 473 . 1 1 30 30 C C4' C 13 79.7 0.5 . . . . . . . . . . 6633 1 474 . 1 1 30 30 C C5' C 13 62.5 0.5 . . . . . . . . . . 6633 1 475 . 1 1 31 31 A H8 H 1 8.04 0.05 . . . . . . . . . . 6633 1 476 . 1 1 31 31 A H2 H 1 7.03 0.05 . . . . . . . . . . 6633 1 477 . 1 1 31 31 A H1' H 1 5.91 0.05 . . . . . . . . . . 6633 1 478 . 1 1 31 31 A H2' H 1 4.71 0.05 . . . . . . . . . . 6633 1 479 . 1 1 31 31 A H3' H 1 4.69 0.05 . . . . . . . . . . 6633 1 480 . 1 1 31 31 A H4' H 1 4.5 0.05 . . . . . . . . . . 6633 1 481 . 1 1 31 31 A H5' H 1 4.16 0.05 . . . . . . . . . . 6633 1 482 . 1 1 31 31 A H5'' H 1 4.57 0.05 . . . . . . . . . . 6633 1 483 . 1 1 31 31 A C8 C 13 137.6 0.5 . . . . . . . . . . 6633 1 484 . 1 1 31 31 A C2 C 13 150.6 0.5 . . . . . . . . . . 6633 1 485 . 1 1 31 31 A C1' C 13 90.7 0.5 . . . . . . . . . . 6633 1 486 . 1 1 31 31 A C2' C 13 73.4 0.5 . . . . . . . . . . 6633 1 487 . 1 1 31 31 A C3' C 13 70.3 0.5 . . . . . . . . . . 6633 1 488 . 1 1 31 31 A C4' C 13 81.9 0.5 . . . . . . . . . . 6633 1 489 . 1 1 31 31 A C5' C 13 62.8 0.5 . . . . . . . . . . 6633 1 490 . 1 1 32 32 G H8 H 1 6.98 0.05 . . . . . . . . . . 6633 1 491 . 1 1 32 32 G H1' H 1 5.48 0.05 . . . . . . . . . . 6633 1 492 . 1 1 32 32 G H2' H 1 4.43 0.05 . . . . . . . . . . 6633 1 493 . 1 1 32 32 G H3' H 1 4.31 0.05 . . . . . . . . . . 6633 1 494 . 1 1 32 32 G H4' H 1 4.41 0.05 . . . . . . . . . . 6633 1 495 . 1 1 32 32 G H5' H 1 4.04 0.05 . . . . . . . . . . 6633 1 496 . 1 1 32 32 G H5'' H 1 4.41 0.05 . . . . . . . . . . 6633 1 497 . 1 1 32 32 G H1 H 1 12.86 0.05 . . . . . . . . . . 6633 1 498 . 1 1 32 32 G C8 C 13 133.8 0.5 . . . . . . . . . . 6633 1 499 . 1 1 32 32 G C1' C 13 90.4 0.5 . . . . . . . . . . 6633 1 500 . 1 1 32 32 G C2' C 13 73 0.5 . . . . . . . . . . 6633 1 501 . 1 1 32 32 G C3' C 13 70.7 0.5 . . . . . . . . . . 6633 1 502 . 1 1 32 32 G C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 503 . 1 1 32 32 G C5' C 13 63.5 0.5 . . . . . . . . . . 6633 1 504 . 1 1 32 32 G N1 N 15 145 0.5 . . . . . . . . . . 6633 1 505 . 1 1 33 33 G H8 H 1 7.25 0.05 . . . . . . . . . . 6633 1 506 . 1 1 33 33 G H1' H 1 5.49 0.05 . . . . . . . . . . 6633 1 507 . 1 1 33 33 G H2' H 1 4.17 0.05 . . . . . . . . . . 6633 1 508 . 1 1 33 33 G H3' H 1 4.49 0.05 . . . . . . . . . . 6633 1 509 . 1 1 33 33 G H4' H 1 4.26 0.05 . . . . . . . . . . 6633 1 510 . 1 1 33 33 G H5' H 1 4.00 0.05 . . . . . . . . . . 6633 1 511 . 1 1 33 33 G H5'' H 1 4.31 0.05 . . . . . . . . . . 6633 1 512 . 1 1 33 33 G H1 H 1 10.47 0.05 . . . . . . . . . . 6633 1 513 . 1 1 33 33 G C8 C 13 134.9 0.5 . . . . . . . . . . 6633 1 514 . 1 1 33 33 G C1' C 13 90.1 0.5 . . . . . . . . . . 6633 1 515 . 1 1 33 33 G C2' C 13 73.4 0.5 . . . . . . . . . . 6633 1 516 . 1 1 33 33 G C3' C 13 71.5 0.5 . . . . . . . . . . 6633 1 517 . 1 1 33 33 G C4' C 13 80.8 0.5 . . . . . . . . . . 6633 1 518 . 1 1 33 33 G C5' C 13 63.1 0.5 . . . . . . . . . . 6633 1 519 . 1 1 33 33 G N1 N 15 144 0.5 . . . . . . . . . . 6633 1 520 . 1 1 34 34 G H8 H 1 7.67 0.05 . . . . . . . . . . 6633 1 521 . 1 1 34 34 G H1' H 1 5.43 0.05 . . . . . . . . . . 6633 1 522 . 1 1 34 34 G H2' H 1 4.65 0.05 . . . . . . . . . . 6633 1 523 . 1 1 34 34 G H3' H 1 4.7 0.05 . . . . . . . . . . 6633 1 524 . 1 1 34 34 G H4' H 1 4.35 0.05 . . . . . . . . . . 6633 1 525 . 1 1 34 34 G H5' H 1 4.05 0.05 . . . . . . . . . . 6633 1 526 . 1 1 34 34 G H5'' H 1 4.14 0.05 . . . . . . . . . . 6633 1 527 . 1 1 34 34 G C8 C 13 137.6 0.5 . . . . . . . . . . 6633 1 528 . 1 1 34 34 G C1' C 13 87.4 0.5 . . . . . . . . . . 6633 1 529 . 1 1 34 34 G C2' C 13 72.3 0.5 . . . . . . . . . . 6633 1 530 . 1 1 34 34 G C3' C 13 75 0.5 . . . . . . . . . . 6633 1 531 . 1 1 34 34 G C4' C 13 82.5 0.5 . . . . . . . . . . 6633 1 532 . 1 1 34 34 G C5' C 13 64.7 0.5 . . . . . . . . . . 6633 1 533 . 1 1 35 35 A H8 H 1 8.16 0.05 . . . . . . . . . . 6633 1 534 . 1 1 35 35 A H2 H 1 7.92 0.05 . . . . . . . . . . 6633 1 535 . 1 1 35 35 A H1' H 1 5.84 0.05 . . . . . . . . . . 6633 1 536 . 1 1 35 35 A H2' H 1 4.74 0.05 . . . . . . . . . . 6633 1 537 . 1 1 35 35 A H3' H 1 4.72 0.05 . . . . . . . . . . 6633 1 538 . 1 1 35 35 A H4' H 1 4.52 0.05 . . . . . . . . . . 6633 1 539 . 1 1 35 35 A H5' H 1 4.23 0.05 . . . . . . . . . . 6633 1 540 . 1 1 35 35 A C8 C 13 139.7 0.5 . . . . . . . . . . 6633 1 541 . 1 1 35 35 A C2 C 13 152.9 0.5 . . . . . . . . . . 6633 1 542 . 1 1 35 35 A C1' C 13 88.3 0.5 . . . . . . . . . . 6633 1 543 . 1 1 35 35 A C2' C 13 73.1 0.5 . . . . . . . . . . 6633 1 544 . 1 1 35 35 A C3' C 13 73.3 0.5 . . . . . . . . . . 6633 1 545 . 1 1 35 35 A C4' C 13 80.5 0.5 . . . . . . . . . . 6633 1 546 . 1 1 35 35 A C5' C 13 65.1 0.5 . . . . . . . . . . 6633 1 547 . 1 1 36 36 A H8 H 1 8.29 0.05 . . . . . . . . . . 6633 1 548 . 1 1 36 36 A H2 H 1 8.06 0.05 . . . . . . . . . . 6633 1 549 . 1 1 36 36 A H1' H 1 5.82 0.05 . . . . . . . . . . 6633 1 550 . 1 1 36 36 A H2' H 1 4.73 0.05 . . . . . . . . . . 6633 1 551 . 1 1 36 36 A H3' H 1 4.73 0.05 . . . . . . . . . . 6633 1 552 . 1 1 36 36 A H4' H 1 4.6 0.05 . . . . . . . . . . 6633 1 553 . 1 1 36 36 A H5' H 1 4.28 0.05 . . . . . . . . . . 6633 1 554 . 1 1 36 36 A H5'' H 1 4.40 0.05 . . . . . . . . . . 6633 1 555 . 1 1 36 36 A C8 C 13 139.1 0.5 . . . . . . . . . . 6633 1 556 . 1 1 36 36 A C2 C 13 152.7 0.5 . . . . . . . . . . 6633 1 557 . 1 1 36 36 A C1' C 13 88.1 0.5 . . . . . . . . . . 6633 1 558 . 1 1 36 36 A C2' C 13 73.6 0.5 . . . . . . . . . . 6633 1 559 . 1 1 36 36 A C3' C 13 73.9 0.5 . . . . . . . . . . 6633 1 560 . 1 1 36 36 A C4' C 13 79.7 0.5 . . . . . . . . . . 6633 1 561 . 1 1 36 36 A C5' C 13 64.6 0.5 . . . . . . . . . . 6633 1 562 . 1 1 37 37 U H6 H 1 7.64 0.05 . . . . . . . . . . 6633 1 563 . 1 1 37 37 U H5 H 1 5.28 0.05 . . . . . . . . . . 6633 1 564 . 1 1 37 37 U H1' H 1 5.67 0.05 . . . . . . . . . . 6633 1 565 . 1 1 37 37 U H2' H 1 4.57 0.05 . . . . . . . . . . 6633 1 566 . 1 1 37 37 U H3' H 1 4.35 0.05 . . . . . . . . . . 6633 1 567 . 1 1 37 37 U H4' H 1 4.53 0.05 . . . . . . . . . . 6633 1 568 . 1 1 37 37 U H5' H 1 4.26 0.05 . . . . . . . . . . 6633 1 569 . 1 1 37 37 U H5'' H 1 4.39 0.05 . . . . . . . . . . 6633 1 570 . 1 1 37 37 U C6 C 13 140.8 0.5 . . . . . . . . . . 6633 1 571 . 1 1 37 37 U C5 C 13 102 0.5 . . . . . . . . . . 6633 1 572 . 1 1 37 37 U C1' C 13 91 0.5 . . . . . . . . . . 6633 1 573 . 1 1 37 37 U C2' C 13 73.1 0.5 . . . . . . . . . . 6633 1 574 . 1 1 37 37 U C3' C 13 71.6 0.5 . . . . . . . . . . 6633 1 575 . 1 1 37 37 U C4' C 13 81.1 0.5 . . . . . . . . . . 6633 1 576 . 1 1 37 37 U C5' C 13 64.3 0.5 . . . . . . . . . . 6633 1 577 . 1 1 38 38 U H6 H 1 7.91 0.05 . . . . . . . . . . 6633 1 578 . 1 1 38 38 U H5 H 1 5.76 0.05 . . . . . . . . . . 6633 1 579 . 1 1 38 38 U H1' H 1 5.79 0.05 . . . . . . . . . . 6633 1 580 . 1 1 38 38 U H2' H 1 4.34 0.05 . . . . . . . . . . 6633 1 581 . 1 1 38 38 U H3' H 1 4.65 0.05 . . . . . . . . . . 6633 1 582 . 1 1 38 38 U H4' H 1 4.48 0.05 . . . . . . . . . . 6633 1 583 . 1 1 38 38 U H5' H 1 4.15 0.05 . . . . . . . . . . 6633 1 584 . 1 1 38 38 U H5'' H 1 4.5 0.05 . . . . . . . . . . 6633 1 585 . 1 1 38 38 U H3 H 1 11.61 0.05 . . . . . . . . . . 6633 1 586 . 1 1 38 38 U C6 C 13 141.1 0.5 . . . . . . . . . . 6633 1 587 . 1 1 38 38 U C5 C 13 103.3 0.5 . . . . . . . . . . 6633 1 588 . 1 1 38 38 U C1' C 13 89.7 0.5 . . . . . . . . . . 6633 1 589 . 1 1 38 38 U C2' C 13 73.6 0.5 . . . . . . . . . . 6633 1 590 . 1 1 38 38 U C3' C 13 72.1 0.5 . . . . . . . . . . 6633 1 591 . 1 1 38 38 U C4' C 13 81.5 0.5 . . . . . . . . . . 6633 1 592 . 1 1 38 38 U C5' C 13 63.5 0.5 . . . . . . . . . . 6633 1 593 . 1 1 38 38 U N3 N 15 156.2 0.5 . . . . . . . . . . 6633 1 594 . 1 1 39 39 G H8 H 1 7.99 0.05 . . . . . . . . . . 6633 1 595 . 1 1 39 39 G H1' H 1 5.73 0.05 . . . . . . . . . . 6633 1 596 . 1 1 39 39 G H2' H 1 4.6 0.05 . . . . . . . . . . 6633 1 597 . 1 1 39 39 G H3' H 1 4.65 0.05 . . . . . . . . . . 6633 1 598 . 1 1 39 39 G H4' H 1 4.52 0.05 . . . . . . . . . . 6633 1 599 . 1 1 39 39 G H5' H 1 4.20 0.05 . . . . . . . . . . 6633 1 600 . 1 1 39 39 G H5'' H 1 4.53 0.05 . . . . . . . . . . 6633 1 601 . 1 1 39 39 G H1 H 1 12.96 0.05 . . . . . . . . . . 6633 1 602 . 1 1 39 39 G C8 C 13 135.7 0.5 . . . . . . . . . . 6633 1 603 . 1 1 39 39 G C1' C 13 90.6 0.5 . . . . . . . . . . 6633 1 604 . 1 1 39 39 G C2' C 13 73.3 0.5 . . . . . . . . . . 6633 1 605 . 1 1 39 39 G C3' C 13 70.8 0.5 . . . . . . . . . . 6633 1 606 . 1 1 39 39 G C4' C 13 80.1 0.5 . . . . . . . . . . 6633 1 607 . 1 1 39 39 G C5' C 13 63.6 0.5 . . . . . . . . . . 6633 1 608 . 1 1 39 39 G N1 N 15 145.1 0.5 . . . . . . . . . . 6633 1 609 . 1 1 40 40 C H6 H 1 7.73 0.05 . . . . . . . . . . 6633 1 610 . 1 1 40 40 C H5 H 1 5.29 0.05 . . . . . . . . . . 6633 1 611 . 1 1 40 40 C H1' H 1 5.57 0.05 . . . . . . . . . . 6633 1 612 . 1 1 40 40 C H2' H 1 4.31 0.05 . . . . . . . . . . 6633 1 613 . 1 1 40 40 C H3' H 1 4.46 0.05 . . . . . . . . . . 6633 1 614 . 1 1 40 40 C H4' H 1 4.45 0.05 . . . . . . . . . . 6633 1 615 . 1 1 40 40 C H5' H 1 4.08 0.05 . . . . . . . . . . 6633 1 616 . 1 1 40 40 C H5'' H 1 4.55 0.05 . . . . . . . . . . 6633 1 617 . 1 1 40 40 C H41 H 1 6.95 0.05 . . . . . . . . . . 6633 1 618 . 1 1 40 40 C H42 H 1 8.59 0.05 . . . . . . . . . . 6633 1 619 . 1 1 40 40 C C6 C 13 140.3 0.5 . . . . . . . . . . 6633 1 620 . 1 1 40 40 C C5 C 13 94.7 0.5 . . . . . . . . . . 6633 1 621 . 1 1 40 40 C C1' C 13 92.1 0.5 . . . . . . . . . . 6633 1 622 . 1 1 40 40 C C2' C 13 73.2 0.5 . . . . . . . . . . 6633 1 623 . 1 1 40 40 C C3' C 13 69.6 0.5 . . . . . . . . . . 6633 1 624 . 1 1 40 40 C C4' C 13 79.9 0.5 . . . . . . . . . . 6633 1 625 . 1 1 40 40 C C5' C 13 62.1 0.5 . . . . . . . . . . 6633 1 626 . 1 1 41 41 C H6 H 1 7.71 0.05 . . . . . . . . . . 6633 1 627 . 1 1 41 41 C H5 H 1 5.55 0.05 . . . . . . . . . . 6633 1 628 . 1 1 41 41 C H1' H 1 5.79 0.05 . . . . . . . . . . 6633 1 629 . 1 1 41 41 C H2' H 1 4.04 0.05 . . . . . . . . . . 6633 1 630 . 1 1 41 41 C H3' H 1 4.19 0.05 . . . . . . . . . . 6633 1 631 . 1 1 41 41 C H4' H 1 4.18 0.05 . . . . . . . . . . 6633 1 632 . 1 1 41 41 C H5' H 1 4.02 0.05 . . . . . . . . . . 6633 1 633 . 1 1 41 41 C H5'' H 1 4.47 0.05 . . . . . . . . . . 6633 1 634 . 1 1 41 41 C H41 H 1 6.88 0.05 . . . . . . . . . . 6633 1 635 . 1 1 41 41 C H42 H 1 8.46 0.05 . . . . . . . . . . 6633 1 636 . 1 1 41 41 C C6 C 13 139.8 0.5 . . . . . . . . . . 6633 1 637 . 1 1 41 41 C C5 C 13 95.9 0.5 . . . . . . . . . . 6633 1 638 . 1 1 41 41 C C1' C 13 90.7 0.5 . . . . . . . . . . 6633 1 639 . 1 1 41 41 C C2' C 13 75.2 0.5 . . . . . . . . . . 6633 1 640 . 1 1 41 41 C C3' C 13 67.4 0.5 . . . . . . . . . . 6633 1 641 . 1 1 41 41 C C4' C 13 79.6 0.5 . . . . . . . . . . 6633 1 642 . 1 1 41 41 C C5' C 13 62.9 0.5 . . . . . . . . . . 6633 1 stop_ save_