data_52751 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52751 _Entry.Title ; Aminopeptidase I N-terminal 45 residue ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-12-10 _Entry.Accession_date 2024-12-10 _Entry.Last_release_date 2024-12-11 _Entry.Original_release_date 2024-12-11 _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 Hiroyuki Kumeta . . . 0000-0003-3713-2122 52751 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52751 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 138 52751 '15N chemical shifts' 47 52751 '1H chemical shifts' 47 52751 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 . . 2024-12-17 . original BMRB . 52751 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52751 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 27320913 _Citation.DOI 10.1016/j.celrep.2016.05.066 _Citation.Full_citation . _Citation.Title ; Structural Basis for Receptor-Mediated Selective Autophagy of Aminopeptidase I Aggregates. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _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 19 _Citation.Page_last 27 _Citation.Year 2016 _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 Akinori Yamasaki A. . . . 52751 1 2 Yasunori Watanabe Y. . . . 52751 1 3 Wakana Adachi W. . . . 52751 1 4 Kuninori Suzuki K. . . . 52751 1 5 Kazuaki Matoba K. . . . 52751 1 6 Hiromi Kirisako H. . . . 52751 1 7 Hiroyuki Kumeta H. . . . 52751 1 8 Hitoshi Nakatogawa H. . . . 52751 1 9 Yoshinori Ohsumi Y. . . . 52751 1 10 Fuyuhiko Inagaki F. . . . 52751 1 11 Nobuo Noda N. N. . . 52751 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52751 _Assembly.ID 1 _Assembly.Name Ape1N45 _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 Ape1N45 1 $entity_1 . . yes native no no . . . 52751 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52751 _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 ; GPHMEEQREILEQLKKTLQM LTVEPSKNNQIANEEKEKKE NENSWCIL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 are cloning artifacts' _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 48 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _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 -2 GLY . 52751 1 2 -1 PRO . 52751 1 3 0 HIS . 52751 1 4 1 MET . 52751 1 5 2 GLU . 52751 1 6 3 GLU . 52751 1 7 4 GLN . 52751 1 8 5 ARG . 52751 1 9 6 GLU . 52751 1 10 7 ILE . 52751 1 11 8 LEU . 52751 1 12 9 GLU . 52751 1 13 10 GLN . 52751 1 14 11 LEU . 52751 1 15 12 LYS . 52751 1 16 13 LYS . 52751 1 17 14 THR . 52751 1 18 15 LEU . 52751 1 19 16 GLN . 52751 1 20 17 MET . 52751 1 21 18 LEU . 52751 1 22 19 THR . 52751 1 23 20 VAL . 52751 1 24 21 GLU . 52751 1 25 22 PRO . 52751 1 26 23 SER . 52751 1 27 24 LYS . 52751 1 28 25 ASN . 52751 1 29 26 ASN . 52751 1 30 27 GLN . 52751 1 31 28 ILE . 52751 1 32 29 ALA . 52751 1 33 30 ASN . 52751 1 34 31 GLU . 52751 1 35 32 GLU . 52751 1 36 33 LYS . 52751 1 37 34 GLU . 52751 1 38 35 LYS . 52751 1 39 36 LYS . 52751 1 40 37 GLU . 52751 1 41 38 ASN . 52751 1 42 39 GLU . 52751 1 43 40 ASN . 52751 1 44 41 SER . 52751 1 45 42 TRP . 52751 1 46 43 CYS . 52751 1 47 44 ILE . 52751 1 48 45 LEU . 52751 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 . GLY 1 1 52751 1 . PRO 2 2 52751 1 . HIS 3 3 52751 1 . MET 4 4 52751 1 . GLU 5 5 52751 1 . GLU 6 6 52751 1 . GLN 7 7 52751 1 . ARG 8 8 52751 1 . GLU 9 9 52751 1 . ILE 10 10 52751 1 . LEU 11 11 52751 1 . GLU 12 12 52751 1 . GLN 13 13 52751 1 . LEU 14 14 52751 1 . LYS 15 15 52751 1 . LYS 16 16 52751 1 . THR 17 17 52751 1 . LEU 18 18 52751 1 . GLN 19 19 52751 1 . MET 20 20 52751 1 . LEU 21 21 52751 1 . THR 22 22 52751 1 . VAL 23 23 52751 1 . GLU 24 24 52751 1 . PRO 25 25 52751 1 . SER 26 26 52751 1 . LYS 27 27 52751 1 . ASN 28 28 52751 1 . ASN 29 29 52751 1 . GLN 30 30 52751 1 . ILE 31 31 52751 1 . ALA 32 32 52751 1 . ASN 33 33 52751 1 . GLU 34 34 52751 1 . GLU 35 35 52751 1 . LYS 36 36 52751 1 . GLU 37 37 52751 1 . LYS 38 38 52751 1 . LYS 39 39 52751 1 . GLU 40 40 52751 1 . ASN 41 41 52751 1 . GLU 42 42 52751 1 . ASN 43 43 52751 1 . SER 44 44 52751 1 . TRP 45 45 52751 1 . CYS 46 46 52751 1 . ILE 47 47 52751 1 . LEU 48 48 52751 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 52751 _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 . . . . . . . . . . . . . 52751 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 52751 _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 BL21 DE3 . plasmid . . pGEX6p . . 'N-terminal GPM residues as a cloning artifact' 52751 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52751 _Sample.ID 1 _Sample.Name CN-labeled _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 Ape1N45 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 25 . . uM . . . . 52751 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52751 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52751 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 52751 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 52751 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _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' 0.125 . M 52751 1 pH 7.0 . pH 52751 1 pressure 1 . atm 52751 1 temperature 298 . K 52751 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52751 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 2012.090.12.09 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52751 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52751 _Software.ID 2 _Software.Type . _Software.Name VNMR _Software.Version 6.3C _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52751 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52751 _Software.ID 3 _Software.Type . _Software.Name RNMRTK _Software.Version 3.2.5-b9125 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52751 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52751 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version 3.113 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52751 4 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 52751 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600 MHz NMR' _NMR_spectrometer.Details 'TR5 probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity INOVA' _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 52751 _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 . . . . . . . . . . . . . . . . . 52751 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52751 1 3 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52751 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52751 1 5 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52751 1 6 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52751 1 7 '3D HN(CA)HA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52751 1 8 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52751 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 52751 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref1 _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 . . . . . 52751 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 52751 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52751 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 52751 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ass1 _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' . . . 52751 1 2 '3D HNCO' . . . 52751 1 3 '3D HN(CO)CA' . . . 52751 1 4 '3D HNCA' . . . 52751 1 5 '3D CBCA(CO)NH' . . . 52751 1 6 '3D HNCACB' . . . 52751 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 4 $software_4 . . 52751 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 PRO C C 13 176.652 0.000 . . . . . . . -1 P C . 52751 1 2 . 1 . 1 2 2 PRO CA C 13 63.036 0.000 . . . . . . . -1 P CA . 52751 1 3 . 1 . 1 2 2 PRO CB C 13 32.393 0.000 . . . . . . . -1 P CB . 52751 1 4 . 1 . 1 3 3 HIS H H 1 8.714 0.000 . . . . . . . 0 H HN . 52751 1 5 . 1 . 1 3 3 HIS C C 13 174.849 0.000 . . . . . . . 0 H C . 52751 1 6 . 1 . 1 3 3 HIS CA C 13 55.784 0.001 . . . . . . . 0 H CA . 52751 1 7 . 1 . 1 3 3 HIS CB C 13 29.239 0.000 . . . . . . . 0 H CB . 52751 1 8 . 1 . 1 3 3 HIS N N 15 119.388 0.000 . . . . . . . 0 H N . 52751 1 9 . 1 . 1 4 4 MET H H 1 8.479 0.000 . . . . . . . 1 M HN . 52751 1 10 . 1 . 1 4 4 MET C C 13 176.299 0.000 . . . . . . . 1 M C . 52751 1 11 . 1 . 1 4 4 MET CA C 13 55.928 0.014 . . . . . . . 1 M CA . 52751 1 12 . 1 . 1 4 4 MET CB C 13 32.757 0.179 . . . . . . . 1 M CB . 52751 1 13 . 1 . 1 4 4 MET N N 15 122.350 0.000 . . . . . . . 1 M N . 52751 1 14 . 1 . 1 5 5 GLU H H 1 8.669 0.000 . . . . . . . 2 E HN . 52751 1 15 . 1 . 1 5 5 GLU C C 13 176.813 0.000 . . . . . . . 2 E C . 52751 1 16 . 1 . 1 5 5 GLU CA C 13 57.194 0.010 . . . . . . . 2 E CA . 52751 1 17 . 1 . 1 5 5 GLU CB C 13 30.000 0.013 . . . . . . . 2 E CB . 52751 1 18 . 1 . 1 5 5 GLU N N 15 121.877 0.000 . . . . . . . 2 E N . 52751 1 19 . 1 . 1 6 6 GLU H H 1 8.456 0.000 . . . . . . . 3 E HN . 52751 1 20 . 1 . 1 6 6 GLU C C 13 176.948 0.000 . . . . . . . 3 E C . 52751 1 21 . 1 . 1 6 6 GLU CA C 13 57.192 0.007 . . . . . . . 3 E CA . 52751 1 22 . 1 . 1 6 6 GLU CB C 13 30.254 0.018 . . . . . . . 3 E CB . 52751 1 23 . 1 . 1 6 6 GLU N N 15 121.637 0.000 . . . . . . . 3 E N . 52751 1 24 . 1 . 1 7 7 GLN H H 1 8.439 0.000 . . . . . . . 4 Q HN . 52751 1 25 . 1 . 1 7 7 GLN C C 13 176.624 0.000 . . . . . . . 4 Q C . 52751 1 26 . 1 . 1 7 7 GLN CA C 13 56.651 0.053 . . . . . . . 4 Q CA . 52751 1 27 . 1 . 1 7 7 GLN CB C 13 29.005 0.016 . . . . . . . 4 Q CB . 52751 1 28 . 1 . 1 7 7 GLN N N 15 120.676 0.000 . . . . . . . 4 Q N . 52751 1 29 . 1 . 1 8 8 ARG H H 1 8.319 0.000 . . . . . . . 5 R HN . 52751 1 30 . 1 . 1 8 8 ARG HE H 1 7.334 0.000 . . . . . . . 5 R HE . 52751 1 31 . 1 . 1 8 8 ARG C C 13 177.066 0.000 . . . . . . . 5 R C . 52751 1 32 . 1 . 1 8 8 ARG CA C 13 57.679 0.006 . . . . . . . 5 R CA . 52751 1 33 . 1 . 1 8 8 ARG CB C 13 30.492 0.137 . . . . . . . 5 R CB . 52751 1 34 . 1 . 1 8 8 ARG N N 15 121.495 0.000 . . . . . . . 5 R N . 52751 1 35 . 1 . 1 8 8 ARG NE N 15 84.314 0.000 . . . . . . . 5 R NE . 52751 1 36 . 1 . 1 9 9 GLU H H 1 8.401 0.000 . . . . . . . 6 E HN . 52751 1 37 . 1 . 1 9 9 GLU C C 13 177.560 0.000 . . . . . . . 6 E C . 52751 1 38 . 1 . 1 9 9 GLU CA C 13 57.889 0.012 . . . . . . . 6 E CA . 52751 1 39 . 1 . 1 9 9 GLU CB C 13 29.831 0.085 . . . . . . . 6 E CB . 52751 1 40 . 1 . 1 9 9 GLU N N 15 120.368 0.000 . . . . . . . 6 E N . 52751 1 41 . 1 . 1 10 10 ILE H H 1 7.985 0.000 . . . . . . . 7 I HN . 52751 1 42 . 1 . 1 10 10 ILE C C 13 177.352 0.000 . . . . . . . 7 I C . 52751 1 43 . 1 . 1 10 10 ILE CA C 13 62.587 0.000 . . . . . . . 7 I CA . 52751 1 44 . 1 . 1 10 10 ILE CB C 13 38.302 0.106 . . . . . . . 7 I CB . 52751 1 45 . 1 . 1 10 10 ILE N N 15 121.270 0.000 . . . . . . . 7 I N . 52751 1 46 . 1 . 1 11 11 LEU H H 1 8.094 0.000 . . . . . . . 8 L HN . 52751 1 47 . 1 . 1 11 11 LEU C C 13 178.711 0.000 . . . . . . . 8 L C . 52751 1 48 . 1 . 1 11 11 LEU CA C 13 56.689 0.006 . . . . . . . 8 L CA . 52751 1 49 . 1 . 1 11 11 LEU CB C 13 41.819 0.069 . . . . . . . 8 L CB . 52751 1 50 . 1 . 1 11 11 LEU N N 15 123.167 0.000 . . . . . . . 8 L N . 52751 1 51 . 1 . 1 12 12 GLU H H 1 8.279 0.000 . . . . . . . 9 E HN . 52751 1 52 . 1 . 1 12 12 GLU C C 13 177.904 0.000 . . . . . . . 9 E C . 52751 1 53 . 1 . 1 12 12 GLU CA C 13 58.099 0.006 . . . . . . . 9 E CA . 52751 1 54 . 1 . 1 12 12 GLU CB C 13 29.724 0.000 . . . . . . . 9 E CB . 52751 1 55 . 1 . 1 12 12 GLU N N 15 120.075 0.000 . . . . . . . 9 E N . 52751 1 56 . 1 . 1 13 13 GLN H H 1 8.154 0.000 . . . . . . . 10 Q HN . 52751 1 57 . 1 . 1 13 13 GLN C C 13 178.229 0.000 . . . . . . . 10 Q C . 52751 1 58 . 1 . 1 13 13 GLN CA C 13 57.327 0.013 . . . . . . . 10 Q CA . 52751 1 59 . 1 . 1 13 13 GLN CB C 13 28.709 0.043 . . . . . . . 10 Q CB . 52751 1 60 . 1 . 1 13 13 GLN N N 15 119.541 0.000 . . . . . . . 10 Q N . 52751 1 61 . 1 . 1 14 14 LEU H H 1 8.094 0.000 . . . . . . . 11 L HN . 52751 1 62 . 1 . 1 14 14 LEU CA C 13 56.469 0.015 . . . . . . . 11 L CA . 52751 1 63 . 1 . 1 14 14 LEU CB C 13 42.041 0.138 . . . . . . . 11 L CB . 52751 1 64 . 1 . 1 14 14 LEU N N 15 121.560 0.000 . . . . . . . 11 L N . 52751 1 65 . 1 . 1 15 15 LYS H H 1 8.029 0.000 . . . . . . . 12 K HN . 52751 1 66 . 1 . 1 15 15 LYS C C 13 177.559 0.000 . . . . . . . 12 K C . 52751 1 67 . 1 . 1 15 15 LYS CA C 13 57.839 0.015 . . . . . . . 12 K CA . 52751 1 68 . 1 . 1 15 15 LYS CB C 13 32.516 0.000 . . . . . . . 12 K CB . 52751 1 69 . 1 . 1 15 15 LYS N N 15 119.985 0.000 . . . . . . . 12 K N . 52751 1 70 . 1 . 1 16 16 LYS H H 1 8.012 0.000 . . . . . . . 13 K HN . 52751 1 71 . 1 . 1 16 16 LYS C C 13 177.522 0.000 . . . . . . . 13 K C . 52751 1 72 . 1 . 1 16 16 LYS CA C 13 57.481 0.042 . . . . . . . 13 K CA . 52751 1 73 . 1 . 1 16 16 LYS CB C 13 32.812 0.045 . . . . . . . 13 K CB . 52751 1 74 . 1 . 1 16 16 LYS N N 15 120.237 0.000 . . . . . . . 13 K N . 52751 1 75 . 1 . 1 17 17 THR H H 1 8.057 0.000 . . . . . . . 14 T HN . 52751 1 76 . 1 . 1 17 17 THR C C 13 175.117 0.000 . . . . . . . 14 T C . 52751 1 77 . 1 . 1 17 17 THR CA C 13 63.232 0.007 . . . . . . . 14 T CA . 52751 1 78 . 1 . 1 17 17 THR CB C 13 69.535 0.122 . . . . . . . 14 T CB . 52751 1 79 . 1 . 1 17 17 THR N N 15 114.622 0.000 . . . . . . . 14 T N . 52751 1 80 . 1 . 1 18 18 LEU H H 1 8.145 0.000 . . . . . . . 15 L HN . 52751 1 81 . 1 . 1 18 18 LEU C C 13 177.822 0.000 . . . . . . . 15 L C . 52751 1 82 . 1 . 1 18 18 LEU CA C 13 55.992 0.007 . . . . . . . 15 L CA . 52751 1 83 . 1 . 1 18 18 LEU CB C 13 42.005 0.110 . . . . . . . 15 L CB . 52751 1 84 . 1 . 1 18 18 LEU N N 15 122.983 0.000 . . . . . . . 15 L N . 52751 1 85 . 1 . 1 19 19 GLN H H 1 8.172 0.000 . . . . . . . 16 Q HN . 52751 1 86 . 1 . 1 19 19 GLN C C 13 176.215 0.000 . . . . . . . 16 Q C . 52751 1 87 . 1 . 1 19 19 GLN CA C 13 56.490 0.015 . . . . . . . 16 Q CA . 52751 1 88 . 1 . 1 19 19 GLN CB C 13 29.116 0.123 . . . . . . . 16 Q CB . 52751 1 89 . 1 . 1 19 19 GLN N N 15 119.864 0.000 . . . . . . . 16 Q N . 52751 1 90 . 1 . 1 20 20 MET H H 1 8.167 0.000 . . . . . . . 17 M HN . 52751 1 91 . 1 . 1 20 20 MET C C 13 176.178 0.000 . . . . . . . 17 M C . 52751 1 92 . 1 . 1 20 20 MET CA C 13 55.787 0.006 . . . . . . . 17 M CA . 52751 1 93 . 1 . 1 20 20 MET CB C 13 29.207 0.046 . . . . . . . 17 M CB . 52751 1 94 . 1 . 1 20 20 MET N N 15 120.243 0.000 . . . . . . . 17 M N . 52751 1 95 . 1 . 1 21 21 LEU H H 1 8.129 0.000 . . . . . . . 18 L HN . 52751 1 96 . 1 . 1 21 21 LEU C C 13 177.396 0.000 . . . . . . . 18 L C . 52751 1 97 . 1 . 1 21 21 LEU CA C 13 55.329 0.009 . . . . . . . 18 L CA . 52751 1 98 . 1 . 1 21 21 LEU CB C 13 42.479 0.064 . . . . . . . 18 L CB . 52751 1 99 . 1 . 1 21 21 LEU N N 15 122.305 0.000 . . . . . . . 18 L N . 52751 1 100 . 1 . 1 22 22 THR H H 1 8.080 0.000 . . . . . . . 19 T HN . 52751 1 101 . 1 . 1 22 22 THR C C 13 174.154 0.000 . . . . . . . 19 T C . 52751 1 102 . 1 . 1 22 22 THR CA C 13 61.884 0.006 . . . . . . . 19 T CA . 52751 1 103 . 1 . 1 22 22 THR CB C 13 69.849 0.117 . . . . . . . 19 T CB . 52751 1 104 . 1 . 1 22 22 THR N N 15 115.029 0.000 . . . . . . . 19 T N . 52751 1 105 . 1 . 1 23 23 VAL H H 1 8.081 0.000 . . . . . . . 20 V HN . 52751 1 106 . 1 . 1 23 23 VAL C C 13 175.654 0.000 . . . . . . . 20 V C . 52751 1 107 . 1 . 1 23 23 VAL CA C 13 61.880 0.005 . . . . . . . 20 V CA . 52751 1 108 . 1 . 1 23 23 VAL CB C 13 32.955 0.069 . . . . . . . 20 V CB . 52751 1 109 . 1 . 1 23 23 VAL N N 15 122.354 0.000 . . . . . . . 20 V N . 52751 1 110 . 1 . 1 24 24 GLU H H 1 8.496 0.000 . . . . . . . 21 E HN . 52751 1 111 . 1 . 1 24 24 GLU CA C 13 54.334 0.000 . . . . . . . 21 E CA . 52751 1 112 . 1 . 1 24 24 GLU CB C 13 29.892 0.000 . . . . . . . 21 E CB . 52751 1 113 . 1 . 1 24 24 GLU N N 15 126.331 0.000 . . . . . . . 21 E N . 52751 1 114 . 1 . 1 25 25 PRO C C 13 177.082 0.000 . . . . . . . 22 P C . 52751 1 115 . 1 . 1 25 25 PRO CA C 13 63.401 0.000 . . . . . . . 22 P CA . 52751 1 116 . 1 . 1 25 25 PRO CB C 13 32.117 0.000 . . . . . . . 22 P CB . 52751 1 117 . 1 . 1 26 26 SER H H 1 8.415 0.000 . . . . . . . 23 S HN . 52751 1 118 . 1 . 1 26 26 SER C C 13 174.912 0.000 . . . . . . . 23 S C . 52751 1 119 . 1 . 1 26 26 SER CA C 13 58.569 0.009 . . . . . . . 23 S CA . 52751 1 120 . 1 . 1 26 26 SER CB C 13 63.725 0.038 . . . . . . . 23 S CB . 52751 1 121 . 1 . 1 26 26 SER N N 15 115.564 0.000 . . . . . . . 23 S N . 52751 1 122 . 1 . 1 27 27 LYS H H 1 8.365 0.000 . . . . . . . 24 K HN . 52751 1 123 . 1 . 1 27 27 LYS C C 13 176.369 0.000 . . . . . . . 24 K C . 52751 1 124 . 1 . 1 27 27 LYS CA C 13 56.443 0.011 . . . . . . . 24 K CA . 52751 1 125 . 1 . 1 27 27 LYS CB C 13 32.939 0.130 . . . . . . . 24 K CB . 52751 1 126 . 1 . 1 27 27 LYS N N 15 122.924 0.000 . . . . . . . 24 K N . 52751 1 127 . 1 . 1 28 28 ASN H H 1 8.353 0.000 . . . . . . . 25 N HN . 52751 1 128 . 1 . 1 28 28 ASN C C 13 175.025 0.000 . . . . . . . 25 N C . 52751 1 129 . 1 . 1 28 28 ASN CA C 13 53.413 0.011 . . . . . . . 25 N CA . 52751 1 130 . 1 . 1 28 28 ASN CB C 13 38.751 0.000 . . . . . . . 25 N CB . 52751 1 131 . 1 . 1 28 28 ASN N N 15 118.969 0.000 . . . . . . . 25 N N . 52751 1 132 . 1 . 1 29 29 ASN H H 1 8.385 0.000 . . . . . . . 26 N HN . 52751 1 133 . 1 . 1 29 29 ASN C C 13 175.094 0.000 . . . . . . . 26 N C . 52751 1 134 . 1 . 1 29 29 ASN CA C 13 53.433 0.029 . . . . . . . 26 N CA . 52751 1 135 . 1 . 1 29 29 ASN CB C 13 38.754 0.009 . . . . . . . 26 N CB . 52751 1 136 . 1 . 1 29 29 ASN N N 15 119.156 0.000 . . . . . . . 26 N N . 52751 1 137 . 1 . 1 30 30 GLN H H 1 8.284 0.000 . . . . . . . 27 Q HN . 52751 1 138 . 1 . 1 30 30 GLN C C 13 175.992 0.000 . . . . . . . 27 Q C . 52751 1 139 . 1 . 1 30 30 GLN CA C 13 56.217 0.001 . . . . . . . 27 Q CA . 52751 1 140 . 1 . 1 30 30 GLN CB C 13 29.338 0.041 . . . . . . . 27 Q CB . 52751 1 141 . 1 . 1 30 30 GLN N N 15 120.127 0.000 . . . . . . . 27 Q N . 52751 1 142 . 1 . 1 31 31 ILE H H 1 8.108 0.000 . . . . . . . 28 I HN . 52751 1 143 . 1 . 1 31 31 ILE C C 13 176.047 0.000 . . . . . . . 28 I C . 52751 1 144 . 1 . 1 31 31 ILE CA C 13 61.353 0.007 . . . . . . . 28 I CA . 52751 1 145 . 1 . 1 31 31 ILE CB C 13 38.587 0.045 . . . . . . . 28 I CB . 52751 1 146 . 1 . 1 31 31 ILE N N 15 121.675 0.000 . . . . . . . 28 I N . 52751 1 147 . 1 . 1 32 32 ALA H H 1 8.367 0.000 . . . . . . . 29 A HN . 52751 1 148 . 1 . 1 32 32 ALA C C 13 177.599 0.000 . . . . . . . 29 A C . 52751 1 149 . 1 . 1 32 32 ALA CA C 13 52.692 0.000 . . . . . . . 29 A CA . 52751 1 150 . 1 . 1 32 32 ALA CB C 13 19.142 0.051 . . . . . . . 29 A CB . 52751 1 151 . 1 . 1 32 32 ALA N N 15 127.560 0.000 . . . . . . . 29 A N . 52751 1 152 . 1 . 1 33 33 ASN H H 1 8.398 0.000 . . . . . . . 30 N HN . 52751 1 153 . 1 . 1 33 33 ASN C C 13 175.476 0.000 . . . . . . . 30 N C . 52751 1 154 . 1 . 1 33 33 ASN CA C 13 53.678 0.007 . . . . . . . 30 N CA . 52751 1 155 . 1 . 1 33 33 ASN CB C 13 38.935 0.006 . . . . . . . 30 N CB . 52751 1 156 . 1 . 1 33 33 ASN N N 15 118.275 0.000 . . . . . . . 30 N N . 52751 1 157 . 1 . 1 34 34 GLU H H 1 8.450 0.000 . . . . . . . 31 E HN . 52751 1 158 . 1 . 1 34 34 GLU C C 13 176.749 0.000 . . . . . . . 31 E C . 52751 1 159 . 1 . 1 34 34 GLU CA C 13 57.183 0.014 . . . . . . . 31 E CA . 52751 1 160 . 1 . 1 34 34 GLU CB C 13 30.057 0.000 . . . . . . . 31 E CB . 52751 1 161 . 1 . 1 34 34 GLU N N 15 121.100 0.000 . . . . . . . 31 E N . 52751 1 162 . 1 . 1 35 35 GLU H H 1 8.371 0.000 . . . . . . . 32 E HN . 52751 1 163 . 1 . 1 35 35 GLU C C 13 176.830 0.000 . . . . . . . 32 E C . 52751 1 164 . 1 . 1 35 35 GLU CA C 13 56.968 0.020 . . . . . . . 32 E CA . 52751 1 165 . 1 . 1 35 35 GLU CB C 13 30.021 0.045 . . . . . . . 32 E CB . 52751 1 166 . 1 . 1 35 35 GLU N N 15 121.468 0.000 . . . . . . . 32 E N . 52751 1 167 . 1 . 1 36 36 LYS H H 1 8.195 0.000 . . . . . . . 33 K HN . 52751 1 168 . 1 . 1 36 36 LYS C C 13 176.852 0.000 . . . . . . . 33 K C . 52751 1 169 . 1 . 1 36 36 LYS CA C 13 56.908 0.002 . . . . . . . 33 K CA . 52751 1 170 . 1 . 1 36 36 LYS CB C 13 33.105 0.014 . . . . . . . 33 K CB . 52751 1 171 . 1 . 1 36 36 LYS N N 15 121.715 0.000 . . . . . . . 33 K N . 52751 1 172 . 1 . 1 37 37 GLU H H 1 8.331 0.000 . . . . . . . 34 E HN . 52751 1 173 . 1 . 1 37 37 GLU C C 13 176.520 0.000 . . . . . . . 34 E C . 52751 1 174 . 1 . 1 37 37 GLU CA C 13 56.925 0.001 . . . . . . . 34 E CA . 52751 1 175 . 1 . 1 37 37 GLU CB C 13 30.128 0.069 . . . . . . . 34 E CB . 52751 1 176 . 1 . 1 37 37 GLU N N 15 120.804 0.000 . . . . . . . 34 E N . 52751 1 177 . 1 . 1 38 38 LYS H H 1 8.242 0.000 . . . . . . . 35 K HN . 52751 1 178 . 1 . 1 38 38 LYS C C 13 176.659 0.000 . . . . . . . 35 K C . 52751 1 179 . 1 . 1 38 38 LYS CA C 13 56.599 0.007 . . . . . . . 35 K CA . 52751 1 180 . 1 . 1 38 38 LYS CB C 13 32.909 0.068 . . . . . . . 35 K CB . 52751 1 181 . 1 . 1 38 38 LYS N N 15 122.328 0.000 . . . . . . . 35 K N . 52751 1 182 . 1 . 1 39 39 LYS H H 1 8.343 0.000 . . . . . . . 36 K HN . 52751 1 183 . 1 . 1 39 39 LYS C C 13 176.862 0.000 . . . . . . . 36 K C . 52751 1 184 . 1 . 1 39 39 LYS CA C 13 56.355 0.020 . . . . . . . 36 K CA . 52751 1 185 . 1 . 1 39 39 LYS CB C 13 32.892 0.000 . . . . . . . 36 K CB . 52751 1 186 . 1 . 1 39 39 LYS N N 15 122.776 0.000 . . . . . . . 36 K N . 52751 1 187 . 1 . 1 40 40 GLU H H 1 8.492 0.000 . . . . . . . 37 E HN . 52751 1 188 . 1 . 1 40 40 GLU C C 13 176.378 0.000 . . . . . . . 37 E C . 52751 1 189 . 1 . 1 40 40 GLU CA C 13 56.948 0.002 . . . . . . . 37 E CA . 52751 1 190 . 1 . 1 40 40 GLU CB C 13 30.182 0.050 . . . . . . . 37 E CB . 52751 1 191 . 1 . 1 40 40 GLU N N 15 121.406 0.000 . . . . . . . 37 E N . 52751 1 192 . 1 . 1 41 41 ASN H H 1 8.407 0.000 . . . . . . . 38 N HN . 52751 1 193 . 1 . 1 41 41 ASN C C 13 175.349 0.000 . . . . . . . 38 N C . 52751 1 194 . 1 . 1 41 41 ASN CA C 13 53.420 0.010 . . . . . . . 38 N CA . 52751 1 195 . 1 . 1 41 41 ASN CB C 13 38.934 0.045 . . . . . . . 38 N CB . 52751 1 196 . 1 . 1 41 41 ASN N N 15 118.553 0.000 . . . . . . . 38 N N . 52751 1 197 . 1 . 1 42 42 GLU H H 1 8.352 0.000 . . . . . . . 39 E HN . 52751 1 198 . 1 . 1 42 42 GLU C C 13 176.324 0.000 . . . . . . . 39 E C . 52751 1 199 . 1 . 1 42 42 GLU CA C 13 57.073 0.014 . . . . . . . 39 E CA . 52751 1 200 . 1 . 1 42 42 GLU CB C 13 29.826 0.000 . . . . . . . 39 E CB . 52751 1 201 . 1 . 1 42 42 GLU N N 15 121.012 0.000 . . . . . . . 39 E N . 52751 1 202 . 1 . 1 43 43 ASN H H 1 8.388 0.000 . . . . . . . 40 N HN . 52751 1 203 . 1 . 1 43 43 ASN C C 13 175.394 0.000 . . . . . . . 40 N C . 52751 1 204 . 1 . 1 43 43 ASN CA C 13 53.487 0.088 . . . . . . . 40 N CA . 52751 1 205 . 1 . 1 43 43 ASN CB C 13 38.867 0.030 . . . . . . . 40 N CB . 52751 1 206 . 1 . 1 43 43 ASN N N 15 118.688 0.000 . . . . . . . 40 N N . 52751 1 207 . 1 . 1 44 44 SER H H 1 8.144 0.000 . . . . . . . 41 S HN . 52751 1 208 . 1 . 1 44 44 SER C C 13 174.337 0.000 . . . . . . . 41 S C . 52751 1 209 . 1 . 1 44 44 SER CA C 13 58.830 0.010 . . . . . . . 41 S CA . 52751 1 210 . 1 . 1 44 44 SER CB C 13 63.499 0.015 . . . . . . . 41 S CB . 52751 1 211 . 1 . 1 44 44 SER N N 15 115.660 0.000 . . . . . . . 41 S N . 52751 1 212 . 1 . 1 45 45 TRP H H 1 7.907 0.000 . . . . . . . 42 W HN . 52751 1 213 . 1 . 1 45 45 TRP HE1 H 1 10.181 0.000 . . . . . . . 42 W HE1 . 52751 1 214 . 1 . 1 45 45 TRP C C 13 175.860 0.000 . . . . . . . 42 W C . 52751 1 215 . 1 . 1 45 45 TRP CA C 13 57.168 0.010 . . . . . . . 42 W CA . 52751 1 216 . 1 . 1 45 45 TRP CB C 13 29.323 0.003 . . . . . . . 42 W CB . 52751 1 217 . 1 . 1 45 45 TRP N N 15 121.412 0.000 . . . . . . . 42 W N . 52751 1 218 . 1 . 1 45 45 TRP NE1 N 15 129.534 0.000 . . . . . . . 42 W NE1 . 52751 1 219 . 1 . 1 46 46 CYS H H 1 8.007 0.000 . . . . . . . 43 C HN . 52751 1 220 . 1 . 1 46 46 CYS C C 13 173.847 0.000 . . . . . . . 43 C C . 52751 1 221 . 1 . 1 46 46 CYS CA C 13 55.681 0.035 . . . . . . . 43 C CA . 52751 1 222 . 1 . 1 46 46 CYS CB C 13 40.394 0.078 . . . . . . . 43 C CB . 52751 1 223 . 1 . 1 46 46 CYS N N 15 119.410 0.000 . . . . . . . 43 C N . 52751 1 224 . 1 . 1 47 47 ILE H H 1 8.049 0.000 . . . . . . . 44 I HN . 52751 1 225 . 1 . 1 47 47 ILE C C 13 174.923 0.000 . . . . . . . 44 I C . 52751 1 226 . 1 . 1 47 47 ILE CA C 13 61.162 0.000 . . . . . . . 44 I CA . 52751 1 227 . 1 . 1 47 47 ILE CB C 13 38.570 0.128 . . . . . . . 44 I CB . 52751 1 228 . 1 . 1 47 47 ILE N N 15 123.300 0.000 . . . . . . . 44 I N . 52751 1 229 . 1 . 1 48 48 LEU H H 1 7.824 0.000 . . . . . . . 45 L HN . 52751 1 230 . 1 . 1 48 48 LEU CA C 13 56.699 0.000 . . . . . . . 45 L CA . 52751 1 231 . 1 . 1 48 48 LEU CB C 13 43.518 0.000 . . . . . . . 45 L CB . 52751 1 232 . 1 . 1 48 48 LEU N N 15 132.052 0.000 . . . . . . . 45 L N . 52751 1 stop_ save_