data_50095 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50095 _Entry.Title ; 1H, 15N chemical shift assignments of the imino groups of yeast tRNAPhe: influence of the post-transcriptional modifications ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-28 _Entry.Accession_date 2019-11-28 _Entry.Last_release_date 2019-12-02 _Entry.Original_release_date 2019-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Marjorie Catala . . . . 50095 2 Alexandre Gato . . . . 50095 3 Carine Tisne . . . . 50095 4 Pierre Barraud . . . . 50095 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50095 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 27 50095 '1H chemical shifts' 27 50095 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 . . 2020-09-19 . original BMRB . 50095 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50096 '1H, 15N chemical shift assignments of the imino groups of yeast tRNAPhe: influence of the post-transcriptional modifications' 50095 BMRB 50097 '1H, 15N chemical shift assignments of the imino groups of yeast tRNAPhe: influence of the post-transcriptional modifications' 50095 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50095 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32239363 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N chemical shift assignments of the imino groups of yeast tRNA Phe: influence of the post-transcriptional modifications ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 2 _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 169 _Citation.Page_last 174 _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 Marjorie Catala . . . . 50095 1 2 Alexandre Gato . . . . 50095 1 3 Carine Tisne . . . . 50095 1 4 Pierre Barraud . . . . 50095 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'tRNA; imino groups; RNA resonance assignment; post-transcriptional modifications' 50095 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50095 _Assembly.ID 1 _Assembly.Name tRNAPhe _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 tRNAPhe 1 $entity_1 . . yes native no no . . . 50095 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50095 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'unmodified yeast tRNAPhe' _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 ; GCGGAUUUAGCUCAGUUGGG AGAGCGCCAGACUGAAGAUC UGGAGGUCCUGUGUUCGAUC CACAGAAUUCGCACCA ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes tRNADB tdbR00000083 . . . . . . . . . . . . . . . . 50095 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 . 50095 1 2 . C . 50095 1 3 . G . 50095 1 4 . G . 50095 1 5 . A . 50095 1 6 . U . 50095 1 7 . U . 50095 1 8 . U . 50095 1 9 . A . 50095 1 10 . G . 50095 1 11 . C . 50095 1 12 . U . 50095 1 13 . C . 50095 1 14 . A . 50095 1 15 . G . 50095 1 16 . U . 50095 1 17 . U . 50095 1 18 . G . 50095 1 19 . G . 50095 1 20 . G . 50095 1 21 . A . 50095 1 22 . G . 50095 1 23 . A . 50095 1 24 . G . 50095 1 25 . C . 50095 1 26 . G . 50095 1 27 . C . 50095 1 28 . C . 50095 1 29 . A . 50095 1 30 . G . 50095 1 31 . A . 50095 1 32 . C . 50095 1 33 . U . 50095 1 34 . G . 50095 1 35 . A . 50095 1 36 . A . 50095 1 37 . G . 50095 1 38 . A . 50095 1 39 . U . 50095 1 40 . C . 50095 1 41 . U . 50095 1 42 . G . 50095 1 43 . G . 50095 1 44 . A . 50095 1 45 . G . 50095 1 46 . G . 50095 1 47 . U . 50095 1 48 . C . 50095 1 49 . C . 50095 1 50 . U . 50095 1 51 . G . 50095 1 52 . U . 50095 1 53 . G . 50095 1 54 . U . 50095 1 55 . U . 50095 1 56 . C . 50095 1 57 . G . 50095 1 58 . A . 50095 1 59 . U . 50095 1 60 . C . 50095 1 61 . C . 50095 1 62 . A . 50095 1 63 . C . 50095 1 64 . A . 50095 1 65 . G . 50095 1 66 . A . 50095 1 67 . A . 50095 1 68 . U . 50095 1 69 . U . 50095 1 70 . C . 50095 1 71 . G . 50095 1 72 . C . 50095 1 73 . A . 50095 1 74 . C . 50095 1 75 . C . 50095 1 76 . A . 50095 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 50095 1 . C 2 2 50095 1 . G 3 3 50095 1 . G 4 4 50095 1 . A 5 5 50095 1 . U 6 6 50095 1 . U 7 7 50095 1 . U 8 8 50095 1 . A 9 9 50095 1 . G 10 10 50095 1 . C 11 11 50095 1 . U 12 12 50095 1 . C 13 13 50095 1 . A 14 14 50095 1 . G 15 15 50095 1 . U 16 16 50095 1 . U 17 17 50095 1 . G 18 18 50095 1 . G 19 19 50095 1 . G 20 20 50095 1 . A 21 21 50095 1 . G 22 22 50095 1 . A 23 23 50095 1 . G 24 24 50095 1 . C 25 25 50095 1 . G 26 26 50095 1 . C 27 27 50095 1 . C 28 28 50095 1 . A 29 29 50095 1 . G 30 30 50095 1 . A 31 31 50095 1 . C 32 32 50095 1 . U 33 33 50095 1 . G 34 34 50095 1 . A 35 35 50095 1 . A 36 36 50095 1 . G 37 37 50095 1 . A 38 38 50095 1 . U 39 39 50095 1 . C 40 40 50095 1 . U 41 41 50095 1 . G 42 42 50095 1 . G 43 43 50095 1 . A 44 44 50095 1 . G 45 45 50095 1 . G 46 46 50095 1 . U 47 47 50095 1 . C 48 48 50095 1 . C 49 49 50095 1 . U 50 50 50095 1 . G 51 51 50095 1 . U 52 52 50095 1 . G 53 53 50095 1 . U 54 54 50095 1 . U 55 55 50095 1 . C 56 56 50095 1 . G 57 57 50095 1 . A 58 58 50095 1 . U 59 59 50095 1 . C 60 60 50095 1 . C 61 61 50095 1 . A 62 62 50095 1 . C 63 63 50095 1 . A 64 64 50095 1 . G 65 65 50095 1 . A 66 66 50095 1 . A 67 67 50095 1 . U 68 68 50095 1 . U 69 69 50095 1 . C 70 70 50095 1 . G 71 71 50095 1 . C 72 72 50095 1 . A 73 73 50095 1 . C 74 74 50095 1 . C 75 75 50095 1 . A 76 76 50095 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50095 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 50095 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50095 _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 . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . 'RNA transcription with T7 RNA polymerase' 50095 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50095 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1H unmodified yeast tRNAPhe' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 entity_1 'natural abundance' . . 1 $entity_1 . . 1.8-2.0 . . mM . . . . 50095 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50095 1 3 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 50095 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50095 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N unmodified yeast tRNAPhe' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 entity_1 '[U-15N]-Gua, [U-15N]-Ura' . . 1 $entity_1 . . 1.5-1.8 . . mM . . . . 50095 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50095 2 3 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 50095 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 50095 _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' 20 . mM 50095 1 pH 6.5 . pH 50095 1 pressure 1 . atm 50095 1 temperature 311 . K 50095 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50095 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50095 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50095 1 . processing 50095 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50095 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50095 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50095 2 . 'data analysis' 50095 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 50095 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 50095 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50095 _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-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50095 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50095 1 3 '2D 1H-15N BEST-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50095 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50095 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50095 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 50095 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'external DSS referencing' 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 external direct 1 . . . . . 50095 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50095 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 50095 _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 'imino groups of unmodified yeast tRNAPhe' _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-15N HSQC' . . . 50095 1 2 '2D 1H-1H NOESY' . . . 50095 1 3 '2D 1H-15N BEST-TROSY' . . . 50095 1 4 '3D 1H-15N NOESY' . . . 50095 1 5 '2D 1H-1H NOESY' . . . 50095 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all 1H' 1 -0.07 0.01 50095 1 'TROSY offset' 'all 15N' 15 0.6 0.1 50095 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 12.499 0.020 . 1 . . . . . 1 G H1 . 50095 1 2 . 1 . 1 1 1 G N1 N 15 148.463 0.200 . 1 . . . . . 1 G N1 . 50095 1 3 . 1 . 1 3 3 G H1 H 1 12.280 0.020 . 1 . . . . . 3 G H1 . 50095 1 4 . 1 . 1 3 3 G N1 N 15 147.792 0.200 . 1 . . . . . 3 G N1 . 50095 1 5 . 1 . 1 4 4 G H1 H 1 10.325 0.020 . 1 . . . . . 4 G H1 . 50095 1 6 . 1 . 1 4 4 G N1 N 15 143.561 0.200 . 1 . . . . . 4 G N1 . 50095 1 7 . 1 . 1 6 6 U H3 H 1 14.355 0.020 . 1 . . . . . 6 U H3 . 50095 1 8 . 1 . 1 6 6 U N3 N 15 163.172 0.200 . 1 . . . . . 6 U N3 . 50095 1 9 . 1 . 1 7 7 U H3 H 1 13.238 0.020 . 1 . . . . . 7 U H3 . 50095 1 10 . 1 . 1 7 7 U N3 N 15 161.381 0.200 . 1 . . . . . 7 U N3 . 50095 1 11 . 1 . 1 8 8 U H3 H 1 14.269 0.020 . 1 . . . . . 8 U H3 . 50095 1 12 . 1 . 1 8 8 U N3 N 15 164.457 0.200 . 1 . . . . . 8 U N3 . 50095 1 13 . 1 . 1 10 10 G H1 H 1 12.721 0.020 . 1 . . . . . 10 G H1 . 50095 1 14 . 1 . 1 10 10 G N1 N 15 149.502 0.200 . 1 . . . . . 10 G N1 . 50095 1 15 . 1 . 1 12 12 U H3 H 1 13.749 0.020 . 1 . . . . . 12 U H3 . 50095 1 16 . 1 . 1 12 12 U N3 N 15 160.955 0.200 . 1 . . . . . 12 U N3 . 50095 1 17 . 1 . 1 15 15 G H1 H 1 12.075 0.020 . 1 . . . . . 15 G H1 . 50095 1 18 . 1 . 1 15 15 G N1 N 15 147.928 0.200 . 1 . . . . . 15 G N1 . 50095 1 19 . 1 . 1 18 18 G H1 H 1 9.339 0.020 . 1 . . . . . 18 G H1 . 50095 1 20 . 1 . 1 18 18 G N1 N 15 147.301 0.200 . 1 . . . . . 18 G N1 . 50095 1 21 . 1 . 1 22 22 G H1 H 1 12.805 0.020 . 1 . . . . . 22 G H1 . 50095 1 22 . 1 . 1 22 22 G N1 N 15 148.245 0.200 . 1 . . . . . 22 G N1 . 50095 1 23 . 1 . 1 24 24 G H1 H 1 13.677 0.020 . 1 . . . . . 24 G H1 . 50095 1 24 . 1 . 1 24 24 G N1 N 15 148.789 0.200 . 1 . . . . . 24 G N1 . 50095 1 25 . 1 . 1 30 30 G H1 H 1 12.503 0.020 . 1 . . . . . 30 G H1 . 50095 1 26 . 1 . 1 30 30 G N1 N 15 147.356 0.200 . 1 . . . . . 30 G N1 . 50095 1 27 . 1 . 1 41 41 U H3 H 1 13.106 0.020 . 1 . . . . . 41 U H3 . 50095 1 28 . 1 . 1 41 41 U N3 N 15 162.020 0.200 . 1 . . . . . 41 U N3 . 50095 1 29 . 1 . 1 42 42 G H1 H 1 12.129 0.020 . 1 . . . . . 42 G H1 . 50095 1 30 . 1 . 1 42 42 G N1 N 15 147.158 0.200 . 1 . . . . . 42 G N1 . 50095 1 31 . 1 . 1 43 43 G H1 H 1 12.520 0.020 . 1 . . . . . 43 G H1 . 50095 1 32 . 1 . 1 43 43 G N1 N 15 148.040 0.200 . 1 . . . . . 43 G N1 . 50095 1 33 . 1 . 1 46 46 G H1 H 1 12.545 0.020 . 1 . . . . . 46 G H1 . 50095 1 34 . 1 . 1 46 46 G N1 N 15 148.764 0.200 . 1 . . . . . 46 G N1 . 50095 1 35 . 1 . 1 50 50 U H3 H 1 13.221 0.020 . 1 . . . . . 50 U H3 . 50095 1 36 . 1 . 1 50 50 U N3 N 15 162.670 0.200 . 1 . . . . . 50 U N3 . 50095 1 37 . 1 . 1 51 51 G H1 H 1 12.324 0.020 . 1 . . . . . 51 G H1 . 50095 1 38 . 1 . 1 51 51 G N1 N 15 147.668 0.200 . 1 . . . . . 51 G N1 . 50095 1 39 . 1 . 1 52 52 U H3 H 1 13.757 0.020 . 1 . . . . . 52 U H3 . 50095 1 40 . 1 . 1 52 52 U N3 N 15 163.088 0.200 . 1 . . . . . 52 U N3 . 50095 1 41 . 1 . 1 53 53 G H1 H 1 12.473 0.020 . 1 . . . . . 53 G H1 . 50095 1 42 . 1 . 1 53 53 G N1 N 15 147.957 0.200 . 1 . . . . . 53 G N1 . 50095 1 43 . 1 . 1 54 54 U H3 H 1 13.630 0.020 . 1 . . . . . 54 U H3 . 50095 1 44 . 1 . 1 54 54 U N3 N 15 161.218 0.200 . 1 . . . . . 54 U N3 . 50095 1 45 . 1 . 1 55 55 U H3 H 1 11.644 0.020 . 1 . . . . . 55 U H3 . 50095 1 46 . 1 . 1 55 55 U N3 N 15 161.076 0.200 . 1 . . . . . 55 U N3 . 50095 1 47 . 1 . 1 65 65 G H1 H 1 12.427 0.020 . 1 . . . . . 65 G H1 . 50095 1 48 . 1 . 1 65 65 G N1 N 15 147.836 0.200 . 1 . . . . . 65 G N1 . 50095 1 49 . 1 . 1 68 68 U H3 H 1 13.853 0.020 . 1 . . . . . 68 U H3 . 50095 1 50 . 1 . 1 68 68 U N3 N 15 161.800 0.200 . 1 . . . . . 68 U N3 . 50095 1 51 . 1 . 1 69 69 U H3 H 1 11.737 0.020 . 1 . . . . . 69 U H3 . 50095 1 52 . 1 . 1 69 69 U N3 N 15 159.204 0.200 . 1 . . . . . 69 U N3 . 50095 1 53 . 1 . 1 71 71 G H1 H 1 12.879 0.020 . 1 . . . . . 71 G H1 . 50095 1 54 . 1 . 1 71 71 G N1 N 15 148.339 0.200 . 1 . . . . . 71 G N1 . 50095 1 stop_ save_