data_34484 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34484 _Entry.Title ; Constitutive decay element CDE2 from human 3'UTR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-27 _Entry.Accession_date 2020-01-27 _Entry.Last_release_date 2020-05-22 _Entry.Original_release_date 2020-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 H. Schwalbe H. . . . 34484 2 O. Binas O. . . . 34484 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 34484 'hairpin Roquin binding' . 34484 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34484 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 94 34484 '1H chemical shifts' 159 34484 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 . . 2020-05-25 . original BMRB . 34484 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XXA 'BMRB Entry Tracking System' 34484 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34484 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1093/nar/gkaa465 _Citation.Full_citation . _Citation.Title ; Structural basis for the recognition of transiently structured AU-rich elements by Roquin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 O. Binas O. . . . 34484 1 2 J. Tants J. N. . . 34484 1 3 S. Peter S. . . . 34484 1 4 R. Janowski R. . . . 34484 1 5 E. Davydova E. . . . 34484 1 6 J. Braun J. . . . 34484 1 7 D. Niessing D. . . . 34484 1 8 H. Schwalbe H. . . . 34484 1 9 J. Weigand J. E. . . 34484 1 10 A. Schlundt A. . . . 34484 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34484 _Assembly.ID 1 _Assembly.Name "RNA (5'-R(*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*C)-3')" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34484 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34484 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GGUGCCUAAUAUUUAGGCAC C ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6690.004 _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 . 34484 1 2 . G . 34484 1 3 . U . 34484 1 4 . G . 34484 1 5 . C . 34484 1 6 . C . 34484 1 7 . U . 34484 1 8 . A . 34484 1 9 . A . 34484 1 10 . U . 34484 1 11 . A . 34484 1 12 . U . 34484 1 13 . U . 34484 1 14 . U . 34484 1 15 . A . 34484 1 16 . G . 34484 1 17 . G . 34484 1 18 . C . 34484 1 19 . A . 34484 1 20 . C . 34484 1 21 . C . 34484 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 34484 1 . G 2 2 34484 1 . U 3 3 34484 1 . G 4 4 34484 1 . C 5 5 34484 1 . C 6 6 34484 1 . U 7 7 34484 1 . A 8 8 34484 1 . A 9 9 34484 1 . U 10 10 34484 1 . A 11 11 34484 1 . U 12 12 34484 1 . U 13 13 34484 1 . U 14 14 34484 1 . A 15 15 34484 1 . G 16 16 34484 1 . G 17 17 34484 1 . C 18 18 34484 1 . A 19 19 34484 1 . C 20 20 34484 1 . C 21 21 34484 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 34484 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 401526 organism . 'Thermosinus carboxydivorans Nor1' 'Thermosinus carboxydivorans Nor1' . . Bacteria . Thermosinus carboxydivorans . . . . . . . . . . . . . 34484 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 34484 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34484 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34484 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '900 uM CDE2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CDE2 'natural abundance' . . 1 $entity_1 . . 900 . . uM . . . . 34484 1 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 34484 1 3 'potassium phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 34484 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34484 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1300 uM [U-99% 13C; U-99% 15N] CDE2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CDE2 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1300 . . uM . . . . 34484 2 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 34484 2 3 'potassium phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 34484 2 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 34484 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 75 . mM 34484 1 pH 6.2 . pH 34484 1 pressure 1 . bar 34484 1 temperature 298 . K 34484 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34484 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 75 . mM 34484 2 pH 6.2 . pH 34484 2 pressure 1 . bar 34484 2 temperature 298 . K 34484 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34484 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34484 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34484 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34484 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34484 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34484 2 . 'peak picking' 34484 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34484 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34484 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34484 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34484 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 34484 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34484 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34484 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34484 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 900 . . . 34484 1 4 NMR_spectrometer_4 Bruker 'AVANCE III' . 950 . . . 34484 1 5 NMR_spectrometer_5 Bruker 'AVANCE III' . 700 . . . 34484 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 34484 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34484 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34484 1 3 '2D gamma HCN' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34484 1 4 '3D HCN' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34484 1 5 fwHCCH-TOCSY-CCH-E.COSY no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34484 1 6 '3D HCP' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34484 1 7 '2D qHCP' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34484 1 8 HCCH-TOCSY no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34484 1 9 '2D PFIDS' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34484 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34484 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; 13C 15N referencing was calculated using the au program calc_wishart.rw from Bruker Topspin 3.5 developed by Ruediger Weisemann (Bruker Biospin) after Wishart et al. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34484 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34484 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34484 1 2 '2D 1H-13C HSQC' . . . 34484 1 3 '2D gamma HCN' . . . 34484 1 4 '3D HCN' . . . 34484 1 5 fwHCCH-TOCSY-CCH-E.COSY . . . 34484 1 6 '3D HCP' . . . 34484 1 7 '2D qHCP' . . . 34484 1 8 HCCH-TOCSY . . . 34484 1 9 '2D PFIDS' . . . 34484 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.843 0.02 . . . . . . A 1 G H1' . 34484 1 2 . 1 . 1 1 1 G H2' H 1 4.961 0.02 . . . . . . A 1 G H2' . 34484 1 3 . 1 . 1 1 1 G H3' H 1 4.695 0.02 . . . . . . A 1 G H3' . 34484 1 4 . 1 . 1 1 1 G H4' H 1 4.572 0.02 . . . . . . A 1 G H4' . 34484 1 5 . 1 . 1 1 1 G H5' H 1 4.458 0.02 . . . . . . A 1 G H5' . 34484 1 6 . 1 . 1 1 1 G H5'' H 1 4.284 0.02 . . . . . . A 1 G H5'' . 34484 1 7 . 1 . 1 1 1 G H8 H 1 8.154 0.02 . . . . . . A 1 G H8 . 34484 1 8 . 1 . 1 1 1 G C1' C 13 91.893 0.02 . . . . . . A 1 G C1' . 34484 1 9 . 1 . 1 1 1 G C2' C 13 75.074 0.02 . . . . . . A 1 G C2' . 34484 1 10 . 1 . 1 1 1 G C3' C 13 74.591 0.02 . . . . . . A 1 G C3' . 34484 1 11 . 1 . 1 1 1 G C4' C 13 83.275 0.02 . . . . . . A 1 G C4' . 34484 1 12 . 1 . 1 1 1 G C5' C 13 67.161 0.02 . . . . . . A 1 G C5' . 34484 1 13 . 1 . 1 2 2 G H1' H 1 5.936 0.02 . . . . . . A 2 G H1' . 34484 1 14 . 1 . 1 2 2 G H2' H 1 4.526 0.02 . . . . . . A 2 G H2' . 34484 1 15 . 1 . 1 2 2 G H3' H 1 4.559 0.02 . . . . . . A 2 G H3' . 34484 1 16 . 1 . 1 2 2 G H4' H 1 4.493 0.02 . . . . . . A 2 G H4' . 34484 1 17 . 1 . 1 2 2 G H5' H 1 4.411 0.02 . . . . . . A 2 G H5' . 34484 1 18 . 1 . 1 2 2 G H5'' H 1 4.242 0.02 . . . . . . A 2 G H5'' . 34484 1 19 . 1 . 1 2 2 G H8 H 1 7.541 0.02 . . . . . . A 2 G H8 . 34484 1 20 . 1 . 1 2 2 G C1' C 13 93.094 0.02 . . . . . . A 2 G C1' . 34484 1 21 . 1 . 1 2 2 G C3' C 13 73.108 0.02 . . . . . . A 2 G C3' . 34484 1 22 . 1 . 1 2 2 G C5' C 13 66.829 0.02 . . . . . . A 2 G C5' . 34484 1 23 . 1 . 1 3 3 U H1' H 1 5.591 0.02 . . . . . . A 3 U H1' . 34484 1 24 . 1 . 1 3 3 U H2' H 1 4.631 0.02 . . . . . . A 3 U H2' . 34484 1 25 . 1 . 1 3 3 U H3' H 1 4.594 0.02 . . . . . . A 3 U H3' . 34484 1 26 . 1 . 1 3 3 U H4' H 1 4.475 0.02 . . . . . . A 3 U H4' . 34484 1 27 . 1 . 1 3 3 U H5 H 1 5.141 0.02 . . . . . . A 3 U H5 . 34484 1 28 . 1 . 1 3 3 U H5' H 1 4.605 0.02 . . . . . . A 3 U H5' . 34484 1 29 . 1 . 1 3 3 U H5'' H 1 4.140 0.02 . . . . . . A 3 U H5'' . 34484 1 30 . 1 . 1 3 3 U H6 H 1 7.784 0.02 . . . . . . A 3 U H6 . 34484 1 31 . 1 . 1 3 3 U C1' C 13 93.552 0.02 . . . . . . A 3 U C1' . 34484 1 32 . 1 . 1 3 3 U C2' C 13 75.378 0.02 . . . . . . A 3 U C2' . 34484 1 33 . 1 . 1 3 3 U C3' C 13 72.352 0.02 . . . . . . A 3 U C3' . 34484 1 34 . 1 . 1 3 3 U C4' C 13 82.065 0.02 . . . . . . A 3 U C4' . 34484 1 35 . 1 . 1 3 3 U C5' C 13 64.503 0.02 . . . . . . A 3 U C5' . 34484 1 36 . 1 . 1 4 4 G H1' H 1 5.825 0.02 . . . . . . A 4 G H1' . 34484 1 37 . 1 . 1 4 4 G H2' H 1 4.527 0.02 . . . . . . A 4 G H2' . 34484 1 38 . 1 . 1 4 4 G H3' H 1 4.590 0.02 . . . . . . A 4 G H3' . 34484 1 39 . 1 . 1 4 4 G H4' H 1 4.511 0.02 . . . . . . A 4 G H4' . 34484 1 40 . 1 . 1 4 4 G H5' H 1 4.530 0.02 . . . . . . A 4 G H5' . 34484 1 41 . 1 . 1 4 4 G H5'' H 1 4.160 0.02 . . . . . . A 4 G H5'' . 34484 1 42 . 1 . 1 4 4 G H8 H 1 7.739 0.02 . . . . . . A 4 G H8 . 34484 1 43 . 1 . 1 4 4 G C1' C 13 92.618 0.02 . . . . . . A 4 G C1' . 34484 1 44 . 1 . 1 4 4 G C2' C 13 75.367 0.02 . . . . . . A 4 G C2' . 34484 1 45 . 1 . 1 4 4 G C3' C 13 73.161 0.02 . . . . . . A 4 G C3' . 34484 1 46 . 1 . 1 4 4 G C4' C 13 82.025 0.02 . . . . . . A 4 G C4' . 34484 1 47 . 1 . 1 4 4 G C5' C 13 65.721 0.02 . . . . . . A 4 G C5' . 34484 1 48 . 1 . 1 5 5 C H1' H 1 5.459 0.02 . . . . . . A 5 C H1' . 34484 1 49 . 1 . 1 5 5 C H2' H 1 4.401 0.02 . . . . . . A 5 C H2' . 34484 1 50 . 1 . 1 5 5 C H4' H 1 4.523 0.02 . . . . . . A 5 C H4' . 34484 1 51 . 1 . 1 5 5 C H5 H 1 5.270 0.02 . . . . . . A 5 C H5 . 34484 1 52 . 1 . 1 5 5 C H5'' H 1 4.085 0.02 . . . . . . A 5 C H5'' . 34484 1 53 . 1 . 1 5 5 C H6 H 1 7.656 0.02 . . . . . . A 5 C H6 . 34484 1 54 . 1 . 1 5 5 C C1' C 13 93.895 0.02 . . . . . . A 5 C C1' . 34484 1 55 . 1 . 1 6 6 C H1' H 1 5.460 0.02 . . . . . . A 6 C H1' . 34484 1 56 . 1 . 1 6 6 C H2' H 1 4.352 0.02 . . . . . . A 6 C H2' . 34484 1 57 . 1 . 1 6 6 C H5 H 1 5.514 0.02 . . . . . . A 6 C H5 . 34484 1 58 . 1 . 1 6 6 C H5' H 1 4.436 0.02 . . . . . . A 6 C H5' . 34484 1 59 . 1 . 1 6 6 C H5'' H 1 4.065 0.02 . . . . . . A 6 C H5'' . 34484 1 60 . 1 . 1 6 6 C H6 H 1 7.735 0.02 . . . . . . A 6 C H6 . 34484 1 61 . 1 . 1 6 6 C C1' C 13 94.362 0.02 . . . . . . A 6 C C1' . 34484 1 62 . 1 . 1 6 6 C C2' C 13 75.351 0.02 . . . . . . A 6 C C2' . 34484 1 63 . 1 . 1 7 7 U H1' H 1 5.455 0.02 . . . . . . A 7 U H1' . 34484 1 64 . 1 . 1 7 7 U H2' H 1 4.402 0.02 . . . . . . A 7 U H2' . 34484 1 65 . 1 . 1 7 7 U H3' H 1 4.610 0.02 . . . . . . A 7 U H3' . 34484 1 66 . 1 . 1 7 7 U H4' H 1 4.462 0.02 . . . . . . A 7 U H4' . 34484 1 67 . 1 . 1 7 7 U H5 H 1 5.419 0.02 . . . . . . A 7 U H5 . 34484 1 68 . 1 . 1 7 7 U H5' H 1 4.560 0.02 . . . . . . A 7 U H5' . 34484 1 69 . 1 . 1 7 7 U H5'' H 1 4.094 0.02 . . . . . . A 7 U H5'' . 34484 1 70 . 1 . 1 7 7 U H6 H 1 7.848 0.02 . . . . . . A 7 U H6 . 34484 1 71 . 1 . 1 7 7 U C1' C 13 93.728 0.02 . . . . . . A 7 U C1' . 34484 1 72 . 1 . 1 7 7 U C2' C 13 75.449 0.02 . . . . . . A 7 U C2' . 34484 1 73 . 1 . 1 7 7 U C3' C 13 72.282 0.02 . . . . . . A 7 U C3' . 34484 1 74 . 1 . 1 8 8 A H1' H 1 5.865 0.02 . . . . . . A 8 A H1' . 34484 1 75 . 1 . 1 8 8 A H2 H 1 6.651 0.02 . . . . . . A 8 A H2 . 34484 1 76 . 1 . 1 8 8 A H2' H 1 4.420 0.02 . . . . . . A 8 A H2' . 34484 1 77 . 1 . 1 8 8 A H3' H 1 4.681 0.02 . . . . . . A 8 A H3' . 34484 1 78 . 1 . 1 8 8 A H4' H 1 4.467 0.02 . . . . . . A 8 A H4' . 34484 1 79 . 1 . 1 8 8 A H5' H 1 4.522 0.02 . . . . . . A 8 A H5' . 34484 1 80 . 1 . 1 8 8 A H5'' H 1 4.155 0.02 . . . . . . A 8 A H5'' . 34484 1 81 . 1 . 1 8 8 A H8 H 1 8.032 0.02 . . . . . . A 8 A H8 . 34484 1 82 . 1 . 1 8 8 A C1' C 13 92.710 0.02 . . . . . . A 8 A C1' . 34484 1 83 . 1 . 1 8 8 A C2' C 13 75.812 0.02 . . . . . . A 8 A C2' . 34484 1 84 . 1 . 1 8 8 A C3' C 13 73.087 0.02 . . . . . . A 8 A C3' . 34484 1 85 . 1 . 1 8 8 A C4' C 13 82.330 0.02 . . . . . . A 8 A C4' . 34484 1 86 . 1 . 1 8 8 A C5' C 13 65.330 0.02 . . . . . . A 8 A C5' . 34484 1 87 . 1 . 1 9 9 A H1' H 1 5.702 0.02 . . . . . . A 9 A H1' . 34484 1 88 . 1 . 1 9 9 A H2 H 1 7.728 0.02 . . . . . . A 9 A H2 . 34484 1 89 . 1 . 1 9 9 A H2' H 1 4.399 0.02 . . . . . . A 9 A H2' . 34484 1 90 . 1 . 1 9 9 A H3' H 1 4.563 0.02 . . . . . . A 9 A H3' . 34484 1 91 . 1 . 1 9 9 A H4' H 1 4.415 0.02 . . . . . . A 9 A H4' . 34484 1 92 . 1 . 1 9 9 A H5' H 1 4.443 0.02 . . . . . . A 9 A H5' . 34484 1 93 . 1 . 1 9 9 A H5'' H 1 4.081 0.02 . . . . . . A 9 A H5'' . 34484 1 94 . 1 . 1 9 9 A H8 H 1 7.683 0.02 . . . . . . A 9 A H8 . 34484 1 95 . 1 . 1 9 9 A C1' C 13 91.713 0.02 . . . . . . A 9 A C1' . 34484 1 96 . 1 . 1 9 9 A C2' C 13 76.290 0.02 . . . . . . A 9 A C2' . 34484 1 97 . 1 . 1 9 9 A C3' C 13 74.431 0.02 . . . . . . A 9 A C3' . 34484 1 98 . 1 . 1 9 9 A C4' C 13 83.189 0.02 . . . . . . A 9 A C4' . 34484 1 99 . 1 . 1 9 9 A C5' C 13 65.974 0.02 . . . . . . A 9 A C5' . 34484 1 100 . 1 . 1 10 10 U H1' H 1 5.528 0.02 . . . . . . A 10 U H1' . 34484 1 101 . 1 . 1 10 10 U H2' H 1 4.206 0.02 . . . . . . A 10 U H2' . 34484 1 102 . 1 . 1 10 10 U H3' H 1 4.400 0.02 . . . . . . A 10 U H3' . 34484 1 103 . 1 . 1 10 10 U H4' H 1 4.214 0.02 . . . . . . A 10 U H4' . 34484 1 104 . 1 . 1 10 10 U H5 H 1 5.528 0.02 . . . . . . A 10 U H5 . 34484 1 105 . 1 . 1 10 10 U H5' H 1 4.085 0.02 . . . . . . A 10 U H5' . 34484 1 106 . 1 . 1 10 10 U H5'' H 1 3.943 0.02 . . . . . . A 10 U H5'' . 34484 1 107 . 1 . 1 10 10 U H6 H 1 7.543 0.02 . . . . . . A 10 U H6 . 34484 1 108 . 1 . 1 10 10 U C1' C 13 90.902 0.02 . . . . . . A 10 U C1' . 34484 1 109 . 1 . 1 10 10 U C2' C 13 75.571 0.02 . . . . . . A 10 U C2' . 34484 1 110 . 1 . 1 10 10 U C3' C 13 76.450 0.02 . . . . . . A 10 U C3' . 34484 1 111 . 1 . 1 10 10 U C4' C 13 84.747 0.02 . . . . . . A 10 U C4' . 34484 1 112 . 1 . 1 10 10 U C5' C 13 66.980 0.02 . . . . . . A 10 U C5' . 34484 1 113 . 1 . 1 11 11 A H1' H 1 5.799 0.02 . . . . . . A 11 A H1' . 34484 1 114 . 1 . 1 11 11 A H2 H 1 8.003 0.02 . . . . . . A 11 A H2 . 34484 1 115 . 1 . 1 11 11 A H2' H 1 4.561 0.02 . . . . . . A 11 A H2' . 34484 1 116 . 1 . 1 11 11 A H3' H 1 4.638 0.02 . . . . . . A 11 A H3' . 34484 1 117 . 1 . 1 11 11 A H4' H 1 4.413 0.02 . . . . . . A 11 A H4' . 34484 1 118 . 1 . 1 11 11 A H5' H 1 4.114 0.02 . . . . . . A 11 A H5' . 34484 1 119 . 1 . 1 11 11 A H5'' H 1 4.000 0.02 . . . . . . A 11 A H5'' . 34484 1 120 . 1 . 1 11 11 A H8 H 1 8.011 0.02 . . . . . . A 11 A H8 . 34484 1 121 . 1 . 1 11 11 A C1' C 13 90.218 0.02 . . . . . . A 11 A C1' . 34484 1 122 . 1 . 1 11 11 A C2' C 13 77.184 0.02 . . . . . . A 11 A C2' . 34484 1 123 . 1 . 1 11 11 A C3' C 13 77.921 0.02 . . . . . . A 11 A C3' . 34484 1 124 . 1 . 1 11 11 A C4' C 13 86.000 0.02 . . . . . . A 11 A C4' . 34484 1 125 . 1 . 1 11 11 A C5' C 13 67.831 0.02 . . . . . . A 11 A C5' . 34484 1 126 . 1 . 1 12 12 U H1' H 1 5.920 0.02 . . . . . . A 12 U H1' . 34484 1 127 . 1 . 1 12 12 U H2' H 1 4.380 0.02 . . . . . . A 12 U H2' . 34484 1 128 . 1 . 1 12 12 U H3' H 1 4.684 0.02 . . . . . . A 12 U H3' . 34484 1 129 . 1 . 1 12 12 U H4' H 1 4.454 0.02 . . . . . . A 12 U H4' . 34484 1 130 . 1 . 1 12 12 U H5 H 1 5.772 0.02 . . . . . . A 12 U H5 . 34484 1 131 . 1 . 1 12 12 U H5' H 1 4.153 0.02 . . . . . . A 12 U H5' . 34484 1 132 . 1 . 1 12 12 U H5'' H 1 4.089 0.02 . . . . . . A 12 U H5'' . 34484 1 133 . 1 . 1 12 12 U H6 H 1 7.744 0.02 . . . . . . A 12 U H6 . 34484 1 134 . 1 . 1 12 12 U C1' C 13 90.467 0.02 . . . . . . A 12 U C1' . 34484 1 135 . 1 . 1 12 12 U C2' C 13 75.606 0.02 . . . . . . A 12 U C2' . 34484 1 136 . 1 . 1 12 12 U C3' C 13 77.003 0.02 . . . . . . A 12 U C3' . 34484 1 137 . 1 . 1 12 12 U C4' C 13 85.166 0.02 . . . . . . A 12 U C4' . 34484 1 138 . 1 . 1 12 12 U C5' C 13 67.992 0.02 . . . . . . A 12 U C5' . 34484 1 139 . 1 . 1 13 13 U H1' H 1 5.858 0.02 . . . . . . A 13 U H1' . 34484 1 140 . 1 . 1 13 13 U H2' H 1 4.557 0.02 . . . . . . A 13 U H2' . 34484 1 141 . 1 . 1 13 13 U H3' H 1 4.596 0.02 . . . . . . A 13 U H3' . 34484 1 142 . 1 . 1 13 13 U H4' H 1 4.516 0.02 . . . . . . A 13 U H4' . 34484 1 143 . 1 . 1 13 13 U H5 H 1 5.902 0.02 . . . . . . A 13 U H5 . 34484 1 144 . 1 . 1 13 13 U H5' H 1 4.247 0.02 . . . . . . A 13 U H5' . 34484 1 145 . 1 . 1 13 13 U H5'' H 1 4.201 0.02 . . . . . . A 13 U H5'' . 34484 1 146 . 1 . 1 13 13 U H6 H 1 7.903 0.02 . . . . . . A 13 U H6 . 34484 1 147 . 1 . 1 13 13 U C1' C 13 91.160 0.02 . . . . . . A 13 U C1' . 34484 1 148 . 1 . 1 13 13 U C2' C 13 74.889 0.02 . . . . . . A 13 U C2' . 34484 1 149 . 1 . 1 13 13 U C3' C 13 76.425 0.02 . . . . . . A 13 U C3' . 34484 1 150 . 1 . 1 13 13 U C4' C 13 84.607 0.02 . . . . . . A 13 U C4' . 34484 1 151 . 1 . 1 13 13 U C5' C 13 68.415 0.02 . . . . . . A 13 U C5' . 34484 1 152 . 1 . 1 14 14 U H1' H 1 5.698 0.02 . . . . . . A 14 U H1' . 34484 1 153 . 1 . 1 14 14 U H2' H 1 4.592 0.02 . . . . . . A 14 U H2' . 34484 1 154 . 1 . 1 14 14 U H3' H 1 4.553 0.02 . . . . . . A 14 U H3' . 34484 1 155 . 1 . 1 14 14 U H4' H 1 4.556 0.02 . . . . . . A 14 U H4' . 34484 1 156 . 1 . 1 14 14 U H5 H 1 5.802 0.02 . . . . . . A 14 U H5 . 34484 1 157 . 1 . 1 14 14 U H5' H 1 4.418 0.02 . . . . . . A 14 U H5' . 34484 1 158 . 1 . 1 14 14 U H5'' H 1 4.308 0.02 . . . . . . A 14 U H5'' . 34484 1 159 . 1 . 1 14 14 U H6 H 1 7.949 0.02 . . . . . . A 14 U H6 . 34484 1 160 . 1 . 1 14 14 U C1' C 13 93.559 0.02 . . . . . . A 14 U C1' . 34484 1 161 . 1 . 1 14 14 U C2' C 13 75.149 0.02 . . . . . . A 14 U C2' . 34484 1 162 . 1 . 1 14 14 U C3' C 13 74.054 0.02 . . . . . . A 14 U C3' . 34484 1 163 . 1 . 1 14 14 U C4' C 13 83.097 0.02 . . . . . . A 14 U C4' . 34484 1 164 . 1 . 1 14 14 U C5' C 13 67.182 0.02 . . . . . . A 14 U C5' . 34484 1 165 . 1 . 1 15 15 A H1' H 1 5.999 0.02 . . . . . . A 15 A H1' . 34484 1 166 . 1 . 1 15 15 A H2 H 1 6.746 0.02 . . . . . . A 15 A H2 . 34484 1 167 . 1 . 1 15 15 A H2' H 1 4.649 0.02 . . . . . . A 15 A H2' . 34484 1 168 . 1 . 1 15 15 A H3' H 1 4.732 0.02 . . . . . . A 15 A H3' . 34484 1 169 . 1 . 1 15 15 A H4' H 1 4.540 0.02 . . . . . . A 15 A H4' . 34484 1 170 . 1 . 1 15 15 A H5' H 1 4.562 0.02 . . . . . . A 15 A H5' . 34484 1 171 . 1 . 1 15 15 A H5'' H 1 4.246 0.02 . . . . . . A 15 A H5'' . 34484 1 172 . 1 . 1 15 15 A H8 H 1 8.208 0.02 . . . . . . A 15 A H8 . 34484 1 173 . 1 . 1 15 15 A C1' C 13 92.478 0.02 . . . . . . A 15 A C1' . 34484 1 174 . 1 . 1 15 15 A C2' C 13 75.731 0.02 . . . . . . A 15 A C2' . 34484 1 175 . 1 . 1 15 15 A C3' C 13 73.135 0.02 . . . . . . A 15 A C3' . 34484 1 176 . 1 . 1 15 15 A C4' C 13 82.138 0.02 . . . . . . A 15 A C4' . 34484 1 177 . 1 . 1 15 15 A C5' C 13 65.690 0.02 . . . . . . A 15 A C5' . 34484 1 178 . 1 . 1 16 16 G H1' H 1 5.534 0.02 . . . . . . A 16 G H1' . 34484 1 179 . 1 . 1 16 16 G H2' H 1 4.476 0.02 . . . . . . A 16 G H2' . 34484 1 180 . 1 . 1 16 16 G H3' H 1 4.422 0.02 . . . . . . A 16 G H3' . 34484 1 181 . 1 . 1 16 16 G H4' H 1 4.436 0.02 . . . . . . A 16 G H4' . 34484 1 182 . 1 . 1 16 16 G H5' H 1 4.447 0.02 . . . . . . A 16 G H5' . 34484 1 183 . 1 . 1 16 16 G H5'' H 1 4.081 0.02 . . . . . . A 16 G H5'' . 34484 1 184 . 1 . 1 16 16 G H8 H 1 7.156 0.02 . . . . . . A 16 G H8 . 34484 1 185 . 1 . 1 16 16 G C1' C 13 92.402 0.02 . . . . . . A 16 G C1' . 34484 1 186 . 1 . 1 16 16 G C2' C 13 75.468 0.02 . . . . . . A 16 G C2' . 34484 1 187 . 1 . 1 16 16 G C3' C 13 73.025 0.02 . . . . . . A 16 G C3' . 34484 1 188 . 1 . 1 16 16 G C4' C 13 81.940 0.02 . . . . . . A 16 G C4' . 34484 1 189 . 1 . 1 16 16 G C5' C 13 65.868 0.02 . . . . . . A 16 G C5' . 34484 1 190 . 1 . 1 17 17 G H1' H 1 5.662 0.02 . . . . . . A 17 G H1' . 34484 1 191 . 1 . 1 17 17 G H2' H 1 4.423 0.02 . . . . . . A 17 G H2' . 34484 1 192 . 1 . 1 17 17 G H3' H 1 4.450 0.02 . . . . . . A 17 G H3' . 34484 1 193 . 1 . 1 17 17 G H4' H 1 4.433 0.02 . . . . . . A 17 G H4' . 34484 1 194 . 1 . 1 17 17 G H5' H 1 4.463 0.02 . . . . . . A 17 G H5' . 34484 1 195 . 1 . 1 17 17 G H5'' H 1 4.033 0.02 . . . . . . A 17 G H5'' . 34484 1 196 . 1 . 1 17 17 G H8 H 1 7.154 0.02 . . . . . . A 17 G H8 . 34484 1 197 . 1 . 1 17 17 G C1' C 13 92.934 0.02 . . . . . . A 17 G C1' . 34484 1 198 . 1 . 1 17 17 G C2' C 13 75.319 0.02 . . . . . . A 17 G C2' . 34484 1 199 . 1 . 1 17 17 G C3' C 13 72.759 0.02 . . . . . . A 17 G C3' . 34484 1 200 . 1 . 1 17 17 G C4' C 13 81.964 0.02 . . . . . . A 17 G C4' . 34484 1 201 . 1 . 1 17 17 G C5' C 13 65.270 0.02 . . . . . . A 17 G C5' . 34484 1 202 . 1 . 1 18 18 C H1' H 1 5.484 0.02 . . . . . . A 18 C H1' . 34484 1 203 . 1 . 1 18 18 C H2' H 1 4.527 0.02 . . . . . . A 18 C H2' . 34484 1 204 . 1 . 1 18 18 C H3' H 1 4.515 0.02 . . . . . . A 18 C H3' . 34484 1 205 . 1 . 1 18 18 C H4' H 1 4.411 0.02 . . . . . . A 18 C H4' . 34484 1 206 . 1 . 1 18 18 C H5 H 1 5.212 0.02 . . . . . . A 18 C H5 . 34484 1 207 . 1 . 1 18 18 C H5' H 1 4.549 0.02 . . . . . . A 18 C H5' . 34484 1 208 . 1 . 1 18 18 C H5'' H 1 4.067 0.02 . . . . . . A 18 C H5'' . 34484 1 209 . 1 . 1 18 18 C H6 H 1 7.618 0.02 . . . . . . A 18 C H6 . 34484 1 210 . 1 . 1 18 18 C C1' C 13 93.749 0.02 . . . . . . A 18 C C1' . 34484 1 211 . 1 . 1 18 18 C C2' C 13 75.473 0.02 . . . . . . A 18 C C2' . 34484 1 212 . 1 . 1 18 18 C C3' C 13 72.273 0.02 . . . . . . A 18 C C3' . 34484 1 213 . 1 . 1 18 18 C C4' C 13 81.926 0.02 . . . . . . A 18 C C4' . 34484 1 214 . 1 . 1 18 18 C C5' C 13 64.753 0.02 . . . . . . A 18 C C5' . 34484 1 215 . 1 . 1 19 19 A H1' H 1 5.940 0.02 . . . . . . A 19 A H1' . 34484 1 216 . 1 . 1 19 19 A H2 H 1 7.429 0.02 . . . . . . A 19 A H2 . 34484 1 217 . 1 . 1 19 19 A H2' H 1 4.575 0.02 . . . . . . A 19 A H2' . 34484 1 218 . 1 . 1 19 19 A H3' H 1 4.630 0.02 . . . . . . A 19 A H3' . 34484 1 219 . 1 . 1 19 19 A H4' H 1 4.566 0.02 . . . . . . A 19 A H4' . 34484 1 220 . 1 . 1 19 19 A H5' H 1 4.528 0.02 . . . . . . A 19 A H5' . 34484 1 221 . 1 . 1 19 19 A H5'' H 1 4.133 0.02 . . . . . . A 19 A H5'' . 34484 1 222 . 1 . 1 19 19 A H8 H 1 8.038 0.02 . . . . . . A 19 A H8 . 34484 1 223 . 1 . 1 19 19 A C1' C 13 93.195 0.02 . . . . . . A 19 A C1' . 34484 1 224 . 1 . 1 19 19 A C2' C 13 75.559 0.02 . . . . . . A 19 A C2' . 34484 1 225 . 1 . 1 19 19 A C3' C 13 72.926 0.02 . . . . . . A 19 A C3' . 34484 1 226 . 1 . 1 19 19 A C4' C 13 82.521 0.02 . . . . . . A 19 A C4' . 34484 1 227 . 1 . 1 19 19 A C5' C 13 65.233 0.02 . . . . . . A 19 A C5' . 34484 1 228 . 1 . 1 20 20 C H1' H 1 5.406 0.02 . . . . . . A 20 C H1' . 34484 1 229 . 1 . 1 20 20 C H2' H 1 4.068 0.02 . . . . . . A 20 C H2' . 34484 1 230 . 1 . 1 20 20 C H3' H 1 4.356 0.02 . . . . . . A 20 C H3' . 34484 1 231 . 1 . 1 20 20 C H4' H 1 4.360 0.02 . . . . . . A 20 C H4' . 34484 1 232 . 1 . 1 20 20 C H5 H 1 5.218 0.02 . . . . . . A 20 C H5 . 34484 1 233 . 1 . 1 20 20 C H5' H 1 4.507 0.02 . . . . . . A 20 C H5' . 34484 1 234 . 1 . 1 20 20 C H5'' H 1 4.022 0.02 . . . . . . A 20 C H5'' . 34484 1 235 . 1 . 1 20 20 C H6 H 1 7.514 0.02 . . . . . . A 20 C H6 . 34484 1 236 . 1 . 1 20 20 C C1' C 13 94.224 0.02 . . . . . . A 20 C C1' . 34484 1 237 . 1 . 1 20 20 C C2' C 13 75.767 0.02 . . . . . . A 20 C C2' . 34484 1 238 . 1 . 1 20 20 C C3' C 13 72.302 0.02 . . . . . . A 20 C C3' . 34484 1 239 . 1 . 1 20 20 C C4' C 13 82.036 0.02 . . . . . . A 20 C C4' . 34484 1 240 . 1 . 1 20 20 C C5' C 13 64.587 0.02 . . . . . . A 20 C C5' . 34484 1 241 . 1 . 1 21 21 C H1' H 1 6.099 0.02 . . . . . . A 21 C H1' . 34484 1 242 . 1 . 1 21 21 C H2' H 1 4.626 0.02 . . . . . . A 21 C H2' . 34484 1 243 . 1 . 1 21 21 C H3' H 1 4.935 0.02 . . . . . . A 21 C H3' . 34484 1 244 . 1 . 1 21 21 C H4' H 1 4.399 0.02 . . . . . . A 21 C H4' . 34484 1 245 . 1 . 1 21 21 C H5 H 1 5.472 0.02 . . . . . . A 21 C H5 . 34484 1 246 . 1 . 1 21 21 C H5' H 1 4.503 0.02 . . . . . . A 21 C H5' . 34484 1 247 . 1 . 1 21 21 C H5'' H 1 4.075 0.02 . . . . . . A 21 C H5'' . 34484 1 248 . 1 . 1 21 21 C H6 H 1 7.457 0.02 . . . . . . A 21 C H6 . 34484 1 249 . 1 . 1 21 21 C C1' C 13 91.985 0.02 . . . . . . A 21 C C1' . 34484 1 250 . 1 . 1 21 21 C C2' C 13 85.173 0.02 . . . . . . A 21 C C2' . 34484 1 251 . 1 . 1 21 21 C C3' C 13 77.977 0.02 . . . . . . A 21 C C3' . 34484 1 252 . 1 . 1 21 21 C C4' C 13 85.572 0.02 . . . . . . A 21 C C4' . 34484 1 253 . 1 . 1 21 21 C C5' C 13 65.759 0.02 . . . . . . A 21 C C5' . 34484 1 stop_ save_