data_25707 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25707 _Entry.Title ; Methyl resonances of ubiquitin in complex with R0RBR domain (141-465) of parkin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-14 _Entry.Accession_date 2015-07-14 _Entry.Last_release_date 2015-08-14 _Entry.Original_release_date 2015-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Gary Shaw . S. . . 25707 2 Tara Condos . E.C. . . 25707 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25707 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 45 25707 '1H chemical shifts' 133 25707 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 2 . . 2016-08-09 2015-07-14 update BMRB 'update entry citation' 25707 1 . . 2015-08-14 2015-07-14 original author 'original release' 25707 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25708 'Ub S65E' 25707 BMRB 25709 'Ub S65E in complex with parkin R0RBR' 25707 BMRB 4769 'Backbone 1H, 13C and 15N assignments for yeast ubiquitin at pH 7.5' 25707 PDB 5C1Z . 25707 PDB 5C23 . 25707 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25707 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26254304 _Citation.Full_citation . _Citation.Title ; Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 34 _Citation.Journal_issue 20 _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 2506 _Citation.Page_last 2521 _Citation.Year 2015 _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 Atul Kumar . . . . 25707 1 2 Jacob Aguirre . D. . . 25707 1 3 Tara Condos . EC . . 25707 1 4 'R. Julio' Martinez-Torres . . . . 25707 1 5 Viduth Chaugule . K. . . 25707 1 6 Rachel Toth . . . . 25707 1 7 Ramasubramanian Sundaramoorthy . . . . 25707 1 8 Pascal Mercier . . . . 25707 1 9 Axel Knebel . . . . 25707 1 10 Donald Spratt . E. . . 25707 1 11 Kathryn Barber . R. . . 25707 1 12 Gary Shaw . S. . . 25707 1 13 Helen Walden . . . . 25707 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25707 _Assembly.ID 1 _Assembly.Name 'Ub in complex with parkin R0RBR' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 Ub 1 $Ub A . yes native no no . . . 25707 1 2 'parkin R0RBR' 2 $Parkin_R0RBR_(141-465) A . no native no no . . . 25707 1 3 'ZINC ION 1' 3 $entity_ZN B . no native no no . . . 25707 1 4 'ZINC ION 2' 3 $entity_ZN B . no native no no . . . 25707 1 5 'ZINC ION 3' 3 $entity_ZN B . no native no no . . . 25707 1 6 'ZINC ION 4' 3 $entity_ZN B . no native no no . . . 25707 1 7 'ZINC ION 5' 3 $entity_ZN B . no native no no . . . 25707 1 8 'ZINC ION 6' 3 $entity_ZN B . no native no no . . . 25707 1 9 'ZINC ION 7' 3 $entity_ZN B . no native no no . . . 25707 1 10 'ZINC ION 8' 3 $entity_ZN B . no native no no . . . 25707 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 'parkin R0RBR' 2 CYS 10 10 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 150 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 2 coordination single . 2 'parkin R0RBR' 2 CYS 14 14 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 154 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 3 coordination single . 2 'parkin R0RBR' 2 CYS 26 26 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 166 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 4 coordination single . 2 'parkin R0RBR' 2 CYS 29 29 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 169 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 5 coordination single . 2 'parkin R0RBR' 2 CYS 56 56 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 196 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 6 coordination single . 2 'parkin R0RBR' 2 CYS 61 61 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 201 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 7 coordination single . 2 'parkin R0RBR' 2 CYS 72 72 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 212 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 8 coordination single . 2 'parkin R0RBR' 2 CYS 98 98 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 238 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 9 coordination single . 2 'parkin R0RBR' 2 CYS 101 101 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 241 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 10 coordination single . 2 'parkin R0RBR' 2 CYS 113 113 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 253 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 11 coordination single . 2 'parkin R0RBR' 2 CYS 120 120 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 260 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 12 coordination single . 2 'parkin R0RBR' 2 CYS 123 123 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 263 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 13 coordination single . 2 'parkin R0RBR' 2 CYS 149 149 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 289 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 14 coordination single . 2 'parkin R0RBR' 2 CYS 153 153 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 293 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 15 coordination single . 2 'parkin R0RBR' 2 CYS 192 192 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 332 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 16 coordination single . 2 'parkin R0RBR' 2 CYS 197 197 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 337 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 17 coordination single . 2 'parkin R0RBR' 2 CYS 212 212 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 352 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 18 coordination single . 2 'parkin R0RBR' 2 CYS 220 220 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 360 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 19 coordination single . 2 'parkin R0RBR' 2 CYS 225 225 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 365 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 20 coordination single . 2 'parkin R0RBR' 2 CYS 228 228 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 368 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 21 coordination single . 2 'parkin R0RBR' 2 CYS 237 237 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 377 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 22 coordination single . 2 'parkin R0RBR' 2 CYS 278 278 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 418 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 23 coordination single . 2 'parkin R0RBR' 2 CYS 281 281 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 421 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 24 coordination single . 2 'parkin R0RBR' 2 CYS 296 296 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 436 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 25 coordination single . 2 'parkin R0RBR' 2 CYS 301 301 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 441 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 26 coordination single . 2 'parkin R0RBR' 2 CYS 306 306 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 446 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 27 coordination single . 2 'parkin R0RBR' 2 CYS 309 309 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 449 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 28 coordination single . 2 'parkin R0RBR' 2 CYS 317 317 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . 'parkin R0RBR' 457 CYS SG . 'ZINC ION' 1 ZN ZN 25707 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5C1Z . . 'X-ray crystallography' . 'Structure used for Ub docking to parkin' . 25707 1 yes PDB 5C23 . . 'X-ray crystallography' . 'Structure used for Ub docking to parkin' . 25707 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ub _Entity.Sf_category entity _Entity.Sf_framecode Ub _Entity.Entry_ID 25707 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ub _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 ; SNAMQIFVKTLTGKTITLEV ESSDTIDNVKSKIQDKEGIP PDQQRLIFAGKQLEDGRTLS DYNIQKESTLHLVLRLRGG ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 SER . 25707 1 2 -1 ASN . 25707 1 3 0 ALA . 25707 1 4 1 MET . 25707 1 5 2 GLN . 25707 1 6 3 ILE . 25707 1 7 4 PHE . 25707 1 8 5 VAL . 25707 1 9 6 LYS . 25707 1 10 7 THR . 25707 1 11 8 LEU . 25707 1 12 9 THR . 25707 1 13 10 GLY . 25707 1 14 11 LYS . 25707 1 15 12 THR . 25707 1 16 13 ILE . 25707 1 17 14 THR . 25707 1 18 15 LEU . 25707 1 19 16 GLU . 25707 1 20 17 VAL . 25707 1 21 18 GLU . 25707 1 22 19 SER . 25707 1 23 20 SER . 25707 1 24 21 ASP . 25707 1 25 22 THR . 25707 1 26 23 ILE . 25707 1 27 24 ASP . 25707 1 28 25 ASN . 25707 1 29 26 VAL . 25707 1 30 27 LYS . 25707 1 31 28 SER . 25707 1 32 29 LYS . 25707 1 33 30 ILE . 25707 1 34 31 GLN . 25707 1 35 32 ASP . 25707 1 36 33 LYS . 25707 1 37 34 GLU . 25707 1 38 35 GLY . 25707 1 39 36 ILE . 25707 1 40 37 PRO . 25707 1 41 38 PRO . 25707 1 42 39 ASP . 25707 1 43 40 GLN . 25707 1 44 41 GLN . 25707 1 45 42 ARG . 25707 1 46 43 LEU . 25707 1 47 44 ILE . 25707 1 48 45 PHE . 25707 1 49 46 ALA . 25707 1 50 47 GLY . 25707 1 51 48 LYS . 25707 1 52 49 GLN . 25707 1 53 50 LEU . 25707 1 54 51 GLU . 25707 1 55 52 ASP . 25707 1 56 53 GLY . 25707 1 57 54 ARG . 25707 1 58 55 THR . 25707 1 59 56 LEU . 25707 1 60 57 SER . 25707 1 61 58 ASP . 25707 1 62 59 TYR . 25707 1 63 60 ASN . 25707 1 64 61 ILE . 25707 1 65 62 GLN . 25707 1 66 63 LYS . 25707 1 67 64 GLU . 25707 1 68 65 SER . 25707 1 69 66 THR . 25707 1 70 67 LEU . 25707 1 71 68 HIS . 25707 1 72 69 LEU . 25707 1 73 70 VAL . 25707 1 74 71 LEU . 25707 1 75 72 ARG . 25707 1 76 73 LEU . 25707 1 77 74 ARG . 25707 1 78 75 GLY . 25707 1 79 76 GLY . 25707 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 . SER 1 1 25707 1 . ASN 2 2 25707 1 . ALA 3 3 25707 1 . MET 4 4 25707 1 . GLN 5 5 25707 1 . ILE 6 6 25707 1 . PHE 7 7 25707 1 . VAL 8 8 25707 1 . LYS 9 9 25707 1 . THR 10 10 25707 1 . LEU 11 11 25707 1 . THR 12 12 25707 1 . GLY 13 13 25707 1 . LYS 14 14 25707 1 . THR 15 15 25707 1 . ILE 16 16 25707 1 . THR 17 17 25707 1 . LEU 18 18 25707 1 . GLU 19 19 25707 1 . VAL 20 20 25707 1 . GLU 21 21 25707 1 . SER 22 22 25707 1 . SER 23 23 25707 1 . ASP 24 24 25707 1 . THR 25 25 25707 1 . ILE 26 26 25707 1 . ASP 27 27 25707 1 . ASN 28 28 25707 1 . VAL 29 29 25707 1 . LYS 30 30 25707 1 . SER 31 31 25707 1 . LYS 32 32 25707 1 . ILE 33 33 25707 1 . GLN 34 34 25707 1 . ASP 35 35 25707 1 . LYS 36 36 25707 1 . GLU 37 37 25707 1 . GLY 38 38 25707 1 . ILE 39 39 25707 1 . PRO 40 40 25707 1 . PRO 41 41 25707 1 . ASP 42 42 25707 1 . GLN 43 43 25707 1 . GLN 44 44 25707 1 . ARG 45 45 25707 1 . LEU 46 46 25707 1 . ILE 47 47 25707 1 . PHE 48 48 25707 1 . ALA 49 49 25707 1 . GLY 50 50 25707 1 . LYS 51 51 25707 1 . GLN 52 52 25707 1 . LEU 53 53 25707 1 . GLU 54 54 25707 1 . ASP 55 55 25707 1 . GLY 56 56 25707 1 . ARG 57 57 25707 1 . THR 58 58 25707 1 . LEU 59 59 25707 1 . SER 60 60 25707 1 . ASP 61 61 25707 1 . TYR 62 62 25707 1 . ASN 63 63 25707 1 . ILE 64 64 25707 1 . GLN 65 65 25707 1 . LYS 66 66 25707 1 . GLU 67 67 25707 1 . SER 68 68 25707 1 . THR 69 69 25707 1 . LEU 70 70 25707 1 . HIS 71 71 25707 1 . LEU 72 72 25707 1 . VAL 73 73 25707 1 . LEU 74 74 25707 1 . ARG 75 75 25707 1 . LEU 76 76 25707 1 . ARG 77 77 25707 1 . GLY 78 78 25707 1 . GLY 79 79 25707 1 stop_ save_ save_Parkin_R0RBR_(141-465) _Entity.Sf_category entity _Entity.Sf_framecode Parkin_R0RBR_(141-465) _Entity.Entry_ID 25707 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Parkin_R0RBR_(141-465) _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 ; SIYNSFYVYCKGPCQRVQPG KLRVQCSTCRQATLTLTQGP SCWDDVLIPNRMSGECQSPH CPGTSAEFFFKCGAHPTSDK ETSVALHLIATNSRNITCIT CTDVRSPVLVFQCNSRHVIC LDCFHLYCVTRLNDRQFVHD PQLGYSLPCVAGCPNSLIKE LHHFRILGEEQYNRYQQYGA EECVLQMGGVLCPRPGCGAG LLPEPDQRKVTCEGGNGLGC GFAFCRECKEAYHEGECSAV FEASGTTTQAYRVDERAAEQ ARWEAASKETIKKTTKPCPR CHVPVEKNGGCMHMKCPQPQ CRLEWCWNCGCEWNRVCMGD HWFDV ; _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 325 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 '8 zinc atoms coordinated by cysteines' _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 1 141 SER . 25707 2 2 142 ILE . 25707 2 3 143 TYR . 25707 2 4 144 ASN . 25707 2 5 145 SER . 25707 2 6 146 PHE . 25707 2 7 147 TYR . 25707 2 8 148 VAL . 25707 2 9 149 TYR . 25707 2 10 150 CYS . 25707 2 11 151 LYS . 25707 2 12 152 GLY . 25707 2 13 153 PRO . 25707 2 14 154 CYS . 25707 2 15 155 GLN . 25707 2 16 156 ARG . 25707 2 17 157 VAL . 25707 2 18 158 GLN . 25707 2 19 159 PRO . 25707 2 20 160 GLY . 25707 2 21 161 LYS . 25707 2 22 162 LEU . 25707 2 23 163 ARG . 25707 2 24 164 VAL . 25707 2 25 165 GLN . 25707 2 26 166 CYS . 25707 2 27 167 SER . 25707 2 28 168 THR . 25707 2 29 169 CYS . 25707 2 30 170 ARG . 25707 2 31 171 GLN . 25707 2 32 172 ALA . 25707 2 33 173 THR . 25707 2 34 174 LEU . 25707 2 35 175 THR . 25707 2 36 176 LEU . 25707 2 37 177 THR . 25707 2 38 178 GLN . 25707 2 39 179 GLY . 25707 2 40 180 PRO . 25707 2 41 181 SER . 25707 2 42 182 CYS . 25707 2 43 183 TRP . 25707 2 44 184 ASP . 25707 2 45 185 ASP . 25707 2 46 186 VAL . 25707 2 47 187 LEU . 25707 2 48 188 ILE . 25707 2 49 189 PRO . 25707 2 50 190 ASN . 25707 2 51 191 ARG . 25707 2 52 192 MET . 25707 2 53 193 SER . 25707 2 54 194 GLY . 25707 2 55 195 GLU . 25707 2 56 196 CYS . 25707 2 57 197 GLN . 25707 2 58 198 SER . 25707 2 59 199 PRO . 25707 2 60 200 HIS . 25707 2 61 201 CYS . 25707 2 62 202 PRO . 25707 2 63 203 GLY . 25707 2 64 204 THR . 25707 2 65 205 SER . 25707 2 66 206 ALA . 25707 2 67 207 GLU . 25707 2 68 208 PHE . 25707 2 69 209 PHE . 25707 2 70 210 PHE . 25707 2 71 211 LYS . 25707 2 72 212 CYS . 25707 2 73 213 GLY . 25707 2 74 214 ALA . 25707 2 75 215 HIS . 25707 2 76 216 PRO . 25707 2 77 217 THR . 25707 2 78 218 SER . 25707 2 79 219 ASP . 25707 2 80 220 LYS . 25707 2 81 221 GLU . 25707 2 82 222 THR . 25707 2 83 223 SER . 25707 2 84 224 VAL . 25707 2 85 225 ALA . 25707 2 86 226 LEU . 25707 2 87 227 HIS . 25707 2 88 228 LEU . 25707 2 89 229 ILE . 25707 2 90 230 ALA . 25707 2 91 231 THR . 25707 2 92 232 ASN . 25707 2 93 233 SER . 25707 2 94 234 ARG . 25707 2 95 235 ASN . 25707 2 96 236 ILE . 25707 2 97 237 THR . 25707 2 98 238 CYS . 25707 2 99 239 ILE . 25707 2 100 240 THR . 25707 2 101 241 CYS . 25707 2 102 242 THR . 25707 2 103 243 ASP . 25707 2 104 244 VAL . 25707 2 105 245 ARG . 25707 2 106 246 SER . 25707 2 107 247 PRO . 25707 2 108 248 VAL . 25707 2 109 249 LEU . 25707 2 110 250 VAL . 25707 2 111 251 PHE . 25707 2 112 252 GLN . 25707 2 113 253 CYS . 25707 2 114 254 ASN . 25707 2 115 255 SER . 25707 2 116 256 ARG . 25707 2 117 257 HIS . 25707 2 118 258 VAL . 25707 2 119 259 ILE . 25707 2 120 260 CYS . 25707 2 121 261 LEU . 25707 2 122 262 ASP . 25707 2 123 263 CYS . 25707 2 124 264 PHE . 25707 2 125 265 HIS . 25707 2 126 266 LEU . 25707 2 127 267 TYR . 25707 2 128 268 CYS . 25707 2 129 269 VAL . 25707 2 130 270 THR . 25707 2 131 271 ARG . 25707 2 132 272 LEU . 25707 2 133 273 ASN . 25707 2 134 274 ASP . 25707 2 135 275 ARG . 25707 2 136 276 GLN . 25707 2 137 277 PHE . 25707 2 138 278 VAL . 25707 2 139 279 HIS . 25707 2 140 280 ASP . 25707 2 141 281 PRO . 25707 2 142 282 GLN . 25707 2 143 283 LEU . 25707 2 144 284 GLY . 25707 2 145 285 TYR . 25707 2 146 286 SER . 25707 2 147 287 LEU . 25707 2 148 288 PRO . 25707 2 149 289 CYS . 25707 2 150 290 VAL . 25707 2 151 291 ALA . 25707 2 152 292 GLY . 25707 2 153 293 CYS . 25707 2 154 294 PRO . 25707 2 155 295 ASN . 25707 2 156 296 SER . 25707 2 157 297 LEU . 25707 2 158 298 ILE . 25707 2 159 299 LYS . 25707 2 160 300 GLU . 25707 2 161 301 LEU . 25707 2 162 302 HIS . 25707 2 163 303 HIS . 25707 2 164 304 PHE . 25707 2 165 305 ARG . 25707 2 166 306 ILE . 25707 2 167 307 LEU . 25707 2 168 308 GLY . 25707 2 169 309 GLU . 25707 2 170 310 GLU . 25707 2 171 311 GLN . 25707 2 172 312 TYR . 25707 2 173 313 ASN . 25707 2 174 314 ARG . 25707 2 175 315 TYR . 25707 2 176 316 GLN . 25707 2 177 317 GLN . 25707 2 178 318 TYR . 25707 2 179 319 GLY . 25707 2 180 320 ALA . 25707 2 181 321 GLU . 25707 2 182 322 GLU . 25707 2 183 323 CYS . 25707 2 184 324 VAL . 25707 2 185 325 LEU . 25707 2 186 326 GLN . 25707 2 187 327 MET . 25707 2 188 328 GLY . 25707 2 189 329 GLY . 25707 2 190 330 VAL . 25707 2 191 331 LEU . 25707 2 192 332 CYS . 25707 2 193 333 PRO . 25707 2 194 334 ARG . 25707 2 195 335 PRO . 25707 2 196 336 GLY . 25707 2 197 337 CYS . 25707 2 198 338 GLY . 25707 2 199 339 ALA . 25707 2 200 340 GLY . 25707 2 201 341 LEU . 25707 2 202 342 LEU . 25707 2 203 343 PRO . 25707 2 204 344 GLU . 25707 2 205 345 PRO . 25707 2 206 346 ASP . 25707 2 207 347 GLN . 25707 2 208 348 ARG . 25707 2 209 349 LYS . 25707 2 210 350 VAL . 25707 2 211 351 THR . 25707 2 212 352 CYS . 25707 2 213 353 GLU . 25707 2 214 354 GLY . 25707 2 215 355 GLY . 25707 2 216 356 ASN . 25707 2 217 357 GLY . 25707 2 218 358 LEU . 25707 2 219 359 GLY . 25707 2 220 360 CYS . 25707 2 221 361 GLY . 25707 2 222 362 PHE . 25707 2 223 363 ALA . 25707 2 224 364 PHE . 25707 2 225 365 CYS . 25707 2 226 366 ARG . 25707 2 227 367 GLU . 25707 2 228 368 CYS . 25707 2 229 369 LYS . 25707 2 230 370 GLU . 25707 2 231 371 ALA . 25707 2 232 372 TYR . 25707 2 233 373 HIS . 25707 2 234 374 GLU . 25707 2 235 375 GLY . 25707 2 236 376 GLU . 25707 2 237 377 CYS . 25707 2 238 378 SER . 25707 2 239 379 ALA . 25707 2 240 380 VAL . 25707 2 241 381 PHE . 25707 2 242 382 GLU . 25707 2 243 383 ALA . 25707 2 244 384 SER . 25707 2 245 385 GLY . 25707 2 246 386 THR . 25707 2 247 387 THR . 25707 2 248 388 THR . 25707 2 249 389 GLN . 25707 2 250 390 ALA . 25707 2 251 391 TYR . 25707 2 252 392 ARG . 25707 2 253 393 VAL . 25707 2 254 394 ASP . 25707 2 255 395 GLU . 25707 2 256 396 ARG . 25707 2 257 397 ALA . 25707 2 258 398 ALA . 25707 2 259 399 GLU . 25707 2 260 400 GLN . 25707 2 261 401 ALA . 25707 2 262 402 ARG . 25707 2 263 403 TRP . 25707 2 264 404 GLU . 25707 2 265 405 ALA . 25707 2 266 406 ALA . 25707 2 267 407 SER . 25707 2 268 408 LYS . 25707 2 269 409 GLU . 25707 2 270 410 THR . 25707 2 271 411 ILE . 25707 2 272 412 LYS . 25707 2 273 413 LYS . 25707 2 274 414 THR . 25707 2 275 415 THR . 25707 2 276 416 LYS . 25707 2 277 417 PRO . 25707 2 278 418 CYS . 25707 2 279 419 PRO . 25707 2 280 420 ARG . 25707 2 281 421 CYS . 25707 2 282 422 HIS . 25707 2 283 423 VAL . 25707 2 284 424 PRO . 25707 2 285 425 VAL . 25707 2 286 426 GLU . 25707 2 287 427 LYS . 25707 2 288 428 ASN . 25707 2 289 429 GLY . 25707 2 290 430 GLY . 25707 2 291 431 CYS . 25707 2 292 432 MET . 25707 2 293 433 HIS . 25707 2 294 434 MET . 25707 2 295 435 LYS . 25707 2 296 436 CYS . 25707 2 297 437 PRO . 25707 2 298 438 GLN . 25707 2 299 439 PRO . 25707 2 300 440 GLN . 25707 2 301 441 CYS . 25707 2 302 442 ARG . 25707 2 303 443 LEU . 25707 2 304 444 GLU . 25707 2 305 445 TRP . 25707 2 306 446 CYS . 25707 2 307 447 TRP . 25707 2 308 448 ASN . 25707 2 309 449 CYS . 25707 2 310 450 GLY . 25707 2 311 451 CYS . 25707 2 312 452 GLU . 25707 2 313 453 TRP . 25707 2 314 454 ASN . 25707 2 315 455 ARG . 25707 2 316 456 VAL . 25707 2 317 457 CYS . 25707 2 318 458 MET . 25707 2 319 459 GLY . 25707 2 320 460 ASP . 25707 2 321 461 HIS . 25707 2 322 462 TRP . 25707 2 323 463 PHE . 25707 2 324 464 ASP . 25707 2 325 465 VAL . 25707 2 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 . SER 1 1 25707 2 . ILE 2 2 25707 2 . TYR 3 3 25707 2 . ASN 4 4 25707 2 . SER 5 5 25707 2 . PHE 6 6 25707 2 . TYR 7 7 25707 2 . VAL 8 8 25707 2 . TYR 9 9 25707 2 . CYS 10 10 25707 2 . LYS 11 11 25707 2 . GLY 12 12 25707 2 . PRO 13 13 25707 2 . CYS 14 14 25707 2 . GLN 15 15 25707 2 . ARG 16 16 25707 2 . VAL 17 17 25707 2 . GLN 18 18 25707 2 . PRO 19 19 25707 2 . GLY 20 20 25707 2 . LYS 21 21 25707 2 . LEU 22 22 25707 2 . ARG 23 23 25707 2 . VAL 24 24 25707 2 . GLN 25 25 25707 2 . CYS 26 26 25707 2 . SER 27 27 25707 2 . THR 28 28 25707 2 . CYS 29 29 25707 2 . ARG 30 30 25707 2 . GLN 31 31 25707 2 . ALA 32 32 25707 2 . THR 33 33 25707 2 . LEU 34 34 25707 2 . THR 35 35 25707 2 . LEU 36 36 25707 2 . THR 37 37 25707 2 . GLN 38 38 25707 2 . GLY 39 39 25707 2 . PRO 40 40 25707 2 . SER 41 41 25707 2 . CYS 42 42 25707 2 . TRP 43 43 25707 2 . ASP 44 44 25707 2 . ASP 45 45 25707 2 . VAL 46 46 25707 2 . LEU 47 47 25707 2 . ILE 48 48 25707 2 . PRO 49 49 25707 2 . ASN 50 50 25707 2 . ARG 51 51 25707 2 . MET 52 52 25707 2 . SER 53 53 25707 2 . GLY 54 54 25707 2 . GLU 55 55 25707 2 . CYS 56 56 25707 2 . GLN 57 57 25707 2 . SER 58 58 25707 2 . PRO 59 59 25707 2 . HIS 60 60 25707 2 . CYS 61 61 25707 2 . PRO 62 62 25707 2 . GLY 63 63 25707 2 . THR 64 64 25707 2 . SER 65 65 25707 2 . ALA 66 66 25707 2 . GLU 67 67 25707 2 . PHE 68 68 25707 2 . PHE 69 69 25707 2 . PHE 70 70 25707 2 . LYS 71 71 25707 2 . CYS 72 72 25707 2 . GLY 73 73 25707 2 . ALA 74 74 25707 2 . HIS 75 75 25707 2 . PRO 76 76 25707 2 . THR 77 77 25707 2 . SER 78 78 25707 2 . ASP 79 79 25707 2 . LYS 80 80 25707 2 . GLU 81 81 25707 2 . THR 82 82 25707 2 . SER 83 83 25707 2 . VAL 84 84 25707 2 . ALA 85 85 25707 2 . LEU 86 86 25707 2 . HIS 87 87 25707 2 . LEU 88 88 25707 2 . ILE 89 89 25707 2 . ALA 90 90 25707 2 . THR 91 91 25707 2 . ASN 92 92 25707 2 . SER 93 93 25707 2 . ARG 94 94 25707 2 . ASN 95 95 25707 2 . ILE 96 96 25707 2 . THR 97 97 25707 2 . CYS 98 98 25707 2 . ILE 99 99 25707 2 . THR 100 100 25707 2 . CYS 101 101 25707 2 . THR 102 102 25707 2 . ASP 103 103 25707 2 . VAL 104 104 25707 2 . ARG 105 105 25707 2 . SER 106 106 25707 2 . PRO 107 107 25707 2 . VAL 108 108 25707 2 . LEU 109 109 25707 2 . VAL 110 110 25707 2 . PHE 111 111 25707 2 . GLN 112 112 25707 2 . CYS 113 113 25707 2 . ASN 114 114 25707 2 . SER 115 115 25707 2 . ARG 116 116 25707 2 . HIS 117 117 25707 2 . VAL 118 118 25707 2 . ILE 119 119 25707 2 . CYS 120 120 25707 2 . LEU 121 121 25707 2 . ASP 122 122 25707 2 . CYS 123 123 25707 2 . PHE 124 124 25707 2 . HIS 125 125 25707 2 . LEU 126 126 25707 2 . TYR 127 127 25707 2 . CYS 128 128 25707 2 . VAL 129 129 25707 2 . THR 130 130 25707 2 . ARG 131 131 25707 2 . LEU 132 132 25707 2 . ASN 133 133 25707 2 . ASP 134 134 25707 2 . ARG 135 135 25707 2 . GLN 136 136 25707 2 . PHE 137 137 25707 2 . VAL 138 138 25707 2 . HIS 139 139 25707 2 . ASP 140 140 25707 2 . PRO 141 141 25707 2 . GLN 142 142 25707 2 . LEU 143 143 25707 2 . GLY 144 144 25707 2 . TYR 145 145 25707 2 . SER 146 146 25707 2 . LEU 147 147 25707 2 . PRO 148 148 25707 2 . CYS 149 149 25707 2 . VAL 150 150 25707 2 . ALA 151 151 25707 2 . GLY 152 152 25707 2 . CYS 153 153 25707 2 . PRO 154 154 25707 2 . ASN 155 155 25707 2 . SER 156 156 25707 2 . LEU 157 157 25707 2 . ILE 158 158 25707 2 . LYS 159 159 25707 2 . GLU 160 160 25707 2 . LEU 161 161 25707 2 . HIS 162 162 25707 2 . HIS 163 163 25707 2 . PHE 164 164 25707 2 . ARG 165 165 25707 2 . ILE 166 166 25707 2 . LEU 167 167 25707 2 . GLY 168 168 25707 2 . GLU 169 169 25707 2 . GLU 170 170 25707 2 . GLN 171 171 25707 2 . TYR 172 172 25707 2 . ASN 173 173 25707 2 . ARG 174 174 25707 2 . TYR 175 175 25707 2 . GLN 176 176 25707 2 . GLN 177 177 25707 2 . TYR 178 178 25707 2 . GLY 179 179 25707 2 . ALA 180 180 25707 2 . GLU 181 181 25707 2 . GLU 182 182 25707 2 . CYS 183 183 25707 2 . VAL 184 184 25707 2 . LEU 185 185 25707 2 . GLN 186 186 25707 2 . MET 187 187 25707 2 . GLY 188 188 25707 2 . GLY 189 189 25707 2 . VAL 190 190 25707 2 . LEU 191 191 25707 2 . CYS 192 192 25707 2 . PRO 193 193 25707 2 . ARG 194 194 25707 2 . PRO 195 195 25707 2 . GLY 196 196 25707 2 . CYS 197 197 25707 2 . GLY 198 198 25707 2 . ALA 199 199 25707 2 . GLY 200 200 25707 2 . LEU 201 201 25707 2 . LEU 202 202 25707 2 . PRO 203 203 25707 2 . GLU 204 204 25707 2 . PRO 205 205 25707 2 . ASP 206 206 25707 2 . GLN 207 207 25707 2 . ARG 208 208 25707 2 . LYS 209 209 25707 2 . VAL 210 210 25707 2 . THR 211 211 25707 2 . CYS 212 212 25707 2 . GLU 213 213 25707 2 . GLY 214 214 25707 2 . GLY 215 215 25707 2 . ASN 216 216 25707 2 . GLY 217 217 25707 2 . LEU 218 218 25707 2 . GLY 219 219 25707 2 . CYS 220 220 25707 2 . GLY 221 221 25707 2 . PHE 222 222 25707 2 . ALA 223 223 25707 2 . PHE 224 224 25707 2 . CYS 225 225 25707 2 . ARG 226 226 25707 2 . GLU 227 227 25707 2 . CYS 228 228 25707 2 . LYS 229 229 25707 2 . GLU 230 230 25707 2 . ALA 231 231 25707 2 . TYR 232 232 25707 2 . HIS 233 233 25707 2 . GLU 234 234 25707 2 . GLY 235 235 25707 2 . GLU 236 236 25707 2 . CYS 237 237 25707 2 . SER 238 238 25707 2 . ALA 239 239 25707 2 . VAL 240 240 25707 2 . PHE 241 241 25707 2 . GLU 242 242 25707 2 . ALA 243 243 25707 2 . SER 244 244 25707 2 . GLY 245 245 25707 2 . THR 246 246 25707 2 . THR 247 247 25707 2 . THR 248 248 25707 2 . GLN 249 249 25707 2 . ALA 250 250 25707 2 . TYR 251 251 25707 2 . ARG 252 252 25707 2 . VAL 253 253 25707 2 . ASP 254 254 25707 2 . GLU 255 255 25707 2 . ARG 256 256 25707 2 . ALA 257 257 25707 2 . ALA 258 258 25707 2 . GLU 259 259 25707 2 . GLN 260 260 25707 2 . ALA 261 261 25707 2 . ARG 262 262 25707 2 . TRP 263 263 25707 2 . GLU 264 264 25707 2 . ALA 265 265 25707 2 . ALA 266 266 25707 2 . SER 267 267 25707 2 . LYS 268 268 25707 2 . GLU 269 269 25707 2 . THR 270 270 25707 2 . ILE 271 271 25707 2 . LYS 272 272 25707 2 . LYS 273 273 25707 2 . THR 274 274 25707 2 . THR 275 275 25707 2 . LYS 276 276 25707 2 . PRO 277 277 25707 2 . CYS 278 278 25707 2 . PRO 279 279 25707 2 . ARG 280 280 25707 2 . CYS 281 281 25707 2 . HIS 282 282 25707 2 . VAL 283 283 25707 2 . PRO 284 284 25707 2 . VAL 285 285 25707 2 . GLU 286 286 25707 2 . LYS 287 287 25707 2 . ASN 288 288 25707 2 . GLY 289 289 25707 2 . GLY 290 290 25707 2 . CYS 291 291 25707 2 . MET 292 292 25707 2 . HIS 293 293 25707 2 . MET 294 294 25707 2 . LYS 295 295 25707 2 . CYS 296 296 25707 2 . PRO 297 297 25707 2 . GLN 298 298 25707 2 . PRO 299 299 25707 2 . GLN 300 300 25707 2 . CYS 301 301 25707 2 . ARG 302 302 25707 2 . LEU 303 303 25707 2 . GLU 304 304 25707 2 . TRP 305 305 25707 2 . CYS 306 306 25707 2 . TRP 307 307 25707 2 . ASN 308 308 25707 2 . CYS 309 309 25707 2 . GLY 310 310 25707 2 . CYS 311 311 25707 2 . GLU 312 312 25707 2 . TRP 313 313 25707 2 . ASN 314 314 25707 2 . ARG 315 315 25707 2 . VAL 316 316 25707 2 . CYS 317 317 25707 2 . MET 318 318 25707 2 . GLY 319 319 25707 2 . ASP 320 320 25707 2 . HIS 321 321 25707 2 . TRP 322 322 25707 2 . PHE 323 323 25707 2 . ASP 324 324 25707 2 . VAL 325 325 25707 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25707 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _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 25707 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25707 3 ZN 'Three letter code' 25707 3 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 25707 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25707 _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 $Ub . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25707 1 2 2 $Parkin_R0RBR_(141-465) . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25707 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25707 _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 $Ub . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet28a . . . 25707 1 2 2 $Parkin_R0RBR_(141-465) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet-SUMO . . . 25707 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 25707 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _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 25707 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25707 ZN [Zn++] SMILES CACTVS 3.341 25707 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25707 ZN [Zn+2] SMILES ACDLabs 10.04 25707 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25707 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25707 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 25707 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25707 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25707 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25707 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 Ub '[U-99% 13C; U-99% 15N]' . . 1 $Ub . . 145 . . uM . . . . 25707 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 25707 1 3 'Sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25707 1 4 TCEP 'natural abundance' . . . . . . 500 . . uM . . . . 25707 1 5 Imidazole 'natural abundance' . . . . . . 500 . . uM . . . . 25707 1 6 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 25707 1 7 'Parkin R0RBR (141-465)' '[U-99% 2H]' . . 2 $Parkin_R0RBR_(141-465) . . 435 . . uM . . . . 25707 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25707 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25707 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 25707 _Sample_condition_list.ID 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' 100 . mM 25707 1 pH 7.0 . pH 25707 1 pressure 1 . atm 25707 1 temperature 298.15 . K 25707 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25707 _Software.ID 1 _Software.Name NMRView _Software.Version 8.2.36 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25707 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25707 1 'peak picking' 25707 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25707 _Software.ID 2 _Software.Name VNMRJ _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25707 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25707 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25707 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2010.260.15.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25707 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25707 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25707 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25707 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 25707 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25707 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25707 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25707 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Ub methyl chemical shifts (parkin R0RBR-bound) were assigned by comparison to free WT Ub (BMRB ID 4769) and following chemical shift pertubations upon incremental parkin R0RBR titrations. ; 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 . . . . . 25707 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25707 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_Ub_methyl_resonances_in_complex_with_parkin_R0RBR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Ub_methyl_resonances_in_complex_with_parkin_R0RBR _Assigned_chem_shift_list.Entry_ID 25707 _Assigned_chem_shift_list.ID 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 $chemical_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-13C HMQC aliphatic' . . . 25707 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 4 4 MET HE1 H 1 1.6745 0.00325 . 1 . . . . 1 MET HE1 . 25707 1 2 . 1 1 4 4 MET HE2 H 1 1.6745 0.00325 . 1 . . . . 1 MET HE1 . 25707 1 3 . 1 1 4 4 MET HE3 H 1 1.6745 0.00325 . 1 . . . . 1 MET HE1 . 25707 1 4 . 1 1 4 4 MET CE C 13 17.5996 0.02000 . 1 . . . . 1 MET CE . 25707 1 5 . 1 1 6 6 ILE HG21 H 1 0.6341 0.00325 . 1 . . . . 3 ILE HG21 . 25707 1 6 . 1 1 6 6 ILE HG22 H 1 0.6341 0.00325 . 1 . . . . 3 ILE HG21 . 25707 1 7 . 1 1 6 6 ILE HG23 H 1 0.6341 0.00325 . 1 . . . . 3 ILE HG21 . 25707 1 8 . 1 1 6 6 ILE HD11 H 1 0.6020 0.00325 . 1 . . . . 3 ILE HD11 . 25707 1 9 . 1 1 6 6 ILE HD12 H 1 0.6020 0.00325 . 1 . . . . 3 ILE HD11 . 25707 1 10 . 1 1 6 6 ILE HD13 H 1 0.6020 0.00325 . 1 . . . . 3 ILE HD11 . 25707 1 11 . 1 1 6 6 ILE CG2 C 13 17.8212 0.02000 . 1 . . . . 3 ILE CG2 . 25707 1 12 . 1 1 6 6 ILE CD1 C 13 14.2072 0.02000 . 1 . . . . 3 ILE CD1 . 25707 1 13 . 1 1 8 8 VAL HG11 H 1 0.7439 0.00325 . 2 . . . . 5 VAL HG11 . 25707 1 14 . 1 1 8 8 VAL HG12 H 1 0.7439 0.00325 . 2 . . . . 5 VAL HG11 . 25707 1 15 . 1 1 8 8 VAL HG13 H 1 0.7439 0.00325 . 2 . . . . 5 VAL HG11 . 25707 1 16 . 1 1 8 8 VAL HG21 H 1 0.7193 0.00325 . 2 . . . . 5 VAL HG21 . 25707 1 17 . 1 1 8 8 VAL HG22 H 1 0.7193 0.00325 . 2 . . . . 5 VAL HG21 . 25707 1 18 . 1 1 8 8 VAL HG23 H 1 0.7193 0.00325 . 2 . . . . 5 VAL HG21 . 25707 1 19 . 1 1 8 8 VAL CG1 C 13 20.9004 0.02000 . 2 . . . . 5 VAL CG1 . 25707 1 20 . 1 1 8 8 VAL CG2 C 13 22.2786 0.02000 . 2 . . . . 5 VAL CG2 . 25707 1 21 . 1 1 10 10 THR HG21 H 1 1.1680 0.00325 . 1 . . . . 7 THR HG21 . 25707 1 22 . 1 1 10 10 THR HG22 H 1 1.1680 0.00325 . 1 . . . . 7 THR HG21 . 25707 1 23 . 1 1 10 10 THR HG23 H 1 1.1680 0.00325 . 1 . . . . 7 THR HG21 . 25707 1 24 . 1 1 10 10 THR CG2 C 13 20.9741 0.02000 . 1 . . . . 7 THR CG2 . 25707 1 25 . 1 1 11 11 LEU HD21 H 1 0.9840 0.00325 . 2 . . . . 8 LEU HD21 . 25707 1 26 . 1 1 11 11 LEU HD22 H 1 0.9840 0.00325 . 2 . . . . 8 LEU HD21 . 25707 1 27 . 1 1 11 11 LEU HD23 H 1 0.9840 0.00325 . 2 . . . . 8 LEU HD21 . 25707 1 28 . 1 1 11 11 LEU CD2 C 13 23.5971 0.02000 . 2 . . . . 8 LEU CD2 . 25707 1 29 . 1 1 12 12 THR HG21 H 1 1.2677 0.00325 . 1 . . . . 9 THR HG21 . 25707 1 30 . 1 1 12 12 THR HG22 H 1 1.2677 0.00325 . 1 . . . . 9 THR HG21 . 25707 1 31 . 1 1 12 12 THR HG23 H 1 1.2677 0.00325 . 1 . . . . 9 THR HG21 . 25707 1 32 . 1 1 12 12 THR CG2 C 13 22.9757 0.02000 . 1 . . . . 9 THR CG2 . 25707 1 33 . 1 1 15 15 THR HG21 H 1 1.0896 0.00325 . 1 . . . . 12 THR HG21 . 25707 1 34 . 1 1 15 15 THR HG22 H 1 1.0896 0.00325 . 1 . . . . 12 THR HG21 . 25707 1 35 . 1 1 15 15 THR HG23 H 1 1.0896 0.00325 . 1 . . . . 12 THR HG21 . 25707 1 36 . 1 1 15 15 THR CG2 C 13 21.7506 0.02000 . 1 . . . . 12 THR CG2 . 25707 1 37 . 1 1 16 16 ILE HG21 H 1 0.8802 0.00325 . 1 . . . . 13 ILE HG21 . 25707 1 38 . 1 1 16 16 ILE HG22 H 1 0.8802 0.00325 . 1 . . . . 13 ILE HG21 . 25707 1 39 . 1 1 16 16 ILE HG23 H 1 0.8802 0.00325 . 1 . . . . 13 ILE HG21 . 25707 1 40 . 1 1 16 16 ILE HD11 H 1 0.7462 0.00325 . 1 . . . . 13 ILE HD11 . 25707 1 41 . 1 1 16 16 ILE HD12 H 1 0.7462 0.00325 . 1 . . . . 13 ILE HD11 . 25707 1 42 . 1 1 16 16 ILE HD13 H 1 0.7462 0.00325 . 1 . . . . 13 ILE HD11 . 25707 1 43 . 1 1 16 16 ILE CG2 C 13 17.7639 0.02000 . 1 . . . . 13 ILE CG2 . 25707 1 44 . 1 1 16 16 ILE CD1 C 13 13.7292 0.02000 . 1 . . . . 13 ILE CD1 . 25707 1 45 . 1 1 17 17 THR HG21 H 1 1.1230 0.00325 . 1 . . . . 14 THR HG21 . 25707 1 46 . 1 1 17 17 THR HG22 H 1 1.1230 0.00325 . 1 . . . . 14 THR HG21 . 25707 1 47 . 1 1 17 17 THR HG23 H 1 1.1230 0.00325 . 1 . . . . 14 THR HG21 . 25707 1 48 . 1 1 17 17 THR CG2 C 13 21.7291 0.02000 . 1 . . . . 14 THR CG2 . 25707 1 49 . 1 1 18 18 LEU HD11 H 1 0.7226 0.00325 . 2 . . . . 15 LEU HD11 . 25707 1 50 . 1 1 18 18 LEU HD12 H 1 0.7226 0.00325 . 2 . . . . 15 LEU HD11 . 25707 1 51 . 1 1 18 18 LEU HD13 H 1 0.7226 0.00325 . 2 . . . . 15 LEU HD11 . 25707 1 52 . 1 1 18 18 LEU HD21 H 1 0.7621 0.00325 . 2 . . . . 15 LEU HD21 . 25707 1 53 . 1 1 18 18 LEU HD22 H 1 0.7621 0.00325 . 2 . . . . 15 LEU HD21 . 25707 1 54 . 1 1 18 18 LEU HD23 H 1 0.7621 0.00325 . 2 . . . . 15 LEU HD21 . 25707 1 55 . 1 1 18 18 LEU CD1 C 13 27.3364 0.02000 . 2 . . . . 15 LEU CD1 . 25707 1 56 . 1 1 18 18 LEU CD2 C 13 24.2827 0.02000 . 2 . . . . 15 LEU CD2 . 25707 1 57 . 1 1 20 20 VAL HG11 H 1 0.6921 0.00325 . 2 . . . . 17 VAL HG11 . 25707 1 58 . 1 1 20 20 VAL HG12 H 1 0.6921 0.00325 . 2 . . . . 17 VAL HG11 . 25707 1 59 . 1 1 20 20 VAL HG13 H 1 0.6921 0.00325 . 2 . . . . 17 VAL HG11 . 25707 1 60 . 1 1 20 20 VAL HG21 H 1 0.4620 0.00325 . 2 . . . . 17 VAL HG21 . 25707 1 61 . 1 1 20 20 VAL HG22 H 1 0.4620 0.00325 . 2 . . . . 17 VAL HG21 . 25707 1 62 . 1 1 20 20 VAL HG23 H 1 0.4620 0.00325 . 2 . . . . 17 VAL HG21 . 25707 1 63 . 1 1 20 20 VAL CG1 C 13 22.3874 0.02000 . 2 . . . . 17 VAL CG1 . 25707 1 64 . 1 1 20 20 VAL CG2 C 13 19.3667 0.02000 . 2 . . . . 17 VAL CG2 . 25707 1 65 . 1 1 25 25 THR HG21 H 1 1.2587 0.00325 . 1 . . . . 22 THR HG21 . 25707 1 66 . 1 1 25 25 THR HG22 H 1 1.2587 0.00325 . 1 . . . . 22 THR HG21 . 25707 1 67 . 1 1 25 25 THR HG23 H 1 1.2587 0.00325 . 1 . . . . 22 THR HG21 . 25707 1 68 . 1 1 25 25 THR CG2 C 13 22.2766 0.02000 . 1 . . . . 22 THR CG2 . 25707 1 69 . 1 1 26 26 ILE HG21 H 1 0.7890 0.00325 . 1 . . . . 23 ILE HG21 . 25707 1 70 . 1 1 26 26 ILE HG22 H 1 0.7890 0.00325 . 1 . . . . 23 ILE HG21 . 25707 1 71 . 1 1 26 26 ILE HG23 H 1 0.7890 0.00325 . 1 . . . . 23 ILE HG21 . 25707 1 72 . 1 1 26 26 ILE HD11 H 1 0.5865 0.00325 . 1 . . . . 23 ILE HD11 . 25707 1 73 . 1 1 26 26 ILE HD12 H 1 0.5865 0.00325 . 1 . . . . 23 ILE HD11 . 25707 1 74 . 1 1 26 26 ILE HD13 H 1 0.5865 0.00325 . 1 . . . . 23 ILE HD11 . 25707 1 75 . 1 1 26 26 ILE CG2 C 13 18.1490 0.02000 . 1 . . . . 23 ILE CG2 . 25707 1 76 . 1 1 26 26 ILE CD1 C 13 9.6040 0.02000 . 1 . . . . 23 ILE CD1 . 25707 1 77 . 1 1 29 29 VAL HG11 H 1 0.9195 0.00325 . 2 . . . . 26 VAL HG11 . 25707 1 78 . 1 1 29 29 VAL HG12 H 1 0.9195 0.00325 . 2 . . . . 26 VAL HG11 . 25707 1 79 . 1 1 29 29 VAL HG13 H 1 0.9195 0.00325 . 2 . . . . 26 VAL HG11 . 25707 1 80 . 1 1 29 29 VAL HG21 H 1 0.7044 0.00325 . 2 . . . . 26 VAL HG21 . 25707 1 81 . 1 1 29 29 VAL HG22 H 1 0.7044 0.00325 . 2 . . . . 26 VAL HG21 . 25707 1 82 . 1 1 29 29 VAL HG23 H 1 0.7044 0.00325 . 2 . . . . 26 VAL HG21 . 25707 1 83 . 1 1 29 29 VAL CG1 C 13 23.0885 0.02000 . 2 . . . . 26 VAL CG1 . 25707 1 84 . 1 1 29 29 VAL CG2 C 13 21.5109 0.02000 . 2 . . . . 26 VAL CG2 . 25707 1 85 . 1 1 33 33 ILE HG21 H 1 0.6929 0.00325 . 1 . . . . 30 ILE HG21 . 25707 1 86 . 1 1 33 33 ILE HG22 H 1 0.6929 0.00325 . 1 . . . . 30 ILE HG21 . 25707 1 87 . 1 1 33 33 ILE HG23 H 1 0.6929 0.00325 . 1 . . . . 30 ILE HG21 . 25707 1 88 . 1 1 33 33 ILE HD11 H 1 0.9047 0.00325 . 1 . . . . 30 ILE HD11 . 25707 1 89 . 1 1 33 33 ILE HD12 H 1 0.9047 0.00325 . 1 . . . . 30 ILE HD11 . 25707 1 90 . 1 1 33 33 ILE HD13 H 1 0.9047 0.00325 . 1 . . . . 30 ILE HD11 . 25707 1 91 . 1 1 33 33 ILE CG2 C 13 17.0141 0.02000 . 1 . . . . 30 ILE CG2 . 25707 1 92 . 1 1 33 33 ILE CD1 C 13 15.1857 0.02000 . 1 . . . . 30 ILE CD1 . 25707 1 93 . 1 1 39 39 ILE HG21 H 1 0.9071 0.00325 . 1 . . . . 36 ILE HG21 . 25707 1 94 . 1 1 39 39 ILE HG22 H 1 0.9071 0.00325 . 1 . . . . 36 ILE HG21 . 25707 1 95 . 1 1 39 39 ILE HG23 H 1 0.9071 0.00325 . 1 . . . . 36 ILE HG21 . 25707 1 96 . 1 1 39 39 ILE HD11 H 1 0.7141 0.00325 . 1 . . . . 36 ILE HD11 . 25707 1 97 . 1 1 39 39 ILE HD12 H 1 0.7141 0.00325 . 1 . . . . 36 ILE HD11 . 25707 1 98 . 1 1 39 39 ILE HD13 H 1 0.7141 0.00325 . 1 . . . . 36 ILE HD11 . 25707 1 99 . 1 1 39 39 ILE CG2 C 13 17.7156 0.02000 . 1 . . . . 36 ILE CG2 . 25707 1 100 . 1 1 39 39 ILE CD1 C 13 14.5694 0.02000 . 1 . . . . 36 ILE CD1 . 25707 1 101 . 1 1 46 46 LEU HD11 H 1 0.6562 0.00325 . 2 . . . . 43 LEU HD11 . 25707 1 102 . 1 1 46 46 LEU HD12 H 1 0.6562 0.00325 . 2 . . . . 43 LEU HD11 . 25707 1 103 . 1 1 46 46 LEU HD13 H 1 0.6562 0.00325 . 2 . . . . 43 LEU HD11 . 25707 1 104 . 1 1 46 46 LEU HD21 H 1 0.7959 0.00325 . 2 . . . . 43 LEU HD21 . 25707 1 105 . 1 1 46 46 LEU HD22 H 1 0.7959 0.00325 . 2 . . . . 43 LEU HD21 . 25707 1 106 . 1 1 46 46 LEU HD23 H 1 0.7959 0.00325 . 2 . . . . 43 LEU HD21 . 25707 1 107 . 1 1 46 46 LEU CD1 C 13 25.9131 0.02000 . 2 . . . . 43 LEU CD1 . 25707 1 108 . 1 1 46 46 LEU CD2 C 13 24.2072 0.02000 . 2 . . . . 43 LEU CD2 . 25707 1 109 . 1 1 47 47 ILE HG21 H 1 0.7100 0.00325 . 1 . . . . 44 ILE HG21 . 25707 1 110 . 1 1 47 47 ILE HG22 H 1 0.7100 0.00325 . 1 . . . . 44 ILE HG21 . 25707 1 111 . 1 1 47 47 ILE HG23 H 1 0.7100 0.00325 . 1 . . . . 44 ILE HG21 . 25707 1 112 . 1 1 47 47 ILE HD11 H 1 0.6578 0.00325 . 1 . . . . 44 ILE HD11 . 25707 1 113 . 1 1 47 47 ILE HD12 H 1 0.6578 0.00325 . 1 . . . . 44 ILE HD11 . 25707 1 114 . 1 1 47 47 ILE HD13 H 1 0.6578 0.00325 . 1 . . . . 44 ILE HD11 . 25707 1 115 . 1 1 47 47 ILE CG2 C 13 17.1521 0.02000 . 1 . . . . 44 ILE CG2 . 25707 1 116 . 1 1 47 47 ILE CD1 C 13 14.2408 0.02000 . 1 . . . . 44 ILE CD1 . 25707 1 117 . 1 1 49 49 ALA HB1 H 1 0.9638 0.00325 . 1 . . . . 46 ALA HB1 . 25707 1 118 . 1 1 49 49 ALA HB2 H 1 0.9638 0.00325 . 1 . . . . 46 ALA HB1 . 25707 1 119 . 1 1 49 49 ALA HB3 H 1 0.9638 0.00325 . 1 . . . . 46 ALA HB1 . 25707 1 120 . 1 1 49 49 ALA CB C 13 16.7367 0.02000 . 1 . . . . 46 ALA CB . 25707 1 121 . 1 1 53 53 LEU HD11 H 1 0.5279 0.00325 . 2 . . . . 50 LEU HD11 . 25707 1 122 . 1 1 53 53 LEU HD12 H 1 0.5279 0.00325 . 2 . . . . 50 LEU HD11 . 25707 1 123 . 1 1 53 53 LEU HD13 H 1 0.5279 0.00325 . 2 . . . . 50 LEU HD11 . 25707 1 124 . 1 1 53 53 LEU HD21 H 1 -0.1529 0.00325 . 2 . . . . 50 LEU HD21 . 25707 1 125 . 1 1 53 53 LEU HD22 H 1 -0.1529 0.00325 . 2 . . . . 50 LEU HD21 . 25707 1 126 . 1 1 53 53 LEU HD23 H 1 -0.1529 0.00325 . 2 . . . . 50 LEU HD21 . 25707 1 127 . 1 1 53 53 LEU CD1 C 13 26.0432 0.02000 . 2 . . . . 50 LEU CD1 . 25707 1 128 . 1 1 53 53 LEU CD2 C 13 19.5816 0.02000 . 2 . . . . 50 LEU CD2 . 25707 1 129 . 1 1 58 58 THR HG21 H 1 1.1553 0.00325 . 1 . . . . 55 THR HG21 . 25707 1 130 . 1 1 58 58 THR HG22 H 1 1.1553 0.00325 . 1 . . . . 55 THR HG21 . 25707 1 131 . 1 1 58 58 THR HG23 H 1 1.1553 0.00325 . 1 . . . . 55 THR HG21 . 25707 1 132 . 1 1 58 58 THR CG2 C 13 22.3319 0.02000 . 1 . . . . 55 THR CG2 . 25707 1 133 . 1 1 59 59 LEU HD11 H 1 0.7721 0.00325 . 2 . . . . 56 LEU HD11 . 25707 1 134 . 1 1 59 59 LEU HD12 H 1 0.7721 0.00325 . 2 . . . . 56 LEU HD11 . 25707 1 135 . 1 1 59 59 LEU HD13 H 1 0.7721 0.00325 . 2 . . . . 56 LEU HD11 . 25707 1 136 . 1 1 59 59 LEU HD21 H 1 0.6308 0.00325 . 2 . . . . 56 LEU HD21 . 25707 1 137 . 1 1 59 59 LEU HD22 H 1 0.6308 0.00325 . 2 . . . . 56 LEU HD21 . 25707 1 138 . 1 1 59 59 LEU HD23 H 1 0.6308 0.00325 . 2 . . . . 56 LEU HD21 . 25707 1 139 . 1 1 59 59 LEU CD1 C 13 26.5394 0.02000 . 2 . . . . 56 LEU CD1 . 25707 1 140 . 1 1 59 59 LEU CD2 C 13 23.1663 0.02000 . 2 . . . . 56 LEU CD2 . 25707 1 141 . 1 1 64 64 ILE HG13 H 1 -0.2261 0.00325 . 2 . . . . 61 ILE HG13 . 25707 1 142 . 1 1 64 64 ILE HG21 H 1 0.5209 0.00325 . 1 . . . . 61 ILE HG21 . 25707 1 143 . 1 1 64 64 ILE HG22 H 1 0.5209 0.00325 . 1 . . . . 61 ILE HG21 . 25707 1 144 . 1 1 64 64 ILE HG23 H 1 0.5209 0.00325 . 1 . . . . 61 ILE HG21 . 25707 1 145 . 1 1 64 64 ILE HD11 H 1 0.4000 0.00325 . 1 . . . . 61 ILE HD11 . 25707 1 146 . 1 1 64 64 ILE HD12 H 1 0.4000 0.00325 . 1 . . . . 61 ILE HD11 . 25707 1 147 . 1 1 64 64 ILE HD13 H 1 0.4000 0.00325 . 1 . . . . 61 ILE HD11 . 25707 1 148 . 1 1 64 64 ILE CG1 C 13 28.2656 0.02000 . 1 . . . . 61 ILE CG1 . 25707 1 149 . 1 1 64 64 ILE CG2 C 13 17.3694 0.02000 . 1 . . . . 61 ILE CG2 . 25707 1 150 . 1 1 64 64 ILE CD1 C 13 14.0496 0.02000 . 1 . . . . 61 ILE CD1 . 25707 1 151 . 1 1 69 69 THR HG21 H 1 0.8208 0.00325 . 1 . . . . 66 THR HG21 . 25707 1 152 . 1 1 69 69 THR HG22 H 1 0.8208 0.00325 . 1 . . . . 66 THR HG21 . 25707 1 153 . 1 1 69 69 THR HG23 H 1 0.8208 0.00325 . 1 . . . . 66 THR HG21 . 25707 1 154 . 1 1 69 69 THR CG2 C 13 21.5198 0.02000 . 1 . . . . 66 THR CG2 . 25707 1 155 . 1 1 70 70 LEU HD11 H 1 0.6628 0.00325 . 2 . . . . 67 LEU HD11 . 25707 1 156 . 1 1 70 70 LEU HD12 H 1 0.6628 0.00325 . 2 . . . . 67 LEU HD11 . 25707 1 157 . 1 1 70 70 LEU HD13 H 1 0.6628 0.00325 . 2 . . . . 67 LEU HD11 . 25707 1 158 . 1 1 70 70 LEU HD21 H 1 0.6993 0.00325 . 2 . . . . 67 LEU HD21 . 25707 1 159 . 1 1 70 70 LEU HD22 H 1 0.6993 0.00325 . 2 . . . . 67 LEU HD21 . 25707 1 160 . 1 1 70 70 LEU HD23 H 1 0.6993 0.00325 . 2 . . . . 67 LEU HD21 . 25707 1 161 . 1 1 70 70 LEU CD1 C 13 25.3950 0.02000 . 2 . . . . 67 LEU CD1 . 25707 1 162 . 1 1 70 70 LEU CD2 C 13 24.8156 0.02000 . 2 . . . . 67 LEU CD2 . 25707 1 163 . 1 1 72 72 LEU HD21 H 1 0.8578 0.00325 . 2 . . . . 69 LEU HD21 . 25707 1 164 . 1 1 72 72 LEU HD22 H 1 0.8578 0.00325 . 2 . . . . 69 LEU HD21 . 25707 1 165 . 1 1 72 72 LEU HD23 H 1 0.8578 0.00325 . 2 . . . . 69 LEU HD21 . 25707 1 166 . 1 1 72 72 LEU CD2 C 13 23.8646 0.02000 . 2 . . . . 69 LEU CD2 . 25707 1 167 . 1 1 73 73 VAL HG21 H 1 0.7163 0.00325 . 2 . . . . 70 VAL HG21 . 25707 1 168 . 1 1 73 73 VAL HG22 H 1 0.7163 0.00325 . 2 . . . . 70 VAL HG21 . 25707 1 169 . 1 1 73 73 VAL HG23 H 1 0.7163 0.00325 . 2 . . . . 70 VAL HG21 . 25707 1 170 . 1 1 73 73 VAL CG2 C 13 20.3199 0.02000 . 2 . . . . 70 VAL CG2 . 25707 1 171 . 1 1 74 74 LEU HD11 H 1 0.8546 0.00325 . 2 . . . . 71 LEU HD11 . 25707 1 172 . 1 1 74 74 LEU HD12 H 1 0.8546 0.00325 . 2 . . . . 71 LEU HD11 . 25707 1 173 . 1 1 74 74 LEU HD13 H 1 0.8546 0.00325 . 2 . . . . 71 LEU HD11 . 25707 1 174 . 1 1 74 74 LEU CD1 C 13 25.4690 0.02000 . 2 . . . . 71 LEU CD1 . 25707 1 175 . 1 1 76 76 LEU HD11 H 1 0.9754 0.00325 . 2 . . . . 73 LEU HD11 . 25707 1 176 . 1 1 76 76 LEU HD12 H 1 0.9754 0.00325 . 2 . . . . 73 LEU HD11 . 25707 1 177 . 1 1 76 76 LEU HD13 H 1 0.9754 0.00325 . 2 . . . . 73 LEU HD11 . 25707 1 178 . 1 1 76 76 LEU CD1 C 13 26.2008 0.02000 . 2 . . . . 73 LEU CD1 . 25707 1 stop_ save_