data_51137 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51137 _Entry.Title ; Assignment of base 15N and 1H chemical shifts for <5_SL5C> ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-14 _Entry.Accession_date 2021-10-14 _Entry.Last_release_date 2021-10-14 _Entry.Original_release_date 2021-10-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 'Assignment of base 15N and 1H chemical shifts for <5_SL5C>' _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 Harald Schwalbe . . . . 51137 2 Klara Mertinkus . R. . . 51137 3 Christian Richter . . . . 51137 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Biomolecular Magnetic Resonance/ Schwalbe group' . 51137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 51137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 80 51137 '15N chemical shifts' 4 51137 '1H chemical shifts' 115 51137 '31P chemical shifts' 11 51137 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 . . 2022-05-26 2021-10-14 update BMRB 'update entry citation' 51137 1 . . 2022-02-18 2021-10-14 original author 'original release' 51137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50339 'Assignment of base 15N and 1H chemical shifts for <5_SL5B+C>' 51137 BMRB 51138 'Assignment of base 15N and 1H chemical shifts for <5_SL5B_GC>' 51137 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51137 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35178672 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N chemical shift assignment of the stem-loops 5b + c from the 5'-UTR of SARS-CoV-2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 1 _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 17 _Citation.Page_last 25 _Citation.Year 2022 _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 Klara Mertinkus . R. . . 51137 1 2 'J. Tassilo' Grun . . . . 51137 1 3 Nadide Altincekic . . . . 51137 1 4 Jasleen 'Kaur Bains' . . . . 51137 1 5 Betul Ceylan . . . . 51137 1 6 Jan-Peter Ferner . . . . 51137 1 7 Lucio Frydman . . . . 51137 1 8 Boris Furtig . . . . 51137 1 9 Martin Hengesbach . . . . 51137 1 10 Katharina Hohmann . F. . . 51137 1 11 Daniel Hymon . . . . 51137 1 12 Jihyun Kim . . . . 51137 1 13 Bozana Knezic . . . . 51137 1 14 Mihajlo Novakovic . . . . 51137 1 15 Andreas Oxenfarth . . . . 51137 1 16 Stephen Peter . A. . . 51137 1 17 Nusrat Qureshi . S. . . 51137 1 18 Christian Richter . . . . 51137 1 19 Tali Scherf . . . . 51137 1 20 Andreas Schlundt . . . . 51137 1 21 Robbin Schnieders . . . . 51137 1 22 Harald Schwalbe . . . . 51137 1 23 Elke Stirnal . . . . 51137 1 24 Alexey Sudakov . . . . 51137 1 25 Jennifer Vogele . . . . 51137 1 26 Anna Wacker . . . . 51137 1 27 Julia Weigand . E. . . 51137 1 28 Julia Wirmer-Bartoschek . . . . 51137 1 29 Maria 'Wirtz Martin' . A. . . 51137 1 30 Jens Wohnert . . . . 51137 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 5'-UTR 51137 1 COVID19-nmr 51137 1 SARS-CoV-2 51137 1 SL5c 51137 1 'solution NMR spectroscopy' 51137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51137 _Assembly.ID 1 _Assembly.Name SL5c _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 SL5C 1 $entity_1 . . yes native no no . . . 51137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51137 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GACCGAAAGGUA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 252-263 _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 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment SL5C _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 BMRB 50339 . SL5B+C . . . . . . . . . . . . . . 51137 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID "part of 5'-UTR of SARS-CoV-2 genome" 51137 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 1 252 G . 51137 1 2 253 A . 51137 1 3 254 C . 51137 1 4 255 C . 51137 1 5 256 G . 51137 1 6 257 A . 51137 1 7 258 A . 51137 1 8 259 A . 51137 1 9 260 G . 51137 1 10 261 G . 51137 1 11 262 U . 51137 1 12 263 A . 51137 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 51137 1 . A 2 2 51137 1 . C 3 3 51137 1 . C 4 4 51137 1 . G 5 5 51137 1 . A 6 6 51137 1 . A 7 7 51137 1 . A 8 8 51137 1 . G 9 9 51137 1 . G 10 10 51137 1 . U 11 11 51137 1 . A 12 12 51137 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 51137 _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 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 51137 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 51137 _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' . . . . . . . . . . . . . . . . 51137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51137 _Sample.ID 1 _Sample.Name 'SL5c H2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.2' _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 SL5c '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51137 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51137 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51137 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51137 _Sample.ID 2 _Sample.Name 'SL5c D2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.2' _Sample.Aggregate_sample_number 1 _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 SL5c '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51137 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51137 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51137 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 51137 _Sample_condition_list.ID 1 _Sample_condition_list.Name 283K _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 pH 6.2 . pH 51137 1 temperature 283 . K 51137 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 51137 _Sample_condition_list.ID 2 _Sample_condition_list.Name 298K _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 pH 6.2 . pH 51137 2 temperature 298 . K 51137 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51137 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51137 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51137 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51137 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 51137 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'FRA 800ww' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHz' save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51137 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'FRA 800HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHz' save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51137 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'FRA 700HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '700 MHz' save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 51137 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name 'FRA service600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE I' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 51137 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name 'FRA service400' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE I' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '400 MHz' 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 51137 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'mixing time 150 ms' 51137 1 2 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51137 1 3 '2D 1H-1H NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 'mixing time 150 ms' 51137 1 4 '2D 1H-13C HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51137 1 5 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51137 1 6 '2D 1H-1H NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 'mixing time 100 ms' 51137 1 7 '2D 1H-1H NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 'mixing time 50 ms' 51137 1 8 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 'mixing time 150 ms' 51137 1 9 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 'mixing time 250 ms' 51137 1 10 '2D 1H-15N HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51137 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 'mixing time 150 ms' 51137 1 12 '2D 1H-31P DINO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 51137 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51137 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 51137 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name assigned_chemical_shifts_298K _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 51137 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51137 1 P 31 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 51137 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 51137 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name assigned_chemical_shifts_283K _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 51137 2 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51137 2 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 51137 2 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 51137 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_298K _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 11 '2D 1H-1H NOESY' . . . 51137 1 12 '2D 1H-31P DINO' . . . 51137 1 13 '2D 1H-13C HSQC' . . . 51137 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51137 1 2 $software_2 . . 51137 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 5.855 0.002 . . . . . . . 252 G H1' . 51137 1 2 . 1 . 1 1 1 G H2' H 1 4.818 0.164 . . . . . . . 252 G H2' . 51137 1 3 . 1 . 1 1 1 G H3' H 1 4.736 0.000 . . . . . . . 252 G H3' . 51137 1 4 . 1 . 1 1 1 G H5' H 1 3.995 0.000 . . . . . . . 252 G H5' . 51137 1 5 . 1 . 1 1 1 G H5'' H 1 3.944 0.022 . . . . . . . 252 G H5'' . 51137 1 6 . 1 . 1 1 1 G H8 H 1 8.004 0.003 . . . . . . . 252 G H8 . 51137 1 7 . 1 . 1 1 1 G C1' C 13 91.750 0.000 . . . . . . . 252 G C1' . 51137 1 8 . 1 . 1 1 1 G C2' C 13 75.302 0.000 . . . . . . . 252 G C2' . 51137 1 9 . 1 . 1 1 1 G C3' C 13 75.356 0.000 . . . . . . . 252 G C3' . 51137 1 10 . 1 . 1 1 1 G C5' C 13 63.493 0.001 . . . . . . . 252 G C5' . 51137 1 11 . 1 . 1 2 2 A H1' H 1 6.013 0.003 . . . . . . . 253 A H1' . 51137 1 12 . 1 . 1 2 2 A H2' H 1 4.738 0.002 . . . . . . . 253 A H2' . 51137 1 13 . 1 . 1 2 2 A H4' H 1 4.595 0.001 . . . . . . . 253 A H4' . 51137 1 14 . 1 . 1 2 2 A H8 H 1 8.283 0.006 . . . . . . . 253 A H8 . 51137 1 15 . 1 . 1 2 2 A C1' C 13 92.411 0.000 . . . . . . . 253 A C1' . 51137 1 16 . 1 . 1 2 2 A C2' C 13 75.979 0.000 . . . . . . . 253 A C2' . 51137 1 17 . 1 . 1 2 2 A C4' C 13 83.118 0.000 . . . . . . . 253 A C4' . 51137 1 18 . 1 . 1 2 2 A P P 31 -0.636 0.020 . . . . . . . 253 A P . 51137 1 19 . 1 . 1 3 3 C H1' H 1 5.491 0.004 . . . . . . . 254 C H1' . 51137 1 20 . 1 . 1 3 3 C H2' H 1 4.241 0.001 . . . . . . . 254 C H2' . 51137 1 21 . 1 . 1 3 3 C H5 H 1 5.293 0.002 . . . . . . . 254 C H5 . 51137 1 22 . 1 . 1 3 3 C H6 H 1 7.590 0.006 . . . . . . . 254 C H6 . 51137 1 23 . 1 . 1 3 3 C C1' C 13 93.908 0.000 . . . . . . . 254 C C1' . 51137 1 24 . 1 . 1 3 3 C C2' C 13 75.689 0.000 . . . . . . . 254 C C2' . 51137 1 25 . 1 . 1 3 3 C C5 C 13 97.230 0.000 . . . . . . . 254 C C5 . 51137 1 26 . 1 . 1 3 3 C P P 31 -0.967 0.017 . . . . . . . 254 C P . 51137 1 27 . 1 . 1 4 4 C H1' H 1 5.553 0.003 . . . . . . . 255 C H1' . 51137 1 28 . 1 . 1 4 4 C H2' H 1 4.493 0.001 . . . . . . . 255 C H2' . 51137 1 29 . 1 . 1 4 4 C H3' H 1 4.406 0.001 . . . . . . . 255 C H3' . 51137 1 30 . 1 . 1 4 4 C H5 H 1 5.375 0.002 . . . . . . . 255 C H5 . 51137 1 31 . 1 . 1 4 4 C H5' H 1 4.515 0.016 . . . . . . . 255 C H5' . 51137 1 32 . 1 . 1 4 4 C H5'' H 1 4.075 0.008 . . . . . . . 255 C H5'' . 51137 1 33 . 1 . 1 4 4 C H6 H 1 7.576 0.003 . . . . . . . 255 C H6 . 51137 1 34 . 1 . 1 4 4 C C1' C 13 93.852 0.000 . . . . . . . 255 C C1' . 51137 1 35 . 1 . 1 4 4 C C2' C 13 75.772 0.000 . . . . . . . 255 C C2' . 51137 1 36 . 1 . 1 4 4 C C5 C 13 98.279 0.000 . . . . . . . 255 C C5 . 51137 1 37 . 1 . 1 4 4 C P P 31 -0.942 0.017 . . . . . . . 255 C P . 51137 1 38 . 1 . 1 5 5 G H1' H 1 5.673 0.006 . . . . . . . 256 G H1' . 51137 1 39 . 1 . 1 5 5 G H2' H 1 4.463 0.002 . . . . . . . 256 G H2' . 51137 1 40 . 1 . 1 5 5 G H8 H 1 7.577 0.006 . . . . . . . 256 G H8 . 51137 1 41 . 1 . 1 5 5 G C1' C 13 93.003 0.000 . . . . . . . 256 G C1' . 51137 1 42 . 1 . 1 5 5 G C2' C 13 76.102 0.000 . . . . . . . 256 G C2' . 51137 1 43 . 1 . 1 5 5 G C5' C 13 65.011 0.000 . . . . . . . 256 G C5' . 51137 1 44 . 1 . 1 5 5 G P P 31 -0.583 0.001 . . . . . . . 256 G P . 51137 1 45 . 1 . 1 6 6 A H1' H 1 5.720 0.002 . . . . . . . 257 A H1' . 51137 1 46 . 1 . 1 6 6 A H2' H 1 4.246 0.003 . . . . . . . 257 A H2' . 51137 1 47 . 1 . 1 6 6 A H8 H 1 8.400 0.003 . . . . . . . 257 A H8 . 51137 1 48 . 1 . 1 6 6 A C1' C 13 91.718 0.000 . . . . . . . 257 A C1' . 51137 1 49 . 1 . 1 6 6 A C2' C 13 77.978 0.000 . . . . . . . 257 A C2' . 51137 1 50 . 1 . 1 6 6 A P P 31 0.974 0.000 . . . . . . . 257 A P . 51137 1 51 . 1 . 1 7 7 A H1' H 1 5.431 0.003 . . . . . . . 258 A H1' . 51137 1 52 . 1 . 1 7 7 A H2' H 1 4.326 0.001 . . . . . . . 258 A H2' . 51137 1 53 . 1 . 1 7 7 A H4' H 1 4.767 0.000 . . . . . . . 258 A H4' . 51137 1 54 . 1 . 1 7 7 A H5' H 1 3.992 0.009 . . . . . . . 258 A H5' . 51137 1 55 . 1 . 1 7 7 A H5'' H 1 3.909 0.003 . . . . . . . 258 A H5'' . 51137 1 56 . 1 . 1 7 7 A H8 H 1 7.945 0.004 . . . . . . . 258 A H8 . 51137 1 57 . 1 . 1 7 7 A C1' C 13 92.261 0.000 . . . . . . . 258 A C1' . 51137 1 58 . 1 . 1 7 7 A C2' C 13 76.456 0.000 . . . . . . . 258 A C2' . 51137 1 59 . 1 . 1 7 7 A C5' C 13 65.399 0.000 . . . . . . . 258 A C5' . 51137 1 60 . 1 . 1 7 7 A P P 31 -0.260 0.006 . . . . . . . 258 A P . 51137 1 61 . 1 . 1 8 8 A H1' H 1 6.030 0.001 . . . . . . . 259 A H1' . 51137 1 62 . 1 . 1 8 8 A H2 H 1 8.081 0.001 . . . . . . . 259 A H2 . 51137 1 63 . 1 . 1 8 8 A H2' H 1 4.612 0.001 . . . . . . . 259 A H2' . 51137 1 64 . 1 . 1 8 8 A H5' H 1 4.507 0.000 . . . . . . . 259 A H5' . 51137 1 65 . 1 . 1 8 8 A H8 H 1 8.199 0.004 . . . . . . . 259 A H8 . 51137 1 66 . 1 . 1 8 8 A C1' C 13 92.014 0.000 . . . . . . . 259 A C1' . 51137 1 67 . 1 . 1 8 8 A C2' C 13 76.809 0.000 . . . . . . . 259 A C2' . 51137 1 68 . 1 . 1 8 8 A C5' C 13 66.033 0.000 . . . . . . . 259 A C5' . 51137 1 69 . 1 . 1 8 8 A P P 31 -1.741 0.039 . . . . . . . 259 A P . 51137 1 70 . 1 . 1 9 9 G H1' H 1 3.738 0.016 . . . . . . . 260 G H1' . 51137 1 71 . 1 . 1 9 9 G H2' H 1 4.432 0.002 . . . . . . . 260 G H2' . 51137 1 72 . 1 . 1 9 9 G H3' H 1 4.171 0.001 . . . . . . . 260 G H3' . 51137 1 73 . 1 . 1 9 9 G H4' H 1 4.263 0.000 . . . . . . . 260 G H4' . 51137 1 74 . 1 . 1 9 9 G H5' H 1 4.352 0.003 . . . . . . . 260 G H5' . 51137 1 75 . 1 . 1 9 9 G H5'' H 1 4.228 0.004 . . . . . . . 260 G H5'' . 51137 1 76 . 1 . 1 9 9 G H8 H 1 7.840 0.004 . . . . . . . 260 G H8 . 51137 1 77 . 1 . 1 9 9 G C1' C 13 92.721 0.000 . . . . . . . 260 G C1' . 51137 1 78 . 1 . 1 9 9 G C2' C 13 75.281 0.000 . . . . . . . 260 G C2' . 51137 1 79 . 1 . 1 9 9 G C3' C 13 74.358 0.000 . . . . . . . 260 G C3' . 51137 1 80 . 1 . 1 9 9 G C5' C 13 69.569 0.006 . . . . . . . 260 G C5' . 51137 1 81 . 1 . 1 9 9 G P P 31 0.237 0.008 . . . . . . . 260 G P . 51137 1 82 . 1 . 1 10 10 G H1' H 1 5.777 0.004 . . . . . . . 261 G H1' . 51137 1 83 . 1 . 1 10 10 G H2' H 1 4.431 0.001 . . . . . . . 261 G H2' . 51137 1 84 . 1 . 1 10 10 G H5' H 1 4.407 0.001 . . . . . . . 261 G H5' . 51137 1 85 . 1 . 1 10 10 G H5'' H 1 3.995 0.003 . . . . . . . 261 G H5'' . 51137 1 86 . 1 . 1 10 10 G H8 H 1 7.164 0.003 . . . . . . . 261 G H8 . 51137 1 87 . 1 . 1 10 10 G C1' C 13 93.120 0.000 . . . . . . . 261 G C1' . 51137 1 88 . 1 . 1 10 10 G C2' C 13 74.779 0.000 . . . . . . . 261 G C2' . 51137 1 89 . 1 . 1 10 10 G P P 31 -1.005 0.004 . . . . . . . 261 G P . 51137 1 90 . 1 . 1 11 11 U H1' H 1 5.625 0.002 . . . . . . . 262 U H1' . 51137 1 91 . 1 . 1 11 11 U H2' H 1 4.316 0.001 . . . . . . . 262 U H2' . 51137 1 92 . 1 . 1 11 11 U H5 H 1 5.071 0.002 . . . . . . . 262 U H5 . 51137 1 93 . 1 . 1 11 11 U H6 H 1 7.573 0.005 . . . . . . . 262 U H6 . 51137 1 94 . 1 . 1 11 11 U C1' C 13 93.392 0.000 . . . . . . . 262 U C1' . 51137 1 95 . 1 . 1 11 11 U C2' C 13 75.765 0.000 . . . . . . . 262 U C2' . 51137 1 96 . 1 . 1 11 11 U C5 C 13 102.862 0.000 . . . . . . . 262 U C5 . 51137 1 97 . 1 . 1 11 11 U P P 31 -1.344 0.152 . . . . . . . 262 U P . 51137 1 98 . 1 . 1 12 12 A H1' H 1 6.021 0.002 . . . . . . . 263 A H1' . 51137 1 99 . 1 . 1 12 12 A H2' H 1 4.316 0.001 . . . . . . . 263 A H2' . 51137 1 100 . 1 . 1 12 12 A H5' H 1 4.371 0.007 . . . . . . . 263 A H5' . 51137 1 101 . 1 . 1 12 12 A H5'' H 1 4.104 0.007 . . . . . . . 263 A H5'' . 51137 1 102 . 1 . 1 12 12 A H8 H 1 8.250 0.004 . . . . . . . 263 A H8 . 51137 1 103 . 1 . 1 12 12 A C1' C 13 90.619 0.000 . . . . . . . 263 A C1' . 51137 1 104 . 1 . 1 12 12 A C5' C 13 66.421 0.009 . . . . . . . 263 A C5' . 51137 1 105 . 1 . 1 12 12 A P P 31 -0.802 0.017 . . . . . . . 263 A P . 51137 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51137 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chemical_shifts_283K _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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' . . . 51137 2 2 '2D 1H-1H TOCSY' . . . 51137 2 3 '2D 1H-1H NOESY' . . . 51137 2 4 '2D 1H-13C HSQC' . . . 51137 2 5 '2D 1H-1H TOCSY' . . . 51137 2 6 '2D 1H-1H NOESY' . . . 51137 2 7 '2D 1H-1H NOESY' . . . 51137 2 9 '2D 1H-1H NOESY' . . . 51137 2 10 '2D 1H-15N HMQC' . . . 51137 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51137 2 2 $software_2 . . 51137 2 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 5.797 0.023 . . . . . . . 252 G H1' . 51137 2 2 . 1 . 1 1 1 G H2' H 1 4.634 0.101 . . . . . . . 252 G H2' . 51137 2 3 . 1 . 1 1 1 G H3' H 1 4.681 0.012 . . . . . . . 252 G H3' . 51137 2 4 . 1 . 1 1 1 G H8 H 1 8.007 0.005 . . . . . . . 252 G H8 . 51137 2 5 . 1 . 1 1 1 G C1' C 13 92.255 0.000 . . . . . . . 252 G C1' . 51137 2 6 . 1 . 1 1 1 G C2' C 13 85.747 0.000 . . . . . . . 252 G C2' . 51137 2 7 . 1 . 1 1 1 G C3' C 13 75.336 0.000 . . . . . . . 252 G C3' . 51137 2 8 . 1 . 1 1 1 G C8 C 13 139.652 0.000 . . . . . . . 252 G C8 . 51137 2 9 . 1 . 1 2 2 A H1' H 1 6.008 0.004 . . . . . . . 253 A H1' . 51137 2 10 . 1 . 1 2 2 A H2 H 1 7.600 0.010 . . . . . . . 253 A H2 . 51137 2 11 . 1 . 1 2 2 A H2' H 1 4.758 0.004 . . . . . . . 253 A H2' . 51137 2 12 . 1 . 1 2 2 A H8 H 1 8.163 0.025 . . . . . . . 253 A H8 . 51137 2 13 . 1 . 1 2 2 A C1' C 13 92.699 0.000 . . . . . . . 253 A C1' . 51137 2 14 . 1 . 1 2 2 A C2 C 13 153.872 0.000 . . . . . . . 253 A C2 . 51137 2 15 . 1 . 1 2 2 A C2' C 13 75.341 0.000 . . . . . . . 253 A C2' . 51137 2 16 . 1 . 1 2 2 A C8 C 13 140.269 0.000 . . . . . . . 253 A C8 . 51137 2 17 . 1 . 1 3 3 C H1' H 1 5.464 0.007 . . . . . . . 254 C H1' . 51137 2 18 . 1 . 1 3 3 C H2' H 1 4.181 0.005 . . . . . . . 254 C H2' . 51137 2 19 . 1 . 1 3 3 C H5 H 1 5.280 0.004 . . . . . . . 254 C H5 . 51137 2 20 . 1 . 1 3 3 C H6 H 1 7.582 0.006 . . . . . . . 254 C H6 . 51137 2 21 . 1 . 1 3 3 C H41 H 1 8.407 0.005 . . . . . . . 254 C H41 . 51137 2 22 . 1 . 1 3 3 C H42 H 1 6.980 0.002 . . . . . . . 254 C H42 . 51137 2 23 . 1 . 1 3 3 C C1' C 13 93.790 0.000 . . . . . . . 254 C C1' . 51137 2 24 . 1 . 1 3 3 C C2' C 13 75.741 0.000 . . . . . . . 254 C C2' . 51137 2 25 . 1 . 1 3 3 C C5 C 13 97.107 0.000 . . . . . . . 254 C C5 . 51137 2 26 . 1 . 1 3 3 C C6 C 13 140.999 0.000 . . . . . . . 254 C C6 . 51137 2 27 . 1 . 1 4 4 C H1' H 1 5.557 0.002 . . . . . . . 255 C H1' . 51137 2 28 . 1 . 1 4 4 C H2' H 1 4.482 0.012 . . . . . . . 255 C H2' . 51137 2 29 . 1 . 1 4 4 C H5 H 1 5.374 0.006 . . . . . . . 255 C H5 . 51137 2 30 . 1 . 1 4 4 C H6 H 1 7.576 0.007 . . . . . . . 255 C H6 . 51137 2 31 . 1 . 1 4 4 C H41 H 1 8.306 0.005 . . . . . . . 255 C H41 . 51137 2 32 . 1 . 1 4 4 C H42 H 1 6.625 0.002 . . . . . . . 255 C H42 . 51137 2 33 . 1 . 1 4 4 C C1' C 13 93.620 0.000 . . . . . . . 255 C C1' . 51137 2 34 . 1 . 1 4 4 C C2' C 13 75.829 0.000 . . . . . . . 255 C C2' . 51137 2 35 . 1 . 1 4 4 C C5 C 13 98.348 0.000 . . . . . . . 255 C C5 . 51137 2 36 . 1 . 1 4 4 C C6 C 13 140.051 0.000 . . . . . . . 255 C C6 . 51137 2 37 . 1 . 1 5 5 G H1 H 1 10.563 0.003 . . . . . . . 256 G H1 . 51137 2 38 . 1 . 1 5 5 G H1' H 1 5.694 0.003 . . . . . . . 256 G H1' . 51137 2 39 . 1 . 1 5 5 G H2' H 1 4.409 0.012 . . . . . . . 256 G H2' . 51137 2 40 . 1 . 1 5 5 G H8 H 1 7.469 0.017 . . . . . . . 256 G H8 . 51137 2 41 . 1 . 1 5 5 G C1' C 13 93.574 0.000 . . . . . . . 256 G C1' . 51137 2 42 . 1 . 1 5 5 G C2' C 13 76.010 0.000 . . . . . . . 256 G C2' . 51137 2 43 . 1 . 1 5 5 G C8 C 13 135.842 0.000 . . . . . . . 256 G C8 . 51137 2 44 . 1 . 1 5 5 G N1 N 15 146.221 0.000 . . . . . . . 256 G N1 . 51137 2 45 . 1 . 1 6 6 A H1' H 1 5.681 0.009 . . . . . . . 257 A H1' . 51137 2 46 . 1 . 1 6 6 A H2 H 1 7.732 0.000 . . . . . . . 257 A H2 . 51137 2 47 . 1 . 1 6 6 A H2' H 1 4.792 0.110 . . . . . . . 257 A H2' . 51137 2 48 . 1 . 1 6 6 A H8 H 1 8.407 0.005 . . . . . . . 257 A H8 . 51137 2 49 . 1 . 1 6 6 A C1' C 13 92.705 0.000 . . . . . . . 257 A C1' . 51137 2 50 . 1 . 1 6 6 A C2 C 13 154.187 0.000 . . . . . . . 257 A C2 . 51137 2 51 . 1 . 1 6 6 A C2' C 13 76.740 1.355 . . . . . . . 257 A C2' . 51137 2 52 . 1 . 1 6 6 A C8 C 13 142.332 0.000 . . . . . . . 257 A C8 . 51137 2 53 . 1 . 1 7 7 A H1' H 1 5.384 0.006 . . . . . . . 258 A H1' . 51137 2 54 . 1 . 1 7 7 A H2 H 1 7.746 0.016 . . . . . . . 258 A H2 . 51137 2 55 . 1 . 1 7 7 A H2' H 1 4.300 0.003 . . . . . . . 258 A H2' . 51137 2 56 . 1 . 1 7 7 A H8 H 1 7.935 0.004 . . . . . . . 258 A H8 . 51137 2 57 . 1 . 1 7 7 A C1' C 13 92.774 0.000 . . . . . . . 258 A C1' . 51137 2 58 . 1 . 1 7 7 A C2 C 13 154.187 0.000 . . . . . . . 258 A C2 . 51137 2 59 . 1 . 1 7 7 A C2' C 13 76.145 0.000 . . . . . . . 258 A C2' . 51137 2 60 . 1 . 1 7 7 A C8 C 13 140.241 0.000 . . . . . . . 258 A C8 . 51137 2 61 . 1 . 1 8 8 A H1' H 1 6.000 0.006 . . . . . . . 259 A H1' . 51137 2 62 . 1 . 1 8 8 A H2 H 1 8.110 0.003 . . . . . . . 259 A H2 . 51137 2 63 . 1 . 1 8 8 A H2' H 1 4.564 0.009 . . . . . . . 259 A H2' . 51137 2 64 . 1 . 1 8 8 A H8 H 1 8.199 0.004 . . . . . . . 259 A H8 . 51137 2 65 . 1 . 1 8 8 A C1' C 13 92.037 0.000 . . . . . . . 259 A C1' . 51137 2 66 . 1 . 1 8 8 A C2 C 13 155.495 0.000 . . . . . . . 259 A C2 . 51137 2 67 . 1 . 1 8 8 A C2' C 13 76.616 0.000 . . . . . . . 259 A C2' . 51137 2 68 . 1 . 1 8 8 A C8 C 13 140.534 0.000 . . . . . . . 259 A C8 . 51137 2 69 . 1 . 1 9 9 G H1 H 1 12.487 0.021 . . . . . . . 260 G H1 . 51137 2 70 . 1 . 1 9 9 G H1' H 1 3.507 0.023 . . . . . . . 260 G H1' . 51137 2 71 . 1 . 1 9 9 G H2' H 1 4.418 0.002 . . . . . . . 260 G H2' . 51137 2 72 . 1 . 1 9 9 G H3' H 1 4.126 0.004 . . . . . . . 260 G H3' . 51137 2 73 . 1 . 1 9 9 G H5' H 1 4.333 0.002 . . . . . . . 260 G H5' . 51137 2 74 . 1 . 1 9 9 G H5'' H 1 4.192 0.005 . . . . . . . 260 G H5'' . 51137 2 75 . 1 . 1 9 9 G H8 H 1 7.849 0.006 . . . . . . . 260 G H8 . 51137 2 76 . 1 . 1 9 9 G C1' C 13 92.806 0.000 . . . . . . . 260 G C1' . 51137 2 77 . 1 . 1 9 9 G C2' C 13 75.172 0.000 . . . . . . . 260 G C2' . 51137 2 78 . 1 . 1 9 9 G C3' C 13 74.282 0.000 . . . . . . . 260 G C3' . 51137 2 79 . 1 . 1 9 9 G C5' C 13 69.707 0.006 . . . . . . . 260 G C5' . 51137 2 80 . 1 . 1 9 9 G C8 C 13 137.102 0.000 . . . . . . . 260 G C8 . 51137 2 81 . 1 . 1 9 9 G N1 N 15 147.280 0.000 . . . . . . . 260 G N1 . 51137 2 82 . 1 . 1 10 10 G H1 H 1 13.252 0.003 . . . . . . . 261 G H1 . 51137 2 83 . 1 . 1 10 10 G H1' H 1 5.780 0.002 . . . . . . . 261 G H1' . 51137 2 84 . 1 . 1 10 10 G H2' H 1 4.420 0.004 . . . . . . . 261 G H2' . 51137 2 85 . 1 . 1 10 10 G H8 H 1 7.126 0.006 . . . . . . . 261 G H8 . 51137 2 86 . 1 . 1 10 10 G C1' C 13 93.087 0.000 . . . . . . . 261 G C1' . 51137 2 87 . 1 . 1 10 10 G C2' C 13 74.605 0.000 . . . . . . . 261 G C2' . 51137 2 88 . 1 . 1 10 10 G C8 C 13 136.110 0.000 . . . . . . . 261 G C8 . 51137 2 89 . 1 . 1 10 10 G N1 N 15 148.332 0.000 . . . . . . . 261 G N1 . 51137 2 90 . 1 . 1 11 11 U H1' H 1 5.576 0.008 . . . . . . . 262 U H1' . 51137 2 91 . 1 . 1 11 11 U H2' H 1 4.297 0.013 . . . . . . . 262 U H2' . 51137 2 92 . 1 . 1 11 11 U H3 H 1 13.597 0.008 . . . . . . . 262 U H3 . 51137 2 93 . 1 . 1 11 11 U H5 H 1 5.023 0.012 . . . . . . . 262 U H5 . 51137 2 94 . 1 . 1 11 11 U H6 H 1 7.552 0.007 . . . . . . . 262 U H6 . 51137 2 95 . 1 . 1 11 11 U C1' C 13 93.598 0.000 . . . . . . . 262 U C1' . 51137 2 96 . 1 . 1 11 11 U C2' C 13 75.648 0.000 . . . . . . . 262 U C2' . 51137 2 97 . 1 . 1 11 11 U C6 C 13 141.095 0.000 . . . . . . . 262 U C6 . 51137 2 98 . 1 . 1 11 11 U N3 N 15 161.502 0.000 . . . . . . . 262 U N3 . 51137 2 99 . 1 . 1 12 12 A H1' H 1 6.021 0.003 . . . . . . . 263 A H1' . 51137 2 100 . 1 . 1 12 12 A H2 H 1 7.717 0.002 . . . . . . . 263 A H2 . 51137 2 101 . 1 . 1 12 12 A H2' H 1 4.217 0.005 . . . . . . . 263 A H2' . 51137 2 102 . 1 . 1 12 12 A H8 H 1 8.228 0.006 . . . . . . . 263 A H8 . 51137 2 103 . 1 . 1 12 12 A C1' C 13 90.587 0.000 . . . . . . . 263 A C1' . 51137 2 104 . 1 . 1 12 12 A C2 C 13 154.854 0.000 . . . . . . . 263 A C2 . 51137 2 105 . 1 . 1 12 12 A C8 C 13 140.792 0.000 . . . . . . . 263 A C8 . 51137 2 stop_ save_