data_52589 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52589 _Entry.Title ; Backbone assignment of TMEM106B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-20 _Entry.Accession_date 2024-08-20 _Entry.Last_release_date 2024-08-21 _Entry.Original_release_date 2024-08-21 _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 'N-terminal region (1-95) of lysosomal protein TMEM106B from homo sapiens' _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 Cecilia Perez-Borrajero . . . 0000-0002-3167-7159 52589 2 Kristian Schweimer . . . 0000-0002-3837-8442 52589 3 Janosch Hennig . . . 0000-0001-5214-7002 52589 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52589 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 52589 '15N chemical shifts' 87 52589 '1H chemical shifts' 87 52589 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 . . 2025-09-22 . original BMRB . 52589 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34953 'N-terminal region (54-92) of lysosomal protein TMEM106B from homo sapiens' 52589 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52589 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Zinc-mediated regulation of TMEM106B function in the endolysosomal pathway revealed through systematic identification of TRIM2/3 ubiquitination substrates ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 . _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 Cecilia Perez-Borrajero . . . . 52589 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52589 _Assembly.ID 1 _Assembly.Name TMEM106B _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds yes _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 TMEM106B 1 $entity_1 . . yes native no no . . . 52589 1 2 'Zn ion' 2 $entity_ZN . . no native no no . . . 52589 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 CYS 63 63 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 52589 1 2 covalent single . 1 . 1 CYS 66 66 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 52589 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52589 _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 ; GAMGKSLSHLPLHSSKEDAY DGVTSENMRNGLVNSEVHNE DGRNGDVSQFPYVEFTGRDS VTCPTCQGTGRIPRGQENQL VALIPYSDQRLRPRRTK ; _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 97 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulates lysosomal acidification, size, and motility along microtubules' 52589 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 52589 1 2 0 ALA . 52589 1 3 1 MET . 52589 1 4 2 GLY . 52589 1 5 3 LYS . 52589 1 6 4 SER . 52589 1 7 5 LEU . 52589 1 8 6 SER . 52589 1 9 7 HIS . 52589 1 10 8 LEU . 52589 1 11 9 PRO . 52589 1 12 10 LEU . 52589 1 13 11 HIS . 52589 1 14 12 SER . 52589 1 15 13 SER . 52589 1 16 14 LYS . 52589 1 17 15 GLU . 52589 1 18 16 ASP . 52589 1 19 17 ALA . 52589 1 20 18 TYR . 52589 1 21 19 ASP . 52589 1 22 20 GLY . 52589 1 23 21 VAL . 52589 1 24 22 THR . 52589 1 25 23 SER . 52589 1 26 24 GLU . 52589 1 27 25 ASN . 52589 1 28 26 MET . 52589 1 29 27 ARG . 52589 1 30 28 ASN . 52589 1 31 29 GLY . 52589 1 32 30 LEU . 52589 1 33 31 VAL . 52589 1 34 32 ASN . 52589 1 35 33 SER . 52589 1 36 34 GLU . 52589 1 37 35 VAL . 52589 1 38 36 HIS . 52589 1 39 37 ASN . 52589 1 40 38 GLU . 52589 1 41 39 ASP . 52589 1 42 40 GLY . 52589 1 43 41 ARG . 52589 1 44 42 ASN . 52589 1 45 43 GLY . 52589 1 46 44 ASP . 52589 1 47 45 VAL . 52589 1 48 46 SER . 52589 1 49 47 GLN . 52589 1 50 48 PHE . 52589 1 51 49 PRO . 52589 1 52 50 TYR . 52589 1 53 51 VAL . 52589 1 54 52 GLU . 52589 1 55 53 PHE . 52589 1 56 54 THR . 52589 1 57 55 GLY . 52589 1 58 56 ARG . 52589 1 59 57 ASP . 52589 1 60 58 SER . 52589 1 61 59 VAL . 52589 1 62 60 THR . 52589 1 63 61 CYS . 52589 1 64 62 PRO . 52589 1 65 63 THR . 52589 1 66 64 CYS . 52589 1 67 65 GLN . 52589 1 68 66 GLY . 52589 1 69 67 THR . 52589 1 70 68 GLY . 52589 1 71 69 ARG . 52589 1 72 70 ILE . 52589 1 73 71 PRO . 52589 1 74 72 ARG . 52589 1 75 73 GLY . 52589 1 76 74 GLN . 52589 1 77 75 GLU . 52589 1 78 76 ASN . 52589 1 79 77 GLN . 52589 1 80 78 LEU . 52589 1 81 79 VAL . 52589 1 82 80 ALA . 52589 1 83 81 LEU . 52589 1 84 82 ILE . 52589 1 85 83 PRO . 52589 1 86 84 TYR . 52589 1 87 85 SER . 52589 1 88 86 ASP . 52589 1 89 87 GLN . 52589 1 90 88 ARG . 52589 1 91 89 LEU . 52589 1 92 90 ARG . 52589 1 93 91 PRO . 52589 1 94 92 ARG . 52589 1 95 93 ARG . 52589 1 96 94 THR . 52589 1 97 95 LYS . 52589 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 52589 1 . ALA 2 2 52589 1 . MET 3 3 52589 1 . GLY 4 4 52589 1 . LYS 5 5 52589 1 . SER 6 6 52589 1 . LEU 7 7 52589 1 . SER 8 8 52589 1 . HIS 9 9 52589 1 . LEU 10 10 52589 1 . PRO 11 11 52589 1 . LEU 12 12 52589 1 . HIS 13 13 52589 1 . SER 14 14 52589 1 . SER 15 15 52589 1 . LYS 16 16 52589 1 . GLU 17 17 52589 1 . ASP 18 18 52589 1 . ALA 19 19 52589 1 . TYR 20 20 52589 1 . ASP 21 21 52589 1 . GLY 22 22 52589 1 . VAL 23 23 52589 1 . THR 24 24 52589 1 . SER 25 25 52589 1 . GLU 26 26 52589 1 . ASN 27 27 52589 1 . MET 28 28 52589 1 . ARG 29 29 52589 1 . ASN 30 30 52589 1 . GLY 31 31 52589 1 . LEU 32 32 52589 1 . VAL 33 33 52589 1 . ASN 34 34 52589 1 . SER 35 35 52589 1 . GLU 36 36 52589 1 . VAL 37 37 52589 1 . HIS 38 38 52589 1 . ASN 39 39 52589 1 . GLU 40 40 52589 1 . ASP 41 41 52589 1 . GLY 42 42 52589 1 . ARG 43 43 52589 1 . ASN 44 44 52589 1 . GLY 45 45 52589 1 . ASP 46 46 52589 1 . VAL 47 47 52589 1 . SER 48 48 52589 1 . GLN 49 49 52589 1 . PHE 50 50 52589 1 . PRO 51 51 52589 1 . TYR 52 52 52589 1 . VAL 53 53 52589 1 . GLU 54 54 52589 1 . PHE 55 55 52589 1 . THR 56 56 52589 1 . GLY 57 57 52589 1 . ARG 58 58 52589 1 . ASP 59 59 52589 1 . SER 60 60 52589 1 . VAL 61 61 52589 1 . THR 62 62 52589 1 . CYS 63 63 52589 1 . PRO 64 64 52589 1 . THR 65 65 52589 1 . CYS 66 66 52589 1 . GLN 67 67 52589 1 . GLY 68 68 52589 1 . THR 69 69 52589 1 . GLY 70 70 52589 1 . ARG 71 71 52589 1 . ILE 72 72 52589 1 . PRO 73 73 52589 1 . ARG 74 74 52589 1 . GLY 75 75 52589 1 . GLN 76 76 52589 1 . GLU 77 77 52589 1 . ASN 78 78 52589 1 . GLN 79 79 52589 1 . LEU 80 80 52589 1 . VAL 81 81 52589 1 . ALA 82 82 52589 1 . LEU 83 83 52589 1 . ILE 84 84 52589 1 . PRO 85 85 52589 1 . TYR 86 86 52589 1 . SER 87 87 52589 1 . ASP 88 88 52589 1 . GLN 89 89 52589 1 . ARG 90 90 52589 1 . LEU 91 91 52589 1 . ARG 92 92 52589 1 . PRO 93 93 52589 1 . ARG 94 94 52589 1 . ARG 95 95 52589 1 . THR 96 96 52589 1 . LYS 97 97 52589 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 52589 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 52589 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 52589 2 ZN 'Three letter code' 52589 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 52589 2 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 52589 _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 . . . . . . . . . . . . . 52589 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 52589 _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 . . pETM41 . . . 52589 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 52589 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 52589 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 52589 ZN [Zn++] SMILES CACTVS 3.341 52589 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 52589 ZN [Zn+2] SMILES ACDLabs 10.04 52589 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 52589 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52589 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 52589 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52589 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 52589 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52589 _Sample.ID 1 _Sample.Name TMEM106B _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 TMEM106B '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 52589 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52589 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52589 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 52589 1 5 ZnCl2 'natural abundance' . . . . . . 0.01 . . mM . . . . 52589 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 52589 _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' 0.16 . M 52589 1 pH 6.5 . pH 52589 1 pressure 1 . atm 52589 1 temperature 298 . K 52589 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52589 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52589 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52589 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52589 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52589 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52589 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 52589 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name EMBL_700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52589 _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 . . . . . . . . . . . . . . . . . 52589 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52589 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52589 1 4 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52589 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52589 1 6 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52589 1 7 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52589 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 52589 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_1 _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 . . . . . 52589 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52589 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52589 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 52589 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_list_1 _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' . . . 52589 1 2 '3D HNCO' . . . 52589 1 3 '3D HNCA' . . . 52589 1 4 '3D CBCACONH' . . . 52589 1 5 '3D HNCACB' . . . 52589 1 6 '3D HNCACO' . . . 52589 1 7 '3D H(CCO)NH' . . . 52589 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 2 $software_2 . . 52589 1 3 $software_3 . . 52589 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.545 0.020 . 1 . . . . . 1 MET H . 52589 1 2 . 1 . 1 3 3 MET CA C 13 55.395 0.3 . 1 . . . . . 1 MET CA . 52589 1 3 . 1 . 1 3 3 MET CB C 13 32.742 0.3 . 1 . . . . . 1 MET CB . 52589 1 4 . 1 . 1 3 3 MET N N 15 119.811 0.3 . 1 . . . . . 1 MET N . 52589 1 5 . 1 . 1 4 4 GLY H H 1 8.422 0.020 . 1 . . . . . 2 GLY H . 52589 1 6 . 1 . 1 4 4 GLY CA C 13 45.315 0.3 . 1 . . . . . 2 GLY CA . 52589 1 7 . 1 . 1 4 4 GLY N N 15 110.201 0.3 . 1 . . . . . 2 GLY N . 52589 1 8 . 1 . 1 5 5 LYS H H 1 8.222 0.020 . 1 . . . . . 3 LYS H . 52589 1 9 . 1 . 1 5 5 LYS CA C 13 56.513 0.3 . 1 . . . . . 3 LYS CA . 52589 1 10 . 1 . 1 5 5 LYS CB C 13 32.918 0.3 . 1 . . . . . 3 LYS CB . 52589 1 11 . 1 . 1 5 5 LYS N N 15 120.601 0.3 . 1 . . . . . 3 LYS N . 52589 1 12 . 1 . 1 6 6 SER H H 1 8.387 0.020 . 1 . . . . . 4 SER H . 52589 1 13 . 1 . 1 6 6 SER CA C 13 58.278 0.3 . 1 . . . . . 4 SER CA . 52589 1 14 . 1 . 1 6 6 SER CB C 13 63.574 0.3 . 1 . . . . . 4 SER CB . 52589 1 15 . 1 . 1 6 6 SER N N 15 117.010 0.3 . 1 . . . . . 4 SER N . 52589 1 16 . 1 . 1 7 7 LEU H H 1 8.362 0.020 . 1 . . . . . 5 LEU H . 52589 1 17 . 1 . 1 7 7 LEU CA C 13 55.100 0.3 . 1 . . . . . 5 LEU CA . 52589 1 18 . 1 . 1 7 7 LEU CB C 13 42.135 0.3 . 1 . . . . . 5 LEU CB . 52589 1 19 . 1 . 1 7 7 LEU N N 15 124.204 0.3 . 1 . . . . . 5 LEU N . 52589 1 20 . 1 . 1 8 8 SER H H 1 8.222 0.020 . 1 . . . . . 6 SER H . 52589 1 21 . 1 . 1 8 8 SER CA C 13 58.453 0.3 . 1 . . . . . 6 SER CA . 52589 1 22 . 1 . 1 8 8 SER CB C 13 63.633 0.3 . 1 . . . . . 6 SER CB . 52589 1 23 . 1 . 1 8 8 SER N N 15 115.786 0.3 . 1 . . . . . 6 SER N . 52589 1 24 . 1 . 1 9 9 HIS H H 1 8.317 0.020 . 1 . . . . . 7 HIS H . 52589 1 25 . 1 . 1 9 9 HIS CA C 13 55.627 0.3 . 1 . . . . . 7 HIS CA . 52589 1 26 . 1 . 1 9 9 HIS N N 15 120.464 0.3 . 1 . . . . . 7 HIS N . 52589 1 27 . 1 . 1 10 10 LEU H H 1 8.118 0.020 . 1 . . . . . 8 LEU H . 52589 1 28 . 1 . 1 10 10 LEU CA C 13 52.983 0.3 . 1 . . . . . 8 LEU CA . 52589 1 29 . 1 . 1 10 10 LEU CB C 13 41.509 0.3 . 1 . . . . . 8 LEU CB . 52589 1 30 . 1 . 1 10 10 LEU N N 15 124.443 0.3 . 1 . . . . . 8 LEU N . 52589 1 31 . 1 . 1 12 12 LEU H H 1 8.305 0.020 . 1 . . . . . 10 LEU H . 52589 1 32 . 1 . 1 12 12 LEU CA C 13 55.362 0.3 . 1 . . . . . 10 LEU CA . 52589 1 33 . 1 . 1 12 12 LEU CB C 13 42.274 0.3 . 1 . . . . . 10 LEU CB . 52589 1 34 . 1 . 1 12 12 LEU N N 15 122.086 0.3 . 1 . . . . . 10 LEU N . 52589 1 35 . 1 . 1 13 13 HIS H H 1 8.346 0.020 . 1 . . . . . 11 HIS H . 52589 1 36 . 1 . 1 13 13 HIS CA C 13 55.636 0.3 . 1 . . . . . 11 HIS CA . 52589 1 37 . 1 . 1 13 13 HIS CB C 13 29.945 0.3 . 1 . . . . . 11 HIS CB . 52589 1 38 . 1 . 1 13 13 HIS N N 15 119.046 0.3 . 1 . . . . . 11 HIS N . 52589 1 39 . 1 . 1 14 14 SER H H 1 8.306 0.020 . 1 . . . . . 12 SER H . 52589 1 40 . 1 . 1 14 14 SER CA C 13 58.162 0.3 . 1 . . . . . 12 SER CA . 52589 1 41 . 1 . 1 14 14 SER CB C 13 63.926 0.3 . 1 . . . . . 12 SER CB . 52589 1 42 . 1 . 1 14 14 SER N N 15 117.096 0.3 . 1 . . . . . 12 SER N . 52589 1 43 . 1 . 1 15 15 SER H H 1 8.502 0.020 . 1 . . . . . 13 SER H . 52589 1 44 . 1 . 1 15 15 SER CA C 13 58.341 0.3 . 1 . . . . . 13 SER CA . 52589 1 45 . 1 . 1 15 15 SER CB C 13 63.844 0.3 . 1 . . . . . 13 SER CB . 52589 1 46 . 1 . 1 15 15 SER N N 15 118.230 0.3 . 1 . . . . . 13 SER N . 52589 1 47 . 1 . 1 16 16 LYS H H 1 8.382 0.020 . 1 . . . . . 14 LYS H . 52589 1 48 . 1 . 1 16 16 LYS CA C 13 56.643 0.3 . 1 . . . . . 14 LYS CA . 52589 1 49 . 1 . 1 16 16 LYS CB C 13 32.720 0.3 . 1 . . . . . 14 LYS CB . 52589 1 50 . 1 . 1 16 16 LYS N N 15 122.944 0.3 . 1 . . . . . 14 LYS N . 52589 1 51 . 1 . 1 17 17 GLU H H 1 8.406 0.020 . 1 . . . . . 15 GLU H . 52589 1 52 . 1 . 1 17 17 GLU CA C 13 56.748 0.3 . 1 . . . . . 15 GLU CA . 52589 1 53 . 1 . 1 17 17 GLU CB C 13 29.918 0.3 . 1 . . . . . 15 GLU CB . 52589 1 54 . 1 . 1 17 17 GLU N N 15 121.134 0.3 . 1 . . . . . 15 GLU N . 52589 1 55 . 1 . 1 18 18 ASP H H 1 8.212 0.020 . 1 . . . . . 16 ASP H . 52589 1 56 . 1 . 1 18 18 ASP CA C 13 54.218 0.3 . 1 . . . . . 16 ASP CA . 52589 1 57 . 1 . 1 18 18 ASP CB C 13 41.038 0.3 . 1 . . . . . 16 ASP CB . 52589 1 58 . 1 . 1 18 18 ASP N N 15 120.926 0.3 . 1 . . . . . 16 ASP N . 52589 1 59 . 1 . 1 19 19 ALA H H 1 8.054 0.020 . 1 . . . . . 17 ALA H . 52589 1 60 . 1 . 1 19 19 ALA CA C 13 52.469 0.3 . 1 . . . . . 17 ALA CA . 52589 1 61 . 1 . 1 19 19 ALA CB C 13 19.150 0.3 . 1 . . . . . 17 ALA CB . 52589 1 62 . 1 . 1 19 19 ALA N N 15 123.537 0.3 . 1 . . . . . 17 ALA N . 52589 1 63 . 1 . 1 20 20 TYR H H 1 8.169 0.020 . 1 . . . . . 18 TYR H . 52589 1 64 . 1 . 1 20 20 TYR CA C 13 57.879 0.3 . 1 . . . . . 18 TYR CA . 52589 1 65 . 1 . 1 20 20 TYR CB C 13 38.567 0.3 . 1 . . . . . 18 TYR CB . 52589 1 66 . 1 . 1 20 20 TYR N N 15 119.480 0.3 . 1 . . . . . 18 TYR N . 52589 1 67 . 1 . 1 21 21 ASP H H 1 8.214 0.020 . 1 . . . . . 19 ASP H . 52589 1 68 . 1 . 1 21 21 ASP CA C 13 54.213 0.3 . 1 . . . . . 19 ASP CA . 52589 1 69 . 1 . 1 21 21 ASP CB C 13 41.055 0.3 . 1 . . . . . 19 ASP CB . 52589 1 70 . 1 . 1 21 21 ASP N N 15 122.573 0.3 . 1 . . . . . 19 ASP N . 52589 1 71 . 1 . 1 22 22 GLY H H 1 7.788 0.020 . 1 . . . . . 20 GLY H . 52589 1 72 . 1 . 1 22 22 GLY CA C 13 45.451 0.3 . 1 . . . . . 20 GLY CA . 52589 1 73 . 1 . 1 22 22 GLY N N 15 108.580 0.3 . 1 . . . . . 20 GLY N . 52589 1 74 . 1 . 1 23 23 VAL H H 1 8.006 0.020 . 1 . . . . . 21 VAL H . 52589 1 75 . 1 . 1 23 23 VAL CA C 13 62.750 0.3 . 1 . . . . . 21 VAL CA . 52589 1 76 . 1 . 1 23 23 VAL CB C 13 32.565 0.3 . 1 . . . . . 21 VAL CB . 52589 1 77 . 1 . 1 23 23 VAL N N 15 119.596 0.3 . 1 . . . . . 21 VAL N . 52589 1 78 . 1 . 1 24 24 THR H H 1 8.341 0.020 . 1 . . . . . 22 THR H . 52589 1 79 . 1 . 1 24 24 THR CA C 13 62.008 0.3 . 1 . . . . . 22 THR CA . 52589 1 80 . 1 . 1 24 24 THR CB C 13 69.693 0.3 . 1 . . . . . 22 THR CB . 52589 1 81 . 1 . 1 24 24 THR N N 15 117.747 0.3 . 1 . . . . . 22 THR N . 52589 1 82 . 1 . 1 25 25 SER H H 1 8.341 0.020 . 1 . . . . . 23 SER H . 52589 1 83 . 1 . 1 25 25 SER CA C 13 58.850 0.3 . 1 . . . . . 23 SER CA . 52589 1 84 . 1 . 1 25 25 SER CB C 13 63.640 0.3 . 1 . . . . . 23 SER CB . 52589 1 85 . 1 . 1 25 25 SER N N 15 117.842 0.3 . 1 . . . . . 23 SER N . 52589 1 86 . 1 . 1 26 26 GLU H H 1 8.510 0.020 . 1 . . . . . 24 GLU H . 52589 1 87 . 1 . 1 26 26 GLU CA C 13 57.570 0.3 . 1 . . . . . 24 GLU CA . 52589 1 88 . 1 . 1 26 26 GLU CB C 13 29.788 0.3 . 1 . . . . . 24 GLU CB . 52589 1 89 . 1 . 1 26 26 GLU N N 15 122.524 0.3 . 1 . . . . . 24 GLU N . 52589 1 90 . 1 . 1 27 27 ASN H H 1 8.338 0.020 . 1 . . . . . 25 ASN H . 52589 1 91 . 1 . 1 27 27 ASN CA C 13 53.794 0.3 . 1 . . . . . 25 ASN CA . 52589 1 92 . 1 . 1 27 27 ASN CB C 13 38.431 0.3 . 1 . . . . . 25 ASN CB . 52589 1 93 . 1 . 1 27 27 ASN N N 15 118.290 0.3 . 1 . . . . . 25 ASN N . 52589 1 94 . 1 . 1 28 28 MET H H 1 8.138 0.020 . 1 . . . . . 26 MET H . 52589 1 95 . 1 . 1 28 28 MET CA C 13 56.223 0.3 . 1 . . . . . 26 MET CA . 52589 1 96 . 1 . 1 28 28 MET CB C 13 30.447 0.3 . 1 . . . . . 26 MET CB . 52589 1 97 . 1 . 1 28 28 MET N N 15 120.018 0.3 . 1 . . . . . 26 MET N . 52589 1 98 . 1 . 1 29 29 ARG H H 1 8.216 0.020 . 1 . . . . . 27 ARG H . 52589 1 99 . 1 . 1 29 29 ARG CA C 13 56.513 0.3 . 1 . . . . . 27 ARG CA . 52589 1 100 . 1 . 1 29 29 ARG CB C 13 30.212 0.3 . 1 . . . . . 27 ARG CB . 52589 1 101 . 1 . 1 29 29 ARG N N 15 120.926 0.3 . 1 . . . . . 27 ARG N . 52589 1 102 . 1 . 1 30 30 ASN H H 1 8.340 0.020 . 1 . . . . . 28 ASN H . 52589 1 103 . 1 . 1 30 30 ASN CA C 13 53.495 0.3 . 1 . . . . . 28 ASN CA . 52589 1 104 . 1 . 1 30 30 ASN CB C 13 38.710 0.3 . 1 . . . . . 28 ASN CB . 52589 1 105 . 1 . 1 30 30 ASN N N 15 118.800 0.3 . 1 . . . . . 28 ASN N . 52589 1 106 . 1 . 1 31 31 GLY H H 1 8.295 0.020 . 1 . . . . . 29 GLY H . 52589 1 107 . 1 . 1 31 31 GLY CA C 13 45.536 0.3 . 1 . . . . . 29 GLY CA . 52589 1 108 . 1 . 1 31 31 GLY N N 15 108.754 0.3 . 1 . . . . . 29 GLY N . 52589 1 109 . 1 . 1 32 32 LEU H H 1 8.024 0.020 . 1 . . . . . 30 LEU H . 52589 1 110 . 1 . 1 32 32 LEU CA C 13 55.163 0.3 . 1 . . . . . 30 LEU CA . 52589 1 111 . 1 . 1 32 32 LEU CB C 13 42.238 0.3 . 1 . . . . . 30 LEU CB . 52589 1 112 . 1 . 1 32 32 LEU N N 15 121.345 0.3 . 1 . . . . . 30 LEU N . 52589 1 113 . 1 . 1 33 33 VAL H H 1 8.078 0.020 . 1 . . . . . 31 VAL H . 52589 1 114 . 1 . 1 33 33 VAL CA C 13 62.317 0.3 . 1 . . . . . 31 VAL CA . 52589 1 115 . 1 . 1 33 33 VAL CB C 13 32.742 0.3 . 1 . . . . . 31 VAL CB . 52589 1 116 . 1 . 1 33 33 VAL N N 15 120.379 0.3 . 1 . . . . . 31 VAL N . 52589 1 117 . 1 . 1 34 34 ASN H H 1 8.522 0.020 . 1 . . . . . 32 ASN H . 52589 1 118 . 1 . 1 34 34 ASN CA C 13 53.286 0.3 . 1 . . . . . 32 ASN CA . 52589 1 119 . 1 . 1 34 34 ASN CB C 13 38.842 0.3 . 1 . . . . . 32 ASN CB . 52589 1 120 . 1 . 1 34 34 ASN N N 15 122.615 0.3 . 1 . . . . . 32 ASN N . 52589 1 121 . 1 . 1 35 35 SER H H 1 8.308 0.020 . 1 . . . . . 33 SER H . 52589 1 122 . 1 . 1 35 35 SER CA C 13 58.607 0.3 . 1 . . . . . 33 SER CA . 52589 1 123 . 1 . 1 35 35 SER CB C 13 63.664 0.3 . 1 . . . . . 33 SER CB . 52589 1 124 . 1 . 1 35 35 SER N N 15 116.484 0.3 . 1 . . . . . 33 SER N . 52589 1 125 . 1 . 1 36 36 GLU H H 1 8.407 0.020 . 1 . . . . . 34 GLU H . 52589 1 126 . 1 . 1 36 36 GLU CA C 13 56.489 0.3 . 1 . . . . . 34 GLU CA . 52589 1 127 . 1 . 1 36 36 GLU CB C 13 30.096 0.3 . 1 . . . . . 34 GLU CB . 52589 1 128 . 1 . 1 36 36 GLU N N 15 122.485 0.3 . 1 . . . . . 34 GLU N . 52589 1 129 . 1 . 1 37 37 VAL H H 1 8.023 0.020 . 1 . . . . . 35 VAL H . 52589 1 130 . 1 . 1 37 37 VAL CA C 13 62.339 0.3 . 1 . . . . . 35 VAL CA . 52589 1 131 . 1 . 1 37 37 VAL CB C 13 32.624 0.3 . 1 . . . . . 35 VAL CB . 52589 1 132 . 1 . 1 37 37 VAL N N 15 120.719 0.3 . 1 . . . . . 35 VAL N . 52589 1 133 . 1 . 1 38 38 HIS H H 1 8.542 0.020 . 1 . . . . . 36 HIS H . 52589 1 134 . 1 . 1 38 38 HIS CA C 13 55.219 0.3 . 1 . . . . . 36 HIS CA . 52589 1 135 . 1 . 1 38 38 HIS CB C 13 29.623 0.3 . 1 . . . . . 36 HIS CB . 52589 1 136 . 1 . 1 38 38 HIS N N 15 122.973 0.3 . 1 . . . . . 36 HIS N . 52589 1 137 . 1 . 1 39 39 ASN H H 1 8.488 0.020 . 1 . . . . . 37 ASN H . 52589 1 138 . 1 . 1 39 39 ASN CA C 13 53.218 0.3 . 1 . . . . . 37 ASN CA . 52589 1 139 . 1 . 1 39 39 ASN CB C 13 39.038 0.3 . 1 . . . . . 37 ASN CB . 52589 1 140 . 1 . 1 39 39 ASN N N 15 121.056 0.3 . 1 . . . . . 37 ASN N . 52589 1 141 . 1 . 1 40 40 GLU H H 1 8.698 0.020 . 1 . . . . . 38 GLU H . 52589 1 142 . 1 . 1 40 40 GLU CA C 13 56.798 0.3 . 1 . . . . . 38 GLU CA . 52589 1 143 . 1 . 1 40 40 GLU CB C 13 29.890 0.3 . 1 . . . . . 38 GLU CB . 52589 1 144 . 1 . 1 40 40 GLU N N 15 121.804 0.3 . 1 . . . . . 38 GLU N . 52589 1 145 . 1 . 1 41 41 ASP H H 1 8.325 0.020 . 1 . . . . . 39 ASP H . 52589 1 146 . 1 . 1 41 41 ASP CA C 13 54.545 0.3 . 1 . . . . . 39 ASP CA . 52589 1 147 . 1 . 1 41 41 ASP CB C 13 41.038 0.3 . 1 . . . . . 39 ASP CB . 52589 1 148 . 1 . 1 41 41 ASP N N 15 120.767 0.3 . 1 . . . . . 39 ASP N . 52589 1 149 . 1 . 1 42 42 GLY H H 1 8.372 0.020 . 1 . . . . . 40 GLY H . 52589 1 150 . 1 . 1 42 42 GLY CA C 13 45.569 0.3 . 1 . . . . . 40 GLY CA . 52589 1 151 . 1 . 1 42 42 GLY N N 15 109.180 0.3 . 1 . . . . . 40 GLY N . 52589 1 152 . 1 . 1 43 43 ARG H H 1 8.128 0.020 . 1 . . . . . 41 ARG H . 52589 1 153 . 1 . 1 43 43 ARG CA C 13 56.219 0.3 . 1 . . . . . 41 ARG CA . 52589 1 154 . 1 . 1 43 43 ARG CB C 13 30.388 0.3 . 1 . . . . . 41 ARG CB . 52589 1 155 . 1 . 1 43 43 ARG N N 15 120.127 0.3 . 1 . . . . . 41 ARG N . 52589 1 156 . 1 . 1 44 44 ASN H H 1 8.494 0.020 . 1 . . . . . 42 ASN H . 52589 1 157 . 1 . 1 44 44 ASN CA C 13 53.351 0.3 . 1 . . . . . 42 ASN CA . 52589 1 158 . 1 . 1 44 44 ASN CB C 13 38.842 0.3 . 1 . . . . . 42 ASN CB . 52589 1 159 . 1 . 1 44 44 ASN N N 15 119.274 0.3 . 1 . . . . . 42 ASN N . 52589 1 160 . 1 . 1 45 45 GLY H H 1 8.344 0.020 . 1 . . . . . 43 GLY H . 52589 1 161 . 1 . 1 45 45 GLY CA C 13 45.426 0.3 . 1 . . . . . 43 GLY CA . 52589 1 162 . 1 . 1 45 45 GLY N N 15 109.075 0.3 . 1 . . . . . 43 GLY N . 52589 1 163 . 1 . 1 46 46 ASP H H 1 8.217 0.020 . 1 . . . . . 44 ASP H . 52589 1 164 . 1 . 1 46 46 ASP CA C 13 54.141 0.3 . 1 . . . . . 44 ASP CA . 52589 1 165 . 1 . 1 46 46 ASP CB C 13 41.085 0.3 . 1 . . . . . 44 ASP CB . 52589 1 166 . 1 . 1 46 46 ASP N N 15 120.680 0.3 . 1 . . . . . 44 ASP N . 52589 1 167 . 1 . 1 47 47 VAL H H 1 8.120 0.020 . 1 . . . . . 45 VAL H . 52589 1 168 . 1 . 1 47 47 VAL CA C 13 62.273 0.3 . 1 . . . . . 45 VAL CA . 52589 1 169 . 1 . 1 47 47 VAL CB C 13 32.448 0.3 . 1 . . . . . 45 VAL CB . 52589 1 170 . 1 . 1 47 47 VAL N N 15 119.855 0.3 . 1 . . . . . 45 VAL N . 52589 1 171 . 1 . 1 48 48 SER H H 1 8.377 0.020 . 1 . . . . . 46 SER H . 52589 1 172 . 1 . 1 48 48 SER CA C 13 58.643 0.3 . 1 . . . . . 46 SER CA . 52589 1 173 . 1 . 1 48 48 SER CB C 13 63.566 0.3 . 1 . . . . . 46 SER CB . 52589 1 174 . 1 . 1 48 48 SER N N 15 118.764 0.3 . 1 . . . . . 46 SER N . 52589 1 175 . 1 . 1 49 49 GLN H H 1 8.203 0.020 . 1 . . . . . 47 GLN H . 52589 1 176 . 1 . 1 49 49 GLN CA C 13 55.737 0.3 . 1 . . . . . 47 GLN CA . 52589 1 177 . 1 . 1 49 49 GLN CB C 13 29.447 0.3 . 1 . . . . . 47 GLN CB . 52589 1 178 . 1 . 1 49 49 GLN N N 15 121.514 0.3 . 1 . . . . . 47 GLN N . 52589 1 179 . 1 . 1 50 50 PHE H H 1 8.116 0.020 . 1 . . . . . 48 PHE H . 52589 1 180 . 1 . 1 50 50 PHE CA C 13 55.560 0.3 . 1 . . . . . 48 PHE CA . 52589 1 181 . 1 . 1 50 50 PHE CB C 13 38.979 0.3 . 1 . . . . . 48 PHE CB . 52589 1 182 . 1 . 1 50 50 PHE N N 15 121.168 0.3 . 1 . . . . . 48 PHE N . 52589 1 183 . 1 . 1 52 52 TYR H H 1 8.051 0.020 . 1 . . . . . 50 TYR H . 52589 1 184 . 1 . 1 52 52 TYR CA C 13 57.989 0.3 . 1 . . . . . 50 TYR CA . 52589 1 185 . 1 . 1 52 52 TYR CB C 13 38.567 0.3 . 1 . . . . . 50 TYR CB . 52589 1 186 . 1 . 1 52 52 TYR N N 15 120.283 0.3 . 1 . . . . . 50 TYR N . 52589 1 187 . 1 . 1 53 53 VAL H H 1 7.892 0.020 . 1 . . . . . 51 VAL H . 52589 1 188 . 1 . 1 53 53 VAL CA C 13 61.867 0.3 . 1 . . . . . 51 VAL CA . 52589 1 189 . 1 . 1 53 53 VAL CB C 13 33.036 0.3 . 1 . . . . . 51 VAL CB . 52589 1 190 . 1 . 1 53 53 VAL N N 15 122.673 0.3 . 1 . . . . . 51 VAL N . 52589 1 191 . 1 . 1 54 54 GLU H H 1 8.335 0.020 . 1 . . . . . 52 GLU H . 52589 1 192 . 1 . 1 54 54 GLU CA C 13 56.438 0.3 . 1 . . . . . 52 GLU CA . 52589 1 193 . 1 . 1 54 54 GLU CB C 13 30.302 0.3 . 1 . . . . . 52 GLU CB . 52589 1 194 . 1 . 1 54 54 GLU N N 15 124.300 0.3 . 1 . . . . . 52 GLU N . 52589 1 195 . 1 . 1 55 55 PHE H H 1 8.346 0.020 . 1 . . . . . 53 PHE H . 52589 1 196 . 1 . 1 55 55 PHE CA C 13 57.857 0.3 . 1 . . . . . 53 PHE CA . 52589 1 197 . 1 . 1 55 55 PHE CB C 13 39.450 0.3 . 1 . . . . . 53 PHE CB . 52589 1 198 . 1 . 1 55 55 PHE N N 15 121.696 0.3 . 1 . . . . . 53 PHE N . 52589 1 199 . 1 . 1 56 56 THR H H 1 8.204 0.020 . 1 . . . . . 54 THR H . 52589 1 200 . 1 . 1 56 56 THR CA C 13 61.867 0.3 . 1 . . . . . 54 THR CA . 52589 1 201 . 1 . 1 56 56 THR CB C 13 69.752 0.3 . 1 . . . . . 54 THR CB . 52589 1 202 . 1 . 1 56 56 THR N N 15 115.252 0.3 . 1 . . . . . 54 THR N . 52589 1 203 . 1 . 1 57 57 GLY H H 1 7.979 0.020 . 1 . . . . . 55 GLY H . 52589 1 204 . 1 . 1 57 57 GLY CA C 13 45.451 0.3 . 1 . . . . . 55 GLY CA . 52589 1 205 . 1 . 1 57 57 GLY N N 15 110.396 0.3 . 1 . . . . . 55 GLY N . 52589 1 206 . 1 . 1 58 58 ARG H H 1 8.152 0.020 . 1 . . . . . 56 ARG H . 52589 1 207 . 1 . 1 58 58 ARG CA C 13 56.206 0.3 . 1 . . . . . 56 ARG CA . 52589 1 208 . 1 . 1 58 58 ARG CB C 13 30.627 0.3 . 1 . . . . . 56 ARG CB . 52589 1 209 . 1 . 1 58 58 ARG N N 15 120.127 0.3 . 1 . . . . . 56 ARG N . 52589 1 210 . 1 . 1 59 59 ASP H H 1 8.451 0.020 . 1 . . . . . 57 ASP H . 52589 1 211 . 1 . 1 59 59 ASP CA C 13 54.160 0.3 . 1 . . . . . 57 ASP CA . 52589 1 212 . 1 . 1 59 59 ASP CB C 13 40.979 0.3 . 1 . . . . . 57 ASP CB . 52589 1 213 . 1 . 1 59 59 ASP N N 15 120.175 0.3 . 1 . . . . . 57 ASP N . 52589 1 214 . 1 . 1 60 60 SER H H 1 8.044 0.020 . 1 . . . . . 58 SER H . 52589 1 215 . 1 . 1 60 60 SER CA C 13 57.548 0.3 . 1 . . . . . 58 SER CA . 52589 1 216 . 1 . 1 60 60 SER CB C 13 66.222 0.3 . 1 . . . . . 58 SER CB . 52589 1 217 . 1 . 1 60 60 SER N N 15 115.431 0.3 . 1 . . . . . 58 SER N . 52589 1 218 . 1 . 1 61 61 VAL H H 1 9.020 0.020 . 1 . . . . . 59 VAL H . 52589 1 219 . 1 . 1 61 61 VAL CA C 13 59.292 0.3 . 1 . . . . . 59 VAL CA . 52589 1 220 . 1 . 1 61 61 VAL CB C 13 35.566 0.3 . 1 . . . . . 59 VAL CB . 52589 1 221 . 1 . 1 61 61 VAL N N 15 115.582 0.3 . 1 . . . . . 59 VAL N . 52589 1 222 . 1 . 1 62 62 THR H H 1 8.244 0.020 . 1 . . . . . 60 THR H . 52589 1 223 . 1 . 1 62 62 THR CA C 13 64.339 0.3 . 1 . . . . . 60 THR CA . 52589 1 224 . 1 . 1 62 62 THR CB C 13 69.046 0.3 . 1 . . . . . 60 THR CB . 52589 1 225 . 1 . 1 62 62 THR N N 15 118.802 0.3 . 1 . . . . . 60 THR N . 52589 1 226 . 1 . 1 63 63 CYS H H 1 8.102 0.020 . 1 . . . . . 61 CYS H . 52589 1 227 . 1 . 1 63 63 CYS CA C 13 56.984 0.3 . 1 . . . . . 61 CYS CA . 52589 1 228 . 1 . 1 63 63 CYS CB C 13 31.565 0.3 . 1 . . . . . 61 CYS CB . 52589 1 229 . 1 . 1 63 63 CYS N N 15 129.914 0.3 . 1 . . . . . 61 CYS N . 52589 1 230 . 1 . 1 65 65 THR H H 1 8.833 0.020 . 1 . . . . . 63 THR H . 52589 1 231 . 1 . 1 65 65 THR CA C 13 65.698 0.3 . 1 . . . . . 63 THR CA . 52589 1 232 . 1 . 1 65 65 THR CB C 13 68.785 0.3 . 1 . . . . . 63 THR CB . 52589 1 233 . 1 . 1 65 65 THR N N 15 121.435 0.3 . 1 . . . . . 63 THR N . 52589 1 234 . 1 . 1 66 66 CYS H H 1 7.704 0.020 . 1 . . . . . 64 CYS H . 52589 1 235 . 1 . 1 66 66 CYS CA C 13 57.525 0.3 . 1 . . . . . 64 CYS CA . 52589 1 236 . 1 . 1 66 66 CYS CB C 13 32.271 0.3 . 1 . . . . . 64 CYS CB . 52589 1 237 . 1 . 1 66 66 CYS N N 15 116.641 0.3 . 1 . . . . . 64 CYS N . 52589 1 238 . 1 . 1 67 67 GLN H H 1 7.877 0.020 . 1 . . . . . 65 GLN H . 52589 1 239 . 1 . 1 67 67 GLN CA C 13 57.305 0.3 . 1 . . . . . 65 GLN CA . 52589 1 240 . 1 . 1 67 67 GLN CB C 13 25.858 0.3 . 1 . . . . . 65 GLN CB . 52589 1 241 . 1 . 1 67 67 GLN N N 15 119.330 0.3 . 1 . . . . . 65 GLN N . 52589 1 242 . 1 . 1 68 68 GLY H H 1 8.329 0.020 . 1 . . . . . 66 GLY H . 52589 1 243 . 1 . 1 68 68 GLY CA C 13 45.470 0.3 . 1 . . . . . 66 GLY CA . 52589 1 244 . 1 . 1 68 68 GLY N N 15 106.133 0.3 . 1 . . . . . 66 GLY N . 52589 1 245 . 1 . 1 69 69 THR H H 1 7.718 0.020 . 1 . . . . . 67 THR H . 52589 1 246 . 1 . 1 69 69 THR CA C 13 63.162 0.3 . 1 . . . . . 67 THR CA . 52589 1 247 . 1 . 1 69 69 THR CB C 13 70.399 0.3 . 1 . . . . . 67 THR CB . 52589 1 248 . 1 . 1 69 69 THR N N 15 111.443 0.3 . 1 . . . . . 67 THR N . 52589 1 249 . 1 . 1 70 70 GLY H H 1 9.846 0.020 . 1 . . . . . 68 GLY H . 52589 1 250 . 1 . 1 70 70 GLY CA C 13 45.385 0.3 . 1 . . . . . 68 GLY CA . 52589 1 251 . 1 . 1 70 70 GLY N N 15 114.052 0.3 . 1 . . . . . 68 GLY N . 52589 1 252 . 1 . 1 71 71 ARG H H 1 7.988 0.020 . 1 . . . . . 69 ARG H . 52589 1 253 . 1 . 1 71 71 ARG CA C 13 54.080 0.3 . 1 . . . . . 69 ARG CA . 52589 1 254 . 1 . 1 71 71 ARG CB C 13 34.208 0.3 . 1 . . . . . 69 ARG CB . 52589 1 255 . 1 . 1 71 71 ARG N N 15 120.435 0.3 . 1 . . . . . 69 ARG N . 52589 1 256 . 1 . 1 72 72 ILE H H 1 8.723 0.020 . 1 . . . . . 70 ILE H . 52589 1 257 . 1 . 1 72 72 ILE CA C 13 58.043 0.3 . 1 . . . . . 70 ILE CA . 52589 1 258 . 1 . 1 72 72 ILE CB C 13 39.508 0.3 . 1 . . . . . 70 ILE CB . 52589 1 259 . 1 . 1 72 72 ILE N N 15 113.735 0.3 . 1 . . . . . 70 ILE N . 52589 1 260 . 1 . 1 75 75 GLY H H 1 8.879 0.020 . 1 . . . . . 73 GLY H . 52589 1 261 . 1 . 1 75 75 GLY CA C 13 45.426 0.3 . 1 . . . . . 73 GLY CA . 52589 1 262 . 1 . 1 75 75 GLY N N 15 111.553 0.3 . 1 . . . . . 73 GLY N . 52589 1 263 . 1 . 1 76 76 GLN H H 1 8.239 0.020 . 1 . . . . . 74 GLN H . 52589 1 264 . 1 . 1 76 76 GLN CA C 13 55.866 0.3 . 1 . . . . . 74 GLN CA . 52589 1 265 . 1 . 1 76 76 GLN CB C 13 29.329 0.3 . 1 . . . . . 74 GLN CB . 52589 1 266 . 1 . 1 76 76 GLN N N 15 119.780 0.3 . 1 . . . . . 74 GLN N . 52589 1 267 . 1 . 1 77 77 GLU H H 1 8.925 0.020 . 1 . . . . . 75 GLU H . 52589 1 268 . 1 . 1 77 77 GLU CA C 13 58.043 0.3 . 1 . . . . . 75 GLU CA . 52589 1 269 . 1 . 1 77 77 GLU CB C 13 29.329 0.3 . 1 . . . . . 75 GLU CB . 52589 1 270 . 1 . 1 77 77 GLU N N 15 121.708 0.3 . 1 . . . . . 75 GLU N . 52589 1 271 . 1 . 1 78 78 ASN H H 1 8.364 0.020 . 1 . . . . . 76 ASN H . 52589 1 272 . 1 . 1 78 78 ASN CA C 13 53.600 0.3 . 1 . . . . . 76 ASN CA . 52589 1 273 . 1 . 1 78 78 ASN CB C 13 38.530 0.3 . 1 . . . . . 76 ASN CB . 52589 1 274 . 1 . 1 78 78 ASN N N 15 118.204 0.3 . 1 . . . . . 76 ASN N . 52589 1 275 . 1 . 1 79 79 GLN H H 1 8.148 0.020 . 1 . . . . . 77 GLN H . 52589 1 276 . 1 . 1 79 79 GLN CA C 13 56.121 0.3 . 1 . . . . . 77 GLN CA . 52589 1 277 . 1 . 1 79 79 GLN CB C 13 29.225 0.3 . 1 . . . . . 77 GLN CB . 52589 1 278 . 1 . 1 79 79 GLN N N 15 119.637 0.3 . 1 . . . . . 77 GLN N . 52589 1 279 . 1 . 1 80 80 LEU H H 1 8.096 0.020 . 1 . . . . . 78 LEU H . 52589 1 280 . 1 . 1 80 80 LEU CA C 13 55.291 0.3 . 1 . . . . . 78 LEU CA . 52589 1 281 . 1 . 1 80 80 LEU CB C 13 42.193 0.3 . 1 . . . . . 78 LEU CB . 52589 1 282 . 1 . 1 80 80 LEU N N 15 121.925 0.3 . 1 . . . . . 78 LEU N . 52589 1 283 . 1 . 1 81 81 VAL H H 1 7.947 0.020 . 1 . . . . . 79 VAL H . 52589 1 284 . 1 . 1 81 81 VAL CA C 13 62.279 0.3 . 1 . . . . . 79 VAL CA . 52589 1 285 . 1 . 1 81 81 VAL CB C 13 32.742 0.3 . 1 . . . . . 79 VAL CB . 52589 1 286 . 1 . 1 81 81 VAL N N 15 119.749 0.3 . 1 . . . . . 79 VAL N . 52589 1 287 . 1 . 1 82 82 ALA H H 1 8.168 0.020 . 1 . . . . . 80 ALA H . 52589 1 288 . 1 . 1 82 82 ALA CA C 13 52.065 0.3 . 1 . . . . . 80 ALA CA . 52589 1 289 . 1 . 1 82 82 ALA CB C 13 19.292 0.3 . 1 . . . . . 80 ALA CB . 52589 1 290 . 1 . 1 82 82 ALA N N 15 126.208 0.3 . 1 . . . . . 80 ALA N . 52589 1 291 . 1 . 1 83 83 LEU H H 1 8.060 0.020 . 1 . . . . . 81 LEU H . 52589 1 292 . 1 . 1 83 83 LEU CA C 13 54.960 0.3 . 1 . . . . . 81 LEU CA . 52589 1 293 . 1 . 1 83 83 LEU CB C 13 42.253 0.3 . 1 . . . . . 81 LEU CB . 52589 1 294 . 1 . 1 83 83 LEU N N 15 120.867 0.3 . 1 . . . . . 81 LEU N . 52589 1 295 . 1 . 1 84 84 ILE H H 1 8.031 0.020 . 1 . . . . . 82 ILE H . 52589 1 296 . 1 . 1 84 84 ILE CA C 13 58.403 0.3 . 1 . . . . . 82 ILE CA . 52589 1 297 . 1 . 1 84 84 ILE CB C 13 38.470 0.3 . 1 . . . . . 82 ILE CB . 52589 1 298 . 1 . 1 84 84 ILE N N 15 123.035 0.3 . 1 . . . . . 82 ILE N . 52589 1 299 . 1 . 1 87 87 SER H H 1 8.069 0.020 . 1 . . . . . 85 SER H . 52589 1 300 . 1 . 1 87 87 SER CA C 13 58.337 0.3 . 1 . . . . . 85 SER CA . 52589 1 301 . 1 . 1 87 87 SER CB C 13 63.750 0.3 . 1 . . . . . 85 SER CB . 52589 1 302 . 1 . 1 87 87 SER N N 15 116.451 0.3 . 1 . . . . . 85 SER N . 52589 1 303 . 1 . 1 88 88 ASP H H 1 8.229 0.020 . 1 . . . . . 86 ASP H . 52589 1 304 . 1 . 1 88 88 ASP CA C 13 54.412 0.3 . 1 . . . . . 86 ASP CA . 52589 1 305 . 1 . 1 88 88 ASP CB C 13 41.055 0.3 . 1 . . . . . 86 ASP CB . 52589 1 306 . 1 . 1 88 88 ASP N N 15 122.508 0.3 . 1 . . . . . 86 ASP N . 52589 1 307 . 1 . 1 89 89 GLN H H 1 8.338 0.020 . 1 . . . . . 87 GLN H . 52589 1 308 . 1 . 1 89 89 GLN CA C 13 56.709 0.3 . 1 . . . . . 87 GLN CA . 52589 1 309 . 1 . 1 89 89 GLN CB C 13 28.800 0.3 . 1 . . . . . 87 GLN CB . 52589 1 310 . 1 . 1 89 89 GLN N N 15 121.030 0.3 . 1 . . . . . 87 GLN N . 52589 1 311 . 1 . 1 90 90 ARG H H 1 8.270 0.020 . 1 . . . . . 88 ARG H . 52589 1 312 . 1 . 1 90 90 ARG CA C 13 56.753 0.3 . 1 . . . . . 88 ARG CA . 52589 1 313 . 1 . 1 90 90 ARG CB C 13 30.330 0.3 . 1 . . . . . 88 ARG CB . 52589 1 314 . 1 . 1 90 90 ARG N N 15 120.045 0.3 . 1 . . . . . 88 ARG N . 52589 1 315 . 1 . 1 91 91 LEU H H 1 7.891 0.020 . 1 . . . . . 89 LEU H . 52589 1 316 . 1 . 1 91 91 LEU CA C 13 55.207 0.3 . 1 . . . . . 89 LEU CA . 52589 1 317 . 1 . 1 91 91 LEU CB C 13 42.274 0.3 . 1 . . . . . 89 LEU CB . 52589 1 318 . 1 . 1 91 91 LEU N N 15 121.155 0.3 . 1 . . . . . 89 LEU N . 52589 1 319 . 1 . 1 92 92 ARG H H 1 7.947 0.020 . 1 . . . . . 90 ARG H . 52589 1 320 . 1 . 1 92 92 ARG CA C 13 53.248 0.3 . 1 . . . . . 90 ARG CA . 52589 1 321 . 1 . 1 92 92 ARG CB C 13 31.588 0.3 . 1 . . . . . 90 ARG CB . 52589 1 322 . 1 . 1 92 92 ARG N N 15 120.433 0.3 . 1 . . . . . 90 ARG N . 52589 1 323 . 1 . 1 94 94 ARG H H 1 8.470 0.020 . 1 . . . . . 92 ARG H . 52589 1 324 . 1 . 1 94 94 ARG CA C 13 55.925 0.3 . 1 . . . . . 92 ARG CA . 52589 1 325 . 1 . 1 94 94 ARG CB C 13 30.859 0.3 . 1 . . . . . 92 ARG CB . 52589 1 326 . 1 . 1 94 94 ARG N N 15 121.670 0.3 . 1 . . . . . 92 ARG N . 52589 1 327 . 1 . 1 95 95 ARG H H 1 8.491 0.020 . 1 . . . . . 93 ARG H . 52589 1 328 . 1 . 1 95 95 ARG CA C 13 55.923 0.3 . 1 . . . . . 93 ARG CA . 52589 1 329 . 1 . 1 95 95 ARG CB C 13 30.919 0.3 . 1 . . . . . 93 ARG CB . 52589 1 330 . 1 . 1 95 95 ARG N N 15 122.739 0.3 . 1 . . . . . 93 ARG N . 52589 1 331 . 1 . 1 96 96 THR H H 1 8.279 0.020 . 1 . . . . . 94 THR H . 52589 1 332 . 1 . 1 96 96 THR CA C 13 61.685 0.3 . 1 . . . . . 94 THR CA . 52589 1 333 . 1 . 1 96 96 THR CB C 13 69.866 0.3 . 1 . . . . . 94 THR CB . 52589 1 334 . 1 . 1 96 96 THR N N 15 115.727 0.3 . 1 . . . . . 94 THR N . 52589 1 335 . 1 . 1 97 97 LYS H H 1 7.964 0.020 . 1 . . . . . 95 LYS H . 52589 1 336 . 1 . 1 97 97 LYS CA C 13 57.925 0.3 . 1 . . . . . 95 LYS CA . 52589 1 337 . 1 . 1 97 97 LYS CB C 13 33.566 0.3 . 1 . . . . . 95 LYS CB . 52589 1 338 . 1 . 1 97 97 LYS N N 15 127.934 0.3 . 1 . . . . . 95 LYS N . 52589 1 stop_ save_