data_17601 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17601 _Entry.Title ; Solution structure of the MLV readthrough pseudoknot ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-26 _Entry.Accession_date 2011-04-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Brian Houck-Loomis . . . 17601 2 Michael Durney . A. . 17601 3 Victoria D'Souza . M. . 17601 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17601 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID frameshift . 17601 MLV . 17601 NMR . 17601 pseudoknot . 17601 RNA . 17601 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17601 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 92 17601 '1H chemical shifts' 182 17601 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-08 2011-04-26 update BMRB 'update entry citation' 17601 1 . . 2011-12-02 2011-04-26 original author 'original release' 17601 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LC8 'BMRB Entry Tracking System' 17601 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17601 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22121021 _Citation.Full_citation . _Citation.Title 'An equilibrium-dependent retroviral mRNA switch regulates translational recoding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 480 _Citation.Journal_issue 7378 _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 561 _Citation.Page_last 564 _Citation.Year 2011 _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 Brian Houck-Loomis . . . 17601 1 2 Michael Durney . A. . 17601 1 3 Carolina Salguero . . . 17601 1 4 Neelaabh Shankar . . . 17601 1 5 Julia Nagle . M. . 17601 1 6 Stephen Goff . P. . 17601 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17601 _Assembly.ID 1 _Assembly.Name 'MLV readthrough pseudoknot' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RNA_(59-MER) 1 $RNA_(59-MER) A . yes native no no . . . 17601 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(59-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(59-MER) _Entity.Entry_ID 17601 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(59-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGAGGUCAGGGUCAGGAGCC CCCCCCUGAACCCAGGAUAA CCCUCAAAGUCGGGGGGCAA CCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 111.103 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 17601 1 2 . G . 17601 1 3 . A . 17601 1 4 . G . 17601 1 5 . G . 17601 1 6 . U . 17601 1 7 . C . 17601 1 8 . A . 17601 1 9 . G . 17601 1 10 . G . 17601 1 11 . G . 17601 1 12 . U . 17601 1 13 . C . 17601 1 14 . A . 17601 1 15 . G . 17601 1 16 . G . 17601 1 17 . A . 17601 1 18 . G . 17601 1 19 . C . 17601 1 20 . C . 17601 1 21 . C . 17601 1 22 . C . 17601 1 23 . C . 17601 1 24 . C . 17601 1 25 . C . 17601 1 26 . C . 17601 1 27 . U . 17601 1 28 . G . 17601 1 29 . A . 17601 1 30 . A . 17601 1 31 . C . 17601 1 32 . C . 17601 1 33 . C . 17601 1 34 . A . 17601 1 35 . G . 17601 1 36 . G . 17601 1 37 . A . 17601 1 38 . U . 17601 1 39 . A . 17601 1 40 . A . 17601 1 41 . C . 17601 1 42 . C . 17601 1 43 . C . 17601 1 44 . U . 17601 1 45 . C . 17601 1 46 . A . 17601 1 47 . A . 17601 1 48 . A . 17601 1 49 . G . 17601 1 50 . U . 17601 1 51 . C . 17601 1 52 . G . 17601 1 53 . G . 17601 1 54 . G . 17601 1 55 . G . 17601 1 56 . G . 17601 1 57 . G . 17601 1 58 . C . 17601 1 59 . A . 17601 1 60 . A . 17601 1 61 . C . 17601 1 62 . C . 17601 1 63 . C . 17601 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 17601 1 . G 2 2 17601 1 . A 3 3 17601 1 . G 4 4 17601 1 . G 5 5 17601 1 . U 6 6 17601 1 . C 7 7 17601 1 . A 8 8 17601 1 . G 9 9 17601 1 . G 10 10 17601 1 . G 11 11 17601 1 . U 12 12 17601 1 . C 13 13 17601 1 . A 14 14 17601 1 . G 15 15 17601 1 . G 16 16 17601 1 . A 17 17 17601 1 . G 18 18 17601 1 . C 19 19 17601 1 . C 20 20 17601 1 . C 21 21 17601 1 . C 22 22 17601 1 . C 23 23 17601 1 . C 24 24 17601 1 . C 25 25 17601 1 . C 26 26 17601 1 . U 27 27 17601 1 . G 28 28 17601 1 . A 29 29 17601 1 . A 30 30 17601 1 . C 31 31 17601 1 . C 32 32 17601 1 . C 33 33 17601 1 . A 34 34 17601 1 . G 35 35 17601 1 . G 36 36 17601 1 . A 37 37 17601 1 . U 38 38 17601 1 . A 39 39 17601 1 . A 40 40 17601 1 . C 41 41 17601 1 . C 42 42 17601 1 . C 43 43 17601 1 . U 44 44 17601 1 . C 45 45 17601 1 . A 46 46 17601 1 . A 47 47 17601 1 . A 48 48 17601 1 . G 49 49 17601 1 . U 50 50 17601 1 . C 51 51 17601 1 . G 52 52 17601 1 . G 53 53 17601 1 . G 54 54 17601 1 . G 55 55 17601 1 . G 56 56 17601 1 . G 57 57 17601 1 . C 58 58 17601 1 . A 59 59 17601 1 . A 60 60 17601 1 . C 61 61 17601 1 . C 62 62 17601 1 . C 63 63 17601 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 17601 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(59-MER) . 11801 virus . 'Moloney murine leukemia virus (MLV)' MMLV . 00.061.1.02.014.00.001 Viruses . . 'murine leukemia virus' . . . . . . . . . . . . . . . . . . . . . 17601 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 17601 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(59-MER) . 'recombinant technology' 'None: in vitro transcription' . . . . . . . . . . . . . . . . . . . . . pUC19 . . . . . . 17601 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MLV-PK _Sample.Sf_category sample _Sample.Sf_framecode MLV-PK _Sample.Entry_ID 17601 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.4' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' 'natural abundance' . . 1 $RNA_(59-MER) . . . 0.2 2.0 mM . . . . 17601 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17601 1 stop_ save_ save_MLV-PK-AC-13C_15N _Sample.Sf_category sample _Sample.Sf_framecode MLV-PK-AC-13C_15N _Sample.Entry_ID 17601 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(59-MER) . . . 0.2 2.0 mM . . . . 17601 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17601 2 stop_ save_ save_MLV-PK-AC-2H _Sample.Sf_category sample _Sample.Sf_framecode MLV-PK-AC-2H _Sample.Entry_ID 17601 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (59-MER)' '[U-100% 2H]' . . 1 $RNA_(59-MER) . . . 0.2 2.0 mM . . . . 17601 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17601 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17601 _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' 0.02 . M 17601 1 pH 7.4 . pH 17601 1 pressure 1 . atm 17601 1 temperature 298 . K 17601 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17601 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17601 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17601 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17601 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17601 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17601 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17601 1 2 spectrometer_2 Bruker Avance . 900 . . . 17601 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 17601 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $MLV-PK isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17601 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $MLV-PK-AC-13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17601 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $MLV-PK-AC-13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17601 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $MLV-PK-AC-2H isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17601 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $MLV-PK-AC-13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17601 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $MLV-PK isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17601 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17601 _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 water protons . . . . ppm 4.7 internal indirect . . . . . . . . . . 17601 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 17601 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . . . . . 17601 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17601 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 17601 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 8.0540 . . 1 . . . . 1 G H8 . 17601 1 2 . 1 1 1 1 G C8 C 13 117.2960 . . 1 . . . . 1 G C8 . 17601 1 3 . 1 1 2 2 G H8 H 1 7.9600 . . 1 . . . . 2 G H8 . 17601 1 4 . 1 1 2 2 G C8 C 13 115.8820 . . 1 . . . . 2 G C8 . 17601 1 5 . 1 1 3 3 A H1' H 1 6.0142 . . 1 . . . . 3 A H1' . 17601 1 6 . 1 1 3 3 A H2 H 1 7.7280 . . 1 . . . . 3 A H2 . 17601 1 7 . 1 1 3 3 A H2' H 1 4.7864 . . 1 . . . . 3 A H2' . 17601 1 8 . 1 1 3 3 A H8 H 1 8.0139 . . 1 . . . . 3 A H8 . 17601 1 9 . 1 1 3 3 A C1' C 13 127.2370 . . 1 . . . . 3 A C1' . 17601 1 10 . 1 1 3 3 A C2 C 13 130.9750 . . 1 . . . . 3 A C2 . 17601 1 11 . 1 1 3 3 A C8 C 13 117.6520 . . 1 . . . . 3 A C8 . 17601 1 12 . 1 1 4 4 G H8 H 1 7.1229 . . 1 . . . A 4 G H8 . 17601 1 13 . 1 1 4 4 G C8 C 13 113.4130 . . 1 . . . A 4 G C8 . 17601 1 14 . 1 1 5 5 G H8 H 1 7.2680 . . 1 . . . A 5 G H8 . 17601 1 15 . 1 1 5 5 G C8 C 13 114.0730 . . 1 . . . A 5 G C8 . 17601 1 16 . 1 1 6 6 U H3 H 1 13.9750 . . 1 . . . A 6 U H3 . 17601 1 17 . 1 1 6 6 U H5 H 1 5.3520 . . 1 . . . A 6 U H5 . 17601 1 18 . 1 1 6 6 U H6 H 1 7.6560 . . 1 . . . A 6 U H6 . 17601 1 19 . 1 1 6 6 U C5 C 13 101.7330 . . 1 . . . A 6 U C5 . 17601 1 20 . 1 1 6 6 U C6 C 13 100.5490 . . 1 . . . A 6 U C6 . 17601 1 21 . 1 1 7 7 C H1' H 1 5.5584 . . 1 . . . . 7 C H1' . 17601 1 22 . 1 1 7 7 C H2' H 1 4.4320 . . 1 . . . . 7 C H2' . 17601 1 23 . 1 1 7 7 C H3' H 1 4.3784 . . 1 . . . . 7 C H3' . 17601 1 24 . 1 1 7 7 C H4' H 1 4.5554 . . 1 . . . . 7 C H4' . 17601 1 25 . 1 1 7 7 C H5 H 1 5.8348 . . 1 . . . A 7 C H5 . 17601 1 26 . 1 1 7 7 C H6 H 1 7.7770 . . 1 . . . A 7 C H6 . 17601 1 27 . 1 1 7 7 C C1' C 13 100.3130 . . 1 . . . . 7 C C1' . 17601 1 28 . 1 1 8 8 A H1' H 1 5.9874 . . 1 . . . . 8 A H1' . 17601 1 29 . 1 1 8 8 A H2' H 1 4.5800 . . 1 . . . . 8 A H2' . 17601 1 30 . 1 1 8 8 A H3' H 1 4.5041 . . 1 . . . . 8 A H3' . 17601 1 31 . 1 1 8 8 A H4' H 1 4.1998 . . 1 . . . . 8 A H4' . 17601 1 32 . 1 1 8 8 A H8 H 1 8.1581 . . 1 . . . A 8 A H8 . 17601 1 33 . 1 1 8 8 A C1' C 13 108.8990 . . 1 . . . . 8 A C1' . 17601 1 34 . 1 1 8 8 A C2 C 13 132.3860 . . 1 . . . A 8 A C2 . 17601 1 35 . 1 1 8 8 A C8 C 13 117.8450 . . 1 . . . A 8 A C8 . 17601 1 36 . 1 1 9 9 G H1 H 1 12.5760 . . 1 . . . A 9 G H1 . 17601 1 37 . 1 1 9 9 G H8 H 1 7.2659 . . 1 . . . A 9 G H8 . 17601 1 38 . 1 1 9 9 G C8 C 13 114.0940 . . 1 . . . A 9 G C8 . 17601 1 39 . 1 1 10 10 G H1 H 1 12.8610 . . 1 . . . A 10 G H1 . 17601 1 40 . 1 1 10 10 G H8 H 1 7.2390 . . 1 . . . A 10 G H8 . 17601 1 41 . 1 1 10 10 G C8 C 13 113.2550 . . 1 . . . A 10 G C8 . 17601 1 42 . 1 1 11 11 G H1 H 1 12.9720 . . 1 . . . A 11 G H1 . 17601 1 43 . 1 1 11 11 G H8 H 1 6.9780 . . 1 . . . A 11 G H8 . 17601 1 44 . 1 1 11 11 G C8 C 13 112.8530 . . 1 . . . A 11 G C8 . 17601 1 45 . 1 1 12 12 U H3 H 1 13.7440 . . 1 . . . A 12 U H3 . 17601 1 46 . 1 1 12 12 U H5 H 1 4.9750 . . 1 . . . A 12 U H5 . 17601 1 47 . 1 1 12 12 U H6 H 1 7.4790 . . 1 . . . A 12 U H6 . 17601 1 48 . 1 1 12 12 U C5 C 13 100.3760 . . 1 . . . A 12 U C5 . 17601 1 49 . 1 1 12 12 U C6 C 13 100.3020 . . 1 . . . A 12 U C6 . 17601 1 50 . 1 1 13 13 C H1' H 1 5.4177 . . 1 . . . . 13 C H1' . 17601 1 51 . 1 1 13 13 C H5 H 1 5.6563 . . 1 . . . A 13 C H5 . 17601 1 52 . 1 1 13 13 C H6 H 1 8.0111 . . 1 . . . A 13 C H6 . 17601 1 53 . 1 1 14 14 A H1' H 1 5.6915 . . 1 . . . . 14 A H1' . 17601 1 54 . 1 1 14 14 A H2 H 1 7.0770 . . 1 . . . A 14 A H2 . 17601 1 55 . 1 1 14 14 A H8 H 1 7.9551 . . 1 . . . A 14 A H8 . 17601 1 56 . 1 1 14 14 A C1' C 13 130.3850 . . 1 . . . . 14 A C1' . 17601 1 57 . 1 1 14 14 A C2 C 13 109.7070 . . 1 . . . A 14 A C2 . 17601 1 58 . 1 1 14 14 A C8 C 13 136.9100 . . 1 . . . A 14 A C8 . 17601 1 59 . 1 1 15 15 G H1 H 1 13.0660 . . 1 . . . A 15 G H1 . 17601 1 60 . 1 1 15 15 G H8 H 1 7.1527 . . 1 . . . A 15 G H8 . 17601 1 61 . 1 1 15 15 G C8 C 13 113.4630 . . 1 . . . A 15 G C8 . 17601 1 62 . 1 1 16 16 G H1 H 1 12.4880 . . 1 . . . A 16 G H1 . 17601 1 63 . 1 1 16 16 G H8 H 1 7.3260 . . 1 . . . A 16 G H8 . 17601 1 64 . 1 1 16 16 G C8 C 13 114.1280 . . 1 . . . A 16 G C8 . 17601 1 65 . 1 1 17 17 A H1' H 1 6.1874 . . 1 . . . . 17 A H1' . 17601 1 66 . 1 1 17 17 A H2 H 1 8.2570 . . 1 . . . A 17 A H2 . 17601 1 67 . 1 1 17 17 A H2' H 1 5.0209 . . 1 . . . . 17 A H2' . 17601 1 68 . 1 1 17 17 A H3' H 1 4.9283 . . 1 . . . . 17 A H3' . 17601 1 69 . 1 1 17 17 A H4' H 1 4.5415 . . 1 . . . . 17 A H4' . 17601 1 70 . 1 1 17 17 A H5' H 1 4.1239 . . 2 . . . . 17 A H5' . 17601 1 71 . 1 1 17 17 A H8 H 1 8.4726 . . 1 . . . A 17 A H8 . 17601 1 72 . 1 1 17 17 A C1' C 13 106.0130 . . 1 . . . . 17 A C1' . 17601 1 73 . 1 1 17 17 A C2 C 13 112.8930 . . 1 . . . A 17 A C2 . 17601 1 74 . 1 1 17 17 A C8 C 13 119.8730 . . 1 . . . A 17 A C8 . 17601 1 75 . 1 1 18 18 G H8 H 1 8.0790 . . 1 . . . A 18 G H8 . 17601 1 76 . 1 1 18 18 G C8 C 13 116.3050 . . 1 . . . A 18 G C8 . 17601 1 77 . 1 1 19 19 C H1' H 1 5.5221 . . 1 . . . . 19 C H1' . 17601 1 78 . 1 1 19 19 C H2' H 1 4.2472 . . 1 . . . . 19 C H2' . 17601 1 79 . 1 1 19 19 C H5 H 1 5.1741 . . 1 . . . A 19 C H5 . 17601 1 80 . 1 1 19 19 C H6 H 1 7.9754 . . 1 . . . A 19 C H6 . 17601 1 81 . 1 1 20 20 C H1' H 1 5.4863 . . 1 . . . . 20 C H1' . 17601 1 82 . 1 1 20 20 C H2' H 1 4.2001 . . 1 . . . . 20 C H2' . 17601 1 83 . 1 1 20 20 C H5 H 1 5.3105 . . 1 . . . A 20 C H5 . 17601 1 84 . 1 1 20 20 C H6 H 1 7.8328 . . 1 . . . A 20 C H6 . 17601 1 85 . 1 1 21 21 C H1' H 1 5.9298 . . 1 . . . . 21 C H1' . 17601 1 86 . 1 1 21 21 C H2' H 1 4.1992 . . 1 . . . . 21 C H2' . 17601 1 87 . 1 1 21 21 C H5 H 1 5.3172 . . 1 . . . A 21 C H5 . 17601 1 88 . 1 1 21 21 C H6 H 1 7.3136 . . 1 . . . A 21 C H6 . 17601 1 89 . 1 1 22 22 C H1' H 1 5.4089 . . 1 . . . . 22 C H1' . 17601 1 90 . 1 1 22 22 C H5 H 1 5.3449 . . 1 . . . A 22 C H5 . 17601 1 91 . 1 1 22 22 C H6 H 1 7.7379 . . 1 . . . A 22 C H6 . 17601 1 92 . 1 1 23 23 C H1' H 1 5.3847 . . 1 . . . . 23 C H1' . 17601 1 93 . 1 1 23 23 C H5 H 1 5.3522 . . 1 . . . A 23 C H5 . 17601 1 94 . 1 1 23 23 C H6 H 1 7.6505 . . 1 . . . A 23 C H6 . 17601 1 95 . 1 1 24 24 C H1' H 1 5.3166 . . 1 . . . . 24 C H1' . 17601 1 96 . 1 1 24 24 C H2' H 1 4.5188 . . 1 . . . . 24 C H2' . 17601 1 97 . 1 1 24 24 C H5 H 1 5.4596 . . 1 . . . A 24 C H5 . 17601 1 98 . 1 1 24 24 C H6 H 1 7.4835 . . 1 . . . A 24 C H6 . 17601 1 99 . 1 1 24 24 C C6 C 13 117.9620 . . 1 . . . A 24 C C6 . 17601 1 100 . 1 1 25 25 C H1' H 1 5.3852 . . 1 . . . . 25 C H1' . 17601 1 101 . 1 1 25 25 C H5 H 1 5.5246 . . 1 . . . A 25 C H5 . 17601 1 102 . 1 1 25 25 C H6 H 1 7.7828 . . 1 . . . A 25 C H6 . 17601 1 103 . 1 1 25 25 C C5 C 13 115.3480 . . 1 . . . A 25 C C5 . 17601 1 104 . 1 1 26 26 C H1' H 1 5.2834 . . 1 . . . . 26 C H1' . 17601 1 105 . 1 1 26 26 C H2' H 1 4.3641 . . 1 . . . . 26 C H2' . 17601 1 106 . 1 1 26 26 C H5 H 1 5.4945 . . 1 . . . A 26 C H5 . 17601 1 107 . 1 1 26 26 C H6 H 1 7.7956 . . 1 . . . A 26 C H6 . 17601 1 108 . 1 1 26 26 C C5 C 13 115.2920 . . 1 . . . A 26 C C5 . 17601 1 109 . 1 1 27 27 U H3 H 1 13.6880 . . 1 . . . A 27 U H3 . 17601 1 110 . 1 1 27 27 U H5 H 1 5.4660 . . 1 . . . A 27 U H5 . 17601 1 111 . 1 1 27 27 U H6 H 1 7.8360 . . 1 . . . A 27 U H6 . 17601 1 112 . 1 1 27 27 U C5 C 13 102.2440 . . 1 . . . A 27 U C5 . 17601 1 113 . 1 1 27 27 U C6 C 13 100.5970 . . 1 . . . A 27 U C6 . 17601 1 114 . 1 1 28 28 G H1 H 1 11.9480 . . 1 . . . A 28 G H1 . 17601 1 115 . 1 1 28 28 G H8 H 1 7.7550 . . 1 . . . A 28 G H8 . 17601 1 116 . 1 1 28 28 G C8 C 13 115.2440 . . 1 . . . A 28 G C8 . 17601 1 117 . 1 1 29 29 A H1' H 1 6.0352 . . 1 . . . . 29 A H1' . 17601 1 118 . 1 1 29 29 A H2 H 1 8.0870 . . 1 . . . A 29 A H2 . 17601 1 119 . 1 1 29 29 A H2' H 1 4.9842 . . 1 . . . . 29 A H2' . 17601 1 120 . 1 1 29 29 A H3' H 1 4.9061 . . 1 . . . . 29 A H3' . 17601 1 121 . 1 1 29 29 A H8 H 1 8.1020 . . 1 . . . A 29 A H8 . 17601 1 122 . 1 1 29 29 A C1' C 13 107.9350 . . 1 . . . . 29 A C1' . 17601 1 123 . 1 1 29 29 A C2 C 13 132.7150 . . 1 . . . A 29 A C2 . 17601 1 124 . 1 1 29 29 A C8 C 13 118.9130 . . 1 . . . A 29 A C8 . 17601 1 125 . 1 1 30 30 A H1' H 1 6.0194 . . 1 . . . . 30 A H1' . 17601 1 126 . 1 1 30 30 A H2 H 1 7.8316 . . 1 . . . A 30 A H2 . 17601 1 127 . 1 1 30 30 A H8 H 1 8.3929 . . 1 . . . A 30 A H8 . 17601 1 128 . 1 1 30 30 A C1' C 13 109.8800 . . 1 . . . . 30 A C1' . 17601 1 129 . 1 1 30 30 A C2 C 13 111.8550 . . 1 . . . A 30 A C2 . 17601 1 130 . 1 1 30 30 A C8 C 13 118.6910 . . 1 . . . A 30 A C8 . 17601 1 131 . 1 1 31 31 C H1' H 1 5.4123 . . 1 . . . . 31 C H1' . 17601 1 132 . 1 1 31 31 C H5 H 1 5.1383 . . 1 . . . A 31 C H5 . 17601 1 133 . 1 1 31 31 C H6 H 1 7.5279 . . 1 . . . A 31 C H6 . 17601 1 134 . 1 1 31 31 C C5 C 13 114.6490 . . 1 . . . A 31 C C5 . 17601 1 135 . 1 1 31 31 C C6 C 13 118.7770 . . 1 . . . A 31 C C6 . 17601 1 136 . 1 1 32 32 C H1' H 1 5.4170 . . 1 . . . . 32 C H1' . 17601 1 137 . 1 1 32 32 C H5 H 1 5.3108 . . 1 . . . A 32 C H5 . 17601 1 138 . 1 1 32 32 C H6 H 1 7.6732 . . 1 . . . A 32 C H6 . 17601 1 139 . 1 1 33 33 C H1' H 1 5.3516 . . 1 . . . . 33 C H1' . 17601 1 140 . 1 1 33 33 C H2' H 1 4.2867 . . 1 . . . . 33 C H2' . 17601 1 141 . 1 1 33 33 C H5 H 1 5.3374 . . 1 . . . A 33 C H5 . 17601 1 142 . 1 1 33 33 C H6 H 1 7.5817 . . 1 . . . A 33 C H6 . 17601 1 143 . 1 1 34 34 A H1' H 1 5.4166 . . 1 . . . . 34 A H1' . 17601 1 144 . 1 1 34 34 A H2 H 1 7.5300 . . 1 . . . A 34 A H2 . 17601 1 145 . 1 1 34 34 A H8 H 1 8.0164 . . 1 . . . A 34 A H8 . 17601 1 146 . 1 1 34 34 A C1' C 13 129.4480 . . 1 . . . . 34 A C1' . 17601 1 147 . 1 1 34 34 A C2 C 13 112.0960 . . 1 . . . A 34 A C2 . 17601 1 148 . 1 1 34 34 A C8 C 13 116.9510 . . 1 . . . A 34 A C8 . 17601 1 149 . 1 1 35 35 G H8 H 1 7.0560 . . 1 . . . A 35 G H8 . 17601 1 150 . 1 1 35 35 G C8 C 13 113.3720 . . 1 . . . A 35 G C8 . 17601 1 151 . 1 1 36 36 G H8 H 1 7.1840 . . 1 . . . A 36 G H8 . 17601 1 152 . 1 1 36 36 G C8 C 13 113.0680 . . 1 . . . A 36 G C8 . 17601 1 153 . 1 1 37 37 A H1' H 1 5.7214 . . 1 . . . . 37 A H1' . 17601 1 154 . 1 1 37 37 A H2 H 1 7.8370 . . 1 . . . A 37 A H2 . 17601 1 155 . 1 1 37 37 A H8 H 1 7.8378 . . 1 . . . A 37 A H8 . 17601 1 156 . 1 1 37 37 A C2 C 13 111.8040 . . 1 . . . A 37 A C2 . 17601 1 157 . 1 1 37 37 A C8 C 13 117.8380 . . 1 . . . A 37 A C8 . 17601 1 158 . 1 1 38 38 U H5 H 1 5.3270 . . 1 . . . A 38 U H5 . 17601 1 159 . 1 1 38 38 U H6 H 1 7.3660 . . 1 . . . A 38 U H6 . 17601 1 160 . 1 1 38 38 U C5 C 13 102.0450 . . 1 . . . A 38 U C5 . 17601 1 161 . 1 1 38 38 U C6 C 13 100.1400 . . 1 . . . A 38 U C6 . 17601 1 162 . 1 1 39 39 A H1' H 1 5.6038 . . 1 . . . . 39 A H1' . 17601 1 163 . 1 1 39 39 A H2 H 1 7.9630 . . 1 . . . A 39 A H2 . 17601 1 164 . 1 1 39 39 A H2' H 1 4.5155 . . 1 . . . . 39 A H2' . 17601 1 165 . 1 1 39 39 A H8 H 1 8.0301 . . 1 . . . A 39 A H8 . 17601 1 166 . 1 1 39 39 A C1' C 13 107.6070 . . 1 . . . . 39 A C1' . 17601 1 167 . 1 1 39 39 A C2 C 13 132.3200 . . 1 . . . A 39 A C2 . 17601 1 168 . 1 1 39 39 A C8 C 13 119.1370 . . 1 . . . A 39 A C8 . 17601 1 169 . 1 1 40 40 A H1' H 1 5.8399 . . 1 . . . . 40 A H1' . 17601 1 170 . 1 1 40 40 A H2 H 1 7.9620 . . 1 . . . A 40 A H2 . 17601 1 171 . 1 1 40 40 A H8 H 1 8.1400 . . 1 . . . A 40 A H8 . 17601 1 172 . 1 1 40 40 A C1' C 13 107.9150 . . 1 . . . . 40 A C1' . 17601 1 173 . 1 1 40 40 A C2 C 13 132.5870 . . 1 . . . A 40 A C2 . 17601 1 174 . 1 1 40 40 A C8 C 13 118.6310 . . 1 . . . A 40 A C8 . 17601 1 175 . 1 1 41 41 C H5 H 1 5.6908 . . 1 . . . A 41 C H5 . 17601 1 176 . 1 1 41 41 C H6 H 1 7.6491 . . 1 . . . A 41 C H6 . 17601 1 177 . 1 1 41 41 C C5 C 13 116.3140 . . 1 . . . A 41 C C5 . 17601 1 178 . 1 1 42 42 C H1' H 1 5.9270 . . 1 . . . . 42 C H1' . 17601 1 179 . 1 1 42 42 C H5 H 1 5.6432 . . 1 . . . A 42 C H5 . 17601 1 180 . 1 1 42 42 C H6 H 1 7.8799 . . 1 . . . A 42 C H6 . 17601 1 181 . 1 1 42 42 C C1' C 13 109.0250 . . 1 . . . . 42 C C1' . 17601 1 182 . 1 1 42 42 C C5 C 13 116.3990 . . 1 . . . A 42 C C5 . 17601 1 183 . 1 1 43 43 C H1' H 1 5.7635 . . 1 . . . . 43 C H1' . 17601 1 184 . 1 1 43 43 C H5 H 1 5.6306 . . 1 . . . A 43 C H5 . 17601 1 185 . 1 1 43 43 C H6 H 1 7.8127 . . 1 . . . A 43 C H6 . 17601 1 186 . 1 1 44 44 U H5 H 1 5.5000 . . 1 . . . A 44 U H5 . 17601 1 187 . 1 1 44 44 U C5 C 13 102.2670 . . 1 . . . A 44 U C5 . 17601 1 188 . 1 1 45 45 C H1' H 1 5.7617 . . 1 . . . . 45 C H1' . 17601 1 189 . 1 1 45 45 C H2' H 1 4.0981 . . 1 . . . . 45 C H2' . 17601 1 190 . 1 1 45 45 C H5 H 1 5.6905 . . 1 . . . A 45 C H5 . 17601 1 191 . 1 1 45 45 C H6 H 1 7.7253 . . 1 . . . A 45 C H6 . 17601 1 192 . 1 1 45 45 C C5 C 13 115.9170 . . 1 . . . A 45 C C5 . 17601 1 193 . 1 1 46 46 A H1' H 1 5.8222 . . 1 . . . . 46 A H1' . 17601 1 194 . 1 1 46 46 A H2 H 1 7.8020 . . 1 . . . A 46 A H2 . 17601 1 195 . 1 1 46 46 A H8 H 1 8.1776 . . 1 . . . A 46 A H8 . 17601 1 196 . 1 1 46 46 A C1' C 13 107.9860 . . 1 . . . . 46 A C1' . 17601 1 197 . 1 1 46 46 A C2 C 13 112.3290 . . 1 . . . A 46 A C2 . 17601 1 198 . 1 1 46 46 A C8 C 13 119.0160 . . 1 . . . A 46 A C8 . 17601 1 199 . 1 1 47 47 A H1' H 1 5.7336 . . 1 . . . . 47 A H1' . 17601 1 200 . 1 1 47 47 A H2 H 1 7.8940 . . 1 . . . A 47 A H2 . 17601 1 201 . 1 1 47 47 A H8 H 1 8.0992 . . 1 . . . A 47 A H8 . 17601 1 202 . 1 1 47 47 A C1' C 13 108.4590 . . 1 . . . . 47 A C1' . 17601 1 203 . 1 1 47 47 A C2 C 13 112.2770 . . 1 . . . A 47 A C2 . 17601 1 204 . 1 1 47 47 A C8 C 13 118.6720 . . 1 . . . A 47 A C8 . 17601 1 205 . 1 1 48 48 A H1' H 1 5.7461 . . 1 . . . . 48 A H1' . 17601 1 206 . 1 1 48 48 A H2 H 1 8.0300 . . 1 . . . A 48 A H2 . 17601 1 207 . 1 1 48 48 A H8 H 1 8.0151 . . 1 . . . A 48 A H8 . 17601 1 208 . 1 1 48 48 A C1' C 13 128.4270 . . 1 . . . . 48 A C1' . 17601 1 209 . 1 1 48 48 A C2 C 13 112.5510 . . 1 . . . A 48 A C2 . 17601 1 210 . 1 1 48 48 A C8 C 13 118.2590 . . 1 . . . A 48 A C8 . 17601 1 211 . 1 1 49 49 G H8 H 1 7.7970 . . 1 . . . A 49 G H8 . 17601 1 212 . 1 1 49 49 G C8 C 13 116.6120 . . 1 . . . A 49 G C8 . 17601 1 213 . 1 1 50 50 U H5 H 1 5.6690 . . 1 . . . A 50 U H5 . 17601 1 214 . 1 1 50 50 U H6 H 1 7.7100 . . 1 . . . A 50 U H6 . 17601 1 215 . 1 1 50 50 U C5 C 13 102.3730 . . 1 . . . A 50 U C5 . 17601 1 216 . 1 1 50 50 U C6 C 13 100.5210 . . 1 . . . A 50 U C6 . 17601 1 217 . 1 1 51 51 C H1' H 1 5.8284 . . 1 . . . . 51 C H1' . 17601 1 218 . 1 1 51 51 C H2' H 1 4.2836 . . 1 . . . . 51 C H2' . 17601 1 219 . 1 1 51 51 C H3' H 1 4.4092 . . 1 . . . . 51 C H3' . 17601 1 220 . 1 1 51 51 C H5 H 1 5.8530 . . 1 . . . A 51 C H5 . 17601 1 221 . 1 1 51 51 C H6 H 1 7.7229 . . 1 . . . A 51 C H6 . 17601 1 222 . 1 1 51 51 C C5 C 13 115.0780 . . 1 . . . A 51 C C5 . 17601 1 223 . 1 1 52 52 G H1 H 1 11.7710 . . 1 . . . A 52 G H1 . 17601 1 224 . 1 1 52 52 G H8 H 1 7.7440 . . 1 . . . A 52 G H8 . 17601 1 225 . 1 1 52 52 G C8 C 13 115.7450 . . 1 . . . A 52 G C8 . 17601 1 226 . 1 1 53 53 G H1 H 1 12.3920 . . 1 . . . A 53 G H1 . 17601 1 227 . 1 1 53 53 G H8 H 1 7.5220 . . 1 . . . A 53 G H8 . 17601 1 228 . 1 1 53 53 G C8 C 13 114.4150 . . 1 . . . A 53 G C8 . 17601 1 229 . 1 1 54 54 G H1 H 1 13.0540 . . 1 . . . A 54 G H1 . 17601 1 230 . 1 1 54 54 G H8 H 1 7.2390 . . 1 . . . A 54 G H8 . 17601 1 231 . 1 1 54 54 G C8 C 13 114.0300 . . 1 . . . A 54 G C8 . 17601 1 232 . 1 1 55 55 G H1 H 1 12.2880 . . 1 . . . A 55 G H1 . 17601 1 233 . 1 1 55 55 G H8 H 1 7.1450 . . 1 . . . A 55 G H8 . 17601 1 234 . 1 1 55 55 G C8 C 13 113.0600 . . 1 . . . A 55 G C8 . 17601 1 235 . 1 1 56 56 G H1 H 1 12.4460 . . 1 . . . A 56 G H1 . 17601 1 236 . 1 1 56 56 G H8 H 1 7.0080 . . 1 . . . A 56 G H8 . 17601 1 237 . 1 1 56 56 G C8 C 13 112.8500 . . 1 . . . A 56 G C8 . 17601 1 238 . 1 1 57 57 G H1 H 1 12.8580 . . 1 . . . A 57 G H1 . 17601 1 239 . 1 1 57 57 G H8 H 1 6.9550 . . 1 . . . A 57 G H8 . 17601 1 240 . 1 1 57 57 G C8 C 13 112.8480 . . 1 . . . A 57 G C8 . 17601 1 241 . 1 1 58 58 C H1' H 1 5.3558 . . 1 . . . . 58 C H1' . 17601 1 242 . 1 1 58 58 C H2' H 1 4.6020 . . 1 . . . . 58 C H2' . 17601 1 243 . 1 1 58 58 C H5 H 1 5.1289 . . 1 . . . A 58 C H5 . 17601 1 244 . 1 1 58 58 C H6 H 1 7.0820 . . 1 . . . A 58 C H6 . 17601 1 245 . 1 1 58 58 C C6 C 13 117.6040 . . 1 . . . A 58 C C6 . 17601 1 246 . 1 1 59 59 A H1' H 1 5.8210 . . 1 . . . . 59 A H1' . 17601 1 247 . 1 1 59 59 A H2 H 1 7.1480 . . 1 . . . A 59 A H2 . 17601 1 248 . 1 1 59 59 A H8 H 1 7.8406 . . 1 . . . A 59 A H8 . 17601 1 249 . 1 1 59 59 A C1' C 13 110.7400 . . 1 . . . . 59 A C1' . 17601 1 250 . 1 1 59 59 A C2 C 13 110.9520 . . 1 . . . A 59 A C2 . 17601 1 251 . 1 1 59 59 A C8 C 13 117.0590 . . 1 . . . A 59 A C8 . 17601 1 252 . 1 1 60 60 A H1' H 1 5.3783 . . 1 . . . . 60 A H1' . 17601 1 253 . 1 1 60 60 A H2 H 1 7.9054 . . 1 . . . . 60 A H2 . 17601 1 254 . 1 1 60 60 A H2' H 1 4.3098 . . 1 . . . . 60 A H2' . 17601 1 255 . 1 1 60 60 A H8 H 1 7.6440 . . 1 . . . . 60 A H8 . 17601 1 256 . 1 1 60 60 A C1' C 13 109.8590 . . 1 . . . . 60 A C1' . 17601 1 257 . 1 1 60 60 A C2 C 13 112.4390 . . 1 . . . . 60 A C2 . 17601 1 258 . 1 1 60 60 A C8 C 13 116.3600 . . 1 . . . . 60 A C8 . 17601 1 259 . 1 1 61 61 C H1' H 1 5.1863 . . 1 . . . . 61 C H1' . 17601 1 260 . 1 1 61 61 C H2' H 1 4.0636 . . 1 . . . . 61 C H2' . 17601 1 261 . 1 1 61 61 C H5 H 1 5.1428 . . 1 . . . . 61 C H5 . 17601 1 262 . 1 1 61 61 C H6 H 1 7.1889 . . 1 . . . . 61 C H6 . 17601 1 263 . 1 1 61 61 C C1' C 13 110.8090 . . 1 . . . . 61 C C1' . 17601 1 264 . 1 1 61 61 C C5 C 13 114.7060 . . 1 . . . . 61 C C5 . 17601 1 265 . 1 1 62 62 C H1' H 1 5.5783 . . 1 . . . . 62 C H1' . 17601 1 266 . 1 1 62 62 C H2' H 1 4.1418 . . 1 . . . . 62 C H2' . 17601 1 267 . 1 1 62 62 C H5 H 1 5.6370 . . 1 . . . . 62 C H5 . 17601 1 268 . 1 1 62 62 C H6 H 1 7.6443 . . 1 . . . . 62 C H6 . 17601 1 269 . 1 1 62 62 C C1' C 13 118.9520 . . 1 . . . . 62 C C1' . 17601 1 270 . 1 1 62 62 C C5 C 13 116.0650 . . 1 . . . . 62 C C5 . 17601 1 271 . 1 1 63 63 C H1' H 1 5.7790 . . 1 . . . . 63 C H1' . 17601 1 272 . 1 1 63 63 C H5 H 1 5.8354 . . 1 . . . . 63 C H5 . 17601 1 273 . 1 1 63 63 C H6 H 1 7.7884 . . 1 . . . . 63 C H6 . 17601 1 274 . 1 1 63 63 C C5 C 13 116.3750 . . 1 . . . . 63 C C5 . 17601 1 stop_ save_