data_52520 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52520 _Entry.Title ; AILV Methyl Chemical Shifts for Mutant TAPBPR-bound HLA-A*02:01/TAX9 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-24 _Entry.Accession_date 2024-06-24 _Entry.Last_release_date 2024-06-24 _Entry.Original_release_date 2024-06-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Apala Chaudhuri . . . 0000-0003-2669-850X 52520 2 Nikolaos Sgourakis . . . 0000-0003-3655-3902 52520 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "The Children's Hospital of Philadelphia" . 52520 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52520 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 62 52520 '1H chemical shifts' 258 52520 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-10-07 . original BMRB . 52520 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52520 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39211162 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; CryoEM structure of an MHC-I/TAPBPR peptide bound intermediate reveals the mechanism of antigen proofreading ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _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 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yi Sun . . . . 52520 1 2 Ruth Pumroy . A. . . 52520 1 3 Leena Mallik . . . . 52520 1 4 Chloe Wang . . . . 52520 1 5 Daniel Hwang . . . . 52520 1 6 Apala Chaudhuri . . . . 52520 1 7 Julia Danon . N. . . 52520 1 8 Kim 'Dasteh Goli' . . . . 52520 1 9 Vera Moiseenkova-Bell . . . . 52520 1 10 Nikolaos Sgourakis . . . . 52520 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52520 _Assembly.ID 1 _Assembly.Name 'HLA-A*02:01/human_beta2m/TAX9/TAPBPR_FLQ - heterotetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TAX9 1 $entity_1 . . no native no no . . . 52520 1 2 human_beta2m 2 $entity_2 . . no native no no . . . 52520 1 3 HLA-A*02:01 3 $entity_3 . . yes native no no . . . 52520 1 4 TAPBPR_FLQ 4 $entity_4 . . no native no no . . . 52520 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 disulfide single . 3 . 3 CYS 203 203 SG . 3 . 3 CYS 259 259 SG . . . . . . . . . . . . 52520 1 2 disulfide single . 3 . 3 CYS 101 101 SG . 3 . 3 CYS 164 164 SG . . . . . . . . . . . . 52520 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52520 _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 ; LLFGYPVYV ; _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LEU . 52520 1 2 . LEU . 52520 1 3 . PHE . 52520 1 4 . GLY . 52520 1 5 . TYR . 52520 1 6 . PRO . 52520 1 7 . VAL . 52520 1 8 . TYR . 52520 1 9 . VAL . 52520 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 . LEU 1 1 52520 1 . LEU 2 2 52520 1 . PHE 3 3 52520 1 . GLY 4 4 52520 1 . TYR 5 5 52520 1 . PRO 6 6 52520 1 . VAL 7 7 52520 1 . TYR 8 8 52520 1 . VAL 9 9 52520 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52520 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . MET . 52520 2 2 . ILE . 52520 2 3 . GLN . 52520 2 4 . ARG . 52520 2 5 . THR . 52520 2 6 . PRO . 52520 2 7 . LYS . 52520 2 8 . ILE . 52520 2 9 . GLN . 52520 2 10 . VAL . 52520 2 11 . TYR . 52520 2 12 . SER . 52520 2 13 . ARG . 52520 2 14 . HIS . 52520 2 15 . PRO . 52520 2 16 . ALA . 52520 2 17 . GLU . 52520 2 18 . ASN . 52520 2 19 . GLY . 52520 2 20 . LYS . 52520 2 21 . SER . 52520 2 22 . ASN . 52520 2 23 . PHE . 52520 2 24 . LEU . 52520 2 25 . ASN . 52520 2 26 . CYS . 52520 2 27 . TYR . 52520 2 28 . VAL . 52520 2 29 . SER . 52520 2 30 . GLY . 52520 2 31 . PHE . 52520 2 32 . HIS . 52520 2 33 . PRO . 52520 2 34 . SER . 52520 2 35 . ASP . 52520 2 36 . ILE . 52520 2 37 . GLU . 52520 2 38 . VAL . 52520 2 39 . ASP . 52520 2 40 . LEU . 52520 2 41 . LEU . 52520 2 42 . LYS . 52520 2 43 . ASN . 52520 2 44 . GLY . 52520 2 45 . GLU . 52520 2 46 . ARG . 52520 2 47 . ILE . 52520 2 48 . GLU . 52520 2 49 . LYS . 52520 2 50 . VAL . 52520 2 51 . GLU . 52520 2 52 . HIS . 52520 2 53 . SER . 52520 2 54 . ASP . 52520 2 55 . LEU . 52520 2 56 . SER . 52520 2 57 . PHE . 52520 2 58 . SER . 52520 2 59 . LYS . 52520 2 60 . ASP . 52520 2 61 . TRP . 52520 2 62 . SER . 52520 2 63 . PHE . 52520 2 64 . TYR . 52520 2 65 . LEU . 52520 2 66 . LEU . 52520 2 67 . TYR . 52520 2 68 . TYR . 52520 2 69 . THR . 52520 2 70 . GLU . 52520 2 71 . PHE . 52520 2 72 . THR . 52520 2 73 . PRO . 52520 2 74 . THR . 52520 2 75 . GLU . 52520 2 76 . LYS . 52520 2 77 . ASP . 52520 2 78 . GLU . 52520 2 79 . TYR . 52520 2 80 . ALA . 52520 2 81 . CYS . 52520 2 82 . ARG . 52520 2 83 . VAL . 52520 2 84 . ASN . 52520 2 85 . HIS . 52520 2 86 . VAL . 52520 2 87 . THR . 52520 2 88 . LEU . 52520 2 89 . SER . 52520 2 90 . GLN . 52520 2 91 . PRO . 52520 2 92 . LYS . 52520 2 93 . ILE . 52520 2 94 . VAL . 52520 2 95 . LYS . 52520 2 96 . TRP . 52520 2 97 . ASP . 52520 2 98 . ARG . 52520 2 99 . ASP . 52520 2 100 . MET . 52520 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 . MET 1 1 52520 2 . ILE 2 2 52520 2 . GLN 3 3 52520 2 . ARG 4 4 52520 2 . THR 5 5 52520 2 . PRO 6 6 52520 2 . LYS 7 7 52520 2 . ILE 8 8 52520 2 . GLN 9 9 52520 2 . VAL 10 10 52520 2 . TYR 11 11 52520 2 . SER 12 12 52520 2 . ARG 13 13 52520 2 . HIS 14 14 52520 2 . PRO 15 15 52520 2 . ALA 16 16 52520 2 . GLU 17 17 52520 2 . ASN 18 18 52520 2 . GLY 19 19 52520 2 . LYS 20 20 52520 2 . SER 21 21 52520 2 . ASN 22 22 52520 2 . PHE 23 23 52520 2 . LEU 24 24 52520 2 . ASN 25 25 52520 2 . CYS 26 26 52520 2 . TYR 27 27 52520 2 . VAL 28 28 52520 2 . SER 29 29 52520 2 . GLY 30 30 52520 2 . PHE 31 31 52520 2 . HIS 32 32 52520 2 . PRO 33 33 52520 2 . SER 34 34 52520 2 . ASP 35 35 52520 2 . ILE 36 36 52520 2 . GLU 37 37 52520 2 . VAL 38 38 52520 2 . ASP 39 39 52520 2 . LEU 40 40 52520 2 . LEU 41 41 52520 2 . LYS 42 42 52520 2 . ASN 43 43 52520 2 . GLY 44 44 52520 2 . GLU 45 45 52520 2 . ARG 46 46 52520 2 . ILE 47 47 52520 2 . GLU 48 48 52520 2 . LYS 49 49 52520 2 . VAL 50 50 52520 2 . GLU 51 51 52520 2 . HIS 52 52 52520 2 . SER 53 53 52520 2 . ASP 54 54 52520 2 . LEU 55 55 52520 2 . SER 56 56 52520 2 . PHE 57 57 52520 2 . SER 58 58 52520 2 . LYS 59 59 52520 2 . ASP 60 60 52520 2 . TRP 61 61 52520 2 . SER 62 62 52520 2 . PHE 63 63 52520 2 . TYR 64 64 52520 2 . LEU 65 65 52520 2 . LEU 66 66 52520 2 . TYR 67 67 52520 2 . TYR 68 68 52520 2 . THR 69 69 52520 2 . GLU 70 70 52520 2 . PHE 71 71 52520 2 . THR 72 72 52520 2 . PRO 73 73 52520 2 . THR 74 74 52520 2 . GLU 75 75 52520 2 . LYS 76 76 52520 2 . ASP 77 77 52520 2 . GLU 78 78 52520 2 . TYR 79 79 52520 2 . ALA 80 80 52520 2 . CYS 81 81 52520 2 . ARG 82 82 52520 2 . VAL 83 83 52520 2 . ASN 84 84 52520 2 . HIS 85 85 52520 2 . VAL 86 86 52520 2 . THR 87 87 52520 2 . LEU 88 88 52520 2 . SER 89 89 52520 2 . GLN 90 90 52520 2 . PRO 91 91 52520 2 . LYS 92 92 52520 2 . ILE 93 93 52520 2 . VAL 94 94 52520 2 . LYS 95 95 52520 2 . TRP 96 96 52520 2 . ASP 97 97 52520 2 . ARG 98 98 52520 2 . ASP 99 99 52520 2 . MET 100 100 52520 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 52520 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; GSHSMRYFFTSVSRPGRGEP RFIAVGYVDDTQFVRFDSDA ASQRMEPRAPWIEQEGPEYW DGETRKVKAHSQTHRVDLGT LRGYYNQSEAGSHTVQRMYG CDVGSDWRFLRGYHQYAYDG KDYIALKEDLRSWTAADMAA QTTKHKWEAAHVAEQLRAYL EGTCVEWLRRYLENGKETLQ RTDAPKTHMTHHAVSDHEAT LRCWALSFYPAEITLTWQRD GEDQTQDTELVETRPAGDGT FQKWAAVVVPSGQEQRYTCH VQHEGLPKPLTLRWEP ; _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 276 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . GLY . 52520 3 2 . SER . 52520 3 3 . HIS . 52520 3 4 . SER . 52520 3 5 . MET . 52520 3 6 . ARG . 52520 3 7 . TYR . 52520 3 8 . PHE . 52520 3 9 . PHE . 52520 3 10 . THR . 52520 3 11 . SER . 52520 3 12 . VAL . 52520 3 13 . SER . 52520 3 14 . ARG . 52520 3 15 . PRO . 52520 3 16 . GLY . 52520 3 17 . ARG . 52520 3 18 . GLY . 52520 3 19 . GLU . 52520 3 20 . PRO . 52520 3 21 . ARG . 52520 3 22 . PHE . 52520 3 23 . ILE . 52520 3 24 . ALA . 52520 3 25 . VAL . 52520 3 26 . GLY . 52520 3 27 . TYR . 52520 3 28 . VAL . 52520 3 29 . ASP . 52520 3 30 . ASP . 52520 3 31 . THR . 52520 3 32 . GLN . 52520 3 33 . PHE . 52520 3 34 . VAL . 52520 3 35 . ARG . 52520 3 36 . PHE . 52520 3 37 . ASP . 52520 3 38 . SER . 52520 3 39 . ASP . 52520 3 40 . ALA . 52520 3 41 . ALA . 52520 3 42 . SER . 52520 3 43 . GLN . 52520 3 44 . ARG . 52520 3 45 . MET . 52520 3 46 . GLU . 52520 3 47 . PRO . 52520 3 48 . ARG . 52520 3 49 . ALA . 52520 3 50 . PRO . 52520 3 51 . TRP . 52520 3 52 . ILE . 52520 3 53 . GLU . 52520 3 54 . GLN . 52520 3 55 . GLU . 52520 3 56 . GLY . 52520 3 57 . PRO . 52520 3 58 . GLU . 52520 3 59 . TYR . 52520 3 60 . TRP . 52520 3 61 . ASP . 52520 3 62 . GLY . 52520 3 63 . GLU . 52520 3 64 . THR . 52520 3 65 . ARG . 52520 3 66 . LYS . 52520 3 67 . VAL . 52520 3 68 . LYS . 52520 3 69 . ALA . 52520 3 70 . HIS . 52520 3 71 . SER . 52520 3 72 . GLN . 52520 3 73 . THR . 52520 3 74 . HIS . 52520 3 75 . ARG . 52520 3 76 . VAL . 52520 3 77 . ASP . 52520 3 78 . LEU . 52520 3 79 . GLY . 52520 3 80 . THR . 52520 3 81 . LEU . 52520 3 82 . ARG . 52520 3 83 . GLY . 52520 3 84 . TYR . 52520 3 85 . TYR . 52520 3 86 . ASN . 52520 3 87 . GLN . 52520 3 88 . SER . 52520 3 89 . GLU . 52520 3 90 . ALA . 52520 3 91 . GLY . 52520 3 92 . SER . 52520 3 93 . HIS . 52520 3 94 . THR . 52520 3 95 . VAL . 52520 3 96 . GLN . 52520 3 97 . ARG . 52520 3 98 . MET . 52520 3 99 . TYR . 52520 3 100 . GLY . 52520 3 101 . CYS . 52520 3 102 . ASP . 52520 3 103 . VAL . 52520 3 104 . GLY . 52520 3 105 . SER . 52520 3 106 . ASP . 52520 3 107 . TRP . 52520 3 108 . ARG . 52520 3 109 . PHE . 52520 3 110 . LEU . 52520 3 111 . ARG . 52520 3 112 . GLY . 52520 3 113 . TYR . 52520 3 114 . HIS . 52520 3 115 . GLN . 52520 3 116 . TYR . 52520 3 117 . ALA . 52520 3 118 . TYR . 52520 3 119 . ASP . 52520 3 120 . GLY . 52520 3 121 . LYS . 52520 3 122 . ASP . 52520 3 123 . TYR . 52520 3 124 . ILE . 52520 3 125 . ALA . 52520 3 126 . LEU . 52520 3 127 . LYS . 52520 3 128 . GLU . 52520 3 129 . ASP . 52520 3 130 . LEU . 52520 3 131 . ARG . 52520 3 132 . SER . 52520 3 133 . TRP . 52520 3 134 . THR . 52520 3 135 . ALA . 52520 3 136 . ALA . 52520 3 137 . ASP . 52520 3 138 . MET . 52520 3 139 . ALA . 52520 3 140 . ALA . 52520 3 141 . GLN . 52520 3 142 . THR . 52520 3 143 . THR . 52520 3 144 . LYS . 52520 3 145 . HIS . 52520 3 146 . LYS . 52520 3 147 . TRP . 52520 3 148 . GLU . 52520 3 149 . ALA . 52520 3 150 . ALA . 52520 3 151 . HIS . 52520 3 152 . VAL . 52520 3 153 . ALA . 52520 3 154 . GLU . 52520 3 155 . GLN . 52520 3 156 . LEU . 52520 3 157 . ARG . 52520 3 158 . ALA . 52520 3 159 . TYR . 52520 3 160 . LEU . 52520 3 161 . GLU . 52520 3 162 . GLY . 52520 3 163 . THR . 52520 3 164 . CYS . 52520 3 165 . VAL . 52520 3 166 . GLU . 52520 3 167 . TRP . 52520 3 168 . LEU . 52520 3 169 . ARG . 52520 3 170 . ARG . 52520 3 171 . TYR . 52520 3 172 . LEU . 52520 3 173 . GLU . 52520 3 174 . ASN . 52520 3 175 . GLY . 52520 3 176 . LYS . 52520 3 177 . GLU . 52520 3 178 . THR . 52520 3 179 . LEU . 52520 3 180 . GLN . 52520 3 181 . ARG . 52520 3 182 . THR . 52520 3 183 . ASP . 52520 3 184 . ALA . 52520 3 185 . PRO . 52520 3 186 . LYS . 52520 3 187 . THR . 52520 3 188 . HIS . 52520 3 189 . MET . 52520 3 190 . THR . 52520 3 191 . HIS . 52520 3 192 . HIS . 52520 3 193 . ALA . 52520 3 194 . VAL . 52520 3 195 . SER . 52520 3 196 . ASP . 52520 3 197 . HIS . 52520 3 198 . GLU . 52520 3 199 . ALA . 52520 3 200 . THR . 52520 3 201 . LEU . 52520 3 202 . ARG . 52520 3 203 . CYS . 52520 3 204 . TRP . 52520 3 205 . ALA . 52520 3 206 . LEU . 52520 3 207 . SER . 52520 3 208 . PHE . 52520 3 209 . TYR . 52520 3 210 . PRO . 52520 3 211 . ALA . 52520 3 212 . GLU . 52520 3 213 . ILE . 52520 3 214 . THR . 52520 3 215 . LEU . 52520 3 216 . THR . 52520 3 217 . TRP . 52520 3 218 . GLN . 52520 3 219 . ARG . 52520 3 220 . ASP . 52520 3 221 . GLY . 52520 3 222 . GLU . 52520 3 223 . ASP . 52520 3 224 . GLN . 52520 3 225 . THR . 52520 3 226 . GLN . 52520 3 227 . ASP . 52520 3 228 . THR . 52520 3 229 . GLU . 52520 3 230 . LEU . 52520 3 231 . VAL . 52520 3 232 . GLU . 52520 3 233 . THR . 52520 3 234 . ARG . 52520 3 235 . PRO . 52520 3 236 . ALA . 52520 3 237 . GLY . 52520 3 238 . ASP . 52520 3 239 . GLY . 52520 3 240 . THR . 52520 3 241 . PHE . 52520 3 242 . GLN . 52520 3 243 . LYS . 52520 3 244 . TRP . 52520 3 245 . ALA . 52520 3 246 . ALA . 52520 3 247 . VAL . 52520 3 248 . VAL . 52520 3 249 . VAL . 52520 3 250 . PRO . 52520 3 251 . SER . 52520 3 252 . GLY . 52520 3 253 . GLN . 52520 3 254 . GLU . 52520 3 255 . GLN . 52520 3 256 . ARG . 52520 3 257 . TYR . 52520 3 258 . THR . 52520 3 259 . CYS . 52520 3 260 . HIS . 52520 3 261 . VAL . 52520 3 262 . GLN . 52520 3 263 . HIS . 52520 3 264 . GLU . 52520 3 265 . GLY . 52520 3 266 . LEU . 52520 3 267 . PRO . 52520 3 268 . LYS . 52520 3 269 . PRO . 52520 3 270 . LEU . 52520 3 271 . THR . 52520 3 272 . LEU . 52520 3 273 . ARG . 52520 3 274 . TRP . 52520 3 275 . GLU . 52520 3 276 . PRO . 52520 3 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 52520 3 . SER 2 2 52520 3 . HIS 3 3 52520 3 . SER 4 4 52520 3 . MET 5 5 52520 3 . ARG 6 6 52520 3 . TYR 7 7 52520 3 . PHE 8 8 52520 3 . PHE 9 9 52520 3 . THR 10 10 52520 3 . SER 11 11 52520 3 . VAL 12 12 52520 3 . SER 13 13 52520 3 . ARG 14 14 52520 3 . PRO 15 15 52520 3 . GLY 16 16 52520 3 . ARG 17 17 52520 3 . GLY 18 18 52520 3 . GLU 19 19 52520 3 . PRO 20 20 52520 3 . ARG 21 21 52520 3 . PHE 22 22 52520 3 . ILE 23 23 52520 3 . ALA 24 24 52520 3 . VAL 25 25 52520 3 . GLY 26 26 52520 3 . TYR 27 27 52520 3 . VAL 28 28 52520 3 . ASP 29 29 52520 3 . ASP 30 30 52520 3 . THR 31 31 52520 3 . GLN 32 32 52520 3 . PHE 33 33 52520 3 . VAL 34 34 52520 3 . ARG 35 35 52520 3 . PHE 36 36 52520 3 . ASP 37 37 52520 3 . SER 38 38 52520 3 . ASP 39 39 52520 3 . ALA 40 40 52520 3 . ALA 41 41 52520 3 . SER 42 42 52520 3 . GLN 43 43 52520 3 . ARG 44 44 52520 3 . MET 45 45 52520 3 . GLU 46 46 52520 3 . PRO 47 47 52520 3 . ARG 48 48 52520 3 . ALA 49 49 52520 3 . PRO 50 50 52520 3 . TRP 51 51 52520 3 . ILE 52 52 52520 3 . GLU 53 53 52520 3 . GLN 54 54 52520 3 . GLU 55 55 52520 3 . GLY 56 56 52520 3 . PRO 57 57 52520 3 . GLU 58 58 52520 3 . TYR 59 59 52520 3 . TRP 60 60 52520 3 . ASP 61 61 52520 3 . GLY 62 62 52520 3 . GLU 63 63 52520 3 . THR 64 64 52520 3 . ARG 65 65 52520 3 . LYS 66 66 52520 3 . VAL 67 67 52520 3 . LYS 68 68 52520 3 . ALA 69 69 52520 3 . HIS 70 70 52520 3 . SER 71 71 52520 3 . GLN 72 72 52520 3 . THR 73 73 52520 3 . HIS 74 74 52520 3 . ARG 75 75 52520 3 . VAL 76 76 52520 3 . ASP 77 77 52520 3 . LEU 78 78 52520 3 . GLY 79 79 52520 3 . THR 80 80 52520 3 . LEU 81 81 52520 3 . ARG 82 82 52520 3 . GLY 83 83 52520 3 . TYR 84 84 52520 3 . TYR 85 85 52520 3 . ASN 86 86 52520 3 . GLN 87 87 52520 3 . SER 88 88 52520 3 . GLU 89 89 52520 3 . ALA 90 90 52520 3 . GLY 91 91 52520 3 . SER 92 92 52520 3 . HIS 93 93 52520 3 . THR 94 94 52520 3 . VAL 95 95 52520 3 . GLN 96 96 52520 3 . ARG 97 97 52520 3 . MET 98 98 52520 3 . TYR 99 99 52520 3 . GLY 100 100 52520 3 . CYS 101 101 52520 3 . ASP 102 102 52520 3 . VAL 103 103 52520 3 . GLY 104 104 52520 3 . SER 105 105 52520 3 . ASP 106 106 52520 3 . TRP 107 107 52520 3 . ARG 108 108 52520 3 . PHE 109 109 52520 3 . LEU 110 110 52520 3 . ARG 111 111 52520 3 . GLY 112 112 52520 3 . TYR 113 113 52520 3 . HIS 114 114 52520 3 . GLN 115 115 52520 3 . TYR 116 116 52520 3 . ALA 117 117 52520 3 . TYR 118 118 52520 3 . ASP 119 119 52520 3 . GLY 120 120 52520 3 . LYS 121 121 52520 3 . ASP 122 122 52520 3 . TYR 123 123 52520 3 . ILE 124 124 52520 3 . ALA 125 125 52520 3 . LEU 126 126 52520 3 . LYS 127 127 52520 3 . GLU 128 128 52520 3 . ASP 129 129 52520 3 . LEU 130 130 52520 3 . ARG 131 131 52520 3 . SER 132 132 52520 3 . TRP 133 133 52520 3 . THR 134 134 52520 3 . ALA 135 135 52520 3 . ALA 136 136 52520 3 . ASP 137 137 52520 3 . MET 138 138 52520 3 . ALA 139 139 52520 3 . ALA 140 140 52520 3 . GLN 141 141 52520 3 . THR 142 142 52520 3 . THR 143 143 52520 3 . LYS 144 144 52520 3 . HIS 145 145 52520 3 . LYS 146 146 52520 3 . TRP 147 147 52520 3 . GLU 148 148 52520 3 . ALA 149 149 52520 3 . ALA 150 150 52520 3 . HIS 151 151 52520 3 . VAL 152 152 52520 3 . ALA 153 153 52520 3 . GLU 154 154 52520 3 . GLN 155 155 52520 3 . LEU 156 156 52520 3 . ARG 157 157 52520 3 . ALA 158 158 52520 3 . TYR 159 159 52520 3 . LEU 160 160 52520 3 . GLU 161 161 52520 3 . GLY 162 162 52520 3 . THR 163 163 52520 3 . CYS 164 164 52520 3 . VAL 165 165 52520 3 . GLU 166 166 52520 3 . TRP 167 167 52520 3 . LEU 168 168 52520 3 . ARG 169 169 52520 3 . ARG 170 170 52520 3 . TYR 171 171 52520 3 . LEU 172 172 52520 3 . GLU 173 173 52520 3 . ASN 174 174 52520 3 . GLY 175 175 52520 3 . LYS 176 176 52520 3 . GLU 177 177 52520 3 . THR 178 178 52520 3 . LEU 179 179 52520 3 . GLN 180 180 52520 3 . ARG 181 181 52520 3 . THR 182 182 52520 3 . ASP 183 183 52520 3 . ALA 184 184 52520 3 . PRO 185 185 52520 3 . LYS 186 186 52520 3 . THR 187 187 52520 3 . HIS 188 188 52520 3 . MET 189 189 52520 3 . THR 190 190 52520 3 . HIS 191 191 52520 3 . HIS 192 192 52520 3 . ALA 193 193 52520 3 . VAL 194 194 52520 3 . SER 195 195 52520 3 . ASP 196 196 52520 3 . HIS 197 197 52520 3 . GLU 198 198 52520 3 . ALA 199 199 52520 3 . THR 200 200 52520 3 . LEU 201 201 52520 3 . ARG 202 202 52520 3 . CYS 203 203 52520 3 . TRP 204 204 52520 3 . ALA 205 205 52520 3 . LEU 206 206 52520 3 . SER 207 207 52520 3 . PHE 208 208 52520 3 . TYR 209 209 52520 3 . PRO 210 210 52520 3 . ALA 211 211 52520 3 . GLU 212 212 52520 3 . ILE 213 213 52520 3 . THR 214 214 52520 3 . LEU 215 215 52520 3 . THR 216 216 52520 3 . TRP 217 217 52520 3 . GLN 218 218 52520 3 . ARG 219 219 52520 3 . ASP 220 220 52520 3 . GLY 221 221 52520 3 . GLU 222 222 52520 3 . ASP 223 223 52520 3 . GLN 224 224 52520 3 . THR 225 225 52520 3 . GLN 226 226 52520 3 . ASP 227 227 52520 3 . THR 228 228 52520 3 . GLU 229 229 52520 3 . LEU 230 230 52520 3 . VAL 231 231 52520 3 . GLU 232 232 52520 3 . THR 233 233 52520 3 . ARG 234 234 52520 3 . PRO 235 235 52520 3 . ALA 236 236 52520 3 . GLY 237 237 52520 3 . ASP 238 238 52520 3 . GLY 239 239 52520 3 . THR 240 240 52520 3 . PHE 241 241 52520 3 . GLN 242 242 52520 3 . LYS 243 243 52520 3 . TRP 244 244 52520 3 . ALA 245 245 52520 3 . ALA 246 246 52520 3 . VAL 247 247 52520 3 . VAL 248 248 52520 3 . VAL 249 249 52520 3 . PRO 250 250 52520 3 . SER 251 251 52520 3 . GLY 252 252 52520 3 . GLN 253 253 52520 3 . GLU 254 254 52520 3 . GLN 255 255 52520 3 . ARG 256 256 52520 3 . TYR 257 257 52520 3 . THR 258 258 52520 3 . CYS 259 259 52520 3 . HIS 260 260 52520 3 . VAL 261 261 52520 3 . GLN 262 262 52520 3 . HIS 263 263 52520 3 . GLU 264 264 52520 3 . GLY 265 265 52520 3 . LEU 266 266 52520 3 . PRO 267 267 52520 3 . LYS 268 268 52520 3 . PRO 269 269 52520 3 . LEU 270 270 52520 3 . THR 271 271 52520 3 . LEU 272 272 52520 3 . ARG 273 273 52520 3 . TRP 274 274 52520 3 . GLU 275 275 52520 3 . PRO 276 276 52520 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 52520 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _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 ; MGTQEGWCLLLCLALSGAAE TKPHPAEGQWRAVDVVLDCF LVKDGAHRGALASSEDRARA SLVLKQVPVLDDGSLEDFTD FQGGTLAQDDPPIIFEASVD LVQIPQAEALLHADSSGKEV TCEIFRYFLQMTETTVKTAA WFMANVQVSGGGPSISLVMK TPRVAKNEVLWHPTLNLPLS PQGTVRTAVEFQVMTQTQSL SFLLGSSASLDCGFSMAPGL DLISVEWRLQHLGRGQLVYS WTAGQGQAVRKGATLEPAQL GMARDASLTLPGLTIQDEGT YICQITTSLYQAQQIIQLNI QASPKVRLSLANEALLPTLI CDIAGYYPLDVVVTWTREEL GGSPAQVSGASFSSLRQSVA GTYSISSSLTAEPGSAGATY TCQVTHISLEEPLGASTQVV PPERRLEGGLEVLFQGPGGG LNDIFEAQKIEWHEGGHHHH HH ; _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 442 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 4 _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 . MET . 52520 4 2 . GLY . 52520 4 3 . THR . 52520 4 4 . GLN . 52520 4 5 . GLU . 52520 4 6 . GLY . 52520 4 7 . TRP . 52520 4 8 . CYS . 52520 4 9 . LEU . 52520 4 10 . LEU . 52520 4 11 . LEU . 52520 4 12 . CYS . 52520 4 13 . LEU . 52520 4 14 . ALA . 52520 4 15 . LEU . 52520 4 16 . SER . 52520 4 17 . GLY . 52520 4 18 . ALA . 52520 4 19 . ALA . 52520 4 20 . GLU . 52520 4 21 . THR . 52520 4 22 . LYS . 52520 4 23 . PRO . 52520 4 24 . HIS . 52520 4 25 . PRO . 52520 4 26 . ALA . 52520 4 27 . GLU . 52520 4 28 . GLY . 52520 4 29 . GLN . 52520 4 30 . TRP . 52520 4 31 . ARG . 52520 4 32 . ALA . 52520 4 33 . VAL . 52520 4 34 . ASP . 52520 4 35 . VAL . 52520 4 36 . VAL . 52520 4 37 . LEU . 52520 4 38 . ASP . 52520 4 39 . CYS . 52520 4 40 . PHE . 52520 4 41 . LEU . 52520 4 42 . VAL . 52520 4 43 . LYS . 52520 4 44 . ASP . 52520 4 45 . GLY . 52520 4 46 . ALA . 52520 4 47 . HIS . 52520 4 48 . ARG . 52520 4 49 . GLY . 52520 4 50 . ALA . 52520 4 51 . LEU . 52520 4 52 . ALA . 52520 4 53 . SER . 52520 4 54 . SER . 52520 4 55 . GLU . 52520 4 56 . ASP . 52520 4 57 . ARG . 52520 4 58 . ALA . 52520 4 59 . ARG . 52520 4 60 . ALA . 52520 4 61 . SER . 52520 4 62 . LEU . 52520 4 63 . VAL . 52520 4 64 . LEU . 52520 4 65 . LYS . 52520 4 66 . GLN . 52520 4 67 . VAL . 52520 4 68 . PRO . 52520 4 69 . VAL . 52520 4 70 . LEU . 52520 4 71 . ASP . 52520 4 72 . ASP . 52520 4 73 . GLY . 52520 4 74 . SER . 52520 4 75 . LEU . 52520 4 76 . GLU . 52520 4 77 . ASP . 52520 4 78 . PHE . 52520 4 79 . THR . 52520 4 80 . ASP . 52520 4 81 . PHE . 52520 4 82 . GLN . 52520 4 83 . GLY . 52520 4 84 . GLY . 52520 4 85 . THR . 52520 4 86 . LEU . 52520 4 87 . ALA . 52520 4 88 . GLN . 52520 4 89 . ASP . 52520 4 90 . ASP . 52520 4 91 . PRO . 52520 4 92 . PRO . 52520 4 93 . ILE . 52520 4 94 . ILE . 52520 4 95 . PHE . 52520 4 96 . GLU . 52520 4 97 . ALA . 52520 4 98 . SER . 52520 4 99 . VAL . 52520 4 100 . ASP . 52520 4 101 . LEU . 52520 4 102 . VAL . 52520 4 103 . GLN . 52520 4 104 . ILE . 52520 4 105 . PRO . 52520 4 106 . GLN . 52520 4 107 . ALA . 52520 4 108 . GLU . 52520 4 109 . ALA . 52520 4 110 . LEU . 52520 4 111 . LEU . 52520 4 112 . HIS . 52520 4 113 . ALA . 52520 4 114 . ASP . 52520 4 115 . SER . 52520 4 116 . SER . 52520 4 117 . GLY . 52520 4 118 . LYS . 52520 4 119 . GLU . 52520 4 120 . VAL . 52520 4 121 . THR . 52520 4 122 . CYS . 52520 4 123 . GLU . 52520 4 124 . ILE . 52520 4 125 . PHE . 52520 4 126 . ARG . 52520 4 127 . TYR . 52520 4 128 . PHE . 52520 4 129 . LEU . 52520 4 130 . GLN . 52520 4 131 . MET . 52520 4 132 . THR . 52520 4 133 . GLU . 52520 4 134 . THR . 52520 4 135 . THR . 52520 4 136 . VAL . 52520 4 137 . LYS . 52520 4 138 . THR . 52520 4 139 . ALA . 52520 4 140 . ALA . 52520 4 141 . TRP . 52520 4 142 . PHE . 52520 4 143 . MET . 52520 4 144 . ALA . 52520 4 145 . ASN . 52520 4 146 . VAL . 52520 4 147 . GLN . 52520 4 148 . VAL . 52520 4 149 . SER . 52520 4 150 . GLY . 52520 4 151 . GLY . 52520 4 152 . GLY . 52520 4 153 . PRO . 52520 4 154 . SER . 52520 4 155 . ILE . 52520 4 156 . SER . 52520 4 157 . LEU . 52520 4 158 . VAL . 52520 4 159 . MET . 52520 4 160 . LYS . 52520 4 161 . THR . 52520 4 162 . PRO . 52520 4 163 . ARG . 52520 4 164 . VAL . 52520 4 165 . ALA . 52520 4 166 . LYS . 52520 4 167 . ASN . 52520 4 168 . GLU . 52520 4 169 . VAL . 52520 4 170 . LEU . 52520 4 171 . TRP . 52520 4 172 . HIS . 52520 4 173 . PRO . 52520 4 174 . THR . 52520 4 175 . LEU . 52520 4 176 . ASN . 52520 4 177 . LEU . 52520 4 178 . PRO . 52520 4 179 . LEU . 52520 4 180 . SER . 52520 4 181 . PRO . 52520 4 182 . GLN . 52520 4 183 . GLY . 52520 4 184 . THR . 52520 4 185 . VAL . 52520 4 186 . ARG . 52520 4 187 . THR . 52520 4 188 . ALA . 52520 4 189 . VAL . 52520 4 190 . GLU . 52520 4 191 . PHE . 52520 4 192 . GLN . 52520 4 193 . VAL . 52520 4 194 . MET . 52520 4 195 . THR . 52520 4 196 . GLN . 52520 4 197 . THR . 52520 4 198 . GLN . 52520 4 199 . SER . 52520 4 200 . LEU . 52520 4 201 . SER . 52520 4 202 . PHE . 52520 4 203 . LEU . 52520 4 204 . LEU . 52520 4 205 . GLY . 52520 4 206 . SER . 52520 4 207 . SER . 52520 4 208 . ALA . 52520 4 209 . SER . 52520 4 210 . LEU . 52520 4 211 . ASP . 52520 4 212 . CYS . 52520 4 213 . GLY . 52520 4 214 . PHE . 52520 4 215 . SER . 52520 4 216 . MET . 52520 4 217 . ALA . 52520 4 218 . PRO . 52520 4 219 . GLY . 52520 4 220 . LEU . 52520 4 221 . ASP . 52520 4 222 . LEU . 52520 4 223 . ILE . 52520 4 224 . SER . 52520 4 225 . VAL . 52520 4 226 . GLU . 52520 4 227 . TRP . 52520 4 228 . ARG . 52520 4 229 . LEU . 52520 4 230 . GLN . 52520 4 231 . HIS . 52520 4 232 . LEU . 52520 4 233 . GLY . 52520 4 234 . ARG . 52520 4 235 . GLY . 52520 4 236 . GLN . 52520 4 237 . LEU . 52520 4 238 . VAL . 52520 4 239 . TYR . 52520 4 240 . SER . 52520 4 241 . TRP . 52520 4 242 . THR . 52520 4 243 . ALA . 52520 4 244 . GLY . 52520 4 245 . GLN . 52520 4 246 . GLY . 52520 4 247 . GLN . 52520 4 248 . ALA . 52520 4 249 . VAL . 52520 4 250 . ARG . 52520 4 251 . LYS . 52520 4 252 . GLY . 52520 4 253 . ALA . 52520 4 254 . THR . 52520 4 255 . LEU . 52520 4 256 . GLU . 52520 4 257 . PRO . 52520 4 258 . ALA . 52520 4 259 . GLN . 52520 4 260 . LEU . 52520 4 261 . GLY . 52520 4 262 . MET . 52520 4 263 . ALA . 52520 4 264 . ARG . 52520 4 265 . ASP . 52520 4 266 . ALA . 52520 4 267 . SER . 52520 4 268 . LEU . 52520 4 269 . THR . 52520 4 270 . LEU . 52520 4 271 . PRO . 52520 4 272 . GLY . 52520 4 273 . LEU . 52520 4 274 . THR . 52520 4 275 . ILE . 52520 4 276 . GLN . 52520 4 277 . ASP . 52520 4 278 . GLU . 52520 4 279 . GLY . 52520 4 280 . THR . 52520 4 281 . TYR . 52520 4 282 . ILE . 52520 4 283 . CYS . 52520 4 284 . GLN . 52520 4 285 . ILE . 52520 4 286 . THR . 52520 4 287 . THR . 52520 4 288 . SER . 52520 4 289 . LEU . 52520 4 290 . TYR . 52520 4 291 . GLN . 52520 4 292 . ALA . 52520 4 293 . GLN . 52520 4 294 . GLN . 52520 4 295 . ILE . 52520 4 296 . ILE . 52520 4 297 . GLN . 52520 4 298 . LEU . 52520 4 299 . ASN . 52520 4 300 . ILE . 52520 4 301 . GLN . 52520 4 302 . ALA . 52520 4 303 . SER . 52520 4 304 . PRO . 52520 4 305 . LYS . 52520 4 306 . VAL . 52520 4 307 . ARG . 52520 4 308 . LEU . 52520 4 309 . SER . 52520 4 310 . LEU . 52520 4 311 . ALA . 52520 4 312 . ASN . 52520 4 313 . GLU . 52520 4 314 . ALA . 52520 4 315 . LEU . 52520 4 316 . LEU . 52520 4 317 . PRO . 52520 4 318 . THR . 52520 4 319 . LEU . 52520 4 320 . ILE . 52520 4 321 . CYS . 52520 4 322 . ASP . 52520 4 323 . ILE . 52520 4 324 . ALA . 52520 4 325 . GLY . 52520 4 326 . TYR . 52520 4 327 . TYR . 52520 4 328 . PRO . 52520 4 329 . LEU . 52520 4 330 . ASP . 52520 4 331 . VAL . 52520 4 332 . VAL . 52520 4 333 . VAL . 52520 4 334 . THR . 52520 4 335 . TRP . 52520 4 336 . THR . 52520 4 337 . ARG . 52520 4 338 . GLU . 52520 4 339 . GLU . 52520 4 340 . LEU . 52520 4 341 . GLY . 52520 4 342 . GLY . 52520 4 343 . SER . 52520 4 344 . PRO . 52520 4 345 . ALA . 52520 4 346 . GLN . 52520 4 347 . VAL . 52520 4 348 . SER . 52520 4 349 . GLY . 52520 4 350 . ALA . 52520 4 351 . SER . 52520 4 352 . PHE . 52520 4 353 . SER . 52520 4 354 . SER . 52520 4 355 . LEU . 52520 4 356 . ARG . 52520 4 357 . GLN . 52520 4 358 . SER . 52520 4 359 . VAL . 52520 4 360 . ALA . 52520 4 361 . GLY . 52520 4 362 . THR . 52520 4 363 . TYR . 52520 4 364 . SER . 52520 4 365 . ILE . 52520 4 366 . SER . 52520 4 367 . SER . 52520 4 368 . SER . 52520 4 369 . LEU . 52520 4 370 . THR . 52520 4 371 . ALA . 52520 4 372 . GLU . 52520 4 373 . PRO . 52520 4 374 . GLY . 52520 4 375 . SER . 52520 4 376 . ALA . 52520 4 377 . GLY . 52520 4 378 . ALA . 52520 4 379 . THR . 52520 4 380 . TYR . 52520 4 381 . THR . 52520 4 382 . CYS . 52520 4 383 . GLN . 52520 4 384 . VAL . 52520 4 385 . THR . 52520 4 386 . HIS . 52520 4 387 . ILE . 52520 4 388 . SER . 52520 4 389 . LEU . 52520 4 390 . GLU . 52520 4 391 . GLU . 52520 4 392 . PRO . 52520 4 393 . LEU . 52520 4 394 . GLY . 52520 4 395 . ALA . 52520 4 396 . SER . 52520 4 397 . THR . 52520 4 398 . GLN . 52520 4 399 . VAL . 52520 4 400 . VAL . 52520 4 401 . PRO . 52520 4 402 . PRO . 52520 4 403 . GLU . 52520 4 404 . ARG . 52520 4 405 . ARG . 52520 4 406 . LEU . 52520 4 407 . GLU . 52520 4 408 . GLY . 52520 4 409 . GLY . 52520 4 410 . LEU . 52520 4 411 . GLU . 52520 4 412 . VAL . 52520 4 413 . LEU . 52520 4 414 . PHE . 52520 4 415 . GLN . 52520 4 416 . GLY . 52520 4 417 . PRO . 52520 4 418 . GLY . 52520 4 419 . GLY . 52520 4 420 . GLY . 52520 4 421 . LEU . 52520 4 422 . ASN . 52520 4 423 . ASP . 52520 4 424 . ILE . 52520 4 425 . PHE . 52520 4 426 . GLU . 52520 4 427 . ALA . 52520 4 428 . GLN . 52520 4 429 . LYS . 52520 4 430 . ILE . 52520 4 431 . GLU . 52520 4 432 . TRP . 52520 4 433 . HIS . 52520 4 434 . GLU . 52520 4 435 . GLY . 52520 4 436 . GLY . 52520 4 437 . HIS . 52520 4 438 . HIS . 52520 4 439 . HIS . 52520 4 440 . HIS . 52520 4 441 . HIS . 52520 4 442 . HIS . 52520 4 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 . MET 1 1 52520 4 . GLY 2 2 52520 4 . THR 3 3 52520 4 . GLN 4 4 52520 4 . GLU 5 5 52520 4 . GLY 6 6 52520 4 . TRP 7 7 52520 4 . CYS 8 8 52520 4 . LEU 9 9 52520 4 . LEU 10 10 52520 4 . LEU 11 11 52520 4 . CYS 12 12 52520 4 . LEU 13 13 52520 4 . ALA 14 14 52520 4 . LEU 15 15 52520 4 . SER 16 16 52520 4 . GLY 17 17 52520 4 . ALA 18 18 52520 4 . ALA 19 19 52520 4 . GLU 20 20 52520 4 . THR 21 21 52520 4 . LYS 22 22 52520 4 . PRO 23 23 52520 4 . HIS 24 24 52520 4 . PRO 25 25 52520 4 . ALA 26 26 52520 4 . GLU 27 27 52520 4 . GLY 28 28 52520 4 . GLN 29 29 52520 4 . TRP 30 30 52520 4 . ARG 31 31 52520 4 . ALA 32 32 52520 4 . VAL 33 33 52520 4 . ASP 34 34 52520 4 . VAL 35 35 52520 4 . VAL 36 36 52520 4 . LEU 37 37 52520 4 . ASP 38 38 52520 4 . CYS 39 39 52520 4 . PHE 40 40 52520 4 . LEU 41 41 52520 4 . VAL 42 42 52520 4 . LYS 43 43 52520 4 . ASP 44 44 52520 4 . GLY 45 45 52520 4 . ALA 46 46 52520 4 . HIS 47 47 52520 4 . ARG 48 48 52520 4 . GLY 49 49 52520 4 . ALA 50 50 52520 4 . LEU 51 51 52520 4 . ALA 52 52 52520 4 . SER 53 53 52520 4 . SER 54 54 52520 4 . GLU 55 55 52520 4 . ASP 56 56 52520 4 . ARG 57 57 52520 4 . ALA 58 58 52520 4 . ARG 59 59 52520 4 . ALA 60 60 52520 4 . SER 61 61 52520 4 . LEU 62 62 52520 4 . VAL 63 63 52520 4 . LEU 64 64 52520 4 . LYS 65 65 52520 4 . GLN 66 66 52520 4 . VAL 67 67 52520 4 . PRO 68 68 52520 4 . VAL 69 69 52520 4 . LEU 70 70 52520 4 . ASP 71 71 52520 4 . ASP 72 72 52520 4 . GLY 73 73 52520 4 . SER 74 74 52520 4 . LEU 75 75 52520 4 . GLU 76 76 52520 4 . ASP 77 77 52520 4 . PHE 78 78 52520 4 . THR 79 79 52520 4 . ASP 80 80 52520 4 . PHE 81 81 52520 4 . GLN 82 82 52520 4 . GLY 83 83 52520 4 . GLY 84 84 52520 4 . THR 85 85 52520 4 . LEU 86 86 52520 4 . ALA 87 87 52520 4 . GLN 88 88 52520 4 . ASP 89 89 52520 4 . ASP 90 90 52520 4 . PRO 91 91 52520 4 . PRO 92 92 52520 4 . ILE 93 93 52520 4 . ILE 94 94 52520 4 . PHE 95 95 52520 4 . GLU 96 96 52520 4 . ALA 97 97 52520 4 . SER 98 98 52520 4 . VAL 99 99 52520 4 . ASP 100 100 52520 4 . LEU 101 101 52520 4 . VAL 102 102 52520 4 . GLN 103 103 52520 4 . ILE 104 104 52520 4 . PRO 105 105 52520 4 . GLN 106 106 52520 4 . ALA 107 107 52520 4 . GLU 108 108 52520 4 . ALA 109 109 52520 4 . LEU 110 110 52520 4 . LEU 111 111 52520 4 . HIS 112 112 52520 4 . ALA 113 113 52520 4 . ASP 114 114 52520 4 . SER 115 115 52520 4 . SER 116 116 52520 4 . GLY 117 117 52520 4 . LYS 118 118 52520 4 . GLU 119 119 52520 4 . VAL 120 120 52520 4 . THR 121 121 52520 4 . CYS 122 122 52520 4 . GLU 123 123 52520 4 . ILE 124 124 52520 4 . PHE 125 125 52520 4 . ARG 126 126 52520 4 . TYR 127 127 52520 4 . PHE 128 128 52520 4 . LEU 129 129 52520 4 . GLN 130 130 52520 4 . MET 131 131 52520 4 . THR 132 132 52520 4 . GLU 133 133 52520 4 . THR 134 134 52520 4 . THR 135 135 52520 4 . VAL 136 136 52520 4 . LYS 137 137 52520 4 . THR 138 138 52520 4 . ALA 139 139 52520 4 . ALA 140 140 52520 4 . TRP 141 141 52520 4 . PHE 142 142 52520 4 . MET 143 143 52520 4 . ALA 144 144 52520 4 . ASN 145 145 52520 4 . VAL 146 146 52520 4 . GLN 147 147 52520 4 . VAL 148 148 52520 4 . SER 149 149 52520 4 . GLY 150 150 52520 4 . GLY 151 151 52520 4 . GLY 152 152 52520 4 . PRO 153 153 52520 4 . SER 154 154 52520 4 . ILE 155 155 52520 4 . SER 156 156 52520 4 . LEU 157 157 52520 4 . VAL 158 158 52520 4 . MET 159 159 52520 4 . LYS 160 160 52520 4 . THR 161 161 52520 4 . PRO 162 162 52520 4 . ARG 163 163 52520 4 . VAL 164 164 52520 4 . ALA 165 165 52520 4 . LYS 166 166 52520 4 . ASN 167 167 52520 4 . GLU 168 168 52520 4 . VAL 169 169 52520 4 . LEU 170 170 52520 4 . TRP 171 171 52520 4 . HIS 172 172 52520 4 . PRO 173 173 52520 4 . THR 174 174 52520 4 . LEU 175 175 52520 4 . ASN 176 176 52520 4 . LEU 177 177 52520 4 . PRO 178 178 52520 4 . LEU 179 179 52520 4 . SER 180 180 52520 4 . PRO 181 181 52520 4 . GLN 182 182 52520 4 . GLY 183 183 52520 4 . THR 184 184 52520 4 . VAL 185 185 52520 4 . ARG 186 186 52520 4 . THR 187 187 52520 4 . ALA 188 188 52520 4 . VAL 189 189 52520 4 . GLU 190 190 52520 4 . PHE 191 191 52520 4 . GLN 192 192 52520 4 . VAL 193 193 52520 4 . MET 194 194 52520 4 . THR 195 195 52520 4 . GLN 196 196 52520 4 . THR 197 197 52520 4 . GLN 198 198 52520 4 . SER 199 199 52520 4 . LEU 200 200 52520 4 . SER 201 201 52520 4 . PHE 202 202 52520 4 . LEU 203 203 52520 4 . LEU 204 204 52520 4 . GLY 205 205 52520 4 . SER 206 206 52520 4 . SER 207 207 52520 4 . ALA 208 208 52520 4 . SER 209 209 52520 4 . LEU 210 210 52520 4 . ASP 211 211 52520 4 . CYS 212 212 52520 4 . GLY 213 213 52520 4 . PHE 214 214 52520 4 . SER 215 215 52520 4 . MET 216 216 52520 4 . ALA 217 217 52520 4 . PRO 218 218 52520 4 . GLY 219 219 52520 4 . LEU 220 220 52520 4 . ASP 221 221 52520 4 . LEU 222 222 52520 4 . ILE 223 223 52520 4 . SER 224 224 52520 4 . VAL 225 225 52520 4 . GLU 226 226 52520 4 . TRP 227 227 52520 4 . ARG 228 228 52520 4 . LEU 229 229 52520 4 . GLN 230 230 52520 4 . HIS 231 231 52520 4 . LEU 232 232 52520 4 . GLY 233 233 52520 4 . ARG 234 234 52520 4 . GLY 235 235 52520 4 . GLN 236 236 52520 4 . LEU 237 237 52520 4 . VAL 238 238 52520 4 . TYR 239 239 52520 4 . SER 240 240 52520 4 . TRP 241 241 52520 4 . THR 242 242 52520 4 . ALA 243 243 52520 4 . GLY 244 244 52520 4 . GLN 245 245 52520 4 . GLY 246 246 52520 4 . GLN 247 247 52520 4 . ALA 248 248 52520 4 . VAL 249 249 52520 4 . ARG 250 250 52520 4 . LYS 251 251 52520 4 . GLY 252 252 52520 4 . ALA 253 253 52520 4 . THR 254 254 52520 4 . LEU 255 255 52520 4 . GLU 256 256 52520 4 . PRO 257 257 52520 4 . ALA 258 258 52520 4 . GLN 259 259 52520 4 . LEU 260 260 52520 4 . GLY 261 261 52520 4 . MET 262 262 52520 4 . ALA 263 263 52520 4 . ARG 264 264 52520 4 . ASP 265 265 52520 4 . ALA 266 266 52520 4 . SER 267 267 52520 4 . LEU 268 268 52520 4 . THR 269 269 52520 4 . LEU 270 270 52520 4 . PRO 271 271 52520 4 . GLY 272 272 52520 4 . LEU 273 273 52520 4 . THR 274 274 52520 4 . ILE 275 275 52520 4 . GLN 276 276 52520 4 . ASP 277 277 52520 4 . GLU 278 278 52520 4 . GLY 279 279 52520 4 . THR 280 280 52520 4 . TYR 281 281 52520 4 . ILE 282 282 52520 4 . CYS 283 283 52520 4 . GLN 284 284 52520 4 . ILE 285 285 52520 4 . THR 286 286 52520 4 . THR 287 287 52520 4 . SER 288 288 52520 4 . LEU 289 289 52520 4 . TYR 290 290 52520 4 . GLN 291 291 52520 4 . ALA 292 292 52520 4 . GLN 293 293 52520 4 . GLN 294 294 52520 4 . ILE 295 295 52520 4 . ILE 296 296 52520 4 . GLN 297 297 52520 4 . LEU 298 298 52520 4 . ASN 299 299 52520 4 . ILE 300 300 52520 4 . GLN 301 301 52520 4 . ALA 302 302 52520 4 . SER 303 303 52520 4 . PRO 304 304 52520 4 . LYS 305 305 52520 4 . VAL 306 306 52520 4 . ARG 307 307 52520 4 . LEU 308 308 52520 4 . SER 309 309 52520 4 . LEU 310 310 52520 4 . ALA 311 311 52520 4 . ASN 312 312 52520 4 . GLU 313 313 52520 4 . ALA 314 314 52520 4 . LEU 315 315 52520 4 . LEU 316 316 52520 4 . PRO 317 317 52520 4 . THR 318 318 52520 4 . LEU 319 319 52520 4 . ILE 320 320 52520 4 . CYS 321 321 52520 4 . ASP 322 322 52520 4 . ILE 323 323 52520 4 . ALA 324 324 52520 4 . GLY 325 325 52520 4 . TYR 326 326 52520 4 . TYR 327 327 52520 4 . PRO 328 328 52520 4 . LEU 329 329 52520 4 . ASP 330 330 52520 4 . VAL 331 331 52520 4 . VAL 332 332 52520 4 . VAL 333 333 52520 4 . THR 334 334 52520 4 . TRP 335 335 52520 4 . THR 336 336 52520 4 . ARG 337 337 52520 4 . GLU 338 338 52520 4 . GLU 339 339 52520 4 . LEU 340 340 52520 4 . GLY 341 341 52520 4 . GLY 342 342 52520 4 . SER 343 343 52520 4 . PRO 344 344 52520 4 . ALA 345 345 52520 4 . GLN 346 346 52520 4 . VAL 347 347 52520 4 . SER 348 348 52520 4 . GLY 349 349 52520 4 . ALA 350 350 52520 4 . SER 351 351 52520 4 . PHE 352 352 52520 4 . SER 353 353 52520 4 . SER 354 354 52520 4 . LEU 355 355 52520 4 . ARG 356 356 52520 4 . GLN 357 357 52520 4 . SER 358 358 52520 4 . VAL 359 359 52520 4 . ALA 360 360 52520 4 . GLY 361 361 52520 4 . THR 362 362 52520 4 . TYR 363 363 52520 4 . SER 364 364 52520 4 . ILE 365 365 52520 4 . SER 366 366 52520 4 . SER 367 367 52520 4 . SER 368 368 52520 4 . LEU 369 369 52520 4 . THR 370 370 52520 4 . ALA 371 371 52520 4 . GLU 372 372 52520 4 . PRO 373 373 52520 4 . GLY 374 374 52520 4 . SER 375 375 52520 4 . ALA 376 376 52520 4 . GLY 377 377 52520 4 . ALA 378 378 52520 4 . THR 379 379 52520 4 . TYR 380 380 52520 4 . THR 381 381 52520 4 . CYS 382 382 52520 4 . GLN 383 383 52520 4 . VAL 384 384 52520 4 . THR 385 385 52520 4 . HIS 386 386 52520 4 . ILE 387 387 52520 4 . SER 388 388 52520 4 . LEU 389 389 52520 4 . GLU 390 390 52520 4 . GLU 391 391 52520 4 . PRO 392 392 52520 4 . LEU 393 393 52520 4 . GLY 394 394 52520 4 . ALA 395 395 52520 4 . SER 396 396 52520 4 . THR 397 397 52520 4 . GLN 398 398 52520 4 . VAL 399 399 52520 4 . VAL 400 400 52520 4 . PRO 401 401 52520 4 . PRO 402 402 52520 4 . GLU 403 403 52520 4 . ARG 404 404 52520 4 . ARG 405 405 52520 4 . LEU 406 406 52520 4 . GLU 407 407 52520 4 . GLY 408 408 52520 4 . GLY 409 409 52520 4 . LEU 410 410 52520 4 . GLU 411 411 52520 4 . VAL 412 412 52520 4 . LEU 413 413 52520 4 . PHE 414 414 52520 4 . GLN 415 415 52520 4 . GLY 416 416 52520 4 . PRO 417 417 52520 4 . GLY 418 418 52520 4 . GLY 419 419 52520 4 . GLY 420 420 52520 4 . LEU 421 421 52520 4 . ASN 422 422 52520 4 . ASP 423 423 52520 4 . ILE 424 424 52520 4 . PHE 425 425 52520 4 . GLU 426 426 52520 4 . ALA 427 427 52520 4 . GLN 428 428 52520 4 . LYS 429 429 52520 4 . ILE 430 430 52520 4 . GLU 431 431 52520 4 . TRP 432 432 52520 4 . HIS 433 433 52520 4 . GLU 434 434 52520 4 . GLY 435 435 52520 4 . GLY 436 436 52520 4 . HIS 437 437 52520 4 . HIS 438 438 52520 4 . HIS 439 439 52520 4 . HIS 440 440 52520 4 . HIS 441 441 52520 4 . HIS 442 442 52520 4 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 52520 _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 . . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . 52520 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52520 1 3 3 $entity_3 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52520 1 4 4 $entity_4 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 52520 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 52520 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . . 52520 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pEGMi04 . . . 52520 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET24a(+) . . . 52520 1 4 4 $entity_4 . 'recombinant technology' 'Drosophila melanogaster' . . . Drosophila melanogaster . . . plasmid . . pMT_puro . . . 52520 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52520 _Sample.ID 1 _Sample.Name 'AILV 15N HLA-A*02:01 in complex with TAX9, human_beta2m, TAPBPR_FLQ' _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 100 mM sodium chloride, 5% D2O, 0.001 M sodium azide, pH 7.2' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 TAX9 'natural abundance' . . 1 $entity_1 . . 103 . . uM . . . . 52520 1 2 HLA-A*02:01 '[U-15N; U-2H;] 13CH3-Ile, Leu, Val' . . 3 $entity_3 . . 103 . . uM . . . . 52520 1 3 human_beta2m 'natural abundance' . . 2 $entity_2 . . 103 . . uM . . . . 52520 1 4 'Chaperone TAPBPR_FLQ' 'natural abundance' . . 4 $entity_4 . . 341 . . uM . . . . 52520 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52520 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52520 1 7 'sodium azide' 'natural abundance' . . . . . . 0.001 . . M . . . . 52520 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 52520 _Sample_condition_list.ID 1 _Sample_condition_list.Name Standard _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' 0.1 . M 52520 1 pH 7.2 . pH 52520 1 pressure 1 . atm 52520 1 temperature 298 . K 52520 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52520 _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 . 52520 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52520 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'processing and visualization' . 52520 2 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 52520 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52520 _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-13C HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52520 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 52520 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Ref _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 water 'methyl carbon' . . . . ppm 4.7 internal direct 1 . . . . . 52520 1 H 1 water 'methyl protons' . . . . ppm 4.7 internal direct 1 . . . . . 52520 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 52520 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TAPBPR FLQ-bound HLA-A*02:01/human_beta2m/TAX9' _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-13C HMQC' . . . 52520 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52520 1 2 $software_2 . . 52520 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 . 3 . 3 12 12 VAL HG11 H 1 0.908 . . 1 . . . . . 12 V QG1 . 52520 1 2 . 3 . 3 12 12 VAL HG12 H 1 0.908 . . 1 . . . . . 12 V QG1 . 52520 1 3 . 3 . 3 12 12 VAL HG13 H 1 0.908 . . 1 . . . . . 12 V QG1 . 52520 1 4 . 3 . 3 12 12 VAL HG21 H 1 0.912 . . 1 . . . . . 12 V QG2 . 52520 1 5 . 3 . 3 12 12 VAL HG22 H 1 0.912 . . 1 . . . . . 12 V QG2 . 52520 1 6 . 3 . 3 12 12 VAL HG23 H 1 0.912 . . 1 . . . . . 12 V QG2 . 52520 1 7 . 3 . 3 12 12 VAL CG1 C 13 20.333 . . 1 . . . . . 12 V CG1 . 52520 1 8 . 3 . 3 12 12 VAL CG2 C 13 21.068 . . 1 . . . . . 12 V CG2 . 52520 1 9 . 3 . 3 23 23 ILE HD11 H 1 0.817 . . 1 . . . . . 23 I QD1 . 52520 1 10 . 3 . 3 23 23 ILE HD12 H 1 0.817 . . 1 . . . . . 23 I QD1 . 52520 1 11 . 3 . 3 23 23 ILE HD13 H 1 0.817 . . 1 . . . . . 23 I QD1 . 52520 1 12 . 3 . 3 23 23 ILE CD1 C 13 14.105 . . 1 . . . . . 23 I CD1 . 52520 1 13 . 3 . 3 24 24 ALA HB1 H 1 1.278 . . 1 . . . . . 24 A HB# . 52520 1 14 . 3 . 3 24 24 ALA HB2 H 1 1.278 . . 1 . . . . . 24 A HB# . 52520 1 15 . 3 . 3 24 24 ALA HB3 H 1 1.278 . . 1 . . . . . 24 A HB# . 52520 1 16 . 3 . 3 25 25 VAL HG11 H 1 0.922 . . 1 . . . . . 25 V QG1 . 52520 1 17 . 3 . 3 25 25 VAL HG12 H 1 0.922 . . 1 . . . . . 25 V QG1 . 52520 1 18 . 3 . 3 25 25 VAL HG13 H 1 0.922 . . 1 . . . . . 25 V QG1 . 52520 1 19 . 3 . 3 25 25 VAL CG1 C 13 23.501 . . 1 . . . . . 25 V CG1 . 52520 1 20 . 3 . 3 28 28 VAL HG11 H 1 0.868 . . 1 . . . . . 28 V QG1 . 52520 1 21 . 3 . 3 28 28 VAL HG12 H 1 0.868 . . 1 . . . . . 28 V QG1 . 52520 1 22 . 3 . 3 28 28 VAL HG13 H 1 0.868 . . 1 . . . . . 28 V QG1 . 52520 1 23 . 3 . 3 28 28 VAL HG21 H 1 0.734 . . 1 . . . . . 28 V QG2 . 52520 1 24 . 3 . 3 28 28 VAL HG22 H 1 0.734 . . 1 . . . . . 28 V QG2 . 52520 1 25 . 3 . 3 28 28 VAL HG23 H 1 0.734 . . 1 . . . . . 28 V QG2 . 52520 1 26 . 3 . 3 28 28 VAL CG1 C 13 22.148 . . 1 . . . . . 28 V CG1 . 52520 1 27 . 3 . 3 28 28 VAL CG2 C 13 22.472 . . 1 . . . . . 28 V CG2 . 52520 1 28 . 3 . 3 34 34 VAL HG21 H 1 0.273 . . 1 . . . . . 34 V QG2 . 52520 1 29 . 3 . 3 34 34 VAL HG22 H 1 0.273 . . 1 . . . . . 34 V QG2 . 52520 1 30 . 3 . 3 34 34 VAL HG23 H 1 0.273 . . 1 . . . . . 34 V QG2 . 52520 1 31 . 3 . 3 34 34 VAL CG2 C 13 16.707 . . 1 . . . . . 34 V CG2 . 52520 1 32 . 3 . 3 40 40 ALA HB1 H 1 1.607 . . 1 . . . . . 40 A HB# . 52520 1 33 . 3 . 3 40 40 ALA HB2 H 1 1.607 . . 1 . . . . . 40 A HB# . 52520 1 34 . 3 . 3 40 40 ALA HB3 H 1 1.607 . . 1 . . . . . 40 A HB# . 52520 1 35 . 3 . 3 41 41 ALA HB1 H 1 1.450 . . 1 . . . . . 41 A HB# . 52520 1 36 . 3 . 3 41 41 ALA HB2 H 1 1.450 . . 1 . . . . . 41 A HB# . 52520 1 37 . 3 . 3 41 41 ALA HB3 H 1 1.450 . . 1 . . . . . 41 A HB# . 52520 1 38 . 3 . 3 49 49 ALA HB1 H 1 0.704 . . 1 . . . . . 49 A HB# . 52520 1 39 . 3 . 3 49 49 ALA HB2 H 1 0.704 . . 1 . . . . . 49 A HB# . 52520 1 40 . 3 . 3 49 49 ALA HB3 H 1 0.704 . . 1 . . . . . 49 A HB# . 52520 1 41 . 3 . 3 52 52 ILE HD11 H 1 0.962 . . 1 . . . . . 52 I QD1 . 52520 1 42 . 3 . 3 52 52 ILE HD12 H 1 0.962 . . 1 . . . . . 52 I QD1 . 52520 1 43 . 3 . 3 52 52 ILE HD13 H 1 0.962 . . 1 . . . . . 52 I QD1 . 52520 1 44 . 3 . 3 52 52 ILE CD1 C 13 15.923 . . 1 . . . . . 52 I CD1 . 52520 1 45 . 3 . 3 67 67 VAL HG11 H 1 0.567 . . 1 . . . . . 67 V QG1 . 52520 1 46 . 3 . 3 67 67 VAL HG12 H 1 0.567 . . 1 . . . . . 67 V QG1 . 52520 1 47 . 3 . 3 67 67 VAL HG13 H 1 0.567 . . 1 . . . . . 67 V QG1 . 52520 1 48 . 3 . 3 67 67 VAL HG21 H 1 1.019 . . 1 . . . . . 67 V QG2 . 52520 1 49 . 3 . 3 67 67 VAL HG22 H 1 1.019 . . 1 . . . . . 67 V QG2 . 52520 1 50 . 3 . 3 67 67 VAL HG23 H 1 1.019 . . 1 . . . . . 67 V QG2 . 52520 1 51 . 3 . 3 67 67 VAL CG1 C 13 20.598 . . 1 . . . . . 67 V CG1 . 52520 1 52 . 3 . 3 67 67 VAL CG2 C 13 24.367 . . 1 . . . . . 67 V CG2 . 52520 1 53 . 3 . 3 69 69 ALA HB1 H 1 1.408 . . 1 . . . . . 69 A HB# . 52520 1 54 . 3 . 3 69 69 ALA HB2 H 1 1.408 . . 1 . . . . . 69 A HB# . 52520 1 55 . 3 . 3 69 69 ALA HB3 H 1 1.408 . . 1 . . . . . 69 A HB# . 52520 1 56 . 3 . 3 76 76 VAL HG11 H 1 1.191 . . 1 . . . . . 76 V QG1 . 52520 1 57 . 3 . 3 76 76 VAL HG12 H 1 1.191 . . 1 . . . . . 76 V QG1 . 52520 1 58 . 3 . 3 76 76 VAL HG13 H 1 1.191 . . 1 . . . . . 76 V QG1 . 52520 1 59 . 3 . 3 76 76 VAL HG21 H 1 0.751 . . 1 . . . . . 76 V QG2 . 52520 1 60 . 3 . 3 76 76 VAL HG22 H 1 0.751 . . 1 . . . . . 76 V QG2 . 52520 1 61 . 3 . 3 76 76 VAL HG23 H 1 0.751 . . 1 . . . . . 76 V QG2 . 52520 1 62 . 3 . 3 76 76 VAL CG1 C 13 22.928 . . 1 . . . . . 76 V CG1 . 52520 1 63 . 3 . 3 76 76 VAL CG2 C 13 20.792 . . 1 . . . . . 76 V CG2 . 52520 1 64 . 3 . 3 78 78 LEU HD11 H 1 1.124 . . 1 . . . . . 78 L QD1 . 52520 1 65 . 3 . 3 78 78 LEU HD12 H 1 1.124 . . 1 . . . . . 78 L QD1 . 52520 1 66 . 3 . 3 78 78 LEU HD13 H 1 1.124 . . 1 . . . . . 78 L QD1 . 52520 1 67 . 3 . 3 78 78 LEU HD21 H 1 0.921 . . 1 . . . . . 78 L QD2 . 52520 1 68 . 3 . 3 78 78 LEU HD22 H 1 0.921 . . 1 . . . . . 78 L QD2 . 52520 1 69 . 3 . 3 78 78 LEU HD23 H 1 0.921 . . 1 . . . . . 78 L QD2 . 52520 1 70 . 3 . 3 78 78 LEU CD1 C 13 24.353 . . 1 . . . . . 78 L CD1 . 52520 1 71 . 3 . 3 78 78 LEU CD2 C 13 26.869 . . 1 . . . . . 78 L CD2 . 52520 1 72 . 3 . 3 81 81 LEU HD21 H 1 0.061 . . 1 . . . . . 81 L QD2 . 52520 1 73 . 3 . 3 81 81 LEU HD22 H 1 0.061 . . 1 . . . . . 81 L QD2 . 52520 1 74 . 3 . 3 81 81 LEU HD23 H 1 0.061 . . 1 . . . . . 81 L QD2 . 52520 1 75 . 3 . 3 81 81 LEU CD2 C 13 22.929 . . 1 . . . . . 81 L CD2 . 52520 1 76 . 3 . 3 90 90 ALA HB1 H 1 1.347 . . 1 . . . . . 90 A HB# . 52520 1 77 . 3 . 3 90 90 ALA HB2 H 1 1.347 . . 1 . . . . . 90 A HB# . 52520 1 78 . 3 . 3 90 90 ALA HB3 H 1 1.347 . . 1 . . . . . 90 A HB# . 52520 1 79 . 3 . 3 95 95 VAL HG21 H 1 1.112 . . 1 . . . . . 95 V QG2 . 52520 1 80 . 3 . 3 95 95 VAL HG22 H 1 1.112 . . 1 . . . . . 95 V QG2 . 52520 1 81 . 3 . 3 95 95 VAL HG23 H 1 1.112 . . 1 . . . . . 95 V QG2 . 52520 1 82 . 3 . 3 95 95 VAL CG2 C 13 22.199 . . 1 . . . . . 95 V CG2 . 52520 1 83 . 3 . 3 103 103 VAL HG11 H 1 0.834 . . 1 . . . . . 103 V QG1 . 52520 1 84 . 3 . 3 103 103 VAL HG12 H 1 0.834 . . 1 . . . . . 103 V QG1 . 52520 1 85 . 3 . 3 103 103 VAL HG13 H 1 0.834 . . 1 . . . . . 103 V QG1 . 52520 1 86 . 3 . 3 103 103 VAL HG21 H 1 0.828 . . 1 . . . . . 103 V QG2 . 52520 1 87 . 3 . 3 103 103 VAL HG22 H 1 0.828 . . 1 . . . . . 103 V QG2 . 52520 1 88 . 3 . 3 103 103 VAL HG23 H 1 0.828 . . 1 . . . . . 103 V QG2 . 52520 1 89 . 3 . 3 103 103 VAL CG1 C 13 22.481 . . 1 . . . . . 103 V CG1 . 52520 1 90 . 3 . 3 103 103 VAL CG2 C 13 19.068 . . 1 . . . . . 103 V CG2 . 52520 1 91 . 3 . 3 110 110 LEU HD11 H 1 0.706 . . 1 . . . . . 110 L QD1 . 52520 1 92 . 3 . 3 110 110 LEU HD12 H 1 0.706 . . 1 . . . . . 110 L QD1 . 52520 1 93 . 3 . 3 110 110 LEU HD13 H 1 0.706 . . 1 . . . . . 110 L QD1 . 52520 1 94 . 3 . 3 110 110 LEU HD21 H 1 0.745 . . 1 . . . . . 110 L QD2 . 52520 1 95 . 3 . 3 110 110 LEU HD22 H 1 0.745 . . 1 . . . . . 110 L QD2 . 52520 1 96 . 3 . 3 110 110 LEU HD23 H 1 0.745 . . 1 . . . . . 110 L QD2 . 52520 1 97 . 3 . 3 110 110 LEU CD1 C 13 24.812 . . 1 . . . . . 110 L CD1 . 52520 1 98 . 3 . 3 110 110 LEU CD2 C 13 23.423 . . 1 . . . . . 110 L CD2 . 52520 1 99 . 3 . 3 117 117 ALA HB1 H 1 -0.603 . . 1 . . . . . 117 A HB# . 52520 1 100 . 3 . 3 117 117 ALA HB2 H 1 -0.603 . . 1 . . . . . 117 A HB# . 52520 1 101 . 3 . 3 117 117 ALA HB3 H 1 -0.603 . . 1 . . . . . 117 A HB# . 52520 1 102 . 3 . 3 124 124 ILE HD11 H 1 0.090 . . 1 . . . . . 124 I QD1 . 52520 1 103 . 3 . 3 124 124 ILE HD12 H 1 0.090 . . 1 . . . . . 124 I QD1 . 52520 1 104 . 3 . 3 124 124 ILE HD13 H 1 0.090 . . 1 . . . . . 124 I QD1 . 52520 1 105 . 3 . 3 124 124 ILE CD1 C 13 13.751 . . 1 . . . . . 124 I CD1 . 52520 1 106 . 3 . 3 125 125 ALA HB1 H 1 1.701 . . 1 . . . . . 125 A HB# . 52520 1 107 . 3 . 3 125 125 ALA HB2 H 1 1.701 . . 1 . . . . . 125 A HB# . 52520 1 108 . 3 . 3 125 125 ALA HB3 H 1 1.701 . . 1 . . . . . 125 A HB# . 52520 1 109 . 3 . 3 126 126 LEU HD11 H 1 -0.403 . . 1 . . . . . 126 L QD1 . 52520 1 110 . 3 . 3 126 126 LEU HD12 H 1 -0.403 . . 1 . . . . . 126 L QD1 . 52520 1 111 . 3 . 3 126 126 LEU HD13 H 1 -0.403 . . 1 . . . . . 126 L QD1 . 52520 1 112 . 3 . 3 126 126 LEU HD21 H 1 0.520 . . 1 . . . . . 126 L QD2 . 52520 1 113 . 3 . 3 126 126 LEU HD22 H 1 0.520 . . 1 . . . . . 126 L QD2 . 52520 1 114 . 3 . 3 126 126 LEU HD23 H 1 0.520 . . 1 . . . . . 126 L QD2 . 52520 1 115 . 3 . 3 126 126 LEU CD1 C 13 19.565 . . 1 . . . . . 126 L CD1 . 52520 1 116 . 3 . 3 126 126 LEU CD2 C 13 27.874 . . 1 . . . . . 126 L CD2 . 52520 1 117 . 3 . 3 130 130 LEU HD11 H 1 0.871 . . 1 . . . . . 130 L QD1 . 52520 1 118 . 3 . 3 130 130 LEU HD12 H 1 0.871 . . 1 . . . . . 130 L QD1 . 52520 1 119 . 3 . 3 130 130 LEU HD13 H 1 0.871 . . 1 . . . . . 130 L QD1 . 52520 1 120 . 3 . 3 130 130 LEU HD21 H 1 0.811 . . 1 . . . . . 130 L QD2 . 52520 1 121 . 3 . 3 130 130 LEU HD22 H 1 0.811 . . 1 . . . . . 130 L QD2 . 52520 1 122 . 3 . 3 130 130 LEU HD23 H 1 0.811 . . 1 . . . . . 130 L QD2 . 52520 1 123 . 3 . 3 130 130 LEU CD1 C 13 26.735 . . 1 . . . . . 130 L CD1 . 52520 1 124 . 3 . 3 130 130 LEU CD2 C 13 22.739 . . 1 . . . . . 130 L CD2 . 52520 1 125 . 3 . 3 135 135 ALA HB1 H 1 1.096 . . 1 . . . . . 135 A HB# . 52520 1 126 . 3 . 3 135 135 ALA HB2 H 1 1.096 . . 1 . . . . . 135 A HB# . 52520 1 127 . 3 . 3 135 135 ALA HB3 H 1 1.096 . . 1 . . . . . 135 A HB# . 52520 1 128 . 3 . 3 136 136 ALA HB1 H 1 1.367 . . 1 . . . . . 136 A HB# . 52520 1 129 . 3 . 3 136 136 ALA HB2 H 1 1.367 . . 1 . . . . . 136 A HB# . 52520 1 130 . 3 . 3 136 136 ALA HB3 H 1 1.367 . . 1 . . . . . 136 A HB# . 52520 1 131 . 3 . 3 139 139 ALA HB1 H 1 0.959 . . 1 . . . . . 139 A HB# . 52520 1 132 . 3 . 3 139 139 ALA HB2 H 1 0.959 . . 1 . . . . . 139 A HB# . 52520 1 133 . 3 . 3 139 139 ALA HB3 H 1 0.959 . . 1 . . . . . 139 A HB# . 52520 1 134 . 3 . 3 140 140 ALA HB1 H 1 0.619 . . 1 . . . . . 140 A HB# . 52520 1 135 . 3 . 3 140 140 ALA HB2 H 1 0.619 . . 1 . . . . . 140 A HB# . 52520 1 136 . 3 . 3 140 140 ALA HB3 H 1 0.619 . . 1 . . . . . 140 A HB# . 52520 1 137 . 3 . 3 149 149 ALA HB1 H 1 1.462 . . 1 . . . . . 149 A HB# . 52520 1 138 . 3 . 3 149 149 ALA HB2 H 1 1.462 . . 1 . . . . . 149 A HB# . 52520 1 139 . 3 . 3 149 149 ALA HB3 H 1 1.462 . . 1 . . . . . 149 A HB# . 52520 1 140 . 3 . 3 150 150 ALA HB1 H 1 1.523 . . 1 . . . . . 150 A HB# . 52520 1 141 . 3 . 3 150 150 ALA HB2 H 1 1.523 . . 1 . . . . . 150 A HB# . 52520 1 142 . 3 . 3 150 150 ALA HB3 H 1 1.523 . . 1 . . . . . 150 A HB# . 52520 1 143 . 3 . 3 152 152 VAL HG21 H 1 0.224 . . 1 . . . . . 152 V QG2 . 52520 1 144 . 3 . 3 152 152 VAL HG22 H 1 0.224 . . 1 . . . . . 152 V QG2 . 52520 1 145 . 3 . 3 152 152 VAL HG23 H 1 0.224 . . 1 . . . . . 152 V QG2 . 52520 1 146 . 3 . 3 152 152 VAL CG2 C 13 20.529 . . 1 . . . . . 152 V CG2 . 52520 1 147 . 3 . 3 153 153 ALA HB1 H 1 1.163 . . 1 . . . . . 153 A HB# . 52520 1 148 . 3 . 3 153 153 ALA HB2 H 1 1.163 . . 1 . . . . . 153 A HB# . 52520 1 149 . 3 . 3 153 153 ALA HB3 H 1 1.163 . . 1 . . . . . 153 A HB# . 52520 1 150 . 3 . 3 156 156 LEU HD11 H 1 -0.013 . . 1 . . . . . 156 L QD1 . 52520 1 151 . 3 . 3 156 156 LEU HD12 H 1 -0.013 . . 1 . . . . . 156 L QD1 . 52520 1 152 . 3 . 3 156 156 LEU HD13 H 1 -0.013 . . 1 . . . . . 156 L QD1 . 52520 1 153 . 3 . 3 156 156 LEU HD21 H 1 -0.297 . . 1 . . . . . 156 L QD2 . 52520 1 154 . 3 . 3 156 156 LEU HD22 H 1 -0.297 . . 1 . . . . . 156 L QD2 . 52520 1 155 . 3 . 3 156 156 LEU HD23 H 1 -0.297 . . 1 . . . . . 156 L QD2 . 52520 1 156 . 3 . 3 156 156 LEU CD1 C 13 24.775 . . 1 . . . . . 156 L CD1 . 52520 1 157 . 3 . 3 156 156 LEU CD2 C 13 22.447 . . 1 . . . . . 156 L CD2 . 52520 1 158 . 3 . 3 158 158 ALA HB1 H 1 1.514 . . 1 . . . . . 158 A HB# . 52520 1 159 . 3 . 3 158 158 ALA HB2 H 1 1.514 . . 1 . . . . . 158 A HB# . 52520 1 160 . 3 . 3 158 158 ALA HB3 H 1 1.514 . . 1 . . . . . 158 A HB# . 52520 1 161 . 3 . 3 160 160 LEU HD11 H 1 0.746 . . 1 . . . . . 160 L QD1 . 52520 1 162 . 3 . 3 160 160 LEU HD12 H 1 0.746 . . 1 . . . . . 160 L QD1 . 52520 1 163 . 3 . 3 160 160 LEU HD13 H 1 0.746 . . 1 . . . . . 160 L QD1 . 52520 1 164 . 3 . 3 160 160 LEU HD21 H 1 1.377 . . 1 . . . . . 160 L QD2 . 52520 1 165 . 3 . 3 160 160 LEU HD22 H 1 1.377 . . 1 . . . . . 160 L QD2 . 52520 1 166 . 3 . 3 160 160 LEU HD23 H 1 1.377 . . 1 . . . . . 160 L QD2 . 52520 1 167 . 3 . 3 160 160 LEU CD1 C 13 26.856 . . 1 . . . . . 160 L CD1 . 52520 1 168 . 3 . 3 160 160 LEU CD2 C 13 22.752 . . 1 . . . . . 160 L CD2 . 52520 1 169 . 3 . 3 165 165 VAL HG11 H 1 1.006 . . 1 . . . . . 165 V QG1 . 52520 1 170 . 3 . 3 165 165 VAL HG12 H 1 1.006 . . 1 . . . . . 165 V QG1 . 52520 1 171 . 3 . 3 165 165 VAL HG13 H 1 1.006 . . 1 . . . . . 165 V QG1 . 52520 1 172 . 3 . 3 165 165 VAL HG21 H 1 1.282 . . 1 . . . . . 165 V QG2 . 52520 1 173 . 3 . 3 165 165 VAL HG22 H 1 1.282 . . 1 . . . . . 165 V QG2 . 52520 1 174 . 3 . 3 165 165 VAL HG23 H 1 1.282 . . 1 . . . . . 165 V QG2 . 52520 1 175 . 3 . 3 165 165 VAL CG1 C 13 21.920 . . 1 . . . . . 165 V CG1 . 52520 1 176 . 3 . 3 165 165 VAL CG2 C 13 23.707 . . 1 . . . . . 165 V CG2 . 52520 1 177 . 3 . 3 168 168 LEU HD11 H 1 0.957 . . 1 . . . . . 168 L QD1 . 52520 1 178 . 3 . 3 168 168 LEU HD12 H 1 0.957 . . 1 . . . . . 168 L QD1 . 52520 1 179 . 3 . 3 168 168 LEU HD13 H 1 0.957 . . 1 . . . . . 168 L QD1 . 52520 1 180 . 3 . 3 168 168 LEU HD21 H 1 0.949 . . 1 . . . . . 168 L QD2 . 52520 1 181 . 3 . 3 168 168 LEU HD22 H 1 0.949 . . 1 . . . . . 168 L QD2 . 52520 1 182 . 3 . 3 168 168 LEU HD23 H 1 0.949 . . 1 . . . . . 168 L QD2 . 52520 1 183 . 3 . 3 168 168 LEU CD1 C 13 24.049 . . 1 . . . . . 168 L CD1 . 52520 1 184 . 3 . 3 168 168 LEU CD2 C 13 27.819 . . 1 . . . . . 168 L CD2 . 52520 1 185 . 3 . 3 172 172 LEU HD11 H 1 -0.061 . . 1 . . . . . 172 L QD1 . 52520 1 186 . 3 . 3 172 172 LEU HD12 H 1 -0.061 . . 1 . . . . . 172 L QD1 . 52520 1 187 . 3 . 3 172 172 LEU HD13 H 1 -0.061 . . 1 . . . . . 172 L QD1 . 52520 1 188 . 3 . 3 172 172 LEU HD21 H 1 -0.106 . . 1 . . . . . 172 L QD2 . 52520 1 189 . 3 . 3 172 172 LEU HD22 H 1 -0.106 . . 1 . . . . . 172 L QD2 . 52520 1 190 . 3 . 3 172 172 LEU HD23 H 1 -0.106 . . 1 . . . . . 172 L QD2 . 52520 1 191 . 3 . 3 172 172 LEU CD1 C 13 22.629 . . 1 . . . . . 172 L CD1 . 52520 1 192 . 3 . 3 172 172 LEU CD2 C 13 24.953 . . 1 . . . . . 172 L CD2 . 52520 1 193 . 3 . 3 179 179 LEU HD11 H 1 -0.183 . . 1 . . . . . 179 L QD1 . 52520 1 194 . 3 . 3 179 179 LEU HD12 H 1 -0.183 . . 1 . . . . . 179 L QD1 . 52520 1 195 . 3 . 3 179 179 LEU HD13 H 1 -0.183 . . 1 . . . . . 179 L QD1 . 52520 1 196 . 3 . 3 179 179 LEU HD21 H 1 0.835 . . 1 . . . . . 179 L QD2 . 52520 1 197 . 3 . 3 179 179 LEU HD22 H 1 0.835 . . 1 . . . . . 179 L QD2 . 52520 1 198 . 3 . 3 179 179 LEU HD23 H 1 0.835 . . 1 . . . . . 179 L QD2 . 52520 1 199 . 3 . 3 179 179 LEU CD1 C 13 24.539 . . 1 . . . . . 179 L CD1 . 52520 1 200 . 3 . 3 179 179 LEU CD2 C 13 21.406 . . 1 . . . . . 179 L CD2 . 52520 1 201 . 3 . 3 184 184 ALA HB1 H 1 1.333 . . 1 . . . . . 184 A HB# . 52520 1 202 . 3 . 3 184 184 ALA HB2 H 1 1.333 . . 1 . . . . . 184 A HB# . 52520 1 203 . 3 . 3 184 184 ALA HB3 H 1 1.333 . . 1 . . . . . 184 A HB# . 52520 1 204 . 3 . 3 193 193 ALA HB1 H 1 1.375 . . 1 . . . . . 193 A HB# . 52520 1 205 . 3 . 3 193 193 ALA HB2 H 1 1.375 . . 1 . . . . . 193 A HB# . 52520 1 206 . 3 . 3 193 193 ALA HB3 H 1 1.375 . . 1 . . . . . 193 A HB# . 52520 1 207 . 3 . 3 194 194 VAL HG11 H 1 0.758 . . 1 . . . . . 194 V QG1 . 52520 1 208 . 3 . 3 194 194 VAL HG12 H 1 0.758 . . 1 . . . . . 194 V QG1 . 52520 1 209 . 3 . 3 194 194 VAL HG13 H 1 0.758 . . 1 . . . . . 194 V QG1 . 52520 1 210 . 3 . 3 194 194 VAL HG21 H 1 0.695 . . 1 . . . . . 194 V QG2 . 52520 1 211 . 3 . 3 194 194 VAL HG22 H 1 0.695 . . 1 . . . . . 194 V QG2 . 52520 1 212 . 3 . 3 194 194 VAL HG23 H 1 0.695 . . 1 . . . . . 194 V QG2 . 52520 1 213 . 3 . 3 194 194 VAL CG1 C 13 20.974 . . 1 . . . . . 194 V CG1 . 52520 1 214 . 3 . 3 194 194 VAL CG2 C 13 20.915 . . 1 . . . . . 194 V CG2 . 52520 1 215 . 3 . 3 199 199 ALA HB1 H 1 0.660 . . 1 . . . . . 199 A HB# . 52520 1 216 . 3 . 3 199 199 ALA HB2 H 1 0.660 . . 1 . . . . . 199 A HB# . 52520 1 217 . 3 . 3 199 199 ALA HB3 H 1 0.660 . . 1 . . . . . 199 A HB# . 52520 1 218 . 3 . 3 201 201 LEU HD11 H 1 0.658 . . 1 . . . . . 201 L QD1 . 52520 1 219 . 3 . 3 201 201 LEU HD12 H 1 0.658 . . 1 . . . . . 201 L QD1 . 52520 1 220 . 3 . 3 201 201 LEU HD13 H 1 0.658 . . 1 . . . . . 201 L QD1 . 52520 1 221 . 3 . 3 201 201 LEU HD21 H 1 0.547 . . 1 . . . . . 201 L QD2 . 52520 1 222 . 3 . 3 201 201 LEU HD22 H 1 0.547 . . 1 . . . . . 201 L QD2 . 52520 1 223 . 3 . 3 201 201 LEU HD23 H 1 0.547 . . 1 . . . . . 201 L QD2 . 52520 1 224 . 3 . 3 201 201 LEU CD1 C 13 26.009 . . 1 . . . . . 201 L CD1 . 52520 1 225 . 3 . 3 201 201 LEU CD2 C 13 24.180 . . 1 . . . . . 201 L CD2 . 52520 1 226 . 3 . 3 205 205 ALA HB1 H 1 1.128 . . 1 . . . . . 205 A HB# . 52520 1 227 . 3 . 3 205 205 ALA HB2 H 1 1.128 . . 1 . . . . . 205 A HB# . 52520 1 228 . 3 . 3 205 205 ALA HB3 H 1 1.128 . . 1 . . . . . 205 A HB# . 52520 1 229 . 3 . 3 206 206 LEU HD11 H 1 1.019 . . 1 . . . . . 206 L QD1 . 52520 1 230 . 3 . 3 206 206 LEU HD12 H 1 1.019 . . 1 . . . . . 206 L QD1 . 52520 1 231 . 3 . 3 206 206 LEU HD13 H 1 1.019 . . 1 . . . . . 206 L QD1 . 52520 1 232 . 3 . 3 206 206 LEU HD21 H 1 1.277 . . 1 . . . . . 206 L QD2 . 52520 1 233 . 3 . 3 206 206 LEU HD22 H 1 1.277 . . 1 . . . . . 206 L QD2 . 52520 1 234 . 3 . 3 206 206 LEU HD23 H 1 1.277 . . 1 . . . . . 206 L QD2 . 52520 1 235 . 3 . 3 206 206 LEU CD1 C 13 25.696 . . 1 . . . . . 206 L CD1 . 52520 1 236 . 3 . 3 206 206 LEU CD2 C 13 23.858 . . 1 . . . . . 206 L CD2 . 52520 1 237 . 3 . 3 211 211 ALA HB1 H 1 0.128 . . 1 . . . . . 211 A HB# . 52520 1 238 . 3 . 3 211 211 ALA HB2 H 1 0.128 . . 1 . . . . . 211 A HB# . 52520 1 239 . 3 . 3 211 211 ALA HB3 H 1 0.128 . . 1 . . . . . 211 A HB# . 52520 1 240 . 3 . 3 213 213 ILE HD11 H 1 -0.575 . . 1 . . . . . 213 I QD1 . 52520 1 241 . 3 . 3 213 213 ILE HD12 H 1 -0.575 . . 1 . . . . . 213 I QD1 . 52520 1 242 . 3 . 3 213 213 ILE HD13 H 1 -0.575 . . 1 . . . . . 213 I QD1 . 52520 1 243 . 3 . 3 213 213 ILE CD1 C 13 13.002 . . 1 . . . . . 213 I CD1 . 52520 1 244 . 3 . 3 215 215 LEU HD21 H 1 0.679 . . 1 . . . . . 215 L QD2 . 52520 1 245 . 3 . 3 215 215 LEU HD22 H 1 0.679 . . 1 . . . . . 215 L QD2 . 52520 1 246 . 3 . 3 215 215 LEU HD23 H 1 0.679 . . 1 . . . . . 215 L QD2 . 52520 1 247 . 3 . 3 215 215 LEU CD2 C 13 25.541 . . 1 . . . . . 215 L CD2 . 52520 1 248 . 3 . 3 230 230 LEU HD11 H 1 1.073 . . 1 . . . . . 230 L QD1 . 52520 1 249 . 3 . 3 230 230 LEU HD12 H 1 1.073 . . 1 . . . . . 230 L QD1 . 52520 1 250 . 3 . 3 230 230 LEU HD13 H 1 1.073 . . 1 . . . . . 230 L QD1 . 52520 1 251 . 3 . 3 230 230 LEU HD21 H 1 0.885 . . 1 . . . . . 230 L QD2 . 52520 1 252 . 3 . 3 230 230 LEU HD22 H 1 0.885 . . 1 . . . . . 230 L QD2 . 52520 1 253 . 3 . 3 230 230 LEU HD23 H 1 0.885 . . 1 . . . . . 230 L QD2 . 52520 1 254 . 3 . 3 230 230 LEU CD1 C 13 26.037 . . 1 . . . . . 230 L CD1 . 52520 1 255 . 3 . 3 230 230 LEU CD2 C 13 25.039 . . 1 . . . . . 230 L CD2 . 52520 1 256 . 3 . 3 231 231 VAL HG21 H 1 -0.204 . . 1 . . . . . 231 V QG2 . 52520 1 257 . 3 . 3 231 231 VAL HG22 H 1 -0.204 . . 1 . . . . . 231 V QG2 . 52520 1 258 . 3 . 3 231 231 VAL HG23 H 1 -0.204 . . 1 . . . . . 231 V QG2 . 52520 1 259 . 3 . 3 231 231 VAL CG2 C 13 16.025 . . 1 . . . . . 231 V CG2 . 52520 1 260 . 3 . 3 236 236 ALA HB1 H 1 1.310 . . 1 . . . . . 236 A HB# . 52520 1 261 . 3 . 3 236 236 ALA HB2 H 1 1.310 . . 1 . . . . . 236 A HB# . 52520 1 262 . 3 . 3 236 236 ALA HB3 H 1 1.310 . . 1 . . . . . 236 A HB# . 52520 1 263 . 3 . 3 245 245 ALA HB1 H 1 1.486 . . 1 . . . . . 245 A HB# . 52520 1 264 . 3 . 3 245 245 ALA HB2 H 1 1.486 . . 1 . . . . . 245 A HB# . 52520 1 265 . 3 . 3 245 245 ALA HB3 H 1 1.486 . . 1 . . . . . 245 A HB# . 52520 1 266 . 3 . 3 246 246 ALA HB1 H 1 1.308 . . 1 . . . . . 246 A HB# . 52520 1 267 . 3 . 3 246 246 ALA HB2 H 1 1.308 . . 1 . . . . . 246 A HB# . 52520 1 268 . 3 . 3 246 246 ALA HB3 H 1 1.308 . . 1 . . . . . 246 A HB# . 52520 1 269 . 3 . 3 247 247 VAL HG21 H 1 -0.123 . . 1 . . . . . 247 V QG2 . 52520 1 270 . 3 . 3 247 247 VAL HG22 H 1 -0.123 . . 1 . . . . . 247 V QG2 . 52520 1 271 . 3 . 3 247 247 VAL HG23 H 1 -0.123 . . 1 . . . . . 247 V QG2 . 52520 1 272 . 3 . 3 247 247 VAL CG2 C 13 19.081 . . 1 . . . . . 247 V CG2 . 52520 1 273 . 3 . 3 248 248 VAL HG11 H 1 0.560 . . 1 . . . . . 248 V QG1 . 52520 1 274 . 3 . 3 248 248 VAL HG12 H 1 0.560 . . 1 . . . . . 248 V QG1 . 52520 1 275 . 3 . 3 248 248 VAL HG13 H 1 0.560 . . 1 . . . . . 248 V QG1 . 52520 1 276 . 3 . 3 248 248 VAL HG21 H 1 0.709 . . 1 . . . . . 248 V QG2 . 52520 1 277 . 3 . 3 248 248 VAL HG22 H 1 0.709 . . 1 . . . . . 248 V QG2 . 52520 1 278 . 3 . 3 248 248 VAL HG23 H 1 0.709 . . 1 . . . . . 248 V QG2 . 52520 1 279 . 3 . 3 248 248 VAL CG1 C 13 21.183 . . 1 . . . . . 248 V CG1 . 52520 1 280 . 3 . 3 248 248 VAL CG2 C 13 21.075 . . 1 . . . . . 248 V CG2 . 52520 1 281 . 3 . 3 249 249 VAL HG11 H 1 0.239 . . 1 . . . . . 249 V QG1 . 52520 1 282 . 3 . 3 249 249 VAL HG12 H 1 0.239 . . 1 . . . . . 249 V QG1 . 52520 1 283 . 3 . 3 249 249 VAL HG13 H 1 0.239 . . 1 . . . . . 249 V QG1 . 52520 1 284 . 3 . 3 249 249 VAL HG21 H 1 -0.418 . . 1 . . . . . 249 V QG2 . 52520 1 285 . 3 . 3 249 249 VAL HG22 H 1 -0.418 . . 1 . . . . . 249 V QG2 . 52520 1 286 . 3 . 3 249 249 VAL HG23 H 1 -0.418 . . 1 . . . . . 249 V QG2 . 52520 1 287 . 3 . 3 249 249 VAL CG1 C 13 18.280 . . 1 . . . . . 249 V CG1 . 52520 1 288 . 3 . 3 249 249 VAL CG2 C 13 20.615 . . 1 . . . . . 249 V CG2 . 52520 1 289 . 3 . 3 261 261 VAL HG11 H 1 0.572 . . 1 . . . . . 261 V QG1 . 52520 1 290 . 3 . 3 261 261 VAL HG12 H 1 0.572 . . 1 . . . . . 261 V QG1 . 52520 1 291 . 3 . 3 261 261 VAL HG13 H 1 0.572 . . 1 . . . . . 261 V QG1 . 52520 1 292 . 3 . 3 261 261 VAL HG21 H 1 0.652 . . 1 . . . . . 261 V QG2 . 52520 1 293 . 3 . 3 261 261 VAL HG22 H 1 0.652 . . 1 . . . . . 261 V QG2 . 52520 1 294 . 3 . 3 261 261 VAL HG23 H 1 0.652 . . 1 . . . . . 261 V QG2 . 52520 1 295 . 3 . 3 261 261 VAL CG1 C 13 20.813 . . 1 . . . . . 261 V CG1 . 52520 1 296 . 3 . 3 261 261 VAL CG2 C 13 19.957 . . 1 . . . . . 261 V CG2 . 52520 1 297 . 3 . 3 266 266 LEU HD11 H 1 0.936 . . 1 . . . . . 266 L QD1 . 52520 1 298 . 3 . 3 266 266 LEU HD12 H 1 0.936 . . 1 . . . . . 266 L QD1 . 52520 1 299 . 3 . 3 266 266 LEU HD13 H 1 0.936 . . 1 . . . . . 266 L QD1 . 52520 1 300 . 3 . 3 266 266 LEU HD21 H 1 1.058 . . 1 . . . . . 266 L QD2 . 52520 1 301 . 3 . 3 266 266 LEU HD22 H 1 1.058 . . 1 . . . . . 266 L QD2 . 52520 1 302 . 3 . 3 266 266 LEU HD23 H 1 1.058 . . 1 . . . . . 266 L QD2 . 52520 1 303 . 3 . 3 266 266 LEU CD1 C 13 26.341 . . 1 . . . . . 266 L CD1 . 52520 1 304 . 3 . 3 266 266 LEU CD2 C 13 23.501 . . 1 . . . . . 266 L CD2 . 52520 1 305 . 3 . 3 270 270 LEU HD11 H 1 0.921 . . 1 . . . . . 270 L QD1 . 52520 1 306 . 3 . 3 270 270 LEU HD12 H 1 0.921 . . 1 . . . . . 270 L QD1 . 52520 1 307 . 3 . 3 270 270 LEU HD13 H 1 0.921 . . 1 . . . . . 270 L QD1 . 52520 1 308 . 3 . 3 270 270 LEU HD21 H 1 0.931 . . 1 . . . . . 270 L QD2 . 52520 1 309 . 3 . 3 270 270 LEU HD22 H 1 0.931 . . 1 . . . . . 270 L QD2 . 52520 1 310 . 3 . 3 270 270 LEU HD23 H 1 0.931 . . 1 . . . . . 270 L QD2 . 52520 1 311 . 3 . 3 270 270 LEU CD1 C 13 23.718 . . 1 . . . . . 270 L CD1 . 52520 1 312 . 3 . 3 270 270 LEU CD2 C 13 25.701 . . 1 . . . . . 270 L CD2 . 52520 1 313 . 3 . 3 272 272 LEU HD11 H 1 0.773 . . 1 . . . . . 272 L QD1 . 52520 1 314 . 3 . 3 272 272 LEU HD12 H 1 0.773 . . 1 . . . . . 272 L QD1 . 52520 1 315 . 3 . 3 272 272 LEU HD13 H 1 0.773 . . 1 . . . . . 272 L QD1 . 52520 1 316 . 3 . 3 272 272 LEU HD21 H 1 0.841 . . 1 . . . . . 272 L QD2 . 52520 1 317 . 3 . 3 272 272 LEU HD22 H 1 0.841 . . 1 . . . . . 272 L QD2 . 52520 1 318 . 3 . 3 272 272 LEU HD23 H 1 0.841 . . 1 . . . . . 272 L QD2 . 52520 1 319 . 3 . 3 272 272 LEU CD1 C 13 24.913 . . 1 . . . . . 272 L CD1 . 52520 1 320 . 3 . 3 272 272 LEU CD2 C 13 25.023 . . 1 . . . . . 272 L CD2 . 52520 1 stop_ save_