data_51928 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51928 _Entry.Title ; Solid-state NMR data for 40-residue Arctic (E22G) Beta-Amyloid Fibril ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-18 _Entry.Accession_date 2023-04-18 _Entry.Last_release_date 2023-04-19 _Entry.Original_release_date 2023-04-19 _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 Mohammad Tehrani . J. . . 51928 2 Matsuda Isamu . . . . 51928 3 Tatsuya Matsunaga . . . . 51928 4 Yoshitaka Ishii . . . . 51928 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51928 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 95 51928 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 . . 2024-09-27 . original BMRB . 51928 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51928 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39147751 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; E22G Ab40 fibril structure and kinetics illuminate how Ab40 rather than Ab42 triggers familial Alzheimer's ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 7045 _Citation.Page_last 7045 _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 'Mohammad Jafar' Tehrani M. J. . . 51928 1 2 Isamu Matsuda I. . . . 51928 1 3 Atsushi Yamagata A. . . . 51928 1 4 Yu Kodama Y. . . . 51928 1 5 Tatsuya Matsunaga T. . . . 51928 1 6 Mayuko Sato M. . . . 51928 1 7 Kiminori Toyooka K. . . . 51928 1 8 Dan McElheny D. . . . 51928 1 9 Naohiro Kobayashi N. . . . 51928 1 10 Mikako Shirouzu M. . . . 51928 1 11 Yoshitaka Ishii Y. . . . 51928 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID "Amyloid, Fibril, Arctic, Beta-amyloid, E22G, Solid-state NMR, Alzheimer's, MAS" 51928 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51928 _Assembly.ID 1 _Assembly.Name 'Amyloid fibril' _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 'E22G Abeta40' 1 $entity_1 . . yes native no no . . . 51928 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51928 _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 ; DAEFRHDSGYEVHHQKLVFF AGDVGSNKGAIIGLMVGGVV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 40 _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_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 . ASP . 51928 1 2 . ALA . 51928 1 3 . GLU . 51928 1 4 . PHE . 51928 1 5 . ARG . 51928 1 6 . HIS . 51928 1 7 . ASP . 51928 1 8 . SER . 51928 1 9 . GLY . 51928 1 10 . TYR . 51928 1 11 . GLU . 51928 1 12 . VAL . 51928 1 13 . HIS . 51928 1 14 . HIS . 51928 1 15 . GLN . 51928 1 16 . LYS . 51928 1 17 . LEU . 51928 1 18 . VAL . 51928 1 19 . PHE . 51928 1 20 . PHE . 51928 1 21 . ALA . 51928 1 22 . GLY . 51928 1 23 . ASP . 51928 1 24 . VAL . 51928 1 25 . GLY . 51928 1 26 . SER . 51928 1 27 . ASN . 51928 1 28 . LYS . 51928 1 29 . GLY . 51928 1 30 . ALA . 51928 1 31 . ILE . 51928 1 32 . ILE . 51928 1 33 . GLY . 51928 1 34 . LEU . 51928 1 35 . MET . 51928 1 36 . VAL . 51928 1 37 . GLY . 51928 1 38 . GLY . 51928 1 39 . VAL . 51928 1 40 . VAL . 51928 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 . ASP 1 1 51928 1 . ALA 2 2 51928 1 . GLU 3 3 51928 1 . PHE 4 4 51928 1 . ARG 5 5 51928 1 . HIS 6 6 51928 1 . ASP 7 7 51928 1 . SER 8 8 51928 1 . GLY 9 9 51928 1 . TYR 10 10 51928 1 . GLU 11 11 51928 1 . VAL 12 12 51928 1 . HIS 13 13 51928 1 . HIS 14 14 51928 1 . GLN 15 15 51928 1 . LYS 16 16 51928 1 . LEU 17 17 51928 1 . VAL 18 18 51928 1 . PHE 19 19 51928 1 . PHE 20 20 51928 1 . ALA 21 21 51928 1 . GLY 22 22 51928 1 . ASP 23 23 51928 1 . VAL 24 24 51928 1 . GLY 25 25 51928 1 . SER 26 26 51928 1 . ASN 27 27 51928 1 . LYS 28 28 51928 1 . GLY 29 29 51928 1 . ALA 30 30 51928 1 . ILE 31 31 51928 1 . ILE 32 32 51928 1 . GLY 33 33 51928 1 . LEU 34 34 51928 1 . MET 35 35 51928 1 . VAL 36 36 51928 1 . GLY 37 37 51928 1 . GLY 38 38 51928 1 . VAL 39 39 51928 1 . VAL 40 40 51928 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 51928 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51928 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 51928 _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' . . . . . . . . . . . . . . . . 51928 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51928 _Sample.ID 1 _Sample.Name 'Amyloid fibril hydrated' _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Amyloid fibril' '13C, 15N labeled at selected sites' . . 1 $entity_1 . . N/A . . N/A . . . . 51928 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 51928 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Hydrated fibril' _Sample_condition_list.Details '10 mM phosphate buffer' 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' 10 . mM 51928 1 pH 7.4 . pH 51928 1 pressure 1 . atm 51928 1 temperature 293 . K 51928 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51928 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51928 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 51928 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance NEO' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51928 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'JEOL Resonance JNM-ECZR' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECZR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51928 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51928 1 2 '1H-detected (H)CH Hector' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51928 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 51928 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 0.00 na indirect 0.251449530 . . . . . 51928 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 51928 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '13C-13C correlation assignment' _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 0.02 _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 13C-13C DARR' . . . 51928 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 . . 51928 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 17 17 LEU C C 13 174.5 0.2 . 1 . . . . . 17 LEU C . 51928 1 2 . 1 . 1 17 17 LEU CA C 13 54.2 0.2 . 1 . . . . . 17 LEU CA . 51928 1 3 . 1 . 1 17 17 LEU CB C 13 45.4 0.2 . 1 . . . . . 17 LEU CB . 51928 1 4 . 1 . 1 17 17 LEU CG C 13 28.1 0.2 . 1 . . . . . 17 LEU CG . 51928 1 5 . 1 . 1 17 17 LEU CD1 C 13 27.6 0.2 . . . . . . . 17 LEU CD1 . 51928 1 6 . 1 . 1 17 17 LEU CD2 C 13 25.7 0.2 . . . . . . . 17 LEU CD2 . 51928 1 7 . 1 . 1 18 18 VAL C C 13 173.0 0.2 . 1 . . . . . 18 VAL C . 51928 1 8 . 1 . 1 18 18 VAL CA C 13 61.0 0.2 . 1 . . . . . 18 VAL CA . 51928 1 9 . 1 . 1 18 18 VAL CB C 13 34.6 0.2 . 1 . . . . . 18 VAL CB . 51928 1 10 . 1 . 1 18 18 VAL CG1 C 13 22.5 0.2 . . . . . . . 18 VAL CG1 . 51928 1 11 . 1 . 1 18 18 VAL CG2 C 13 21.2 0.2 . . . . . . . 18 VAL CG2 . 51928 1 12 . 1 . 1 19 19 PHE C C 13 173.1 0.2 . 1 . . . . . 19 PHE C . 51928 1 13 . 1 . 1 19 19 PHE CA C 13 55.9 0.2 . 1 . . . . . 19 PHE CA . 51928 1 14 . 1 . 1 19 19 PHE CB C 13 43.7 0.2 . 1 . . . . . 19 PHE CB . 51928 1 15 . 1 . 1 19 19 PHE CG C 13 138.7 0.2 . 1 . . . . . 19 PHE CG . 51928 1 16 . 1 . 1 19 19 PHE CD1 C 13 131.3 0.2 . . . . . . . 19 PHE CD1 . 51928 1 17 . 1 . 1 19 19 PHE CD2 C 13 131.3 0.2 . . . . . . . 19 PHE CD2 . 51928 1 18 . 1 . 1 20 20 PHE C C 13 174.5 0.2 . 1 . . . . . 20 PHE C . 51928 1 19 . 1 . 1 20 20 PHE CA C 13 57.2 0.2 . 1 . . . . . 20 PHE CA . 51928 1 20 . 1 . 1 20 20 PHE CB C 13 39.1 0.2 . 1 . . . . . 20 PHE CB . 51928 1 21 . 1 . 1 20 20 PHE CG C 13 139.1 0.2 . 1 . . . . . 20 PHE CG . 51928 1 22 . 1 . 1 20 20 PHE CD1 C 13 132.4 0.2 . . . . . . . 20 PHE CD1 . 51928 1 23 . 1 . 1 20 20 PHE CD2 C 13 132.4 0.2 . . . . . . . 20 PHE CD2 . 51928 1 24 . 1 . 1 20 20 PHE CE1 C 13 130.9 0.2 . . . . . . . 20 PHE CE1 . 51928 1 25 . 1 . 1 20 20 PHE CE2 C 13 130.9 0.2 . . . . . . . 20 PHE CE2 . 51928 1 26 . 1 . 1 20 20 PHE CZ C 13 127.4 0.2 . 1 . . . . . 20 PHE CZ . 51928 1 27 . 1 . 1 21 21 ALA C C 13 177.6 0.2 . 1 . . . . . 21 ALA C . 51928 1 28 . 1 . 1 21 21 ALA CA C 13 53.5 0.2 . 1 . . . . . 21 ALA CA . 51928 1 29 . 1 . 1 21 21 ALA CB C 13 20.4 0.2 . 1 . . . . . 21 ALA CB . 51928 1 30 . 1 . 1 23 23 ASP C C 13 176.6 0.2 . 1 . . . . . 23 ASP C . 51928 1 31 . 1 . 1 23 23 ASP CA C 13 54.3 0.2 . 1 . . . . . 23 ASP CA . 51928 1 32 . 1 . 1 23 23 ASP CB C 13 42.8 0.2 . 1 . . . . . 23 ASP CB . 51928 1 33 . 1 . 1 23 23 ASP CG C 13 179.7 0.2 . 1 . . . . . 23 ASP CG . 51928 1 34 . 1 . 1 24 24 VAL C C 13 177.1 0.2 . 1 . . . . . 24 VAL C . 51928 1 35 . 1 . 1 24 24 VAL CA C 13 60.9 0.2 . 1 . . . . . 24 VAL CA . 51928 1 36 . 1 . 1 24 24 VAL CB C 13 34.4 0.2 . 1 . . . . . 24 VAL CB . 51928 1 37 . 1 . 1 24 24 VAL CG1 C 13 21.2 0.2 . . . . . . . 24 VAL CG1 . 51928 1 38 . 1 . 1 24 24 VAL CG2 C 13 21.2 0.2 . . . . . . . 24 VAL CG2 . 51928 1 39 . 1 . 1 25 25 GLY C C 13 172.0 0.2 . 1 . . . . . 25 GLY C . 51928 1 40 . 1 . 1 25 25 GLY CA C 13 47.7 0.2 . 1 . . . . . 25 GLY CA . 51928 1 41 . 1 . 1 26 26 SER C C 13 173.0 0.2 . 1 . . . . . 26 SER C . 51928 1 42 . 1 . 1 26 26 SER CA C 13 57.3 0.2 . 1 . . . . . 26 SER CA . 51928 1 43 . 1 . 1 26 26 SER CB C 13 66.4 0.2 . 1 . . . . . 26 SER CB . 51928 1 44 . 1 . 1 27 27 ASN C C 13 173.7 0.2 . 1 . . . . . 27 ASN C . 51928 1 45 . 1 . 1 27 27 ASN CA C 13 52.8 0.2 . 1 . . . . . 27 ASN CA . 51928 1 46 . 1 . 1 27 27 ASN CB C 13 41.3 0.2 . 1 . . . . . 27 ASN CB . 51928 1 47 . 1 . 1 27 27 ASN CG C 13 174.9 0.2 . 1 . . . . . 27 ASN CG . 51928 1 48 . 1 . 1 28 28 LYS C C 13 173.8 0.2 . 1 . . . . . 28 LYS C . 51928 1 49 . 1 . 1 28 28 LYS CA C 13 56.1 0.2 . 1 . . . . . 28 LYS CA . 51928 1 50 . 1 . 1 28 28 LYS CB C 13 33.7 0.2 . 1 . . . . . 28 LYS CB . 51928 1 51 . 1 . 1 28 28 LYS CG C 13 27.0 0.2 . 1 . . . . . 28 LYS CG . 51928 1 52 . 1 . 1 28 28 LYS CD C 13 29.9 0.2 . 1 . . . . . 28 LYS CD . 51928 1 53 . 1 . 1 28 28 LYS CE C 13 42.2 0.2 . 1 . . . . . 28 LYS CE . 51928 1 54 . 1 . 1 29 29 GLY C C 13 172.1 0.2 . 1 . . . . . 29 GLY C . 51928 1 55 . 1 . 1 29 29 GLY CA C 13 44.2 0.2 . 1 . . . . . 29 GLY CA . 51928 1 56 . 1 . 1 30 30 ALA C C 13 175.5 0.2 . 1 . . . . . 30 ALA C . 51928 1 57 . 1 . 1 30 30 ALA CA C 13 50.4 0.2 . 1 . . . . . 30 ALA CA . 51928 1 58 . 1 . 1 30 30 ALA CB C 13 22.4 0.2 . 1 . . . . . 30 ALA CB . 51928 1 59 . 1 . 1 31 31 ILE C C 13 174.1 0.2 . 1 . . . . . 31 ILE C . 51928 1 60 . 1 . 1 31 31 ILE CA C 13 61.3 0.2 . 1 . . . . . 31 ILE CA . 51928 1 61 . 1 . 1 31 31 ILE CB C 13 41.5 0.2 . 1 . . . . . 31 ILE CB . 51928 1 62 . 1 . 1 31 31 ILE CG1 C 13 28.6 0.2 . 1 . . . . . 31 ILE CG1 . 51928 1 63 . 1 . 1 31 31 ILE CG2 C 13 18.1 0.2 . 1 . . . . . 31 ILE CG2 . 51928 1 64 . 1 . 1 31 31 ILE CD1 C 13 14.2 0.2 . 1 . . . . . 31 ILE CD1 . 51928 1 65 . 1 . 1 32 32 ILE C C 13 176.9 0.2 . 1 . . . . . 32 ILE C . 51928 1 66 . 1 . 1 32 32 ILE CA C 13 58.8 0.2 . 1 . . . . . 32 ILE CA . 51928 1 67 . 1 . 1 32 32 ILE CB C 13 42.0 0.2 . 1 . . . . . 32 ILE CB . 51928 1 68 . 1 . 1 32 32 ILE CG1 C 13 27.7 0.2 . 1 . . . . . 32 ILE CG1 . 51928 1 69 . 1 . 1 32 32 ILE CG2 C 13 17.8 0.2 . 1 . . . . . 32 ILE CG2 . 51928 1 70 . 1 . 1 32 32 ILE CD1 C 13 14.7 0.2 . 1 . . . . . 32 ILE CD1 . 51928 1 71 . 1 . 1 33 33 GLY C C 13 171.9 0.2 . 1 . . . . . 33 GLY C . 51928 1 72 . 1 . 1 33 33 GLY CA C 13 48.8 0.2 . 1 . . . . . 33 GLY CA . 51928 1 73 . 1 . 1 34 34 LEU C C 13 173.9 0.2 . 1 . . . . . 34 LEU C . 51928 1 74 . 1 . 1 34 34 LEU CA C 13 54.0 0.2 . 1 . . . . . 34 LEU CA . 51928 1 75 . 1 . 1 34 34 LEU CB C 13 46.7 0.2 . 1 . . . . . 34 LEU CB . 51928 1 76 . 1 . 1 34 34 LEU CG C 13 28.2 0.2 . 1 . . . . . 34 LEU CG . 51928 1 77 . 1 . 1 34 34 LEU CD1 C 13 25.7 0.2 . . . . . . . 34 LEU CD1 . 51928 1 78 . 1 . 1 34 34 LEU CD2 C 13 24.3 0.2 . . . . . . . 34 LEU CD2 . 51928 1 79 . 1 . 1 35 35 MET C C 13 173.6 0.2 . 1 . . . . . 35 MET C . 51928 1 80 . 1 . 1 35 35 MET CA C 13 54.3 0.2 . 1 . . . . . 35 MET CA . 51928 1 81 . 1 . 1 35 35 MET CB C 13 37.5 0.2 . 1 . . . . . 35 MET CB . 51928 1 82 . 1 . 1 35 35 MET CG C 13 31.3 0.2 . 1 . . . . . 35 MET CG . 51928 1 83 . 1 . 1 35 35 MET CE C 13 17.5 0.2 . 1 . . . . . 35 MET CE . 51928 1 84 . 1 . 1 36 36 VAL C C 13 174.4 0.2 . 1 . . . . . 36 VAL C . 51928 1 85 . 1 . 1 36 36 VAL CA C 13 60.4 0.2 . 1 . . . . . 36 VAL CA . 51928 1 86 . 1 . 1 36 36 VAL CB C 13 35.6 0.2 . 1 . . . . . 36 VAL CB . 51928 1 87 . 1 . 1 36 36 VAL CG1 C 13 23.2 0.2 . . . . . . . 36 VAL CG1 . 51928 1 88 . 1 . 1 36 36 VAL CG2 C 13 21.1 0.2 . . . . . . . 36 VAL CG2 . 51928 1 89 . 1 . 1 38 38 GLY C C 13 170.6 0.2 . 1 . . . . . 38 GLY C . 51928 1 90 . 1 . 1 38 38 GLY CA C 13 46.2 0.2 . 1 . . . . . 38 GLY CA . 51928 1 91 . 1 . 1 39 39 VAL C C 13 173.9 0.2 . 1 . . . . . 39 VAL C . 51928 1 92 . 1 . 1 39 39 VAL CA C 13 61.2 0.2 . 1 . . . . . 39 VAL CA . 51928 1 93 . 1 . 1 39 39 VAL CB C 13 35.3 0.2 . 1 . . . . . 39 VAL CB . 51928 1 94 . 1 . 1 39 39 VAL CG1 C 13 21.8 0.2 . . . . . . . 39 VAL CG1 . 51928 1 95 . 1 . 1 39 39 VAL CG2 C 13 21.8 0.2 . . . . . . . 39 VAL CG2 . 51928 1 stop_ save_