data_5852 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5852 _Entry.Title ; NMR Structure of the Active Conformation of the Varkud Satellite Ribozyme Cleavage Site ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-27 _Entry.Accession_date 2003-06-27 _Entry.Last_release_date 2003-09-12 _Entry.Original_release_date 2003-09-12 _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 B. Hoffmann . . . 5852 2 G. Mitchell . T. . 5852 3 P. Gendron . . . 5852 4 F. Major . . . 5852 5 A. Andersen . A. . 5852 6 R. Collins . A. . 5852 7 P. Legault . . . 5852 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5852 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 153 5852 '15N chemical shifts' 69 5852 '1H chemical shifts' 212 5852 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 . . 2003-09-12 2003-06-27 original author . 5852 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5007 'VS RIBOZYME SUBSTRATE STEM-LOOP' 5852 PDB 1OW9 'BMRB Entry Tracking System' 5852 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5852 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22684532 _Citation.DOI . _Citation.PubMed_ID 12782785 _Citation.Full_citation . _Citation.Title ; NMR Structure of the Active Conformation of the Varkud Satellite Ribozyme Cleavage Site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 100 _Citation.Journal_issue 12 _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 7003 _Citation.Page_last 7008 _Citation.Year 2003 _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 B. Hoffmann . . . 5852 1 2 G. Mitchell . T. . 5852 1 3 P. Gendron . . . 5852 1 4 F. Major . . . 5852 1 5 A. Andersen . A. . 5852 1 6 R. Collins . A. . 5852 1 7 P. Legault . . . 5852 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cleavage site' 5852 1 'GNRA tetraloop' 5852 1 'magnesium ion binding' 5852 1 'riboze zipper' 5852 1 'shared sheared G-A base pairs' 5852 1 'sheared G-A base pairs' 5852 1 'substrate hairpin' 5852 1 'VS ribozyme' 5852 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SL1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SL1 _Assembly.Entry_ID 5852 _Assembly.ID 1 _Assembly.Name 'A mimic of the VS Ribozyme Hairpin Substrate' _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 5852 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 SL1 1 $SL1 . . . native . . . . . 5852 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 yes PDB 1OW9 . . . . . . 5852 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'A mimic of the VS Ribozyme Hairpin Substrate' system 5852 1 SL1' abbreviation 5852 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Ribozyme 5852 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SL1 _Entity.Sf_category entity _Entity.Sf_framecode SL1 _Entity.Entry_ID 5852 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'A mimic of the VS Ribozyme Hairpin Substrate' _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 ; GAGCGAAGACGAAAGUCGAG CUC ; _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 23 _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 'A mimic of the VS Ribozyme Hairpin Substrate' common 5852 1 SL1 abbreviation 5852 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 . 5852 1 2 . A . 5852 1 3 . G . 5852 1 4 . C . 5852 1 5 . G . 5852 1 6 . A . 5852 1 7 . A . 5852 1 8 . G . 5852 1 9 . A . 5852 1 10 . C . 5852 1 11 . G . 5852 1 12 . A . 5852 1 13 . A . 5852 1 14 . A . 5852 1 15 . G . 5852 1 16 . U . 5852 1 17 . C . 5852 1 18 . G . 5852 1 19 . A . 5852 1 20 . G . 5852 1 21 . C . 5852 1 22 . U . 5852 1 23 . C . 5852 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 5852 1 . A 2 2 5852 1 . G 3 3 5852 1 . C 4 4 5852 1 . G 5 5 5852 1 . A 6 6 5852 1 . A 7 7 5852 1 . G 8 8 5852 1 . A 9 9 5852 1 . C 10 10 5852 1 . G 11 11 5852 1 . A 12 12 5852 1 . A 13 13 5852 1 . A 14 14 5852 1 . G 15 15 5852 1 . U 16 16 5852 1 . C 17 17 5852 1 . G 18 18 5852 1 . A 19 19 5852 1 . G 20 20 5852 1 . C 21 21 5852 1 . U 22 22 5852 1 . C 23 23 5852 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 5852 _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 $SL1 . 5141 . . 'Neurospora crassa' 'Neurospora crassa' . . Eukaryota Fungi Neurospora crassa . . . . . . . . . . . . . . . . . . . . . 5852 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 5852 _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 $SL1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'synthesized with T7 RNA polymerase' . . 5852 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5852 _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 'A mimic of the VS Ribozyme Hairpin Substrate' '[U-98% 13C; U-98% 15N]' . . 1 $SL1 . . 1.1 . . mM . . . . 5852 1 2 D11-TRIS . . . . . . . 10 . . mM . . . . 5852 1 3 NaCl . . . . . . . 50 . . mM . . . . 5852 1 4 EDTA . . . . . . . 0.2 . . mM . . . . 5852 1 5 NaN3 . . . . . . . 0.05 . . mM . . . . 5852 1 6 H2O . . . . . . . 90 . . % . . . . 5852 1 7 D2O . . . . . . . 10 . . % . . . . 5852 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5852 _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 'A mimic of the VS Ribozyme Hairpin Substrate' '[U-98% 13C; U-98% 15N]' . . 1 $SL1 . . 1.1 . . mM . . . . 5852 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5852 _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 'A mimic of the VS Ribozyme Hairpin Substrate' '[U-95% 15N]' . . 1 $SL1 . . 1.7 . . mM . . . . 5852 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5852 _Sample.ID 4 _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 'A mimic of the VS Ribozyme Hairpin Substrate' '[U-98% 15N]' . . 1 $SL1 . . 5.3 . . mM . . . . 5852 4 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 5852 _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' 50 2 mM 5852 1 pH 7.0 0.2 n/a 5852 1 pressure 1 . atm 5852 1 temperature 298 0.5 K 5852 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5852 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5852 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5852 _Software.ID 2 _Software.Name NMRView _Software.Version 5.03 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5852 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5852 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.840 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5852 3 'structure calculation' 5852 3 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 5852 _Software.ID 4 _Software.Name Molmol _Software.Version 2K.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5852 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 5852 _Software.ID 5 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5852 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5852 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5852 _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 Varian INOVA . 600 . . . 5852 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 5852 _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 DQF COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 2 '2D 15N HSQC (imino optimized)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 3 '2D 15N HSQC (amino optimized)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 4 '2D 13C constant-time HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 5 '2D 13C long range HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 6 '2D A-specific (H)N(C)-TOCSY-(C)H' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 7 '2D C-specific H(NCCC)H' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 8 '2D G-specific H(NC)-TOCSY-(C)H' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 9 '2D U-specific H(NCCC)H' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 10 '2D 1H-15N MQ-(HC)N(C)H' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 11 '2D HNN-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 12 '2D H(CN)N(H)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 13 '3D HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 14 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 15 '2D watergate NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 16 '2D 15N CPMG-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 17 '3D 13C/15N-edited HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 1 18 '3D 13C-edited HMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5852 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 5852 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 15N HSQC (imino optimized)' _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 5852 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 15N HSQC (amino optimized)' _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 5852 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 13C constant-time 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 13C long range 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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D A-specific (H)N(C)-TOCSY-(C)H' _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 5852 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D C-specific H(NCCC)H' _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D G-specific H(NC)-TOCSY-(C)H' _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D U-specific H(NCCC)H' _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D 1H-15N MQ-(HC)N(C)H' _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D HNN-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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D H(CN)N(H)' _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HCCH-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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 14 _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_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D watergate 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_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '2D 15N CPMG-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_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D 13C/15N-edited HSQC-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_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 5852 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '3D 13C-edited HMQC-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_ #################### # 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 5852 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5852 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5852 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5852 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 5852 _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 . 5852 1 . . 2 $sample_2 . 5852 1 . . 3 $sample_3 . 5852 1 . . 4 $sample_4 . 5852 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 8.012 0.01 . 1 . . . . . . . . 5852 1 2 . 1 1 1 1 G C8 C 13 138.797 0.2 . 1 . . . . . . . . 5852 1 3 . 1 1 1 1 G N9 N 15 169.163 0.2 . 1 . . . . . . . . 5852 1 4 . 1 1 1 1 G H1' H 1 5.682 0.01 . 1 . . . . . . . . 5852 1 5 . 1 1 1 1 G H2' H 1 4.834 0.01 . 1 . . . . . . . . 5852 1 6 . 1 1 1 1 G H3' H 1 4.624 0.01 . 1 . . . . . . . . 5852 1 7 . 1 1 1 1 G H4' H 1 4.348 0.01 . 1 . . . . . . . . 5852 1 8 . 1 1 1 1 G H5' H 1 4.001 0.01 . 2 . . . . . . . . 5852 1 9 . 1 1 1 1 G H5'' H 1 3.902 0.01 . 2 . . . . . . . . 5852 1 10 . 1 1 1 1 G C1' C 13 92.070 0.2 . 1 . . . . . . . . 5852 1 11 . 1 1 1 1 G C2' C 13 75.079 0.2 . 1 . . . . . . . . 5852 1 12 . 1 1 1 1 G C3' C 13 74.229 0.2 . 1 . . . . . . . . 5852 1 13 . 1 1 1 1 G C4' C 13 84.849 0.2 . 1 . . . . . . . . 5852 1 14 . 1 1 1 1 G C5' C 13 62.548 0.2 . 1 . . . . . . . . 5852 1 15 . 1 1 2 2 A H2 H 1 7.581 0.01 . 1 . . . . . . . . 5852 1 16 . 1 1 2 2 A H8 H 1 8.019 0.01 . 1 . . . . . . . . 5852 1 17 . 1 1 2 2 A C2 C 13 153.240 0.2 . 1 . . . . . . . . 5852 1 18 . 1 1 2 2 A C8 C 13 139.859 0.2 . 1 . . . . . . . . 5852 1 19 . 1 1 2 2 A N1 N 15 221.387 0.2 . 1 . . . . . . . . 5852 1 20 . 1 1 2 2 A N3 N 15 213.020 0.2 . 1 . . . . . . . . 5852 1 21 . 1 1 2 2 A N6 N 15 82.568 0.2 . 1 . . . . . . . . 5852 1 22 . 1 1 2 2 A N9 N 15 170.751 0.2 . 1 . . . . . . . . 5852 1 23 . 1 1 2 2 A H1' H 1 6.054 0.01 . 1 . . . . . . . . 5852 1 24 . 1 1 2 2 A H2' H 1 4.707 0.01 . 1 . . . . . . . . 5852 1 25 . 1 1 2 2 A H3' H 1 4.734 0.01 . 1 . . . . . . . . 5852 1 26 . 1 1 2 2 A H4' H 1 4.552 0.01 . 1 . . . . . . . . 5852 1 27 . 1 1 2 2 A H5' H 1 4.568 0.01 . 2 . . . . . . . . 5852 1 28 . 1 1 2 2 A H5'' H 1 4.256 0.01 . 2 . . . . . . . . 5852 1 29 . 1 1 2 2 A C1' C 13 92.920 0.2 . 1 . . . . . . . . 5852 1 30 . 1 1 2 2 A C2' C 13 75.733 0.2 . 1 . . . . . . . . 5852 1 31 . 1 1 2 2 A C3' C 13 72.951 0.2 . 1 . . . . . . . . 5852 1 32 . 1 1 2 2 A C4' C 13 82.303 0.2 . 1 . . . . . . . . 5852 1 33 . 1 1 2 2 A C5' C 13 65.304 0.2 . 1 . . . . . . . . 5852 1 34 . 1 1 3 3 G H1 H 1 13.381 0.01 . 1 . . . . . . . . 5852 1 35 . 1 1 3 3 G H8 H 1 7.200 0.01 . 1 . . . . . . . . 5852 1 36 . 1 1 3 3 G C8 C 13 135.611 0.2 . 1 . . . . . . . . 5852 1 37 . 1 1 3 3 G N1 N 15 148.267 0.2 . 1 . . . . . . . . 5852 1 38 . 1 1 3 3 G N2 N 15 74.945 0.2 . 1 . . . . . . . . 5852 1 39 . 1 1 3 3 G N9 N 15 169.313 0.2 . 1 . . . . . . . . 5852 1 40 . 1 1 3 3 G H1' H 1 5.641 0.01 . 1 . . . . . . . . 5852 1 41 . 1 1 3 3 G H2' H 1 4.429 0.01 . 1 . . . . . . . . 5852 1 42 . 1 1 3 3 G H3' H 1 4.386 0.01 . 1 . . . . . . . . 5852 1 43 . 1 1 3 3 G H4' H 1 4.437 0.01 . 1 . . . . . . . . 5852 1 44 . 1 1 3 3 G H5' H 1 4.479 0.01 . 2 . . . . . . . . 5852 1 45 . 1 1 3 3 G H5'' H 1 4.070 0.01 . 2 . . . . . . . . 5852 1 46 . 1 1 3 3 G C1' C 13 92.495 0.2 . 1 . . . . . . . . 5852 1 47 . 1 1 3 3 G C2' C 13 75.291 0.2 . 1 . . . . . . . . 5852 1 48 . 1 1 3 3 G C3' C 13 72.743 0.2 . 1 . . . . . . . . 5852 1 49 . 1 1 3 3 G C4' C 13 81.876 0.2 . 1 . . . . . . . . 5852 1 50 . 1 1 3 3 G C5' C 13 65.503 0.2 . 1 . . . . . . . . 5852 1 51 . 1 1 4 4 C H41 H 1 8.080 0.01 . 1 . . . . . . . . 5852 1 52 . 1 1 4 4 C H42 H 1 6.539 0.01 . 1 . . . . . . . . 5852 1 53 . 1 1 4 4 C H5 H 1 4.986 0.01 . 1 . . . . . . . . 5852 1 54 . 1 1 4 4 C H6 H 1 7.198 0.01 . 1 . . . . . . . . 5852 1 55 . 1 1 4 4 C C5 C 13 97.168 0.2 . 1 . . . . . . . . 5852 1 56 . 1 1 4 4 C C6 C 13 139.859 0.2 . 1 . . . . . . . . 5852 1 57 . 1 1 4 4 C N1 N 15 150.057 0.2 . 1 . . . . . . . . 5852 1 58 . 1 1 4 4 C N3 N 15 196.109 0.2 . 1 . . . . . . . . 5852 1 59 . 1 1 4 4 C N4 N 15 97.292 0.2 . 1 . . . . . . . . 5852 1 60 . 1 1 4 4 C H1' H 1 5.392 0.01 . 1 . . . . . . . . 5852 1 61 . 1 1 4 4 C H2' H 1 4.596 0.01 . 1 . . . . . . . . 5852 1 62 . 1 1 4 4 C H3' H 1 4.236 0.01 . 1 . . . . . . . . 5852 1 63 . 1 1 4 4 C H4' H 1 4.372 0.01 . 1 . . . . . . . . 5852 1 64 . 1 1 4 4 C H5' H 1 4.432 0.01 . 2 . . . . . . . . 5852 1 65 . 1 1 4 4 C H5'' H 1 4.038 0.01 . 2 . . . . . . . . 5852 1 66 . 1 1 4 4 C C1' C 13 94.195 0.2 . 1 . . . . . . . . 5852 1 67 . 1 1 4 4 C C2' C 13 75.278 0.2 . 1 . . . . . . . . 5852 1 68 . 1 1 4 4 C C3' C 13 72.531 0.2 . 1 . . . . . . . . 5852 1 69 . 1 1 4 4 C C4' C 13 82.093 0.2 . 1 . . . . . . . . 5852 1 70 . 1 1 4 4 C C5' C 13 65.309 0.2 . 1 . . . . . . . . 5852 1 71 . 1 1 5 5 G H21 H 1 6.539 0.01 . 1 . . . . . . . . 5852 1 72 . 1 1 5 5 G H22 H 1 6.539 0.01 . 1 . . . . . . . . 5852 1 73 . 1 1 5 5 G H8 H 1 7.825 0.01 . 1 . . . . . . . . 5852 1 74 . 1 1 5 5 G C8 C 13 137.310 0.2 . 1 . . . . . . . . 5852 1 75 . 1 1 5 5 G N2 N 15 77.853 0.2 . 1 . . . . . . . . 5852 1 76 . 1 1 5 5 G N9 N 15 169.956 0.2 . 1 . . . . . . . . 5852 1 77 . 1 1 5 5 G H1' H 1 5.670 0.01 . 1 . . . . . . . . 5852 1 78 . 1 1 5 5 G H2' H 1 4.301 0.01 . 1 . . . . . . . . 5852 1 79 . 1 1 5 5 G H3' H 1 4.729 0.01 . 1 . . . . . . . . 5852 1 80 . 1 1 5 5 G H4' H 1 4.458 0.01 . 1 . . . . . . . . 5852 1 81 . 1 1 5 5 G H5' H 1 4.435 0.01 . 2 . . . . . . . . 5852 1 82 . 1 1 5 5 G H5'' H 1 4.162 0.01 . 2 . . . . . . . . 5852 1 83 . 1 1 5 5 G C1' C 13 92.073 0.2 . 1 . . . . . . . . 5852 1 84 . 1 1 5 5 G C2' C 13 76.353 0.2 . 1 . . . . . . . . 5852 1 85 . 1 1 5 5 G C3' C 13 74.442 0.2 . 1 . . . . . . . . 5852 1 86 . 1 1 5 5 G C4' C 13 82.654 0.2 . 1 . . . . . . . . 5852 1 87 . 1 1 5 5 G C5' C 13 65.304 0.2 . 1 . . . . . . . . 5852 1 88 . 1 1 6 6 A H2 H 1 7.478 0.01 . 1 . . . . . . . . 5852 1 89 . 1 1 6 6 A H61 H 1 6.468 0.01 . 1 . . . . . . . . 5852 1 90 . 1 1 6 6 A H62 H 1 6.468 0.01 . 1 . . . . . . . . 5852 1 91 . 1 1 6 6 A H8 H 1 8.085 0.01 . 1 . . . . . . . . 5852 1 92 . 1 1 6 6 A C2 C 13 153.877 0.2 . 1 . . . . . . . . 5852 1 93 . 1 1 6 6 A C8 C 13 141.558 0.2 . 1 . . . . . . . . 5852 1 94 . 1 1 6 6 A N1 N 15 224.114 0.2 . 1 . . . . . . . . 5852 1 95 . 1 1 6 6 A N3 N 15 216.995 0.2 . 1 . . . . . . . . 5852 1 96 . 1 1 6 6 A N6 N 15 78.500 0.2 . 1 . . . . . . . . 5852 1 97 . 1 1 6 6 A N9 N 15 168.878 0.2 . 1 . . . . . . . . 5852 1 98 . 1 1 6 6 A H1' H 1 5.566 0.01 . 1 . . . . . . . . 5852 1 99 . 1 1 6 6 A H2' H 1 4.647 0.01 . 1 . . . . . . . . 5852 1 100 . 1 1 6 6 A H3' H 1 4.682 0.01 . 1 . . . . . . . . 5852 1 101 . 1 1 6 6 A H4' H 1 4.498 0.01 . 1 . . . . . . . . 5852 1 102 . 1 1 6 6 A H5' H 1 4.460 0.01 . 2 . . . . . . . . 5852 1 103 . 1 1 6 6 A H5'' H 1 4.157 0.01 . 2 . . . . . . . . 5852 1 104 . 1 1 6 6 A C1' C 13 91.674 0.2 . 1 . . . . . . . . 5852 1 105 . 1 1 6 6 A C2' C 13 75.716 0.2 . 1 . . . . . . . . 5852 1 106 . 1 1 6 6 A C3' C 13 74.442 0.2 . 1 . . . . . . . . 5852 1 107 . 1 1 6 6 A C4' C 13 84.000 0.2 . 1 . . . . . . . . 5852 1 108 . 1 1 6 6 A C5' C 13 66.159 0.2 . 1 . . . . . . . . 5852 1 109 . 1 1 7 7 A H2 H 1 7.944 0.01 . 1 . . . . . . . . 5852 1 110 . 1 1 7 7 A H61 H 1 6.403 0.01 . 1 . . . . . . . . 5852 1 111 . 1 1 7 7 A H62 H 1 6.403 0.01 . 1 . . . . . . . . 5852 1 112 . 1 1 7 7 A H8 H 1 7.876 0.01 . 1 . . . . . . . . 5852 1 113 . 1 1 7 7 A C2 C 13 154.939 0.2 . 1 . . . . . . . . 5852 1 114 . 1 1 7 7 A C8 C 13 139.859 0.2 . 1 . . . . . . . . 5852 1 115 . 1 1 7 7 A N1 N 15 226.014 0.2 . 1 . . . . . . . . 5852 1 116 . 1 1 7 7 A N3 N 15 215.493 0.2 . 1 . . . . . . . . 5852 1 117 . 1 1 7 7 A N6 N 15 80.009 0.2 . 1 . . . . . . . . 5852 1 118 . 1 1 7 7 A N9 N 15 169.960 0.2 . 1 . . . . . . . . 5852 1 119 . 1 1 7 7 A H1' H 1 5.764 0.01 . 1 . . . . . . . . 5852 1 120 . 1 1 7 7 A H2' H 1 4.657 0.01 . 1 . . . . . . . . 5852 1 121 . 1 1 7 7 A H3' H 1 4.638 0.01 . 1 . . . . . . . . 5852 1 122 . 1 1 7 7 A H4' H 1 4.478 0.01 . 1 . . . . . . . . 5852 1 123 . 1 1 7 7 A H5' H 1 4.452 0.01 . 2 . . . . . . . . 5852 1 124 . 1 1 7 7 A H5'' H 1 4.210 0.01 . 2 . . . . . . . . 5852 1 125 . 1 1 7 7 A C1' C 13 92.283 0.2 . 1 . . . . . . . . 5852 1 126 . 1 1 7 7 A C2' C 13 75.727 0.2 . 1 . . . . . . . . 5852 1 127 . 1 1 7 7 A C3' C 13 73.506 0.2 . 1 . . . . . . . . 5852 1 128 . 1 1 7 7 A C4' C 13 82.721 0.2 . 1 . . . . . . . . 5852 1 129 . 1 1 7 7 A C5' C 13 65.726 0.2 . 1 . . . . . . . . 5852 1 130 . 1 1 8 8 G H1 H 1 12.227 0.01 . 1 . . . . . . . . 5852 1 131 . 1 1 8 8 G H21 H 1 6.112 0.01 . 1 . . . . . . . . 5852 1 132 . 1 1 8 8 G H22 H 1 6.112 0.01 . 1 . . . . . . . . 5852 1 133 . 1 1 8 8 G H8 H 1 7.527 0.01 . 1 . . . . . . . . 5852 1 134 . 1 1 8 8 G C8 C 13 136.461 0.2 . 1 . . . . . . . . 5852 1 135 . 1 1 8 8 G N1 N 15 147.482 0.2 . 1 . . . . . . . . 5852 1 136 . 1 1 8 8 G N2 N 15 72.610 0.2 . 1 . . . . . . . . 5852 1 137 . 1 1 8 8 G N9 N 15 168.643 0.2 . 1 . . . . . . . . 5852 1 138 . 1 1 8 8 G H1' H 1 4.795 0.01 . 1 . . . . . . . . 5852 1 139 . 1 1 8 8 G H2' H 1 4.424 0.01 . 1 . . . . . . . . 5852 1 140 . 1 1 8 8 G H3' H 1 4.441 0.01 . 1 . . . . . . . . 5852 1 141 . 1 1 8 8 G H4' H 1 4.389 0.01 . 1 . . . . . . . . 5852 1 142 . 1 1 8 8 G H5' H 1 4.343 0.01 . 2 . . . . . . . . 5852 1 143 . 1 1 8 8 G H5'' H 1 4.123 0.01 . 2 . . . . . . . . 5852 1 144 . 1 1 8 8 G C1' C 13 91.652 0.2 . 1 . . . . . . . . 5852 1 145 . 1 1 8 8 G C2' C 13 75.291 0.2 . 1 . . . . . . . . 5852 1 146 . 1 1 8 8 G C3' C 13 73.592 0.2 . 1 . . . . . . . . 5852 1 147 . 1 1 8 8 G C4' C 13 82.513 0.2 . 1 . . . . . . . . 5852 1 148 . 1 1 8 8 G C5' C 13 66.378 0.2 . 1 . . . . . . . . 5852 1 149 . 1 1 9 9 A H2 H 1 7.723 0.01 . 1 . . . . . . . . 5852 1 150 . 1 1 9 9 A H8 H 1 7.701 0.01 . 1 . . . . . . . . 5852 1 151 . 1 1 9 9 A C2 C 13 153.877 0.2 . 1 . . . . . . . . 5852 1 152 . 1 1 9 9 A C8 C 13 139.434 0.2 . 1 . . . . . . . . 5852 1 153 . 1 1 9 9 A N1 N 15 223.187 0.2 . 1 . . . . . . . . 5852 1 154 . 1 1 9 9 A N3 N 15 212.199 0.2 . 1 . . . . . . . . 5852 1 155 . 1 1 9 9 A N6 N 15 84.036 0.2 . 1 . . . . . . . . 5852 1 156 . 1 1 9 9 A N9 N 15 170.331 0.2 . 1 . . . . . . . . 5852 1 157 . 1 1 9 9 A H1' H 1 5.897 0.01 . 1 . . . . . . . . 5852 1 158 . 1 1 9 9 A H2' H 1 4.451 0.01 . 1 . . . . . . . . 5852 1 159 . 1 1 9 9 A H3' H 1 4.503 0.01 . 1 . . . . . . . . 5852 1 160 . 1 1 9 9 A H4' H 1 4.454 0.01 . 1 . . . . . . . . 5852 1 161 . 1 1 9 9 A H5' H 1 4.480 0.01 . 2 . . . . . . . . 5852 1 162 . 1 1 9 9 A H5'' H 1 4.110 0.01 . 2 . . . . . . . . 5852 1 163 . 1 1 9 9 A C1' C 13 93.120 0.2 . 1 . . . . . . . . 5852 1 164 . 1 1 9 9 A C2' C 13 75.504 0.2 . 1 . . . . . . . . 5852 1 165 . 1 1 9 9 A C3' C 13 72.743 0.2 . 1 . . . . . . . . 5852 1 166 . 1 1 9 9 A C4' C 13 82.088 0.2 . 1 . . . . . . . . 5852 1 167 . 1 1 9 9 A C5' C 13 65.501 0.2 . 1 . . . . . . . . 5852 1 168 . 1 1 10 10 C H41 H 1 8.106 0.01 . 1 . . . . . . . . 5852 1 169 . 1 1 10 10 C H42 H 1 6.661 0.01 . 1 . . . . . . . . 5852 1 170 . 1 1 10 10 C H5 H 1 4.981 0.01 . 1 . . . . . . . . 5852 1 171 . 1 1 10 10 C H6 H 1 7.198 0.01 . 1 . . . . . . . . 5852 1 172 . 1 1 10 10 C C5 C 13 97.805 0.2 . 1 . . . . . . . . 5852 1 173 . 1 1 10 10 C C6 C 13 139.434 0.2 . 1 . . . . . . . . 5852 1 174 . 1 1 10 10 C N1 N 15 150.253 0.2 . 1 . . . . . . . . 5852 1 175 . 1 1 10 10 C N3 N 15 195.948 0.2 . 1 . . . . . . . . 5852 1 176 . 1 1 10 10 C N4 N 15 98.384 0.2 . 1 . . . . . . . . 5852 1 177 . 1 1 10 10 C H1' H 1 5.423 0.01 . 1 . . . . . . . . 5852 1 178 . 1 1 10 10 C H2' H 1 4.326 0.01 . 1 . . . . . . . . 5852 1 179 . 1 1 10 10 C H3' H 1 4.309 0.01 . 1 . . . . . . . . 5852 1 180 . 1 1 10 10 C H4' H 1 4.349 0.01 . 1 . . . . . . . . 5852 1 181 . 1 1 10 10 C H5' H 1 4.457 0.01 . 2 . . . . . . . . 5852 1 182 . 1 1 10 10 C H5'' H 1 4.037 0.01 . 2 . . . . . . . . 5852 1 183 . 1 1 10 10 C C1' C 13 93.582 0.2 . 1 . . . . . . . . 5852 1 184 . 1 1 10 10 C C2' C 13 76.120 0.2 . 1 . . . . . . . . 5852 1 185 . 1 1 10 10 C C3' C 13 71.893 0.2 . 1 . . . . . . . . 5852 1 186 . 1 1 10 10 C C4' C 13 81.663 0.2 . 1 . . . . . . . . 5852 1 187 . 1 1 10 10 C C5' C 13 64.468 0.2 . 1 . . . . . . . . 5852 1 188 . 1 1 11 11 G H21 H 1 6.553 0.01 . 1 . . . . . . . . 5852 1 189 . 1 1 11 11 G H22 H 1 6.553 0.01 . 1 . . . . . . . . 5852 1 190 . 1 1 11 11 G H8 H 1 7.492 0.01 . 1 . . . . . . . . 5852 1 191 . 1 1 11 11 G C8 C 13 136.461 0.2 . 1 . . . . . . . . 5852 1 192 . 1 1 11 11 G N2 N 15 77.248 0.2 . 1 . . . . . . . . 5852 1 193 . 1 1 11 11 G N9 N 15 169.761 0.2 . 1 . . . . . . . . 5852 1 194 . 1 1 11 11 G H1' H 1 5.648 0.01 . 1 . . . . . . . . 5852 1 195 . 1 1 11 11 G H2' H 1 4.425 0.01 . 1 . . . . . . . . 5852 1 196 . 1 1 11 11 G H3' H 1 4.658 0.01 . 1 . . . . . . . . 5852 1 197 . 1 1 11 11 G H4' H 1 4.375 0.01 . 1 . . . . . . . . 5852 1 198 . 1 1 11 11 G H5' H 1 4.383 0.01 . 2 . . . . . . . . 5852 1 199 . 1 1 11 11 G H5'' H 1 4.092 0.01 . 2 . . . . . . . . 5852 1 200 . 1 1 11 11 G C1' C 13 92.708 0.2 . 1 . . . . . . . . 5852 1 201 . 1 1 11 11 G C2' C 13 76.141 0.2 . 1 . . . . . . . . 5852 1 202 . 1 1 11 11 G C3' C 13 73.161 0.2 . 1 . . . . . . . . 5852 1 203 . 1 1 11 11 G C4' C 13 82.303 0.2 . 1 . . . . . . . . 5852 1 204 . 1 1 11 11 G C5' C 13 64.882 0.2 . 1 . . . . . . . . 5852 1 205 . 1 1 12 12 A H2 H 1 7.807 0.01 . 1 . . . . . . . . 5852 1 206 . 1 1 12 12 A H61 H 1 6.462 0.01 . 1 . . . . . . . . 5852 1 207 . 1 1 12 12 A H62 H 1 6.462 0.01 . 1 . . . . . . . . 5852 1 208 . 1 1 12 12 A H8 H 1 8.358 0.01 . 1 . . . . . . . . 5852 1 209 . 1 1 12 12 A C2 C 13 154.514 0.2 . 1 . . . . . . . . 5852 1 210 . 1 1 12 12 A C8 C 13 142.408 0.2 . 1 . . . . . . . . 5852 1 211 . 1 1 12 12 A N1 N 15 224.955 0.2 . 1 . . . . . . . . 5852 1 212 . 1 1 12 12 A N3 N 15 216.220 0.2 . 1 . . . . . . . . 5852 1 213 . 1 1 12 12 A N6 N 15 78.500 0.2 . 1 . . . . . . . . 5852 1 214 . 1 1 12 12 A N9 N 15 168.915 0.2 . 1 . . . . . . . . 5852 1 215 . 1 1 12 12 A H1' H 1 5.682 0.01 . 1 . . . . . . . . 5852 1 216 . 1 1 12 12 A H2' H 1 4.729 0.01 . 1 . . . . . . . . 5852 1 217 . 1 1 12 12 A H3' H 1 4.449 0.01 . 1 . . . . . . . . 5852 1 218 . 1 1 12 12 A H4' H 1 4.201 0.01 . 1 . . . . . . . . 5852 1 219 . 1 1 12 12 A H5' H 1 4.198 0.01 . 2 . . . . . . . . 5852 1 220 . 1 1 12 12 A H5'' H 1 3.950 0.01 . 2 . . . . . . . . 5852 1 221 . 1 1 12 12 A C1' C 13 91.433 0.2 . 1 . . . . . . . . 5852 1 222 . 1 1 12 12 A C2' C 13 75.936 0.2 . 1 . . . . . . . . 5852 1 223 . 1 1 12 12 A C3' C 13 74.301 0.2 . 1 . . . . . . . . 5852 1 224 . 1 1 12 12 A C4' C 13 83.798 0.2 . 1 . . . . . . . . 5852 1 225 . 1 1 12 12 A C5' C 13 65.094 0.2 . 1 . . . . . . . . 5852 1 226 . 1 1 13 13 A H2 H 1 7.778 0.01 . 1 . . . . . . . . 5852 1 227 . 1 1 13 13 A H61 H 1 6.364 0.01 . 1 . . . . . . . . 5852 1 228 . 1 1 13 13 A H62 H 1 6.364 0.01 . 1 . . . . . . . . 5852 1 229 . 1 1 13 13 A H8 H 1 7.925 0.01 . 1 . . . . . . . . 5852 1 230 . 1 1 13 13 A C2 C 13 154.514 0.2 . 1 . . . . . . . . 5852 1 231 . 1 1 13 13 A C8 C 13 140.496 0.2 . 1 . . . . . . . . 5852 1 232 . 1 1 13 13 A N1 N 15 226.204 0.2 . 1 . . . . . . . . 5852 1 233 . 1 1 13 13 A N3 N 15 215.366 0.2 . 1 . . . . . . . . 5852 1 234 . 1 1 13 13 A N6 N 15 79.744 0.2 . 1 . . . . . . . . 5852 1 235 . 1 1 13 13 A N9 N 15 169.614 0.2 . 1 . . . . . . . . 5852 1 236 . 1 1 13 13 A H1' H 1 5.431 0.01 . 1 . . . . . . . . 5852 1 237 . 1 1 13 13 A H2' H 1 4.343 0.01 . 1 . . . . . . . . 5852 1 238 . 1 1 13 13 A H3' H 1 4.554 0.01 . 1 . . . . . . . . 5852 1 239 . 1 1 13 13 A H4' H 1 4.242 0.01 . 1 . . . . . . . . 5852 1 240 . 1 1 13 13 A H5' H 1 3.878 0.01 . 2 . . . . . . . . 5852 1 241 . 1 1 13 13 A H5'' H 1 3.953 0.01 . 2 . . . . . . . . 5852 1 242 . 1 1 13 13 A C1' C 13 92.070 0.2 . 1 . . . . . . . . 5852 1 243 . 1 1 13 13 A C2' C 13 76.566 0.2 . 1 . . . . . . . . 5852 1 244 . 1 1 13 13 A C3' C 13 74.867 0.2 . 1 . . . . . . . . 5852 1 245 . 1 1 13 13 A C4' C 13 83.796 0.2 . 1 . . . . . . . . 5852 1 246 . 1 1 13 13 A C5' C 13 65.502 0.2 . 1 . . . . . . . . 5852 1 247 . 1 1 14 14 A H2 H 1 8.064 0.01 . 1 . . . . . . . . 5852 1 248 . 1 1 14 14 A H61 H 1 6.850 0.01 . 1 . . . . . . . . 5852 1 249 . 1 1 14 14 A H62 H 1 6.850 0.01 . 1 . . . . . . . . 5852 1 250 . 1 1 14 14 A H8 H 1 8.182 0.01 . 1 . . . . . . . . 5852 1 251 . 1 1 14 14 A C2 C 13 155.357 0.2 . 1 . . . . . . . . 5852 1 252 . 1 1 14 14 A C8 C 13 141.133 0.2 . 1 . . . . . . . . 5852 1 253 . 1 1 14 14 A N1 N 15 226.319 0.2 . 1 . . . . . . . . 5852 1 254 . 1 1 14 14 A N3 N 15 217.607 0.2 . 1 . . . . . . . . 5852 1 255 . 1 1 14 14 A N6 N 15 80.507 0.2 . 1 . . . . . . . . 5852 1 256 . 1 1 14 14 A N9 N 15 172.305 0.2 . 1 . . . . . . . . 5852 1 257 . 1 1 14 14 A H1' H 1 6.014 0.01 . 1 . . . . . . . . 5852 1 258 . 1 1 14 14 A H2' H 1 4.586 0.01 . 1 . . . . . . . . 5852 1 259 . 1 1 14 14 A H3' H 1 5.149 0.01 . 1 . . . . . . . . 5852 1 260 . 1 1 14 14 A H4' H 1 4.460 0.01 . 1 . . . . . . . . 5852 1 261 . 1 1 14 14 A H5' H 1 4.486 0.01 . 2 . . . . . . . . 5852 1 262 . 1 1 14 14 A H5'' H 1 4.348 0.01 . 2 . . . . . . . . 5852 1 263 . 1 1 14 14 A C1' C 13 92.075 0.2 . 1 . . . . . . . . 5852 1 264 . 1 1 14 14 A C2' C 13 76.862 0.2 . 1 . . . . . . . . 5852 1 265 . 1 1 14 14 A C3' C 13 74.027 0.2 . 1 . . . . . . . . 5852 1 266 . 1 1 14 14 A C4' C 13 82.725 0.2 . 1 . . . . . . . . 5852 1 267 . 1 1 14 14 A C5' C 13 66.159 0.2 . 1 . . . . . . . . 5852 1 268 . 1 1 15 15 G H1 H 1 12.952 0.01 . 1 . . . . . . . . 5852 1 269 . 1 1 15 15 G H8 H 1 7.825 0.01 . 1 . . . . . . . . 5852 1 270 . 1 1 15 15 G C8 C 13 137.310 0.2 . 1 . . . . . . . . 5852 1 271 . 1 1 15 15 G N1 N 15 147.894 0.2 . 1 . . . . . . . . 5852 1 272 . 1 1 15 15 G N2 N 15 74.839 0.2 . 1 . . . . . . . . 5852 1 273 . 1 1 15 15 G N9 N 15 168.799 0.2 . 1 . . . . . . . . 5852 1 274 . 1 1 15 15 G H1' H 1 3.736 0.01 . 1 . . . . . . . . 5852 1 275 . 1 1 15 15 G H2' H 1 4.225 0.01 . 1 . . . . . . . . 5852 1 276 . 1 1 15 15 G H3' H 1 4.089 0.01 . 1 . . . . . . . . 5852 1 277 . 1 1 15 15 G H4' H 1 4.226 0.01 . 1 . . . . . . . . 5852 1 278 . 1 1 15 15 G H5' H 1 4.294 0.01 . 2 . . . . . . . . 5852 1 279 . 1 1 15 15 G H5'' H 1 4.198 0.01 . 2 . . . . . . . . 5852 1 280 . 1 1 15 15 G C1' C 13 93.112 0.2 . 1 . . . . . . . . 5852 1 281 . 1 1 15 15 G C2' C 13 74.654 0.2 . 1 . . . . . . . . 5852 1 282 . 1 1 15 15 G C3' C 13 74.446 0.2 . 1 . . . . . . . . 5852 1 283 . 1 1 15 15 G C4' C 13 82.938 0.2 . 1 . . . . . . . . 5852 1 284 . 1 1 15 15 G C5' C 13 69.557 0.2 . 1 . . . . . . . . 5852 1 285 . 1 1 16 16 U H3 H 1 14.184 0.01 . 1 . . . . . . . . 5852 1 286 . 1 1 16 16 U H5 H 1 5.003 0.01 . 1 . . . . . . . . 5852 1 287 . 1 1 16 16 U H6 H 1 7.654 0.01 . 1 . . . . . . . . 5852 1 288 . 1 1 16 16 U C5 C 13 102.478 0.2 . 1 . . . . . . . . 5852 1 289 . 1 1 16 16 U C6 C 13 141.983 0.2 . 1 . . . . . . . . 5852 1 290 . 1 1 16 16 U N1 N 15 147.066 0.2 . 1 . . . . . . . . 5852 1 291 . 1 1 16 16 U N3 N 15 162.533 0.2 . 1 . . . . . . . . 5852 1 292 . 1 1 16 16 U H1' H 1 5.555 0.01 . 1 . . . . . . . . 5852 1 293 . 1 1 16 16 U H2' H 1 4.475 0.01 . 1 . . . . . . . . 5852 1 294 . 1 1 16 16 U H3' H 1 4.416 0.01 . 1 . . . . . . . . 5852 1 295 . 1 1 16 16 U H4' H 1 4.347 0.01 . 1 . . . . . . . . 5852 1 296 . 1 1 16 16 U H5' H 1 4.429 0.01 . 2 . . . . . . . . 5852 1 297 . 1 1 16 16 U H5'' H 1 4.016 0.01 . 2 . . . . . . . . 5852 1 298 . 1 1 16 16 U C1' C 13 93.770 0.2 . 1 . . . . . . . . 5852 1 299 . 1 1 16 16 U C2' C 13 75.282 0.2 . 1 . . . . . . . . 5852 1 300 . 1 1 16 16 U C3' C 13 72.106 0.2 . 1 . . . . . . . . 5852 1 301 . 1 1 16 16 U C4' C 13 82.100 0.2 . 1 . . . . . . . . 5852 1 302 . 1 1 16 16 U C5' C 13 64.052 0.2 . 1 . . . . . . . . 5852 1 303 . 1 1 17 17 C H41 H 1 7.904 0.01 . 1 . . . . . . . . 5852 1 304 . 1 1 17 17 C H42 H 1 6.586 0.01 . 1 . . . . . . . . 5852 1 305 . 1 1 17 17 C H5 H 1 5.364 0.01 . 1 . . . . . . . . 5852 1 306 . 1 1 17 17 C H6 H 1 7.410 0.01 . 1 . . . . . . . . 5852 1 307 . 1 1 17 17 C C5 C 13 97.805 0.2 . 1 . . . . . . . . 5852 1 308 . 1 1 17 17 C C6 C 13 140.921 0.2 . 1 . . . . . . . . 5852 1 309 . 1 1 17 17 C N1 N 15 151.024 0.2 . 1 . . . . . . . . 5852 1 310 . 1 1 17 17 C N3 N 15 197.491 0.2 . 1 . . . . . . . . 5852 1 311 . 1 1 17 17 C N4 N 15 96.260 0.2 . 1 . . . . . . . . 5852 1 312 . 1 1 17 17 C H1' H 1 5.539 0.01 . 1 . . . . . . . . 5852 1 313 . 1 1 17 17 C H2' H 1 4.156 0.01 . 1 . . . . . . . . 5852 1 314 . 1 1 17 17 C H3' H 1 4.230 0.01 . 1 . . . . . . . . 5852 1 315 . 1 1 17 17 C H4' H 1 4.355 0.01 . 1 . . . . . . . . 5852 1 316 . 1 1 17 17 C H5' H 1 4.475 0.01 . 2 . . . . . . . . 5852 1 317 . 1 1 17 17 C H5'' H 1 4.098 0.01 . 2 . . . . . . . . 5852 1 318 . 1 1 17 17 C C1' C 13 94.404 0.2 . 1 . . . . . . . . 5852 1 319 . 1 1 17 17 C C2' C 13 75.929 0.2 . 1 . . . . . . . . 5852 1 320 . 1 1 17 17 C C3' C 13 72.532 0.2 . 1 . . . . . . . . 5852 1 321 . 1 1 17 17 C C4' C 13 82.093 0.2 . 1 . . . . . . . . 5852 1 322 . 1 1 17 17 C C5' C 13 65.521 0.2 . 1 . . . . . . . . 5852 1 323 . 1 1 18 18 G H21 H 1 6.661 0.01 . 1 . . . . . . . . 5852 1 324 . 1 1 18 18 G H22 H 1 6.661 0.01 . 1 . . . . . . . . 5852 1 325 . 1 1 18 18 G H8 H 1 8.027 0.01 . 1 . . . . . . . . 5852 1 326 . 1 1 18 18 G C8 C 13 138.160 0.2 . 1 . . . . . . . . 5852 1 327 . 1 1 18 18 G N2 N 15 77.378 0.2 . 1 . . . . . . . . 5852 1 328 . 1 1 18 18 G N9 N 15 169.515 0.2 . 1 . . . . . . . . 5852 1 329 . 1 1 18 18 G H1' H 1 5.555 0.01 . 1 . . . . . . . . 5852 1 330 . 1 1 18 18 G H2' H 1 4.586 0.01 . 1 . . . . . . . . 5852 1 331 . 1 1 18 18 G H3' H 1 4.844 0.01 . 1 . . . . . . . . 5852 1 332 . 1 1 18 18 G H4' H 1 4.522 0.01 . 1 . . . . . . . . 5852 1 333 . 1 1 18 18 G H5' H 1 4.238 0.01 . 2 . . . . . . . . 5852 1 334 . 1 1 18 18 G H5'' H 1 4.150 0.01 . 2 . . . . . . . . 5852 1 335 . 1 1 18 18 G C1' C 13 90.584 0.2 . 1 . . . . . . . . 5852 1 336 . 1 1 18 18 G C2' C 13 76.980 0.2 . 1 . . . . . . . . 5852 1 337 . 1 1 18 18 G C3' C 13 75.943 0.2 . 1 . . . . . . . . 5852 1 338 . 1 1 18 18 G C4' C 13 85.262 0.2 . 1 . . . . . . . . 5852 1 339 . 1 1 18 18 G C5' C 13 66.583 0.2 . 1 . . . . . . . . 5852 1 340 . 1 1 19 19 A H2 H 1 7.675 0.01 . 1 . . . . . . . . 5852 1 341 . 1 1 19 19 A H61 H 1 6.774 0.01 . 1 . . . . . . . . 5852 1 342 . 1 1 19 19 A H62 H 1 6.774 0.01 . 1 . . . . . . . . 5852 1 343 . 1 1 19 19 A H8 H 1 7.773 0.01 . 1 . . . . . . . . 5852 1 344 . 1 1 19 19 A C2 C 13 154.079 0.2 . 1 . . . . . . . . 5852 1 345 . 1 1 19 19 A C8 C 13 140.284 0.2 . 1 . . . . . . . . 5852 1 346 . 1 1 19 19 A N1 N 15 224.493 0.2 . 1 . . . . . . . . 5852 1 347 . 1 1 19 19 A N3 N 15 215.402 0.2 . 1 . . . . . . . . 5852 1 348 . 1 1 19 19 A N6 N 15 81.900 0.2 . 1 . . . . . . . . 5852 1 349 . 1 1 19 19 A N9 N 15 169.930 0.2 . 1 . . . . . . . . 5852 1 350 . 1 1 19 19 A H1' H 1 5.544 0.01 . 1 . . . . . . . . 5852 1 351 . 1 1 19 19 A H2' H 1 4.631 0.01 . 1 . . . . . . . . 5852 1 352 . 1 1 19 19 A H3' H 1 4.453 0.01 . 1 . . . . . . . . 5852 1 353 . 1 1 19 19 A H4' H 1 4.468 0.01 . 1 . . . . . . . . 5852 1 354 . 1 1 19 19 A H5' H 1 4.427 0.01 . 2 . . . . . . . . 5852 1 355 . 1 1 19 19 A H5'' H 1 4.232 0.01 . 2 . . . . . . . . 5852 1 356 . 1 1 19 19 A C1' C 13 92.283 0.2 . 1 . . . . . . . . 5852 1 357 . 1 1 19 19 A C2' C 13 75.758 0.2 . 1 . . . . . . . . 5852 1 358 . 1 1 19 19 A C3' C 13 74.229 0.2 . 1 . . . . . . . . 5852 1 359 . 1 1 19 19 A C4' C 13 82.480 0.2 . 1 . . . . . . . . 5852 1 360 . 1 1 19 19 A C5' C 13 67.428 0.2 . 1 . . . . . . . . 5852 1 361 . 1 1 20 20 G H1 H 1 13.129 0.01 . 1 . . . . . . . . 5852 1 362 . 1 1 20 20 G H8 H 1 7.565 0.01 . 1 . . . . . . . . 5852 1 363 . 1 1 20 20 G C8 C 13 136.438 0.2 . 1 . . . . . . . . 5852 1 364 . 1 1 20 20 G N1 N 15 149.023 0.2 . 1 . . . . . . . . 5852 1 365 . 1 1 20 20 G N2 N 15 74.823 0.2 . 1 . . . . . . . . 5852 1 366 . 1 1 20 20 G N9 N 15 168.757 0.2 . 1 . . . . . . . . 5852 1 367 . 1 1 20 20 G H1' H 1 4.098 0.01 . 1 . . . . . . . . 5852 1 368 . 1 1 20 20 G H2' H 1 4.287 0.01 . 1 . . . . . . . . 5852 1 369 . 1 1 20 20 G H3' H 1 4.250 0.01 . 1 . . . . . . . . 5852 1 370 . 1 1 20 20 G H4' H 1 4.255 0.01 . 1 . . . . . . . . 5852 1 371 . 1 1 20 20 G H5' H 1 4.222 0.01 . 2 . . . . . . . . 5852 1 372 . 1 1 20 20 G H5'' H 1 4.113 0.01 . 2 . . . . . . . . 5852 1 373 . 1 1 20 20 G C1' C 13 92.283 0.2 . 1 . . . . . . . . 5852 1 374 . 1 1 20 20 G C2' C 13 74.653 0.2 . 1 . . . . . . . . 5852 1 375 . 1 1 20 20 G C3' C 13 73.592 0.2 . 1 . . . . . . . . 5852 1 376 . 1 1 20 20 G C4' C 13 82.305 0.2 . 1 . . . . . . . . 5852 1 377 . 1 1 20 20 G C5' C 13 67.002 0.2 . 1 . . . . . . . . 5852 1 378 . 1 1 21 21 C H41 H 1 8.532 0.01 . 1 . . . . . . . . 5852 1 379 . 1 1 21 21 C H42 H 1 6.798 0.01 . 1 . . . . . . . . 5852 1 380 . 1 1 21 21 C H5 H 1 5.180 0.01 . 1 . . . . . . . . 5852 1 381 . 1 1 21 21 C H6 H 1 7.567 0.01 . 1 . . . . . . . . 5852 1 382 . 1 1 21 21 C C5 C 13 96.956 0.2 . 1 . . . . . . . . 5852 1 383 . 1 1 21 21 C C6 C 13 141.346 0.2 . 1 . . . . . . . . 5852 1 384 . 1 1 21 21 C N1 N 15 151.039 0.2 . 1 . . . . . . . . 5852 1 385 . 1 1 21 21 C N3 N 15 197.526 0.2 . 1 . . . . . . . . 5852 1 386 . 1 1 21 21 C N4 N 15 98.543 0.2 . 1 . . . . . . . . 5852 1 387 . 1 1 21 21 C H1' H 1 5.465 0.01 . 1 . . . . . . . . 5852 1 388 . 1 1 21 21 C H2' H 1 4.351 0.01 . 1 . . . . . . . . 5852 1 389 . 1 1 21 21 C H3' H 1 4.380 0.01 . 1 . . . . . . . . 5852 1 390 . 1 1 21 21 C H4' H 1 4.368 0.01 . 1 . . . . . . . . 5852 1 391 . 1 1 21 21 C H5' H 1 4.432 0.01 . 2 . . . . . . . . 5852 1 392 . 1 1 21 21 C H5'' H 1 4.021 0.01 . 2 . . . . . . . . 5852 1 393 . 1 1 21 21 C C1' C 13 94.196 0.2 . 1 . . . . . . . . 5852 1 394 . 1 1 21 21 C C2' C 13 75.291 0.2 . 1 . . . . . . . . 5852 1 395 . 1 1 21 21 C C3' C 13 72.106 0.2 . 1 . . . . . . . . 5852 1 396 . 1 1 21 21 C C4' C 13 82.088 0.2 . 1 . . . . . . . . 5852 1 397 . 1 1 21 21 C C5' C 13 64.705 0.2 . 1 . . . . . . . . 5852 1 398 . 1 1 22 22 U H3 H 1 14.246 0.01 . 1 . . . . . . . . 5852 1 399 . 1 1 22 22 U H5 H 1 5.401 0.01 . 1 . . . . . . . . 5852 1 400 . 1 1 22 22 U H6 H 1 7.916 0.01 . 1 . . . . . . . . 5852 1 401 . 1 1 22 22 U C5 C 13 103.343 0.2 . 1 . . . . . . . . 5852 1 402 . 1 1 22 22 U C6 C 13 142.195 0.2 . 1 . . . . . . . . 5852 1 403 . 1 1 22 22 U N1 N 15 146.743 0.2 . 1 . . . . . . . . 5852 1 404 . 1 1 22 22 U N3 N 15 162.831 0.2 . 1 . . . . . . . . 5852 1 405 . 1 1 22 22 U H1' H 1 5.573 0.01 . 1 . . . . . . . . 5852 1 406 . 1 1 22 22 U H2' H 1 4.307 0.01 . 1 . . . . . . . . 5852 1 407 . 1 1 22 22 U H3' H 1 4.535 0.01 . 1 . . . . . . . . 5852 1 408 . 1 1 22 22 U H4' H 1 4.382 0.01 . 1 . . . . . . . . 5852 1 409 . 1 1 22 22 U H5' H 1 4.551 0.01 . 2 . . . . . . . . 5852 1 410 . 1 1 22 22 U H5'' H 1 4.051 0.01 . 2 . . . . . . . . 5852 1 411 . 1 1 22 22 U C1' C 13 93.991 0.2 . 1 . . . . . . . . 5852 1 412 . 1 1 22 22 U C2' C 13 75.291 0.2 . 1 . . . . . . . . 5852 1 413 . 1 1 22 22 U C3' C 13 71.893 0.2 . 1 . . . . . . . . 5852 1 414 . 1 1 22 22 U C4' C 13 82.093 0.2 . 1 . . . . . . . . 5852 1 415 . 1 1 22 22 U C5' C 13 64.257 0.2 . 1 . . . . . . . . 5852 1 416 . 1 1 23 23 C H41 H 1 8.227 0.01 . 1 . . . . . . . . 5852 1 417 . 1 1 23 23 C H42 H 1 6.983 0.01 . 1 . . . . . . . . 5852 1 418 . 1 1 23 23 C H5 H 1 5.676 0.01 . 1 . . . . . . . . 5852 1 419 . 1 1 23 23 C H6 H 1 7.750 0.01 . 1 . . . . . . . . 5852 1 420 . 1 1 23 23 C C5 C 13 97.834 0.2 . 1 . . . . . . . . 5852 1 421 . 1 1 23 23 C C6 C 13 142.408 0.2 . 1 . . . . . . . . 5852 1 422 . 1 1 23 23 C N1 N 15 152.693 0.2 . 1 . . . . . . . . 5852 1 423 . 1 1 23 23 C N4 N 15 97.316 0.2 . 1 . . . . . . . . 5852 1 424 . 1 1 23 23 C H1' H 1 5.829 0.01 . 1 . . . . . . . . 5852 1 425 . 1 1 23 23 C H2' H 1 3.983 0.01 . 1 . . . . . . . . 5852 1 426 . 1 1 23 23 C H3' H 1 4.185 0.01 . 1 . . . . . . . . 5852 1 427 . 1 1 23 23 C H4' H 1 4.175 0.01 . 1 . . . . . . . . 5852 1 428 . 1 1 23 23 C H5' H 1 4.472 0.01 . 2 . . . . . . . . 5852 1 429 . 1 1 23 23 C H5'' H 1 4.027 0.01 . 2 . . . . . . . . 5852 1 430 . 1 1 23 23 C C1' C 13 92.698 0.2 . 1 . . . . . . . . 5852 1 431 . 1 1 23 23 C C2' C 13 77.403 0.2 . 1 . . . . . . . . 5852 1 432 . 1 1 23 23 C C3' C 13 69.982 0.2 . 1 . . . . . . . . 5852 1 433 . 1 1 23 23 C C4' C 13 83.353 0.2 . 1 . . . . . . . . 5852 1 434 . 1 1 23 23 C C5' C 13 65.296 0.2 . 1 . . . . . . . . 5852 1 stop_ save_