data_52104 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52104 _Entry.Title ; Solid State NMR chemical shift of Ost4V23D ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-26 _Entry.Accession_date 2023-08-26 _Entry.Last_release_date 2023-08-28 _Entry.Original_release_date 2023-08-28 _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 solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Bharat Chaudhary . P. . . 52104 2 Jochem Struppe . . . . 52104 3 Hem Moktan . . . . 52104 4 David Zoetewey . . . . 52104 5 Donghua zhou . . . . 52104 6 Smita Mohanty . . . . 52104 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52104 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 131 52104 '15N chemical shifts' 35 52104 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 . . 2024-03-09 . original BMRB . 52104 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52104 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38421550 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Reconstitution and resonance assignments of yeast OST subunit Ost4 and its critical mutant Ost4V23D in liposomes by solid-state NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2024 _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 Bharat Chaudhary . P. . . 52104 1 2 Jochem Struppe . . . . 52104 1 3 Hem Moktan . . . . 52104 1 4 David Zoetewey . . . . 52104 1 5 Donghua zhou . . . . 52104 1 6 Smita Mohanty . . . . 52104 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'N-linked glycosylation, Oligosaccharyltransferase, Solid-state NMR, Ost4, Lipid bilayer, Reconstitution, Membrane proteins' 52104 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52104 _Assembly.ID 1 _Assembly.Name Ost4V23D _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 Ost4V23D 1 $entity_1 . . yes native no no . . . 52104 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52104 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MISDEQLNSLAITFGIVMMT LIDIYHAVDSTMSPKNRLE ; _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 39 _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 'Valine at position 23 to Aspartate' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Acts as a bridge between subunits of a functional subcomplex thereby maintaining stability of the oligosacchharyltransferase' 52104 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 . MET . 52104 1 2 . ILE . 52104 1 3 . SER . 52104 1 4 . ASP . 52104 1 5 . GLU . 52104 1 6 . GLN . 52104 1 7 . LEU . 52104 1 8 . ASN . 52104 1 9 . SER . 52104 1 10 . LEU . 52104 1 11 . ALA . 52104 1 12 . ILE . 52104 1 13 . THR . 52104 1 14 . PHE . 52104 1 15 . GLY . 52104 1 16 . ILE . 52104 1 17 . VAL . 52104 1 18 . MET . 52104 1 19 . MET . 52104 1 20 . THR . 52104 1 21 . LEU . 52104 1 22 . ILE . 52104 1 23 . ASP . 52104 1 24 . ILE . 52104 1 25 . TYR . 52104 1 26 . HIS . 52104 1 27 . ALA . 52104 1 28 . VAL . 52104 1 29 . ASP . 52104 1 30 . SER . 52104 1 31 . THR . 52104 1 32 . MET . 52104 1 33 . SER . 52104 1 34 . PRO . 52104 1 35 . LYS . 52104 1 36 . ASN . 52104 1 37 . ARG . 52104 1 38 . LEU . 52104 1 39 . GLU . 52104 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 . MET 1 1 52104 1 . ILE 2 2 52104 1 . SER 3 3 52104 1 . ASP 4 4 52104 1 . GLU 5 5 52104 1 . GLN 6 6 52104 1 . LEU 7 7 52104 1 . ASN 8 8 52104 1 . SER 9 9 52104 1 . LEU 10 10 52104 1 . ALA 11 11 52104 1 . ILE 12 12 52104 1 . THR 13 13 52104 1 . PHE 14 14 52104 1 . GLY 15 15 52104 1 . ILE 16 16 52104 1 . VAL 17 17 52104 1 . MET 18 18 52104 1 . MET 19 19 52104 1 . THR 20 20 52104 1 . LEU 21 21 52104 1 . ILE 22 22 52104 1 . ASP 23 23 52104 1 . ILE 24 24 52104 1 . TYR 25 25 52104 1 . HIS 26 26 52104 1 . ALA 27 27 52104 1 . VAL 28 28 52104 1 . ASP 29 29 52104 1 . SER 30 30 52104 1 . THR 31 31 52104 1 . MET 32 32 52104 1 . SER 33 33 52104 1 . PRO 34 34 52104 1 . LYS 35 35 52104 1 . ASN 36 36 52104 1 . ARG 37 37 52104 1 . LEU 38 38 52104 1 . GLU 39 39 52104 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 52104 _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 . . . . . . . . . . . . . 52104 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 52104 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . GEV2 . . . 52104 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52104 _Sample.ID 1 _Sample.Name Ost4V23D _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '30% H2O' _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 Ost4V23D '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 14 12 16 mg . . . . 52104 1 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 52104 _Sample_condition_list.ID 1 _Sample_condition_list.Name '13C 15N labeled Ost4V23D reconstituted in POPC and POPE bilayer. Added 30% H2O.' _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 6.5 . pH 52104 1 temperature '230 to 283' . K 52104 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52104 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52104 1 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 52104 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Solid State NMR Spectrometer at Bruker Biospin Corporation, Billerica, MA, USA' _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 52104 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Solid State NMR Spectrometer at Bruker Biospin Corporation, Billerica, MA, USA' _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 52104 _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 13C-13C DARR' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52104 1 2 '3D NCOCX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52104 1 3 '3D CANcoCX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52104 1 4 '3D NCACX' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52104 1 5 '2D CHHC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52104 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 52104 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '13C, 15N' _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 adamantane 'methyl carbons' . . . . ppm 37.77 internal direct 1 . . . . . 52104 1 N 15 adamantane nitrogen . . . . ppm 117 internal direct 1 . . . . . 52104 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 52104 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ssNMR chemical shifts of Ost4V23D' _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 2 '3D NCOCX' . . . 52104 1 3 '3D CANcoCX' . . . 52104 1 4 '3D NCACX' . . . 52104 1 5 '2D CHHC' . . . 52104 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 . . 52104 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 3 3 SER C C 13 174.3920 . . . . . . . . 3 SER C . 52104 1 2 . 1 . 1 3 3 SER CA C 13 59.9739 . . . . . . . . 3 SER CA . 52104 1 3 . 1 . 1 3 3 SER CB C 13 60.6028 . . . . . . . . 3 SER CB . 52104 1 4 . 1 . 1 3 3 SER N N 15 121.8625 . . . . . . . . 3 SER N . 52104 1 5 . 1 . 1 4 4 ASP C C 13 177.2820 . . . . . . . . 4 ASP C . 52104 1 6 . 1 . 1 4 4 ASP CA C 13 56.3094 . . . . . . . . 4 ASP CA . 52104 1 7 . 1 . 1 4 4 ASP CB C 13 40.3948 . . . . . . . . 4 ASP CB . 52104 1 8 . 1 . 1 4 4 ASP N N 15 120.6125 . . . . . . . . 4 ASP N . 52104 1 9 . 1 . 1 5 5 GLU C C 13 176.8874 . . . . . . . . 5 GLU C . 52104 1 10 . 1 . 1 5 5 GLU CA C 13 57.2981 . . . . . . . . 5 GLU CA . 52104 1 11 . 1 . 1 5 5 GLU CB C 13 28.6461 . . . . . . . . 5 GLU CB . 52104 1 12 . 1 . 1 5 5 GLU N N 15 119.9875 . . . . . . . . 5 GLU N . 52104 1 13 . 1 . 1 6 6 GLN C C 13 177.3367 . . . . . . . . 6 GLN C . 52104 1 14 . 1 . 1 6 6 GLN CA C 13 56.7717 . . . . . . . . 6 GLN CA . 52104 1 15 . 1 . 1 6 6 GLN CB C 13 30.7311 . . . . . . . . 6 GLN CB . 52104 1 16 . 1 . 1 6 6 GLN N N 15 119.7380 . . . . . . . . 6 GLN N . 52104 1 17 . 1 . 1 7 7 LEU C C 13 177.1364 . . . . . . . . 7 LEU C . 52104 1 18 . 1 . 1 7 7 LEU CA C 13 56.1882 . . . . . . . . 7 LEU CA . 52104 1 19 . 1 . 1 7 7 LEU CB C 13 39.7098 . . . . . . . . 7 LEU CB . 52104 1 20 . 1 . 1 7 7 LEU CD1 C 13 24.1107 . . . . . . . . 7 LEU CD# . 52104 1 21 . 1 . 1 7 7 LEU CD2 C 13 24.1107 . . . . . . . . 7 LEU CD# . 52104 1 22 . 1 . 1 7 7 LEU N N 15 121.6024 . . . . . . . . 7 LEU N . 52104 1 23 . 1 . 1 8 8 ASN C C 13 175.6744 . . . . . . . . 8 ASN C . 52104 1 24 . 1 . 1 8 8 ASN CA C 13 55.3124 . . . . . . . . 8 ASN CA . 52104 1 25 . 1 . 1 8 8 ASN CB C 13 39.4044 . . . . . . . . 8 ASN CB . 52104 1 26 . 1 . 1 8 8 ASN N N 15 117.8646 . . . . . . . . 8 ASN N . 52104 1 27 . 1 . 1 9 9 SER C C 13 174.4203 . . . . . . . . 9 SER C . 52104 1 28 . 1 . 1 9 9 SER CA C 13 60.8341 . . . . . . . . 9 SER CA . 52104 1 29 . 1 . 1 9 9 SER CB C 13 61.1497 . . . . . . . . 9 SER CB . 52104 1 30 . 1 . 1 9 9 SER N N 15 115.7333 . . . . . . . . 9 SER N . 52104 1 31 . 1 . 1 10 10 LEU C C 13 177.0352 . . . . . . . . 10 LEU C . 52104 1 32 . 1 . 1 10 10 LEU CA C 13 55.8876 . . . . . . . . 10 LEU CA . 52104 1 33 . 1 . 1 10 10 LEU CB C 13 39.1305 . . . . . . . . 10 LEU CB . 52104 1 34 . 1 . 1 10 10 LEU CG C 13 24.7355 . . . . . . . . 10 LEU CG . 52104 1 35 . 1 . 1 10 10 LEU N N 15 121.4916 . . . . . . . . 10 LEU N . 52104 1 36 . 1 . 1 11 11 ALA C C 13 177.5262 . . . . . . . . 11 ALA C . 52104 1 37 . 1 . 1 11 11 ALA CA C 13 53.2209 . . . . . . . . 11 ALA CA . 52104 1 38 . 1 . 1 11 11 ALA CB C 13 16.0379 . . . . . . . . 11 ALA CB . 52104 1 39 . 1 . 1 11 11 ALA N N 15 122.6414 . . . . . . . . 11 ALA N . 52104 1 40 . 1 . 1 12 12 ILE C C 13 177.3038 . . . . . . . . 12 ILE C . 52104 1 41 . 1 . 1 12 12 ILE CA C 13 58.1000 . . . . . . . . 12 ILE CA . 52104 1 42 . 1 . 1 12 12 ILE CB C 13 39.8372 . . . . . . . . 12 ILE CB . 52104 1 43 . 1 . 1 12 12 ILE CG1 C 13 25.4142 . . . . . . . . 12 ILE CG1 . 52104 1 44 . 1 . 1 12 12 ILE CG2 C 13 15.2881 . . . . . . . . 12 ILE CG2 . 52104 1 45 . 1 . 1 12 12 ILE CD1 C 13 12.4247 . . . . . . . . 12 ILE CD1 . 52104 1 46 . 1 . 1 12 12 ILE N N 15 118.5369 . . . . . . . . 12 ILE N . 52104 1 47 . 1 . 1 13 13 THR C C 13 175.2092 . . . . . . . . 13 THR C . 52104 1 48 . 1 . 1 13 13 THR CA C 13 66.2011 . . . . . . . . 13 THR CA . 52104 1 49 . 1 . 1 13 13 THR CB C 13 67.1242 . . . . . . . . 13 THR CB . 52104 1 50 . 1 . 1 13 13 THR CG2 C 13 19.1547 . . . . . . . . 13 THR CG2 . 52104 1 51 . 1 . 1 13 13 THR N N 15 116.6619 . . . . . . . . 13 THR N . 52104 1 52 . 1 . 1 14 14 PHE C C 13 174.6440 . . . . . . . . 14 PHE C . 52104 1 53 . 1 . 1 14 14 PHE CA C 13 63.6747 . . . . . . . . 14 PHE CA . 52104 1 54 . 1 . 1 14 14 PHE CB C 13 36.3752 . . . . . . . . 14 PHE CB . 52104 1 55 . 1 . 1 14 14 PHE N N 15 119.3561 . . . . . . . . 14 PHE N . 52104 1 56 . 1 . 1 15 15 GLY C C 13 172.4244 . . . . . . . . 15 GLY C . 52104 1 57 . 1 . 1 15 15 GLY CA C 13 45.8718 . . . . . . . . 15 GLY CA . 52104 1 58 . 1 . 1 15 15 GLY N N 15 105.7142 . . . . . . . . 15 GLY N . 52104 1 59 . 1 . 1 16 16 ILE C C 13 175.8281 . . . . . . . . 16 ILE C . 52104 1 60 . 1 . 1 16 16 ILE CA C 13 65.3575 . . . . . . . . 16 ILE CA . 52104 1 61 . 1 . 1 16 16 ILE CB C 13 39.6679 . . . . . . . . 16 ILE CB . 52104 1 62 . 1 . 1 16 16 ILE CG1 C 13 28.8289 . . . . . . . . 16 ILE CG1 . 52104 1 63 . 1 . 1 16 16 ILE CG2 C 13 16.4383 . . . . . . . . 16 ILE CG2 . 52104 1 64 . 1 . 1 16 16 ILE N N 15 121.4640 . . . . . . . . 16 ILE N . 52104 1 65 . 1 . 1 17 17 VAL C C 13 175.9802 . . . . . . . . 17 VAL C . 52104 1 66 . 1 . 1 17 17 VAL CA C 13 65.0188 . . . . . . . . 17 VAL CA . 52104 1 67 . 1 . 1 17 17 VAL CB C 13 28.9338 . . . . . . . . 17 VAL CB . 52104 1 68 . 1 . 1 17 17 VAL CG1 C 13 21.8222 . . . . . . . . 17 VAL CG1 . 52104 1 69 . 1 . 1 17 17 VAL CG2 C 13 21.4298 . . . . . . . . 17 VAL CG2 . 52104 1 70 . 1 . 1 18 18 MET C C 13 175.6444 . . . . . . . . 18 MET C . 52104 1 71 . 1 . 1 18 18 MET CA C 13 54.6219 . . . . . . . . 18 MET CA . 52104 1 72 . 1 . 1 18 18 MET CB C 13 28.5105 . . . . . . . . 18 MET CB . 52104 1 73 . 1 . 1 18 18 MET N N 15 118.9016 . . . . . . . . 18 MET N . 52104 1 74 . 1 . 1 19 19 MET C C 13 176.2203 . . . . . . . . 19 MET C . 52104 1 75 . 1 . 1 19 19 MET CA C 13 54.3691 . . . . . . . . 19 MET CA . 52104 1 76 . 1 . 1 19 19 MET CB C 13 30.3673 . . . . . . . . 19 MET CB . 52104 1 77 . 1 . 1 19 19 MET N N 15 117.2885 . . . . . . . . 19 MET N . 52104 1 78 . 1 . 1 20 20 THR C C 13 173.1968 . . . . . . . . 20 THR C . 52104 1 79 . 1 . 1 20 20 THR CA C 13 65.9161 . . . . . . . . 20 THR CA . 52104 1 80 . 1 . 1 20 20 THR CB C 13 68.1409 . . . . . . . . 20 THR CB . 52104 1 81 . 1 . 1 20 20 THR CG2 C 13 20.1781 . . . . . . . . 20 THR CG2 . 52104 1 82 . 1 . 1 20 20 THR N N 15 117.2969 . . . . . . . . 20 THR N . 52104 1 83 . 1 . 1 21 21 LEU C C 13 177.0861 . . . . . . . . 21 LEU C . 52104 1 84 . 1 . 1 21 21 LEU CA C 13 55.9767 . . . . . . . . 21 LEU CA . 52104 1 85 . 1 . 1 21 21 LEU CB C 13 39.6873 . . . . . . . . 21 LEU CB . 52104 1 86 . 1 . 1 21 21 LEU CD1 C 13 24.2848 . . . . . . . . 21 LEU CD# . 52104 1 87 . 1 . 1 21 21 LEU CD2 C 13 24.2848 . . . . . . . . 21 LEU CD# . 52104 1 88 . 1 . 1 21 21 LEU N N 15 120.4677 . . . . . . . . 21 LEU N . 52104 1 89 . 1 . 1 22 22 ILE C C 13 175.3962 . . . . . . . . 22 ILE C . 52104 1 90 . 1 . 1 22 22 ILE CA C 13 64.0045 . . . . . . . . 22 ILE CA . 52104 1 91 . 1 . 1 22 22 ILE CB C 13 40.0969 . . . . . . . . 22 ILE CB . 52104 1 92 . 1 . 1 22 22 ILE CG1 C 13 28.8938 . . . . . . . . 22 ILE CG1 . 52104 1 93 . 1 . 1 22 22 ILE CD1 C 13 15.5272 . . . . . . . . 22 ILE CD1 . 52104 1 94 . 1 . 1 22 22 ILE N N 15 119.8111 . . . . . . . . 22 ILE N . 52104 1 95 . 1 . 1 23 23 ASP C C 13 176.1171 . . . . . . . . 23 ASP C . 52104 1 96 . 1 . 1 23 23 ASP CA C 13 55.7549 . . . . . . . . 23 ASP CA . 52104 1 97 . 1 . 1 23 23 ASP CB C 13 40.1272 . . . . . . . . 23 ASP CB . 52104 1 98 . 1 . 1 23 23 ASP N N 15 122.1025 . . . . . . . . 23 ASP N . 52104 1 99 . 1 . 1 24 24 ILE C C 13 176.3159 . . . . . . . . 24 ILE C . 52104 1 100 . 1 . 1 24 24 ILE CA C 13 63.7454 . . . . . . . . 24 ILE CA . 52104 1 101 . 1 . 1 24 24 ILE CB C 13 35.5161 . . . . . . . . 24 ILE CB . 52104 1 102 . 1 . 1 24 24 ILE CG1 C 13 29.4702 . . . . . . . . 24 ILE CG1 . 52104 1 103 . 1 . 1 24 24 ILE CG2 C 13 15.5415 . . . . . . . . 24 ILE CG2 . 52104 1 104 . 1 . 1 24 24 ILE CD1 C 13 15.2440 . . . . . . . . 24 ILE CD1 . 52104 1 105 . 1 . 1 24 24 ILE N N 15 118.9015 . . . . . . . . 24 ILE N . 52104 1 106 . 1 . 1 25 25 TYR C C 13 175.1568 . . . . . . . . 25 TYR C . 52104 1 107 . 1 . 1 25 25 TYR CA C 13 59.7681 . . . . . . . . 25 TYR CA . 52104 1 108 . 1 . 1 25 25 TYR CB C 13 38.9850 . . . . . . . . 25 TYR CB . 52104 1 109 . 1 . 1 25 25 TYR N N 15 120.4641 . . . . . . . . 25 TYR N . 52104 1 110 . 1 . 1 26 26 HIS CA C 13 59.1980 . . . . . . . . 26 HIS CA . 52104 1 111 . 1 . 1 26 26 HIS CB C 13 29.1399 . . . . . . . . 26 HIS CB . 52104 1 112 . 1 . 1 26 26 HIS N N 15 115.2834 . . . . . . . . 26 HIS N . 52104 1 113 . 1 . 1 27 27 ALA C C 13 177.1564 . . . . . . . . 27 ALA C . 52104 1 114 . 1 . 1 27 27 ALA CA C 13 52.8844 . . . . . . . . 27 ALA CA . 52104 1 115 . 1 . 1 27 27 ALA CB C 13 17.4901 . . . . . . . . 27 ALA CB . 52104 1 116 . 1 . 1 27 27 ALA N N 15 121.9474 . . . . . . . . 27 ALA N . 52104 1 117 . 1 . 1 28 28 VAL C C 13 175.8572 . . . . . . . . 28 VAL C . 52104 1 118 . 1 . 1 28 28 VAL CA C 13 64.6145 . . . . . . . . 28 VAL CA . 52104 1 119 . 1 . 1 28 28 VAL CB C 13 29.2254 . . . . . . . . 28 VAL CB . 52104 1 120 . 1 . 1 28 28 VAL CG1 C 13 21.6855 . . . . . . . . 28 VAL CG# . 52104 1 121 . 1 . 1 28 28 VAL CG2 C 13 21.6855 . . . . . . . . 28 VAL CG# . 52104 1 122 . 1 . 1 28 28 VAL N N 15 120.8184 . . . . . . . . 28 VAL N . 52104 1 123 . 1 . 1 29 29 ASP C C 13 175.9698 . . . . . . . . 29 ASP C . 52104 1 124 . 1 . 1 29 29 ASP CA C 13 55.5816 . . . . . . . . 29 ASP CA . 52104 1 125 . 1 . 1 29 29 ASP CB C 13 39.7378 . . . . . . . . 29 ASP CB . 52104 1 126 . 1 . 1 29 29 ASP N N 15 119.6750 . . . . . . . . 29 ASP N . 52104 1 127 . 1 . 1 30 30 SER C C 13 175.5889 . . . . . . . . 30 SER C . 52104 1 128 . 1 . 1 30 30 SER CA C 13 60.4292 . . . . . . . . 30 SER CA . 52104 1 129 . 1 . 1 30 30 SER CB C 13 61.0418 . . . . . . . . 30 SER CB . 52104 1 130 . 1 . 1 30 30 SER N N 15 115.6473 . . . . . . . . 30 SER N . 52104 1 131 . 1 . 1 31 31 THR C C 13 175.7275 . . . . . . . . 31 THR C . 52104 1 132 . 1 . 1 31 31 THR CA C 13 65.6871 . . . . . . . . 31 THR CA . 52104 1 133 . 1 . 1 31 31 THR CB C 13 66.1100 . . . . . . . . 31 THR CB . 52104 1 134 . 1 . 1 31 31 THR CG2 C 13 18.5753 . . . . . . . . 31 THR CG2 . 52104 1 135 . 1 . 1 31 31 THR N N 15 116.6560 . . . . . . . . 31 THR N . 52104 1 136 . 1 . 1 32 32 MET C C 13 175.6074 . . . . . . . . 32 MET C . 52104 1 137 . 1 . 1 32 32 MET CA C 13 54.0573 . . . . . . . . 32 MET CA . 52104 1 138 . 1 . 1 32 32 MET CB C 13 31.5440 . . . . . . . . 32 MET CB . 52104 1 139 . 1 . 1 32 32 MET N N 15 116.4002 . . . . . . . . 32 MET N . 52104 1 140 . 1 . 1 33 33 SER C C 13 175.8877 . . . . . . . . 33 SER C . 52104 1 141 . 1 . 1 33 33 SER CA C 13 60.2871 . . . . . . . . 33 SER CA . 52104 1 142 . 1 . 1 33 33 SER CB C 13 61.1597 . . . . . . . . 33 SER CB . 52104 1 143 . 1 . 1 33 33 SER N N 15 115.0363 . . . . . . . . 33 SER N . 52104 1 144 . 1 . 1 35 35 LYS C C 13 171.9962 . . . . . . . . 35 LYS C . 52104 1 145 . 1 . 1 35 35 LYS CA C 13 57.8198 . . . . . . . . 35 LYS CA . 52104 1 146 . 1 . 1 35 35 LYS CB C 13 33.3629 . . . . . . . . 35 LYS CB . 52104 1 147 . 1 . 1 35 35 LYS CG C 13 19.6623 . . . . . . . . 35 LYS CG . 52104 1 148 . 1 . 1 35 35 LYS N N 15 125.9832 . . . . . . . . 35 LYS N . 52104 1 149 . 1 . 1 36 36 ASN C C 13 172.1709 . . . . . . . . 36 ASN C . 52104 1 150 . 1 . 1 36 36 ASN CA C 13 57.9072 . . . . . . . . 36 ASN CA . 52104 1 151 . 1 . 1 36 36 ASN CB C 13 40.7398 . . . . . . . . 36 ASN CB . 52104 1 152 . 1 . 1 36 36 ASN N N 15 126.7239 . . . . . . . . 36 ASN N . 52104 1 153 . 1 . 1 37 37 ARG C C 13 171.7033 . . . . . . . . 37 ARG C . 52104 1 154 . 1 . 1 37 37 ARG CA C 13 58.5296 . . . . . . . . 37 ARG CA . 52104 1 155 . 1 . 1 37 37 ARG CB C 13 32.8933 . . . . . . . . 37 ARG CB . 52104 1 156 . 1 . 1 37 37 ARG N N 15 126.3493 . . . . . . . . 37 ARG N . 52104 1 157 . 1 . 1 38 38 LEU C C 13 176.2474 . . . . . . . . 38 LEU C . 52104 1 158 . 1 . 1 38 38 LEU CA C 13 55.9417 . . . . . . . . 38 LEU CA . 52104 1 159 . 1 . 1 38 38 LEU CB C 13 39.2132 . . . . . . . . 38 LEU CB . 52104 1 160 . 1 . 1 38 38 LEU CD1 C 13 24.9087 . . . . . . . . 38 LEU CD# . 52104 1 161 . 1 . 1 38 38 LEU CD2 C 13 24.9087 . . . . . . . . 38 LEU CD# . 52104 1 162 . 1 . 1 38 38 LEU N N 15 120.4119 . . . . . . . . 38 LEU N . 52104 1 163 . 1 . 1 39 39 GLU C C 13 171.6955 . . . . . . . . 39 GLU C . 52104 1 164 . 1 . 1 39 39 GLU CA C 13 58.7204 . . . . . . . . 39 GLU CA . 52104 1 165 . 1 . 1 39 39 GLU CB C 13 33.0109 . . . . . . . . 39 GLU CB . 52104 1 166 . 1 . 1 39 39 GLU N N 15 127.9118 . . . . . . . . 39 GLU N . 52104 1 stop_ save_