data_53282 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53282 _Entry.Title ; DNAJC7_JD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-07-15 _Entry.Accession_date 2025-07-15 _Entry.Last_release_date 2025-07-15 _Entry.Original_release_date 2025-07-15 _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 . _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 Bar Elmaleh . . . . 53282 2 Rina Rosenzweig . . . . 53282 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53282 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 199 53282 '15N chemical shifts' 68 53282 '1H chemical shifts' 68 53282 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 . . 2026-01-23 . original BMRB . 53282 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53282 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41531269 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The ALS-associated E425K mutation uncouples DNAJC7 from the Hsp70 chaperone cycle ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _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 2026 _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 Bar Elmaleh . . . . 53282 1 2 Ofrah Faust . . . . 53282 1 3 Rina Rosenzweig . . . . 53282 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53282 _Assembly.ID 1 _Assembly.Name DNAJC7_JD _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 DNAJC7_JD 1 $entity_1 . . yes native no no . . . 53282 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53282 _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 ; DYYKILGVDKNASEDEIKKA YRKRALMHHPDRHSGASAEV QKEEEKKFKEVGEAFTILSD PKKKTRYDSGQ ; _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 71 _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 . 53282 1 2 . TYR . 53282 1 3 . TYR . 53282 1 4 . LYS . 53282 1 5 . ILE . 53282 1 6 . LEU . 53282 1 7 . GLY . 53282 1 8 . VAL . 53282 1 9 . ASP . 53282 1 10 . LYS . 53282 1 11 . ASN . 53282 1 12 . ALA . 53282 1 13 . SER . 53282 1 14 . GLU . 53282 1 15 . ASP . 53282 1 16 . GLU . 53282 1 17 . ILE . 53282 1 18 . LYS . 53282 1 19 . LYS . 53282 1 20 . ALA . 53282 1 21 . TYR . 53282 1 22 . ARG . 53282 1 23 . LYS . 53282 1 24 . ARG . 53282 1 25 . ALA . 53282 1 26 . LEU . 53282 1 27 . MET . 53282 1 28 . HIS . 53282 1 29 . HIS . 53282 1 30 . PRO . 53282 1 31 . ASP . 53282 1 32 . ARG . 53282 1 33 . HIS . 53282 1 34 . SER . 53282 1 35 . GLY . 53282 1 36 . ALA . 53282 1 37 . SER . 53282 1 38 . ALA . 53282 1 39 . GLU . 53282 1 40 . VAL . 53282 1 41 . GLN . 53282 1 42 . LYS . 53282 1 43 . GLU . 53282 1 44 . GLU . 53282 1 45 . GLU . 53282 1 46 . LYS . 53282 1 47 . LYS . 53282 1 48 . PHE . 53282 1 49 . LYS . 53282 1 50 . GLU . 53282 1 51 . VAL . 53282 1 52 . GLY . 53282 1 53 . GLU . 53282 1 54 . ALA . 53282 1 55 . PHE . 53282 1 56 . THR . 53282 1 57 . ILE . 53282 1 58 . LEU . 53282 1 59 . SER . 53282 1 60 . ASP . 53282 1 61 . PRO . 53282 1 62 . LYS . 53282 1 63 . LYS . 53282 1 64 . LYS . 53282 1 65 . THR . 53282 1 66 . ARG . 53282 1 67 . TYR . 53282 1 68 . ASP . 53282 1 69 . SER . 53282 1 70 . GLY . 53282 1 71 . GLN . 53282 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 53282 1 . TYR 2 2 53282 1 . TYR 3 3 53282 1 . LYS 4 4 53282 1 . ILE 5 5 53282 1 . LEU 6 6 53282 1 . GLY 7 7 53282 1 . VAL 8 8 53282 1 . ASP 9 9 53282 1 . LYS 10 10 53282 1 . ASN 11 11 53282 1 . ALA 12 12 53282 1 . SER 13 13 53282 1 . GLU 14 14 53282 1 . ASP 15 15 53282 1 . GLU 16 16 53282 1 . ILE 17 17 53282 1 . LYS 18 18 53282 1 . LYS 19 19 53282 1 . ALA 20 20 53282 1 . TYR 21 21 53282 1 . ARG 22 22 53282 1 . LYS 23 23 53282 1 . ARG 24 24 53282 1 . ALA 25 25 53282 1 . LEU 26 26 53282 1 . MET 27 27 53282 1 . HIS 28 28 53282 1 . HIS 29 29 53282 1 . PRO 30 30 53282 1 . ASP 31 31 53282 1 . ARG 32 32 53282 1 . HIS 33 33 53282 1 . SER 34 34 53282 1 . GLY 35 35 53282 1 . ALA 36 36 53282 1 . SER 37 37 53282 1 . ALA 38 38 53282 1 . GLU 39 39 53282 1 . VAL 40 40 53282 1 . GLN 41 41 53282 1 . LYS 42 42 53282 1 . GLU 43 43 53282 1 . GLU 44 44 53282 1 . GLU 45 45 53282 1 . LYS 46 46 53282 1 . LYS 47 47 53282 1 . PHE 48 48 53282 1 . LYS 49 49 53282 1 . GLU 50 50 53282 1 . VAL 51 51 53282 1 . GLY 52 52 53282 1 . GLU 53 53 53282 1 . ALA 54 54 53282 1 . PHE 55 55 53282 1 . THR 56 56 53282 1 . ILE 57 57 53282 1 . LEU 58 58 53282 1 . SER 59 59 53282 1 . ASP 60 60 53282 1 . PRO 61 61 53282 1 . LYS 62 62 53282 1 . LYS 63 63 53282 1 . LYS 64 64 53282 1 . THR 65 65 53282 1 . ARG 66 66 53282 1 . TYR 67 67 53282 1 . ASP 68 68 53282 1 . SER 69 69 53282 1 . GLY 70 70 53282 1 . GLN 71 71 53282 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 53282 _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 . . . . . . . . . . . . . 53282 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 53282 _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 . . pET29b . . . 53282 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53282 _Sample.ID 1 _Sample.Name DNAJC7_JD _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 DNAJC7_JD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 3 . . mM . . . . 53282 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 53282 _Sample_condition_list.ID 1 _Sample_condition_list.Name DNAJC7_JD _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 53282 1 pH 7 . pH 53282 1 pressure 1 . atm 53282 1 temperature 298 . K 53282 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53282 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53282 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53282 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53282 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53282 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53282 3 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 53282 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker_600Hz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 53282 _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-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53282 1 2 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53282 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53282 1 4 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53282 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53282 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 53282 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DNAJC7_JD _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 carbon' . . . . ppm 0 internal direct 1 . . . . . 53282 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53282 1 N 15 urea nitrogen . . . . ppm 0 external direct 1 . . . . . 53282 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 53282 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DNAJC7_JD _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53282 1 2 '3D HNCACO' . . . 53282 1 3 '3D HNCO' . . . 53282 1 4 '3D CBCA(CO)NH' . . . 53282 1 5 '3D HNCACB' . . . 53282 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 . . 53282 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 2 2 TYR H H 1 7.453459902 0.001389899203 . . . . . . . 2 TYR H . 53282 1 2 . 1 . 1 2 2 TYR C C 13 174.1672219 0 . . . . . . . 2 TYR C . 53282 1 3 . 1 . 1 2 2 TYR CA C 13 56.6051609 0 . . . . . . . 2 TYR CA . 53282 1 4 . 1 . 1 2 2 TYR CB C 13 35.19684517 0 . . . . . . . 2 TYR CB . 53282 1 5 . 1 . 1 2 2 TYR N N 15 121.4886498 0.005078796131 . . . . . . . 2 TYR N . 53282 1 6 . 1 . 1 3 3 TYR H H 1 7.690895025 0.001907781623 . . . . . . . 3 TYR H . 53282 1 7 . 1 . 1 3 3 TYR C C 13 175.6135995 0 . . . . . . . 3 TYR C . 53282 1 8 . 1 . 1 3 3 TYR CA C 13 59.71095946 0 . . . . . . . 3 TYR CA . 53282 1 9 . 1 . 1 3 3 TYR CB C 13 33.46685371 0 . . . . . . . 3 TYR CB . 53282 1 10 . 1 . 1 3 3 TYR N N 15 116.5243194 0.003766683733 . . . . . . . 3 TYR N . 53282 1 11 . 1 . 1 4 4 LYS H H 1 7.704534457 0.0009226060623 . . . . . . . 4 LYS H . 53282 1 12 . 1 . 1 4 4 LYS C C 13 177.9029142 0 . . . . . . . 4 LYS C . 53282 1 13 . 1 . 1 4 4 LYS CA C 13 56.20999549 0 . . . . . . . 4 LYS CA . 53282 1 14 . 1 . 1 4 4 LYS CB C 13 29.54017017 0 . . . . . . . 4 LYS CB . 53282 1 15 . 1 . 1 4 4 LYS N N 15 120.9442013 0.006515158972 . . . . . . . 4 LYS N . 53282 1 16 . 1 . 1 5 5 ILE H H 1 8.023273247 0.001317853693 . . . . . . . 5 ILE H . 53282 1 17 . 1 . 1 5 5 ILE C C 13 175.1053535 0 . . . . . . . 5 ILE C . 53282 1 18 . 1 . 1 5 5 ILE CA C 13 61.62486336 0 . . . . . . . 5 ILE CA . 53282 1 19 . 1 . 1 5 5 ILE CB C 13 35.15373918 0 . . . . . . . 5 ILE CB . 53282 1 20 . 1 . 1 5 5 ILE N N 15 119.9293789 0.02827230034 . . . . . . . 5 ILE N . 53282 1 21 . 1 . 1 6 6 LEU H H 1 7.209734159 0 . . . . . . . 6 LEU H . 53282 1 22 . 1 . 1 6 6 LEU C C 13 175.1234117 0 . . . . . . . 6 LEU C . 53282 1 23 . 1 . 1 6 6 LEU CA C 13 52.28566539 0 . . . . . . . 6 LEU CA . 53282 1 24 . 1 . 1 6 6 LEU CB C 13 40.02158749 0 . . . . . . . 6 LEU CB . 53282 1 25 . 1 . 1 6 6 LEU N N 15 115.9859384 0 . . . . . . . 6 LEU N . 53282 1 26 . 1 . 1 7 7 GLY H H 1 7.995376528 0.00162743331 . . . . . . . 7 GLY H . 53282 1 27 . 1 . 1 7 7 GLY C C 13 172.359094 0 . . . . . . . 7 GLY C . 53282 1 28 . 1 . 1 7 7 GLY CA C 13 43.63598457 0 . . . . . . . 7 GLY CA . 53282 1 29 . 1 . 1 7 7 GLY N N 15 108.5771086 0.007067268495 . . . . . . . 7 GLY N . 53282 1 30 . 1 . 1 8 8 VAL H H 1 7.82481722 0.003059792753 . . . . . . . 8 VAL H . 53282 1 31 . 1 . 1 8 8 VAL C C 13 171.4068749 0 . . . . . . . 8 VAL C . 53282 1 32 . 1 . 1 8 8 VAL CA C 13 55.72341812 0 . . . . . . . 8 VAL CA . 53282 1 33 . 1 . 1 8 8 VAL CB C 13 32.2583227 0 . . . . . . . 8 VAL CB . 53282 1 34 . 1 . 1 8 8 VAL N N 15 111.2239738 0.01610172498 . . . . . . . 8 VAL N . 53282 1 35 . 1 . 1 9 9 ASP H H 1 8.171408528 0.001651080937 . . . . . . . 9 ASP H . 53282 1 36 . 1 . 1 9 9 ASP C C 13 173.578664 0 . . . . . . . 9 ASP C . 53282 1 37 . 1 . 1 9 9 ASP CA C 13 50.47006041 0 . . . . . . . 9 ASP CA . 53282 1 38 . 1 . 1 9 9 ASP CB C 13 40.39058776 0 . . . . . . . 9 ASP CB . 53282 1 39 . 1 . 1 9 9 ASP N N 15 119.7020367 0.009496660782 . . . . . . . 9 ASP N . 53282 1 40 . 1 . 1 10 10 LYS H H 1 7.908757233 0.001175424284 . . . . . . . 10 LYS H . 53282 1 41 . 1 . 1 10 10 LYS C C 13 174.3887858 0 . . . . . . . 10 LYS C . 53282 1 42 . 1 . 1 10 10 LYS CA C 13 55.27050048 0 . . . . . . . 10 LYS CA . 53282 1 43 . 1 . 1 10 10 LYS CB C 13 29.05008183 0 . . . . . . . 10 LYS CB . 53282 1 44 . 1 . 1 10 10 LYS N N 15 117.5104976 0.01767094123 . . . . . . . 10 LYS N . 53282 1 45 . 1 . 1 11 11 ASN H H 1 8.094778471 0.0005930818024 . . . . . . . 11 ASN H . 53282 1 46 . 1 . 1 11 11 ASN C C 13 172.4405632 0 . . . . . . . 11 ASN C . 53282 1 47 . 1 . 1 11 11 ASN CA C 13 49.73964946 0 . . . . . . . 11 ASN CA . 53282 1 48 . 1 . 1 11 11 ASN CB C 13 35.42820259 0 . . . . . . . 11 ASN CB . 53282 1 49 . 1 . 1 11 11 ASN N N 15 116.8091988 0.01225295696 . . . . . . . 11 ASN N . 53282 1 50 . 1 . 1 12 12 ALA H H 1 7.540606243 0.0008762214737 . . . . . . . 12 ALA H . 53282 1 51 . 1 . 1 12 12 ALA C C 13 174.8571875 0 . . . . . . . 12 ALA C . 53282 1 52 . 1 . 1 12 12 ALA CA C 13 50.37200947 0 . . . . . . . 12 ALA CA . 53282 1 53 . 1 . 1 12 12 ALA CB C 13 17.03911962 0 . . . . . . . 12 ALA CB . 53282 1 54 . 1 . 1 12 12 ALA N N 15 123.0276351 0.01164691485 . . . . . . . 12 ALA N . 53282 1 55 . 1 . 1 13 13 SER H H 1 8.705680322 0.0004331030824 . . . . . . . 13 SER H . 53282 1 56 . 1 . 1 13 13 SER C C 13 171.9360385 0 . . . . . . . 13 SER C . 53282 1 57 . 1 . 1 13 13 SER CA C 13 54.30445061 0 . . . . . . . 13 SER CA . 53282 1 58 . 1 . 1 13 13 SER CB C 13 63.10374443 0 . . . . . . . 13 SER CB . 53282 1 59 . 1 . 1 13 13 SER N N 15 117.7852472 0.01207308821 . . . . . . . 13 SER N . 53282 1 60 . 1 . 1 14 14 GLU H H 1 8.972434027 0.001354050925 . . . . . . . 14 GLU H . 53282 1 61 . 1 . 1 14 14 GLU C C 13 176.4266374 0 . . . . . . . 14 GLU C . 53282 1 62 . 1 . 1 14 14 GLU CA C 13 57.47127332 0 . . . . . . . 14 GLU CA . 53282 1 63 . 1 . 1 14 14 GLU CB C 13 26.94787848 0 . . . . . . . 14 GLU CB . 53282 1 64 . 1 . 1 14 14 GLU N N 15 120.789982 0.008416151149 . . . . . . . 14 GLU N . 53282 1 65 . 1 . 1 15 15 ASP H H 1 8.406080152 0.001305932038 . . . . . . . 15 ASP H . 53282 1 66 . 1 . 1 15 15 ASP C C 13 175.7238294 0 . . . . . . . 15 ASP C . 53282 1 67 . 1 . 1 15 15 ASP CA C 13 54.80722566 0.06471127324 . . . . . . . 15 ASP CA . 53282 1 68 . 1 . 1 15 15 ASP CB C 13 38.75165702 0 . . . . . . . 15 ASP CB . 53282 1 69 . 1 . 1 15 15 ASP N N 15 118.1645944 0.008222033417 . . . . . . . 15 ASP N . 53282 1 70 . 1 . 1 16 16 GLU H H 1 7.775913216 0.0004806014801 . . . . . . . 16 GLU H . 53282 1 71 . 1 . 1 16 16 GLU C C 13 177.3591677 0 . . . . . . . 16 GLU C . 53282 1 72 . 1 . 1 16 16 GLU CA C 13 56.78317266 0 . . . . . . . 16 GLU CA . 53282 1 73 . 1 . 1 16 16 GLU CB C 13 27.21895879 0 . . . . . . . 16 GLU CB . 53282 1 74 . 1 . 1 16 16 GLU N N 15 120.3402098 0.007307293952 . . . . . . . 16 GLU N . 53282 1 75 . 1 . 1 17 17 ILE H H 1 8.345954189 0.0007192914575 . . . . . . . 17 ILE H . 53282 1 76 . 1 . 1 17 17 ILE C C 13 174.4505671 0 . . . . . . . 17 ILE C . 53282 1 77 . 1 . 1 17 17 ILE CA C 13 63.80934764 0 . . . . . . . 17 ILE CA . 53282 1 78 . 1 . 1 17 17 ILE CB C 13 35.57132173 0 . . . . . . . 17 ILE CB . 53282 1 79 . 1 . 1 17 17 ILE N N 15 121.920735 0.0000019 . . . . . . . 17 ILE N . 53282 1 80 . 1 . 1 18 18 LYS H H 1 8.079290087 0.0006288523014 . . . . . . . 18 LYS H . 53282 1 81 . 1 . 1 18 18 LYS C C 13 176.3233493 0 . . . . . . . 18 LYS C . 53282 1 82 . 1 . 1 18 18 LYS CA C 13 58.09045269 0 . . . . . . . 18 LYS CA . 53282 1 83 . 1 . 1 18 18 LYS CB C 13 29.89613764 0 . . . . . . . 18 LYS CB . 53282 1 84 . 1 . 1 18 18 LYS N N 15 119.4814641 0.009586787431 . . . . . . . 18 LYS N . 53282 1 85 . 1 . 1 19 19 LYS H H 1 8.172808941 0.0003599897514 . . . . . . . 19 LYS H . 53282 1 86 . 1 . 1 19 19 LYS C C 13 176.4167231 0 . . . . . . . 19 LYS C . 53282 1 87 . 1 . 1 19 19 LYS CA C 13 57.26124937 0 . . . . . . . 19 LYS CA . 53282 1 88 . 1 . 1 19 19 LYS CB C 13 30.11658894 0 . . . . . . . 19 LYS CB . 53282 1 89 . 1 . 1 19 19 LYS N N 15 119.185561 0.008491333816 . . . . . . . 19 LYS N . 53282 1 90 . 1 . 1 20 20 ALA H H 1 8.034678238 0.0009603828053 . . . . . . . 20 ALA H . 53282 1 91 . 1 . 1 20 20 ALA C C 13 177.3416347 0 . . . . . . . 20 ALA C . 53282 1 92 . 1 . 1 20 20 ALA CA C 13 52.45398133 0 . . . . . . . 20 ALA CA . 53282 1 93 . 1 . 1 20 20 ALA CB C 13 16.42197586 0 . . . . . . . 20 ALA CB . 53282 1 94 . 1 . 1 20 20 ALA N N 15 123.0267897 0.01179717209 . . . . . . . 20 ALA N . 53282 1 95 . 1 . 1 21 21 TYR H H 1 8.291209694 0.0006151152327 . . . . . . . 21 TYR H . 53282 1 96 . 1 . 1 21 21 TYR C C 13 173.1104192 0 . . . . . . . 21 TYR C . 53282 1 97 . 1 . 1 21 21 TYR CA C 13 58.1392029 0 . . . . . . . 21 TYR CA . 53282 1 98 . 1 . 1 21 21 TYR CB C 13 35.79639963 0 . . . . . . . 21 TYR CB . 53282 1 99 . 1 . 1 21 21 TYR N N 15 117.6111412 0.007912179987 . . . . . . . 21 TYR N . 53282 1 100 . 1 . 1 22 22 ARG H H 1 7.86091416 0.0004893059248 . . . . . . . 22 ARG H . 53282 1 101 . 1 . 1 22 22 ARG C C 13 176.0621395 0 . . . . . . . 22 ARG C . 53282 1 102 . 1 . 1 22 22 ARG CA C 13 56.57612767 0 . . . . . . . 22 ARG CA . 53282 1 103 . 1 . 1 22 22 ARG CB C 13 26.90333144 0 . . . . . . . 22 ARG CB . 53282 1 104 . 1 . 1 22 22 ARG N N 15 117.6453658 0.009302498003 . . . . . . . 22 ARG N . 53282 1 105 . 1 . 1 23 23 LYS H H 1 7.478400182 0.001088073666 . . . . . . . 23 LYS H . 53282 1 106 . 1 . 1 23 23 LYS C C 13 176.5123132 0 . . . . . . . 23 LYS C . 53282 1 107 . 1 . 1 23 23 LYS CA C 13 56.59324754 0 . . . . . . . 23 LYS CA . 53282 1 108 . 1 . 1 23 23 LYS CB C 13 30.24224193 0 . . . . . . . 23 LYS CB . 53282 1 109 . 1 . 1 23 23 LYS N N 15 116.5301256 0.007165814385 . . . . . . . 23 LYS N . 53282 1 110 . 1 . 1 24 24 ARG H H 1 8.066206062 0.0009914948784 . . . . . . . 24 ARG H . 53282 1 111 . 1 . 1 24 24 ARG C C 13 175.1671456 0 . . . . . . . 24 ARG C . 53282 1 112 . 1 . 1 24 24 ARG CA C 13 55.6964753 0 . . . . . . . 24 ARG CA . 53282 1 113 . 1 . 1 24 24 ARG CB C 13 27.53884417 0 . . . . . . . 24 ARG CB . 53282 1 114 . 1 . 1 24 24 ARG N N 15 118.6041977 0.01487848326 . . . . . . . 24 ARG N . 53282 1 115 . 1 . 1 25 25 ALA H H 1 8.924455754 0.001724600821 . . . . . . . 25 ALA H . 53282 1 116 . 1 . 1 25 25 ALA C C 13 176.9765563 0 . . . . . . . 25 ALA C . 53282 1 117 . 1 . 1 25 25 ALA CA C 13 52.73555675 0 . . . . . . . 25 ALA CA . 53282 1 118 . 1 . 1 25 25 ALA CB C 13 14.32993251 0 . . . . . . . 25 ALA CB . 53282 1 119 . 1 . 1 25 25 ALA N N 15 122.2697152 0.004720930806 . . . . . . . 25 ALA N . 53282 1 120 . 1 . 1 26 26 LEU H H 1 7.058067725 0.002046022845 . . . . . . . 26 LEU H . 53282 1 121 . 1 . 1 26 26 LEU C C 13 176.9258869 0 . . . . . . . 26 LEU C . 53282 1 122 . 1 . 1 26 26 LEU CA C 13 54.84149732 0 . . . . . . . 26 LEU CA . 53282 1 123 . 1 . 1 26 26 LEU CB C 13 39.32771258 0 . . . . . . . 26 LEU CB . 53282 1 124 . 1 . 1 26 26 LEU N N 15 114.5675998 0.01052068125 . . . . . . . 26 LEU N . 53282 1 125 . 1 . 1 27 27 MET H H 1 7.235932555 0.001487351542 . . . . . . . 27 MET H . 53282 1 126 . 1 . 1 27 27 MET C C 13 175.2353446 0 . . . . . . . 27 MET C . 53282 1 127 . 1 . 1 27 27 MET CA C 13 55.38700665 0 . . . . . . . 27 MET CA . 53282 1 128 . 1 . 1 27 27 MET CB C 13 30.04111288 0 . . . . . . . 27 MET CB . 53282 1 129 . 1 . 1 27 27 MET N N 15 115.3883183 0.01049920486 . . . . . . . 27 MET N . 53282 1 130 . 1 . 1 28 28 HIS H H 1 7.293020964 0.001592693341 . . . . . . . 28 HIS H . 53282 1 131 . 1 . 1 28 28 HIS C C 13 169.1601678 0 . . . . . . . 28 HIS C . 53282 1 132 . 1 . 1 28 28 HIS CA C 13 51.72898532 0 . . . . . . . 28 HIS CA . 53282 1 133 . 1 . 1 28 28 HIS CB C 13 27.42743454 0 . . . . . . . 28 HIS CB . 53282 1 134 . 1 . 1 28 28 HIS N N 15 114.9715821 0.01466339671 . . . . . . . 28 HIS N . 53282 1 135 . 1 . 1 29 29 HIS H H 1 7.273424694 0.002151765565 . . . . . . . 29 HIS H . 53282 1 136 . 1 . 1 29 29 HIS C C 13 171.8653018 0 . . . . . . . 29 HIS C . 53282 1 137 . 1 . 1 29 29 HIS CA C 13 53.65704626 0 . . . . . . . 29 HIS CA . 53282 1 138 . 1 . 1 29 29 HIS CB C 13 28.90766018 0 . . . . . . . 29 HIS CB . 53282 1 139 . 1 . 1 29 29 HIS N N 15 122.9064967 0.01359371913 . . . . . . . 29 HIS N . 53282 1 140 . 1 . 1 31 31 ASP H H 1 10.5535235 0 . . . . . . . 31 ASP H . 53282 1 141 . 1 . 1 31 31 ASP N N 15 121.277496 0 . . . . . . . 31 ASP N . 53282 1 142 . 1 . 1 32 32 ARG H H 1 7.792600878 0.002638593615 . . . . . . . 32 ARG H . 53282 1 143 . 1 . 1 32 32 ARG C C 13 174.1433585 0 . . . . . . . 32 ARG C . 53282 1 144 . 1 . 1 32 32 ARG CA C 13 54.00710391 0 . . . . . . . 32 ARG CA . 53282 1 145 . 1 . 1 32 32 ARG CB C 13 27.24625483 0 . . . . . . . 32 ARG CB . 53282 1 146 . 1 . 1 32 32 ARG N N 15 118.0075316 0.01450306913 . . . . . . . 32 ARG N . 53282 1 147 . 1 . 1 33 33 HIS H H 1 7.071468408 0.00514446091 . . . . . . . 33 HIS H . 53282 1 148 . 1 . 1 33 33 HIS C C 13 172.799756 0 . . . . . . . 33 HIS C . 53282 1 149 . 1 . 1 33 33 HIS CA C 13 52.84305805 0 . . . . . . . 33 HIS CA . 53282 1 150 . 1 . 1 33 33 HIS CB C 13 28.68874889 0 . . . . . . . 33 HIS CB . 53282 1 151 . 1 . 1 33 33 HIS N N 15 115.8697604 0.01901910894 . . . . . . . 33 HIS N . 53282 1 152 . 1 . 1 34 34 SER H H 1 7.295582917 0.001728913835 . . . . . . . 34 SER H . 53282 1 153 . 1 . 1 34 34 SER CA C 13 57.92378814 0 . . . . . . . 34 SER CA . 53282 1 154 . 1 . 1 34 34 SER CB C 13 60.3208023 0 . . . . . . . 34 SER CB . 53282 1 155 . 1 . 1 34 34 SER N N 15 115.6040686 0.008156183496 . . . . . . . 34 SER N . 53282 1 156 . 1 . 1 35 35 GLY H H 1 8.582748879 0.001293668877 . . . . . . . 35 GLY H . 53282 1 157 . 1 . 1 35 35 GLY C C 13 171.4908246 0 . . . . . . . 35 GLY C . 53282 1 158 . 1 . 1 35 35 GLY CA C 13 41.94582467 0 . . . . . . . 35 GLY CA . 53282 1 159 . 1 . 1 35 35 GLY N N 15 109.9160218 0.007430184623 . . . . . . . 35 GLY N . 53282 1 160 . 1 . 1 36 36 ALA H H 1 7.571562602 0.0008477974802 . . . . . . . 36 ALA H . 53282 1 161 . 1 . 1 36 36 ALA C C 13 174.2153717 0 . . . . . . . 36 ALA C . 53282 1 162 . 1 . 1 36 36 ALA CA C 13 48.40328935 0 . . . . . . . 36 ALA CA . 53282 1 163 . 1 . 1 36 36 ALA CB C 13 17.83440829 0 . . . . . . . 36 ALA CB . 53282 1 164 . 1 . 1 36 36 ALA N N 15 123.5468115 0.004167522937 . . . . . . . 36 ALA N . 53282 1 165 . 1 . 1 37 37 SER H H 1 8.504087515 0.001024229088 . . . . . . . 37 SER H . 53282 1 166 . 1 . 1 37 37 SER C C 13 171.9336104 0 . . . . . . . 37 SER C . 53282 1 167 . 1 . 1 37 37 SER CA C 13 55.24792357 0 . . . . . . . 37 SER CA . 53282 1 168 . 1 . 1 37 37 SER CB C 13 61.81662431 0 . . . . . . . 37 SER CB . 53282 1 169 . 1 . 1 37 37 SER N N 15 115.5138051 0.008059603379 . . . . . . . 37 SER N . 53282 1 170 . 1 . 1 38 38 ALA H H 1 8.868939712 0.001109136171 . . . . . . . 38 ALA H . 53282 1 171 . 1 . 1 38 38 ALA C C 13 177.5337384 0 . . . . . . . 38 ALA C . 53282 1 172 . 1 . 1 38 38 ALA CA C 13 52.76335705 0 . . . . . . . 38 ALA CA . 53282 1 173 . 1 . 1 38 38 ALA CB C 13 15.48389793 0 . . . . . . . 38 ALA CB . 53282 1 174 . 1 . 1 38 38 ALA N N 15 124.4616339 0.004143436695 . . . . . . . 38 ALA N . 53282 1 175 . 1 . 1 39 39 GLU H H 1 8.641173943 0.00112809663 . . . . . . . 39 GLU H . 53282 1 176 . 1 . 1 39 39 GLU C C 13 176.6508244 0 . . . . . . . 39 GLU C . 53282 1 177 . 1 . 1 39 39 GLU CA C 13 57.37279479 0 . . . . . . . 39 GLU CA . 53282 1 178 . 1 . 1 39 39 GLU CB C 13 26.34852352 0 . . . . . . . 39 GLU CB . 53282 1 179 . 1 . 1 39 39 GLU N N 15 116.7150074 0.009580787328 . . . . . . . 39 GLU N . 53282 1 180 . 1 . 1 40 40 VAL H H 1 7.472560403 0.001111576578 . . . . . . . 40 VAL H . 53282 1 181 . 1 . 1 40 40 VAL C C 13 175.4317679 0 . . . . . . . 40 VAL C . 53282 1 182 . 1 . 1 40 40 VAL CA C 13 63.49005298 0 . . . . . . . 40 VAL CA . 53282 1 183 . 1 . 1 40 40 VAL CB C 13 29.00568537 0 . . . . . . . 40 VAL CB . 53282 1 184 . 1 . 1 40 40 VAL N N 15 122.6060319 0.0175230057 . . . . . . . 40 VAL N . 53282 1 185 . 1 . 1 41 41 GLN H H 1 8.514899198 0.002395528328 . . . . . . . 41 GLN H . 53282 1 186 . 1 . 1 41 41 GLN C C 13 176.7661438 0 . . . . . . . 41 GLN C . 53282 1 187 . 1 . 1 41 41 GLN CA C 13 57.89963878 0 . . . . . . . 41 GLN CA . 53282 1 188 . 1 . 1 41 41 GLN CB C 13 25.72128248 0 . . . . . . . 41 GLN CB . 53282 1 189 . 1 . 1 41 41 GLN N N 15 118.08185 0.01452271043 . . . . . . . 41 GLN N . 53282 1 190 . 1 . 1 42 42 LYS H H 1 8.003608388 0.0008024111613 . . . . . . . 42 LYS H . 53282 1 191 . 1 . 1 42 42 LYS C C 13 176.4103779 0 . . . . . . . 42 LYS C . 53282 1 192 . 1 . 1 42 42 LYS CA C 13 56.23482716 0 . . . . . . . 42 LYS CA . 53282 1 193 . 1 . 1 42 42 LYS CB C 13 29.5516456 0 . . . . . . . 42 LYS CB . 53282 1 194 . 1 . 1 42 42 LYS N N 15 118.6744872 0.003502988696 . . . . . . . 42 LYS N . 53282 1 195 . 1 . 1 43 43 GLU H H 1 7.676013828 0.002330672844 . . . . . . . 43 GLU H . 53282 1 196 . 1 . 1 43 43 GLU C C 13 176.761132 0 . . . . . . . 43 GLU C . 53282 1 197 . 1 . 1 43 43 GLU CA C 13 56.38128993 0 . . . . . . . 43 GLU CA . 53282 1 198 . 1 . 1 43 43 GLU CB C 13 26.7390335 0 . . . . . . . 43 GLU CB . 53282 1 199 . 1 . 1 43 43 GLU N N 15 121.6892485 0.01070428812 . . . . . . . 43 GLU N . 53282 1 200 . 1 . 1 44 44 GLU H H 1 8.537103704 0.0007091248031 . . . . . . . 44 GLU H . 53282 1 201 . 1 . 1 44 44 GLU C C 13 175.3836176 0 . . . . . . . 44 GLU C . 53282 1 202 . 1 . 1 44 44 GLU CA C 13 56.50653484 0 . . . . . . . 44 GLU CA . 53282 1 203 . 1 . 1 44 44 GLU CB C 13 26.27866425 0 . . . . . . . 44 GLU CB . 53282 1 204 . 1 . 1 44 44 GLU N N 15 119.5048852 0.008575290546 . . . . . . . 44 GLU N . 53282 1 205 . 1 . 1 45 45 GLU H H 1 7.982063398 0.0009390228825 . . . . . . . 45 GLU H . 53282 1 206 . 1 . 1 45 45 GLU C C 13 176.5147033 0 . . . . . . . 45 GLU C . 53282 1 207 . 1 . 1 45 45 GLU CA C 13 56.65956096 0 . . . . . . . 45 GLU CA . 53282 1 208 . 1 . 1 45 45 GLU CB C 13 26.79587534 0 . . . . . . . 45 GLU CB . 53282 1 209 . 1 . 1 45 45 GLU N N 15 120.4290265 0.0000019 . . . . . . . 45 GLU N . 53282 1 210 . 1 . 1 46 46 LYS H H 1 7.489044395 0.001220678008 . . . . . . . 46 LYS H . 53282 1 211 . 1 . 1 46 46 LYS C C 13 176.7712158 0 . . . . . . . 46 LYS C . 53282 1 212 . 1 . 1 46 46 LYS CA C 13 57.09107536 0 . . . . . . . 46 LYS CA . 53282 1 213 . 1 . 1 46 46 LYS CB C 13 29.38349115 0 . . . . . . . 46 LYS CB . 53282 1 214 . 1 . 1 46 46 LYS N N 15 120.3077779 0.01063677373 . . . . . . . 46 LYS N . 53282 1 215 . 1 . 1 47 47 LYS H H 1 7.723884622 0.001118700093 . . . . . . . 47 LYS H . 53282 1 216 . 1 . 1 47 47 LYS C C 13 176.284626 0 . . . . . . . 47 LYS C . 53282 1 217 . 1 . 1 47 47 LYS CA C 13 56.57872322 0 . . . . . . . 47 LYS CA . 53282 1 218 . 1 . 1 47 47 LYS CB C 13 29.11097876 0 . . . . . . . 47 LYS CB . 53282 1 219 . 1 . 1 47 47 LYS N N 15 119.4177232 0.008089158647 . . . . . . . 47 LYS N . 53282 1 220 . 1 . 1 48 48 PHE H H 1 9.090363755 0.002791005796 . . . . . . . 48 PHE H . 53282 1 221 . 1 . 1 48 48 PHE C C 13 175.9839425 0 . . . . . . . 48 PHE C . 53282 1 222 . 1 . 1 48 48 PHE CA C 13 59.45863155 0 . . . . . . . 48 PHE CA . 53282 1 223 . 1 . 1 48 48 PHE CB C 13 36.44721487 0 . . . . . . . 48 PHE CB . 53282 1 224 . 1 . 1 48 48 PHE N N 15 121.0712088 0.02610255312 . . . . . . . 48 PHE N . 53282 1 225 . 1 . 1 49 49 LYS H H 1 8.367195328 0.001813820569 . . . . . . . 49 LYS H . 53282 1 226 . 1 . 1 49 49 LYS C C 13 176.8604663 0 . . . . . . . 49 LYS C . 53282 1 227 . 1 . 1 49 49 LYS CA C 13 56.81512109 0 . . . . . . . 49 LYS CA . 53282 1 228 . 1 . 1 49 49 LYS CB C 13 29.64813482 0 . . . . . . . 49 LYS CB . 53282 1 229 . 1 . 1 49 49 LYS N N 15 120.4249146 0.01487899068 . . . . . . . 49 LYS N . 53282 1 230 . 1 . 1 50 50 GLU H H 1 8.051439132 0.001638599384 . . . . . . . 50 GLU H . 53282 1 231 . 1 . 1 50 50 GLU C C 13 176.3189955 0 . . . . . . . 50 GLU C . 53282 1 232 . 1 . 1 50 50 GLU CA C 13 56.8143731 0 . . . . . . . 50 GLU CA . 53282 1 233 . 1 . 1 50 50 GLU CB C 13 26.96976455 0 . . . . . . . 50 GLU CB . 53282 1 234 . 1 . 1 50 50 GLU N N 15 120.4191377 0.004044834428 . . . . . . . 50 GLU N . 53282 1 235 . 1 . 1 51 51 VAL H H 1 7.929503799 0.0008910417185 . . . . . . . 51 VAL H . 53282 1 236 . 1 . 1 51 51 VAL C C 13 174.9761575 0 . . . . . . . 51 VAL C . 53282 1 237 . 1 . 1 51 51 VAL CA C 13 63.60256043 0 . . . . . . . 51 VAL CA . 53282 1 238 . 1 . 1 51 51 VAL CB C 13 28.93911877 0 . . . . . . . 51 VAL CB . 53282 1 239 . 1 . 1 51 51 VAL N N 15 119.0829321 0.03048305484 . . . . . . . 51 VAL N . 53282 1 240 . 1 . 1 52 52 GLY H H 1 7.711005853 0.003955678291 . . . . . . . 52 GLY H . 53282 1 241 . 1 . 1 52 52 GLY C C 13 173.8864471 0 . . . . . . . 52 GLY C . 53282 1 242 . 1 . 1 52 52 GLY CA C 13 45.01671634 0 . . . . . . . 52 GLY CA . 53282 1 243 . 1 . 1 52 52 GLY N N 15 107.2770221 0.01657773609 . . . . . . . 52 GLY N . 53282 1 244 . 1 . 1 53 53 GLU H H 1 8.175938085 0.0006006668184 . . . . . . . 53 GLU H . 53282 1 245 . 1 . 1 53 53 GLU C C 13 174.9068291 0 . . . . . . . 53 GLU C . 53282 1 246 . 1 . 1 53 53 GLU CA C 13 56.63696859 0 . . . . . . . 53 GLU CA . 53282 1 247 . 1 . 1 53 53 GLU CB C 13 26.8837121 0 . . . . . . . 53 GLU CB . 53282 1 248 . 1 . 1 53 53 GLU N N 15 124.7121228 0.00952681492 . . . . . . . 53 GLU N . 53282 1 249 . 1 . 1 54 54 ALA H H 1 7.858618158 0.001111994713 . . . . . . . 54 ALA H . 53282 1 250 . 1 . 1 54 54 ALA C C 13 175.8400418 0 . . . . . . . 54 ALA C . 53282 1 251 . 1 . 1 54 54 ALA CA C 13 51.62958048 0 . . . . . . . 54 ALA CA . 53282 1 252 . 1 . 1 54 54 ALA CB C 13 16.20789737 0 . . . . . . . 54 ALA CB . 53282 1 253 . 1 . 1 54 54 ALA N N 15 119.5452411 0.0175644416 . . . . . . . 54 ALA N . 53282 1 254 . 1 . 1 55 55 PHE H H 1 8.064059386 0.001105554002 . . . . . . . 55 PHE H . 53282 1 255 . 1 . 1 55 55 PHE C C 13 174.8289262 0 . . . . . . . 55 PHE C . 53282 1 256 . 1 . 1 55 55 PHE CA C 13 58.35735397 0 . . . . . . . 55 PHE CA . 53282 1 257 . 1 . 1 55 55 PHE CB C 13 37.49751215 0 . . . . . . . 55 PHE CB . 53282 1 258 . 1 . 1 55 55 PHE N N 15 115.7808943 0.01116107401 . . . . . . . 55 PHE N . 53282 1 259 . 1 . 1 56 56 THR H H 1 8.15500067 0.0004290215137 . . . . . . . 56 THR H . 53282 1 260 . 1 . 1 56 56 THR C C 13 172.1164514 0 . . . . . . . 56 THR C . 53282 1 261 . 1 . 1 56 56 THR CA C 13 64.21498322 0 . . . . . . . 56 THR CA . 53282 1 262 . 1 . 1 56 56 THR CB C 13 65.58763346 0 . . . . . . . 56 THR CB . 53282 1 263 . 1 . 1 56 56 THR N N 15 118.5587431 0.009716715375 . . . . . . . 56 THR N . 53282 1 264 . 1 . 1 57 57 ILE H H 1 6.817254208 0.001608067423 . . . . . . . 57 ILE H . 53282 1 265 . 1 . 1 57 57 ILE C C 13 173.3500235 0 . . . . . . . 57 ILE C . 53282 1 266 . 1 . 1 57 57 ILE CA C 13 59.77719876 0 . . . . . . . 57 ILE CA . 53282 1 267 . 1 . 1 57 57 ILE CB C 13 33.92283718 0 . . . . . . . 57 ILE CB . 53282 1 268 . 1 . 1 57 57 ILE N N 15 118.4117903 0.0000013 . . . . . . . 57 ILE N . 53282 1 269 . 1 . 1 58 58 LEU H H 1 7.800548738 0.001652075938 . . . . . . . 58 LEU H . 53282 1 270 . 1 . 1 58 58 LEU C C 13 179.5244487 0 . . . . . . . 58 LEU C . 53282 1 271 . 1 . 1 58 58 LEU CA C 13 53.98959528 0 . . . . . . . 58 LEU CA . 53282 1 272 . 1 . 1 58 58 LEU CB C 13 40.75616637 0 . . . . . . . 58 LEU CB . 53282 1 273 . 1 . 1 58 58 LEU N N 15 132.3028606 0.01395732777 . . . . . . . 58 LEU N . 53282 1 274 . 1 . 1 59 59 SER H H 1 7.526147764 0.000463976246 . . . . . . . 59 SER H . 53282 1 275 . 1 . 1 59 59 SER C C 13 170.4415295 0 . . . . . . . 59 SER C . 53282 1 276 . 1 . 1 59 59 SER CA C 13 55.97843087 0 . . . . . . . 59 SER CA . 53282 1 277 . 1 . 1 59 59 SER CB C 13 61.23455366 0 . . . . . . . 59 SER CB . 53282 1 278 . 1 . 1 59 59 SER N N 15 109.5620493 0.01081851381 . . . . . . . 59 SER N . 53282 1 279 . 1 . 1 60 60 ASP H H 1 6.832022556 0.001779371238 . . . . . . . 60 ASP H . 53282 1 280 . 1 . 1 60 60 ASP C C 13 171.2041706 0 . . . . . . . 60 ASP C . 53282 1 281 . 1 . 1 60 60 ASP CA C 13 47.46572827 0 . . . . . . . 60 ASP CA . 53282 1 282 . 1 . 1 60 60 ASP CB C 13 40.30676606 0 . . . . . . . 60 ASP CB . 53282 1 283 . 1 . 1 60 60 ASP N N 15 124.3589643 0.027320572 . . . . . . . 60 ASP N . 53282 1 284 . 1 . 1 61 61 PRO C C 13 176.4982632 0.0000977 . . . . . . . 61 PRO C . 53282 1 285 . 1 . 1 61 61 PRO CA C 13 62.70807056 0.03566015384 . . . . . . . 61 PRO CA . 53282 1 286 . 1 . 1 61 61 PRO CB C 13 29.66324781 0 . . . . . . . 61 PRO CB . 53282 1 287 . 1 . 1 62 62 LYS H H 1 7.87846188 0.001065549632 . . . . . . . 62 LYS H . 53282 1 288 . 1 . 1 62 62 LYS C C 13 176.9825999 0 . . . . . . . 62 LYS C . 53282 1 289 . 1 . 1 62 62 LYS CA C 13 56.39942113 0 . . . . . . . 62 LYS CA . 53282 1 290 . 1 . 1 62 62 LYS CB C 13 29.43546896 0 . . . . . . . 62 LYS CB . 53282 1 291 . 1 . 1 62 62 LYS N N 15 116.7920966 0.01020675559 . . . . . . . 62 LYS N . 53282 1 292 . 1 . 1 63 63 LYS H H 1 7.770938162 0.001046659042 . . . . . . . 63 LYS H . 53282 1 293 . 1 . 1 63 63 LYS C C 13 176.5900457 0 . . . . . . . 63 LYS C . 53282 1 294 . 1 . 1 63 63 LYS CA C 13 56.61404546 0 . . . . . . . 63 LYS CA . 53282 1 295 . 1 . 1 63 63 LYS CB C 13 30.15824672 0 . . . . . . . 63 LYS CB . 53282 1 296 . 1 . 1 63 63 LYS N N 15 120.6900258 0.004558283905 . . . . . . . 63 LYS N . 53282 1 297 . 1 . 1 64 64 LYS H H 1 9.237009451 0.0007631724345 . . . . . . . 64 LYS H . 53282 1 298 . 1 . 1 64 64 LYS C C 13 175.2839836 0 . . . . . . . 64 LYS C . 53282 1 299 . 1 . 1 64 64 LYS CA C 13 57.8131639 0 . . . . . . . 64 LYS CA . 53282 1 300 . 1 . 1 64 64 LYS CB C 13 30.29196687 0 . . . . . . . 64 LYS CB . 53282 1 301 . 1 . 1 64 64 LYS N N 15 124.2408952 0.01108590496 . . . . . . . 64 LYS N . 53282 1 302 . 1 . 1 65 65 THR H H 1 7.903676101 0.001050176944 . . . . . . . 65 THR H . 53282 1 303 . 1 . 1 65 65 THR C C 13 174.3551189 0 . . . . . . . 65 THR C . 53282 1 304 . 1 . 1 65 65 THR CA C 13 63.65264341 0 . . . . . . . 65 THR CA . 53282 1 305 . 1 . 1 65 65 THR CB C 13 66.02252465 0 . . . . . . . 65 THR CB . 53282 1 306 . 1 . 1 65 65 THR N N 15 113.7507001 0.01097455959 . . . . . . . 65 THR N . 53282 1 307 . 1 . 1 66 66 ARG H H 1 7.289965936 0.001620492085 . . . . . . . 66 ARG H . 53282 1 308 . 1 . 1 66 66 ARG C C 13 175.7751272 0 . . . . . . . 66 ARG C . 53282 1 309 . 1 . 1 66 66 ARG CA C 13 56.40981133 0 . . . . . . . 66 ARG CA . 53282 1 310 . 1 . 1 66 66 ARG CB C 13 27.24648014 0 . . . . . . . 66 ARG CB . 53282 1 311 . 1 . 1 66 66 ARG N N 15 121.7057984 0.02095220433 . . . . . . . 66 ARG N . 53282 1 312 . 1 . 1 67 67 TYR H H 1 8.30746297 0.001061414056 . . . . . . . 67 TYR H . 53282 1 313 . 1 . 1 67 67 TYR C C 13 176.0302829 0 . . . . . . . 67 TYR C . 53282 1 314 . 1 . 1 67 67 TYR CA C 13 58.49795335 0 . . . . . . . 67 TYR CA . 53282 1 315 . 1 . 1 67 67 TYR CB C 13 35.90270916 0 . . . . . . . 67 TYR CB . 53282 1 316 . 1 . 1 67 67 TYR N N 15 122.3981295 0.01030721848 . . . . . . . 67 TYR N . 53282 1 317 . 1 . 1 68 68 ASP H H 1 9.10230935 0.002996071761 . . . . . . . 68 ASP H . 53282 1 318 . 1 . 1 68 68 ASP C C 13 175.1443472 0 . . . . . . . 68 ASP C . 53282 1 319 . 1 . 1 68 68 ASP CA C 13 53.70279775 0 . . . . . . . 68 ASP CA . 53282 1 320 . 1 . 1 68 68 ASP CB C 13 37.67206058 0 . . . . . . . 68 ASP CB . 53282 1 321 . 1 . 1 68 68 ASP N N 15 120.3682518 0.006201562156 . . . . . . . 68 ASP N . 53282 1 322 . 1 . 1 69 69 SER H H 1 7.783679194 0.001299294747 . . . . . . . 69 SER H . 53282 1 323 . 1 . 1 69 69 SER C C 13 172.3158185 0 . . . . . . . 69 SER C . 53282 1 324 . 1 . 1 69 69 SER CA C 13 56.87658217 0 . . . . . . . 69 SER CA . 53282 1 325 . 1 . 1 69 69 SER CB C 13 61.26968798 0 . . . . . . . 69 SER CB . 53282 1 326 . 1 . 1 69 69 SER N N 15 113.9361267 0.01551948613 . . . . . . . 69 SER N . 53282 1 327 . 1 . 1 70 70 GLY H H 1 7.746068942 0.001575744144 . . . . . . . 70 GLY H . 53282 1 328 . 1 . 1 70 70 GLY C C 13 170.9032183 0 . . . . . . . 70 GLY C . 53282 1 329 . 1 . 1 70 70 GLY CA C 13 43.05555343 0 . . . . . . . 70 GLY CA . 53282 1 330 . 1 . 1 70 70 GLY N N 15 110.11614 0.00986098081 . . . . . . . 70 GLY N . 53282 1 331 . 1 . 1 71 71 GLN H H 1 7.592416953 0.001188440052 . . . . . . . 71 GLN H . 53282 1 332 . 1 . 1 71 71 GLN C C 13 177.6994309 0 . . . . . . . 71 GLN C . 53282 1 333 . 1 . 1 71 71 GLN CA C 13 54.09021442 0 . . . . . . . 71 GLN CA . 53282 1 334 . 1 . 1 71 71 GLN CB C 13 27.9144459 0 . . . . . . . 71 GLN CB . 53282 1 335 . 1 . 1 71 71 GLN N N 15 124.3687063 0.0000019 . . . . . . . 71 GLN N . 53282 1 stop_ save_