data_50722 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50722 _Entry.Title ; Phosphorylated phospholamban bound to SERCA in oriented bicelles (calcium-free E2 state) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-18 _Entry.Accession_date 2021-01-18 _Entry.Last_release_date 2021-01-20 _Entry.Original_release_date 2021-01-20 _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 solid-state _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 Daniel Weber . K. . 0000-0001-8400-767X 50722 2 Maximo Sanz-Hernandez . . . 0000-0001-8522-8730 50722 3 'Venkateswara Reddy' Uddigiri . . . . 50722 4 Songlin Wang . . . 0000-0002-7588-7377 50722 5 Erik Larsen . K. . . 50722 6 Tata Gopinath . . . . 50722 7 Martin Gustavsson . . . 0000-0002-3015-2043 50722 8 Razvan Cornea . . . 0000-0001-5739-0992 50722 9 David Thomas . D. . . 50722 10 Alfonso 'De Simone' . . . 0000-0001-8789-9546 50722 11 Gianluigi Veglia . . . 0000-0002-2795-6964 50722 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50722 dipolar_couplings 1 50722 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 17 50722 'dipolar coupling values' 17 50722 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 . . 2021-05-18 . original BMRB . 50722 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50718 'Monomeric phospholamban in oriented bicelles' 50722 BMRB 50719 'Monomeric phosphorylated phospholamban in oriented bicelles' 50722 BMRB 50720 'Phospholamban bound to SERCA in oriented bicelles (calcium-free E2 state)' 50722 BMRB 50721 'Phospholamban bound to SERCA in oriented bicelles (calcium-bound E1 state)' 50722 BMRB 50723 'Phosphorylated phospholamban bound to SERCA in oriented bicelles (calcium-bound E1 state)' 50722 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50722 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33978571 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca 2+ and phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full . _Citation.Journal_volume 10 _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 e66226 _Citation.Page_last e66226 _Citation.Year 2021 _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 Daniel Weber D. K. . . 50722 1 2 'U Venkateswara' Reddy U. V. . . 50722 1 3 Songlin Wang S. . . . 50722 1 4 Erik Larsen E. K. . . 50722 1 5 Tata Gopinath T. . . . 50722 1 6 Martin Gustavsson M. B. . . 50722 1 7 Razvan Cornea R. L. . . 50722 1 8 David Thomas D. D. . . 50722 1 9 Alfonso 'De Simone' A. . . . 50722 1 10 Gianluigi Veglia G. . . . 50722 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50722 _Assembly.ID 1 _Assembly.Name 'Phosphorylated phospholamban bound to SERCA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 6165.6 _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 PLN 1 $entity_1 . . yes native no no . . . 50722 1 2 SERCA 2 $entity_2 . . no native no no . . . 50722 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 UNP P04191 . . . . . . 50722 1 yes UNP P61015 . . . . . . 50722 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50722 _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 ; AMEKVQYLTRSAIRRASTIE MPQQARQNLQNLFINFALIL IFLLLIAIIVMLL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; A0, M1, E2, K3, V4, Q5, Y6, L7, T8, R9, S10, A11, I12, R13, R14, A15, pS16, T17, I18, E19, M20, P21, Q22, Q23, A24, R25, Q26, N27, L28, Q29, N30, L31, F32, I33, N34, F35, A36, L37, I38, L39, I40, F41, L42, L43, L44, I45, A46, I47, I48, V49, M50, L51, L52 ; _Entity.Polymer_author_seq_details ; Monomeric cysteine-null mutant (C36A/C41F/C46A). N-terminal Ala0 left over from cleavage of MBP fusion protein. Phosphorylated at Ser16 by protein kinase A. ; _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 53 _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 'C36A, C41F, C46A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6246 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P61015 . . . . . . . . . . . . . . . . 50722 1 2 yes PDB 2KB7 . . . . . . . . . . . . . . . . 50722 1 3 yes PDB 2LPF . . . . . . . . . . . . . . . . 50722 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 ALA . 50722 1 2 1 MET . 50722 1 3 2 GLU . 50722 1 4 3 LYS . 50722 1 5 4 VAL . 50722 1 6 5 GLN . 50722 1 7 6 TYR . 50722 1 8 7 LEU . 50722 1 9 8 THR . 50722 1 10 9 ARG . 50722 1 11 10 SER . 50722 1 12 11 ALA . 50722 1 13 12 ILE . 50722 1 14 13 ARG . 50722 1 15 14 ARG . 50722 1 16 15 ALA . 50722 1 17 16 SEP . 50722 1 18 17 THR . 50722 1 19 18 ILE . 50722 1 20 19 GLU . 50722 1 21 20 MET . 50722 1 22 21 PRO . 50722 1 23 22 GLN . 50722 1 24 23 GLN . 50722 1 25 24 ALA . 50722 1 26 25 ARG . 50722 1 27 26 GLN . 50722 1 28 27 ASN . 50722 1 29 28 LEU . 50722 1 30 29 GLN . 50722 1 31 30 ASN . 50722 1 32 31 LEU . 50722 1 33 32 PHE . 50722 1 34 33 ILE . 50722 1 35 34 ASN . 50722 1 36 35 PHE . 50722 1 37 36 ALA . 50722 1 38 37 LEU . 50722 1 39 38 ILE . 50722 1 40 39 LEU . 50722 1 41 40 ILE . 50722 1 42 41 PHE . 50722 1 43 42 LEU . 50722 1 44 43 LEU . 50722 1 45 44 LEU . 50722 1 46 45 ILE . 50722 1 47 46 ALA . 50722 1 48 47 ILE . 50722 1 49 48 ILE . 50722 1 50 49 VAL . 50722 1 51 50 MET . 50722 1 52 51 LEU . 50722 1 53 52 LEU . 50722 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 . ALA 1 1 50722 1 . MET 2 2 50722 1 . GLU 3 3 50722 1 . LYS 4 4 50722 1 . VAL 5 5 50722 1 . GLN 6 6 50722 1 . TYR 7 7 50722 1 . LEU 8 8 50722 1 . THR 9 9 50722 1 . ARG 10 10 50722 1 . SER 11 11 50722 1 . ALA 12 12 50722 1 . ILE 13 13 50722 1 . ARG 14 14 50722 1 . ARG 15 15 50722 1 . ALA 16 16 50722 1 . SEP 17 17 50722 1 . THR 18 18 50722 1 . ILE 19 19 50722 1 . GLU 20 20 50722 1 . MET 21 21 50722 1 . PRO 22 22 50722 1 . GLN 23 23 50722 1 . GLN 24 24 50722 1 . ALA 25 25 50722 1 . ARG 26 26 50722 1 . GLN 27 27 50722 1 . ASN 28 28 50722 1 . LEU 29 29 50722 1 . GLN 30 30 50722 1 . ASN 31 31 50722 1 . LEU 32 32 50722 1 . PHE 33 33 50722 1 . ILE 34 34 50722 1 . ASN 35 35 50722 1 . PHE 36 36 50722 1 . ALA 37 37 50722 1 . LEU 38 38 50722 1 . ILE 39 39 50722 1 . LEU 40 40 50722 1 . ILE 41 41 50722 1 . PHE 42 42 50722 1 . LEU 43 43 50722 1 . LEU 44 44 50722 1 . LEU 45 45 50722 1 . ILE 46 46 50722 1 . ALA 47 47 50722 1 . ILE 48 48 50722 1 . ILE 49 49 50722 1 . VAL 50 50 50722 1 . MET 51 51 50722 1 . LEU 52 52 50722 1 . LEU 53 53 50722 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50722 _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 ; MEAAHSKSTEECLAYFGVSE TTGLTPDQVKRHLEKYGHNE LPAEEGKSLWELVIEQFEDL LVRILLLAACISFVLAWFEE GEETITAFVEPFVILLILIA NAIVGVWQERNAENAIEALK EYEPEMGKVYRADRKSVQRI KARDIVPGDIVEVAVGDKVP ADIRILSIKSTTLRVDQSIL TGESVSVIKHTEPVPDPRAV NQDKKNMLFSGTNIAAGKAL GIVATTGVSTEIGKIRDQMA ATEQDKTPLQQKLDEFGEQL SKVISLICVAVWLINIGHFN DPVHGGSWIRGAIYYFKIAV ALAVAAIPEGLPAVITTCLA LGTRRMAKKNAIVRSLPSVE TLGCTSVICSDKTGTLTTNQ MSVCKMFIIDKVDGDFCSLN EFSITGSTYAPEGEVLKNDK PIRSGQFDGLVELATICALC NDSSLDFNETKGVYEKVGEA TETALTTLVEKMNVFNTEVR NLSKVERANACNSVIRQLMK KEFTLEFSRDRKSMSVYCSP AKSSRAAVGNKMFVKGAPEG VIDRCNYVRVGTTRVPMTGP VKEKILSVIKEWGTGRDTLR CLALATRDTPPKREEMVLDD SSRFMEYETDLTFVGVVGML DPPRKEVMGSIQLCRDAGIR VIMITGDNKGTAIAICRRIG IFGENEEVADRAYTGREFDD LPLAEQREACRRACCFARVE PSHKSKIVEYLQSYDEITAM TGDGVNDAPALKKAEIGIAM GSGTAVAKTASEMVLADDNF STIVAAVEEGRAIYNNMKQF IRYLISSNVGEVVCIFLTAA LGLPEALIPVQLLWVNLVTD GLPATALGFNPPDLDIMDRP PRSPKEPLISGWLFFRYMAI GGYVGAATVGAAAWWFMYAE DGPGVTYHQLTHFMQCTEDH PHFEGLDCEIFEAPEPMTMA LSVLVTIEMCNALNSLSENQ SLMRMPPWVNIWLLGSICLS MSLHFLILYVDPLPMIFKLK ALDLTQWLMVLKISLPVIGL DEILKFIARNYLEDPEDERR K ; _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 1001 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P04191 . . . . . . . . . . . . . . . . 50722 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50722 2 2 . GLU . 50722 2 3 . ALA . 50722 2 4 . ALA . 50722 2 5 . HIS . 50722 2 6 . SER . 50722 2 7 . LYS . 50722 2 8 . SER . 50722 2 9 . THR . 50722 2 10 . GLU . 50722 2 11 . GLU . 50722 2 12 . CYS . 50722 2 13 . LEU . 50722 2 14 . ALA . 50722 2 15 . TYR . 50722 2 16 . PHE . 50722 2 17 . GLY . 50722 2 18 . VAL . 50722 2 19 . SER . 50722 2 20 . GLU . 50722 2 21 . THR . 50722 2 22 . THR . 50722 2 23 . GLY . 50722 2 24 . LEU . 50722 2 25 . THR . 50722 2 26 . PRO . 50722 2 27 . ASP . 50722 2 28 . GLN . 50722 2 29 . VAL . 50722 2 30 . LYS . 50722 2 31 . ARG . 50722 2 32 . HIS . 50722 2 33 . LEU . 50722 2 34 . GLU . 50722 2 35 . LYS . 50722 2 36 . TYR . 50722 2 37 . GLY . 50722 2 38 . HIS . 50722 2 39 . ASN . 50722 2 40 . GLU . 50722 2 41 . LEU . 50722 2 42 . PRO . 50722 2 43 . ALA . 50722 2 44 . GLU . 50722 2 45 . GLU . 50722 2 46 . GLY . 50722 2 47 . LYS . 50722 2 48 . SER . 50722 2 49 . LEU . 50722 2 50 . TRP . 50722 2 51 . GLU . 50722 2 52 . LEU . 50722 2 53 . VAL . 50722 2 54 . ILE . 50722 2 55 . GLU . 50722 2 56 . GLN . 50722 2 57 . PHE . 50722 2 58 . GLU . 50722 2 59 . ASP . 50722 2 60 . LEU . 50722 2 61 . LEU . 50722 2 62 . VAL . 50722 2 63 . ARG . 50722 2 64 . ILE . 50722 2 65 . LEU . 50722 2 66 . LEU . 50722 2 67 . LEU . 50722 2 68 . ALA . 50722 2 69 . ALA . 50722 2 70 . CYS . 50722 2 71 . ILE . 50722 2 72 . SER . 50722 2 73 . PHE . 50722 2 74 . VAL . 50722 2 75 . LEU . 50722 2 76 . ALA . 50722 2 77 . TRP . 50722 2 78 . PHE . 50722 2 79 . GLU . 50722 2 80 . GLU . 50722 2 81 . GLY . 50722 2 82 . GLU . 50722 2 83 . GLU . 50722 2 84 . THR . 50722 2 85 . ILE . 50722 2 86 . THR . 50722 2 87 . ALA . 50722 2 88 . PHE . 50722 2 89 . VAL . 50722 2 90 . GLU . 50722 2 91 . PRO . 50722 2 92 . PHE . 50722 2 93 . VAL . 50722 2 94 . ILE . 50722 2 95 . LEU . 50722 2 96 . LEU . 50722 2 97 . ILE . 50722 2 98 . LEU . 50722 2 99 . ILE . 50722 2 100 . ALA . 50722 2 101 . ASN . 50722 2 102 . ALA . 50722 2 103 . ILE . 50722 2 104 . VAL . 50722 2 105 . GLY . 50722 2 106 . VAL . 50722 2 107 . TRP . 50722 2 108 . GLN . 50722 2 109 . GLU . 50722 2 110 . ARG . 50722 2 111 . ASN . 50722 2 112 . ALA . 50722 2 113 . GLU . 50722 2 114 . ASN . 50722 2 115 . ALA . 50722 2 116 . ILE . 50722 2 117 . GLU . 50722 2 118 . ALA . 50722 2 119 . LEU . 50722 2 120 . LYS . 50722 2 121 . GLU . 50722 2 122 . TYR . 50722 2 123 . GLU . 50722 2 124 . PRO . 50722 2 125 . GLU . 50722 2 126 . MET . 50722 2 127 . GLY . 50722 2 128 . LYS . 50722 2 129 . VAL . 50722 2 130 . TYR . 50722 2 131 . ARG . 50722 2 132 . ALA . 50722 2 133 . ASP . 50722 2 134 . ARG . 50722 2 135 . LYS . 50722 2 136 . SER . 50722 2 137 . VAL . 50722 2 138 . GLN . 50722 2 139 . ARG . 50722 2 140 . ILE . 50722 2 141 . LYS . 50722 2 142 . ALA . 50722 2 143 . ARG . 50722 2 144 . ASP . 50722 2 145 . ILE . 50722 2 146 . VAL . 50722 2 147 . PRO . 50722 2 148 . GLY . 50722 2 149 . ASP . 50722 2 150 . ILE . 50722 2 151 . VAL . 50722 2 152 . GLU . 50722 2 153 . VAL . 50722 2 154 . ALA . 50722 2 155 . VAL . 50722 2 156 . GLY . 50722 2 157 . ASP . 50722 2 158 . LYS . 50722 2 159 . VAL . 50722 2 160 . PRO . 50722 2 161 . ALA . 50722 2 162 . ASP . 50722 2 163 . ILE . 50722 2 164 . ARG . 50722 2 165 . ILE . 50722 2 166 . LEU . 50722 2 167 . SER . 50722 2 168 . ILE . 50722 2 169 . LYS . 50722 2 170 . SER . 50722 2 171 . THR . 50722 2 172 . THR . 50722 2 173 . LEU . 50722 2 174 . ARG . 50722 2 175 . VAL . 50722 2 176 . ASP . 50722 2 177 . GLN . 50722 2 178 . SER . 50722 2 179 . ILE . 50722 2 180 . LEU . 50722 2 181 . THR . 50722 2 182 . GLY . 50722 2 183 . GLU . 50722 2 184 . SER . 50722 2 185 . VAL . 50722 2 186 . SER . 50722 2 187 . VAL . 50722 2 188 . ILE . 50722 2 189 . LYS . 50722 2 190 . HIS . 50722 2 191 . THR . 50722 2 192 . GLU . 50722 2 193 . PRO . 50722 2 194 . VAL . 50722 2 195 . PRO . 50722 2 196 . ASP . 50722 2 197 . PRO . 50722 2 198 . ARG . 50722 2 199 . ALA . 50722 2 200 . VAL . 50722 2 201 . ASN . 50722 2 202 . GLN . 50722 2 203 . ASP . 50722 2 204 . LYS . 50722 2 205 . LYS . 50722 2 206 . ASN . 50722 2 207 . MET . 50722 2 208 . LEU . 50722 2 209 . PHE . 50722 2 210 . SER . 50722 2 211 . GLY . 50722 2 212 . THR . 50722 2 213 . ASN . 50722 2 214 . ILE . 50722 2 215 . ALA . 50722 2 216 . ALA . 50722 2 217 . GLY . 50722 2 218 . LYS . 50722 2 219 . ALA . 50722 2 220 . LEU . 50722 2 221 . GLY . 50722 2 222 . ILE . 50722 2 223 . VAL . 50722 2 224 . ALA . 50722 2 225 . THR . 50722 2 226 . THR . 50722 2 227 . GLY . 50722 2 228 . VAL . 50722 2 229 . SER . 50722 2 230 . THR . 50722 2 231 . GLU . 50722 2 232 . ILE . 50722 2 233 . GLY . 50722 2 234 . LYS . 50722 2 235 . ILE . 50722 2 236 . ARG . 50722 2 237 . ASP . 50722 2 238 . GLN . 50722 2 239 . MET . 50722 2 240 . ALA . 50722 2 241 . ALA . 50722 2 242 . THR . 50722 2 243 . GLU . 50722 2 244 . GLN . 50722 2 245 . ASP . 50722 2 246 . LYS . 50722 2 247 . THR . 50722 2 248 . PRO . 50722 2 249 . LEU . 50722 2 250 . GLN . 50722 2 251 . GLN . 50722 2 252 . LYS . 50722 2 253 . LEU . 50722 2 254 . ASP . 50722 2 255 . GLU . 50722 2 256 . PHE . 50722 2 257 . GLY . 50722 2 258 . GLU . 50722 2 259 . GLN . 50722 2 260 . LEU . 50722 2 261 . SER . 50722 2 262 . LYS . 50722 2 263 . VAL . 50722 2 264 . ILE . 50722 2 265 . SER . 50722 2 266 . LEU . 50722 2 267 . ILE . 50722 2 268 . CYS . 50722 2 269 . VAL . 50722 2 270 . ALA . 50722 2 271 . VAL . 50722 2 272 . TRP . 50722 2 273 . LEU . 50722 2 274 . ILE . 50722 2 275 . ASN . 50722 2 276 . ILE . 50722 2 277 . GLY . 50722 2 278 . HIS . 50722 2 279 . PHE . 50722 2 280 . ASN . 50722 2 281 . ASP . 50722 2 282 . PRO . 50722 2 283 . VAL . 50722 2 284 . HIS . 50722 2 285 . GLY . 50722 2 286 . GLY . 50722 2 287 . SER . 50722 2 288 . TRP . 50722 2 289 . ILE . 50722 2 290 . ARG . 50722 2 291 . GLY . 50722 2 292 . ALA . 50722 2 293 . ILE . 50722 2 294 . TYR . 50722 2 295 . TYR . 50722 2 296 . PHE . 50722 2 297 . LYS . 50722 2 298 . ILE . 50722 2 299 . ALA . 50722 2 300 . VAL . 50722 2 301 . ALA . 50722 2 302 . LEU . 50722 2 303 . ALA . 50722 2 304 . VAL . 50722 2 305 . ALA . 50722 2 306 . ALA . 50722 2 307 . ILE . 50722 2 308 . PRO . 50722 2 309 . GLU . 50722 2 310 . GLY . 50722 2 311 . LEU . 50722 2 312 . PRO . 50722 2 313 . ALA . 50722 2 314 . VAL . 50722 2 315 . ILE . 50722 2 316 . THR . 50722 2 317 . THR . 50722 2 318 . CYS . 50722 2 319 . LEU . 50722 2 320 . ALA . 50722 2 321 . LEU . 50722 2 322 . GLY . 50722 2 323 . THR . 50722 2 324 . ARG . 50722 2 325 . ARG . 50722 2 326 . MET . 50722 2 327 . ALA . 50722 2 328 . LYS . 50722 2 329 . LYS . 50722 2 330 . ASN . 50722 2 331 . ALA . 50722 2 332 . ILE . 50722 2 333 . VAL . 50722 2 334 . ARG . 50722 2 335 . SER . 50722 2 336 . LEU . 50722 2 337 . PRO . 50722 2 338 . SER . 50722 2 339 . VAL . 50722 2 340 . GLU . 50722 2 341 . THR . 50722 2 342 . LEU . 50722 2 343 . GLY . 50722 2 344 . CYS . 50722 2 345 . THR . 50722 2 346 . SER . 50722 2 347 . VAL . 50722 2 348 . ILE . 50722 2 349 . CYS . 50722 2 350 . SER . 50722 2 351 . ASP . 50722 2 352 . LYS . 50722 2 353 . THR . 50722 2 354 . GLY . 50722 2 355 . THR . 50722 2 356 . LEU . 50722 2 357 . THR . 50722 2 358 . THR . 50722 2 359 . ASN . 50722 2 360 . GLN . 50722 2 361 . MET . 50722 2 362 . SER . 50722 2 363 . VAL . 50722 2 364 . CYS . 50722 2 365 . LYS . 50722 2 366 . MET . 50722 2 367 . PHE . 50722 2 368 . ILE . 50722 2 369 . ILE . 50722 2 370 . ASP . 50722 2 371 . LYS . 50722 2 372 . VAL . 50722 2 373 . ASP . 50722 2 374 . GLY . 50722 2 375 . ASP . 50722 2 376 . PHE . 50722 2 377 . CYS . 50722 2 378 . SER . 50722 2 379 . LEU . 50722 2 380 . ASN . 50722 2 381 . GLU . 50722 2 382 . PHE . 50722 2 383 . SER . 50722 2 384 . ILE . 50722 2 385 . THR . 50722 2 386 . GLY . 50722 2 387 . SER . 50722 2 388 . THR . 50722 2 389 . TYR . 50722 2 390 . ALA . 50722 2 391 . PRO . 50722 2 392 . GLU . 50722 2 393 . GLY . 50722 2 394 . GLU . 50722 2 395 . VAL . 50722 2 396 . LEU . 50722 2 397 . LYS . 50722 2 398 . ASN . 50722 2 399 . ASP . 50722 2 400 . LYS . 50722 2 401 . PRO . 50722 2 402 . ILE . 50722 2 403 . ARG . 50722 2 404 . SER . 50722 2 405 . GLY . 50722 2 406 . GLN . 50722 2 407 . PHE . 50722 2 408 . ASP . 50722 2 409 . GLY . 50722 2 410 . LEU . 50722 2 411 . VAL . 50722 2 412 . GLU . 50722 2 413 . LEU . 50722 2 414 . ALA . 50722 2 415 . THR . 50722 2 416 . ILE . 50722 2 417 . CYS . 50722 2 418 . ALA . 50722 2 419 . LEU . 50722 2 420 . CYS . 50722 2 421 . ASN . 50722 2 422 . ASP . 50722 2 423 . SER . 50722 2 424 . SER . 50722 2 425 . LEU . 50722 2 426 . ASP . 50722 2 427 . PHE . 50722 2 428 . ASN . 50722 2 429 . GLU . 50722 2 430 . THR . 50722 2 431 . LYS . 50722 2 432 . GLY . 50722 2 433 . VAL . 50722 2 434 . TYR . 50722 2 435 . GLU . 50722 2 436 . LYS . 50722 2 437 . VAL . 50722 2 438 . GLY . 50722 2 439 . GLU . 50722 2 440 . ALA . 50722 2 441 . THR . 50722 2 442 . GLU . 50722 2 443 . THR . 50722 2 444 . ALA . 50722 2 445 . LEU . 50722 2 446 . THR . 50722 2 447 . THR . 50722 2 448 . LEU . 50722 2 449 . VAL . 50722 2 450 . GLU . 50722 2 451 . LYS . 50722 2 452 . MET . 50722 2 453 . ASN . 50722 2 454 . VAL . 50722 2 455 . PHE . 50722 2 456 . ASN . 50722 2 457 . THR . 50722 2 458 . GLU . 50722 2 459 . VAL . 50722 2 460 . ARG . 50722 2 461 . ASN . 50722 2 462 . LEU . 50722 2 463 . SER . 50722 2 464 . LYS . 50722 2 465 . VAL . 50722 2 466 . GLU . 50722 2 467 . ARG . 50722 2 468 . ALA . 50722 2 469 . ASN . 50722 2 470 . ALA . 50722 2 471 . CYS . 50722 2 472 . ASN . 50722 2 473 . SER . 50722 2 474 . VAL . 50722 2 475 . ILE . 50722 2 476 . ARG . 50722 2 477 . GLN . 50722 2 478 . LEU . 50722 2 479 . MET . 50722 2 480 . LYS . 50722 2 481 . LYS . 50722 2 482 . GLU . 50722 2 483 . PHE . 50722 2 484 . THR . 50722 2 485 . LEU . 50722 2 486 . GLU . 50722 2 487 . PHE . 50722 2 488 . SER . 50722 2 489 . ARG . 50722 2 490 . ASP . 50722 2 491 . ARG . 50722 2 492 . LYS . 50722 2 493 . SER . 50722 2 494 . MET . 50722 2 495 . SER . 50722 2 496 . VAL . 50722 2 497 . TYR . 50722 2 498 . CYS . 50722 2 499 . SER . 50722 2 500 . PRO . 50722 2 501 . ALA . 50722 2 502 . LYS . 50722 2 503 . SER . 50722 2 504 . SER . 50722 2 505 . ARG . 50722 2 506 . ALA . 50722 2 507 . ALA . 50722 2 508 . VAL . 50722 2 509 . GLY . 50722 2 510 . ASN . 50722 2 511 . LYS . 50722 2 512 . MET . 50722 2 513 . PHE . 50722 2 514 . VAL . 50722 2 515 . LYS . 50722 2 516 . GLY . 50722 2 517 . ALA . 50722 2 518 . PRO . 50722 2 519 . GLU . 50722 2 520 . GLY . 50722 2 521 . VAL . 50722 2 522 . ILE . 50722 2 523 . ASP . 50722 2 524 . ARG . 50722 2 525 . CYS . 50722 2 526 . ASN . 50722 2 527 . TYR . 50722 2 528 . VAL . 50722 2 529 . ARG . 50722 2 530 . VAL . 50722 2 531 . GLY . 50722 2 532 . THR . 50722 2 533 . THR . 50722 2 534 . ARG . 50722 2 535 . VAL . 50722 2 536 . PRO . 50722 2 537 . MET . 50722 2 538 . THR . 50722 2 539 . GLY . 50722 2 540 . PRO . 50722 2 541 . VAL . 50722 2 542 . LYS . 50722 2 543 . GLU . 50722 2 544 . LYS . 50722 2 545 . ILE . 50722 2 546 . LEU . 50722 2 547 . SER . 50722 2 548 . VAL . 50722 2 549 . ILE . 50722 2 550 . LYS . 50722 2 551 . GLU . 50722 2 552 . TRP . 50722 2 553 . GLY . 50722 2 554 . THR . 50722 2 555 . GLY . 50722 2 556 . ARG . 50722 2 557 . ASP . 50722 2 558 . THR . 50722 2 559 . LEU . 50722 2 560 . ARG . 50722 2 561 . CYS . 50722 2 562 . LEU . 50722 2 563 . ALA . 50722 2 564 . LEU . 50722 2 565 . ALA . 50722 2 566 . THR . 50722 2 567 . ARG . 50722 2 568 . ASP . 50722 2 569 . THR . 50722 2 570 . PRO . 50722 2 571 . PRO . 50722 2 572 . LYS . 50722 2 573 . ARG . 50722 2 574 . GLU . 50722 2 575 . GLU . 50722 2 576 . MET . 50722 2 577 . VAL . 50722 2 578 . LEU . 50722 2 579 . ASP . 50722 2 580 . ASP . 50722 2 581 . SER . 50722 2 582 . SER . 50722 2 583 . ARG . 50722 2 584 . PHE . 50722 2 585 . MET . 50722 2 586 . GLU . 50722 2 587 . TYR . 50722 2 588 . GLU . 50722 2 589 . THR . 50722 2 590 . ASP . 50722 2 591 . LEU . 50722 2 592 . THR . 50722 2 593 . PHE . 50722 2 594 . VAL . 50722 2 595 . GLY . 50722 2 596 . VAL . 50722 2 597 . VAL . 50722 2 598 . GLY . 50722 2 599 . MET . 50722 2 600 . LEU . 50722 2 601 . ASP . 50722 2 602 . PRO . 50722 2 603 . PRO . 50722 2 604 . ARG . 50722 2 605 . LYS . 50722 2 606 . GLU . 50722 2 607 . VAL . 50722 2 608 . MET . 50722 2 609 . GLY . 50722 2 610 . SER . 50722 2 611 . ILE . 50722 2 612 . GLN . 50722 2 613 . LEU . 50722 2 614 . CYS . 50722 2 615 . ARG . 50722 2 616 . ASP . 50722 2 617 . ALA . 50722 2 618 . GLY . 50722 2 619 . ILE . 50722 2 620 . ARG . 50722 2 621 . VAL . 50722 2 622 . ILE . 50722 2 623 . MET . 50722 2 624 . ILE . 50722 2 625 . THR . 50722 2 626 . GLY . 50722 2 627 . ASP . 50722 2 628 . ASN . 50722 2 629 . LYS . 50722 2 630 . GLY . 50722 2 631 . THR . 50722 2 632 . ALA . 50722 2 633 . ILE . 50722 2 634 . ALA . 50722 2 635 . ILE . 50722 2 636 . CYS . 50722 2 637 . ARG . 50722 2 638 . ARG . 50722 2 639 . ILE . 50722 2 640 . GLY . 50722 2 641 . ILE . 50722 2 642 . PHE . 50722 2 643 . GLY . 50722 2 644 . GLU . 50722 2 645 . ASN . 50722 2 646 . GLU . 50722 2 647 . GLU . 50722 2 648 . VAL . 50722 2 649 . ALA . 50722 2 650 . ASP . 50722 2 651 . ARG . 50722 2 652 . ALA . 50722 2 653 . TYR . 50722 2 654 . THR . 50722 2 655 . GLY . 50722 2 656 . ARG . 50722 2 657 . GLU . 50722 2 658 . PHE . 50722 2 659 . ASP . 50722 2 660 . ASP . 50722 2 661 . LEU . 50722 2 662 . PRO . 50722 2 663 . LEU . 50722 2 664 . ALA . 50722 2 665 . GLU . 50722 2 666 . GLN . 50722 2 667 . ARG . 50722 2 668 . GLU . 50722 2 669 . ALA . 50722 2 670 . CYS . 50722 2 671 . ARG . 50722 2 672 . ARG . 50722 2 673 . ALA . 50722 2 674 . CYS . 50722 2 675 . CYS . 50722 2 676 . PHE . 50722 2 677 . ALA . 50722 2 678 . ARG . 50722 2 679 . VAL . 50722 2 680 . GLU . 50722 2 681 . PRO . 50722 2 682 . SER . 50722 2 683 . HIS . 50722 2 684 . LYS . 50722 2 685 . SER . 50722 2 686 . LYS . 50722 2 687 . ILE . 50722 2 688 . VAL . 50722 2 689 . GLU . 50722 2 690 . TYR . 50722 2 691 . LEU . 50722 2 692 . GLN . 50722 2 693 . SER . 50722 2 694 . TYR . 50722 2 695 . ASP . 50722 2 696 . GLU . 50722 2 697 . ILE . 50722 2 698 . THR . 50722 2 699 . ALA . 50722 2 700 . MET . 50722 2 701 . THR . 50722 2 702 . GLY . 50722 2 703 . ASP . 50722 2 704 . GLY . 50722 2 705 . VAL . 50722 2 706 . ASN . 50722 2 707 . ASP . 50722 2 708 . ALA . 50722 2 709 . PRO . 50722 2 710 . ALA . 50722 2 711 . LEU . 50722 2 712 . LYS . 50722 2 713 . LYS . 50722 2 714 . ALA . 50722 2 715 . GLU . 50722 2 716 . ILE . 50722 2 717 . GLY . 50722 2 718 . ILE . 50722 2 719 . ALA . 50722 2 720 . MET . 50722 2 721 . GLY . 50722 2 722 . SER . 50722 2 723 . GLY . 50722 2 724 . THR . 50722 2 725 . ALA . 50722 2 726 . VAL . 50722 2 727 . ALA . 50722 2 728 . LYS . 50722 2 729 . THR . 50722 2 730 . ALA . 50722 2 731 . SER . 50722 2 732 . GLU . 50722 2 733 . MET . 50722 2 734 . VAL . 50722 2 735 . LEU . 50722 2 736 . ALA . 50722 2 737 . ASP . 50722 2 738 . ASP . 50722 2 739 . ASN . 50722 2 740 . PHE . 50722 2 741 . SER . 50722 2 742 . THR . 50722 2 743 . ILE . 50722 2 744 . VAL . 50722 2 745 . ALA . 50722 2 746 . ALA . 50722 2 747 . VAL . 50722 2 748 . GLU . 50722 2 749 . GLU . 50722 2 750 . GLY . 50722 2 751 . ARG . 50722 2 752 . ALA . 50722 2 753 . ILE . 50722 2 754 . TYR . 50722 2 755 . ASN . 50722 2 756 . ASN . 50722 2 757 . MET . 50722 2 758 . LYS . 50722 2 759 . GLN . 50722 2 760 . PHE . 50722 2 761 . ILE . 50722 2 762 . ARG . 50722 2 763 . TYR . 50722 2 764 . LEU . 50722 2 765 . ILE . 50722 2 766 . SER . 50722 2 767 . SER . 50722 2 768 . ASN . 50722 2 769 . VAL . 50722 2 770 . GLY . 50722 2 771 . GLU . 50722 2 772 . VAL . 50722 2 773 . VAL . 50722 2 774 . CYS . 50722 2 775 . ILE . 50722 2 776 . PHE . 50722 2 777 . LEU . 50722 2 778 . THR . 50722 2 779 . ALA . 50722 2 780 . ALA . 50722 2 781 . LEU . 50722 2 782 . GLY . 50722 2 783 . LEU . 50722 2 784 . PRO . 50722 2 785 . GLU . 50722 2 786 . ALA . 50722 2 787 . LEU . 50722 2 788 . ILE . 50722 2 789 . PRO . 50722 2 790 . VAL . 50722 2 791 . GLN . 50722 2 792 . LEU . 50722 2 793 . LEU . 50722 2 794 . TRP . 50722 2 795 . VAL . 50722 2 796 . ASN . 50722 2 797 . LEU . 50722 2 798 . VAL . 50722 2 799 . THR . 50722 2 800 . ASP . 50722 2 801 . GLY . 50722 2 802 . LEU . 50722 2 803 . PRO . 50722 2 804 . ALA . 50722 2 805 . THR . 50722 2 806 . ALA . 50722 2 807 . LEU . 50722 2 808 . GLY . 50722 2 809 . PHE . 50722 2 810 . ASN . 50722 2 811 . PRO . 50722 2 812 . PRO . 50722 2 813 . ASP . 50722 2 814 . LEU . 50722 2 815 . ASP . 50722 2 816 . ILE . 50722 2 817 . MET . 50722 2 818 . ASP . 50722 2 819 . ARG . 50722 2 820 . PRO . 50722 2 821 . PRO . 50722 2 822 . ARG . 50722 2 823 . SER . 50722 2 824 . PRO . 50722 2 825 . LYS . 50722 2 826 . GLU . 50722 2 827 . PRO . 50722 2 828 . LEU . 50722 2 829 . ILE . 50722 2 830 . SER . 50722 2 831 . GLY . 50722 2 832 . TRP . 50722 2 833 . LEU . 50722 2 834 . PHE . 50722 2 835 . PHE . 50722 2 836 . ARG . 50722 2 837 . TYR . 50722 2 838 . MET . 50722 2 839 . ALA . 50722 2 840 . ILE . 50722 2 841 . GLY . 50722 2 842 . GLY . 50722 2 843 . TYR . 50722 2 844 . VAL . 50722 2 845 . GLY . 50722 2 846 . ALA . 50722 2 847 . ALA . 50722 2 848 . THR . 50722 2 849 . VAL . 50722 2 850 . GLY . 50722 2 851 . ALA . 50722 2 852 . ALA . 50722 2 853 . ALA . 50722 2 854 . TRP . 50722 2 855 . TRP . 50722 2 856 . PHE . 50722 2 857 . MET . 50722 2 858 . TYR . 50722 2 859 . ALA . 50722 2 860 . GLU . 50722 2 861 . ASP . 50722 2 862 . GLY . 50722 2 863 . PRO . 50722 2 864 . GLY . 50722 2 865 . VAL . 50722 2 866 . THR . 50722 2 867 . TYR . 50722 2 868 . HIS . 50722 2 869 . GLN . 50722 2 870 . LEU . 50722 2 871 . THR . 50722 2 872 . HIS . 50722 2 873 . PHE . 50722 2 874 . MET . 50722 2 875 . GLN . 50722 2 876 . CYS . 50722 2 877 . THR . 50722 2 878 . GLU . 50722 2 879 . ASP . 50722 2 880 . HIS . 50722 2 881 . PRO . 50722 2 882 . HIS . 50722 2 883 . PHE . 50722 2 884 . GLU . 50722 2 885 . GLY . 50722 2 886 . LEU . 50722 2 887 . ASP . 50722 2 888 . CYS . 50722 2 889 . GLU . 50722 2 890 . ILE . 50722 2 891 . PHE . 50722 2 892 . GLU . 50722 2 893 . ALA . 50722 2 894 . PRO . 50722 2 895 . GLU . 50722 2 896 . PRO . 50722 2 897 . MET . 50722 2 898 . THR . 50722 2 899 . MET . 50722 2 900 . ALA . 50722 2 901 . LEU . 50722 2 902 . SER . 50722 2 903 . VAL . 50722 2 904 . LEU . 50722 2 905 . VAL . 50722 2 906 . THR . 50722 2 907 . ILE . 50722 2 908 . GLU . 50722 2 909 . MET . 50722 2 910 . CYS . 50722 2 911 . ASN . 50722 2 912 . ALA . 50722 2 913 . LEU . 50722 2 914 . ASN . 50722 2 915 . SER . 50722 2 916 . LEU . 50722 2 917 . SER . 50722 2 918 . GLU . 50722 2 919 . ASN . 50722 2 920 . GLN . 50722 2 921 . SER . 50722 2 922 . LEU . 50722 2 923 . MET . 50722 2 924 . ARG . 50722 2 925 . MET . 50722 2 926 . PRO . 50722 2 927 . PRO . 50722 2 928 . TRP . 50722 2 929 . VAL . 50722 2 930 . ASN . 50722 2 931 . ILE . 50722 2 932 . TRP . 50722 2 933 . LEU . 50722 2 934 . LEU . 50722 2 935 . GLY . 50722 2 936 . SER . 50722 2 937 . ILE . 50722 2 938 . CYS . 50722 2 939 . LEU . 50722 2 940 . SER . 50722 2 941 . MET . 50722 2 942 . SER . 50722 2 943 . LEU . 50722 2 944 . HIS . 50722 2 945 . PHE . 50722 2 946 . LEU . 50722 2 947 . ILE . 50722 2 948 . LEU . 50722 2 949 . TYR . 50722 2 950 . VAL . 50722 2 951 . ASP . 50722 2 952 . PRO . 50722 2 953 . LEU . 50722 2 954 . PRO . 50722 2 955 . MET . 50722 2 956 . ILE . 50722 2 957 . PHE . 50722 2 958 . LYS . 50722 2 959 . LEU . 50722 2 960 . LYS . 50722 2 961 . ALA . 50722 2 962 . LEU . 50722 2 963 . ASP . 50722 2 964 . LEU . 50722 2 965 . THR . 50722 2 966 . GLN . 50722 2 967 . TRP . 50722 2 968 . LEU . 50722 2 969 . MET . 50722 2 970 . VAL . 50722 2 971 . LEU . 50722 2 972 . LYS . 50722 2 973 . ILE . 50722 2 974 . SER . 50722 2 975 . LEU . 50722 2 976 . PRO . 50722 2 977 . VAL . 50722 2 978 . ILE . 50722 2 979 . GLY . 50722 2 980 . LEU . 50722 2 981 . ASP . 50722 2 982 . GLU . 50722 2 983 . ILE . 50722 2 984 . LEU . 50722 2 985 . LYS . 50722 2 986 . PHE . 50722 2 987 . ILE . 50722 2 988 . ALA . 50722 2 989 . ARG . 50722 2 990 . ASN . 50722 2 991 . TYR . 50722 2 992 . LEU . 50722 2 993 . GLU . 50722 2 994 . ASP . 50722 2 995 . PRO . 50722 2 996 . GLU . 50722 2 997 . ASP . 50722 2 998 . GLU . 50722 2 999 . ARG . 50722 2 1000 . ARG . 50722 2 1001 . LYS . 50722 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 50722 2 . GLU 2 2 50722 2 . ALA 3 3 50722 2 . ALA 4 4 50722 2 . HIS 5 5 50722 2 . SER 6 6 50722 2 . LYS 7 7 50722 2 . SER 8 8 50722 2 . THR 9 9 50722 2 . GLU 10 10 50722 2 . GLU 11 11 50722 2 . CYS 12 12 50722 2 . LEU 13 13 50722 2 . ALA 14 14 50722 2 . TYR 15 15 50722 2 . PHE 16 16 50722 2 . GLY 17 17 50722 2 . VAL 18 18 50722 2 . SER 19 19 50722 2 . GLU 20 20 50722 2 . THR 21 21 50722 2 . THR 22 22 50722 2 . GLY 23 23 50722 2 . LEU 24 24 50722 2 . THR 25 25 50722 2 . PRO 26 26 50722 2 . ASP 27 27 50722 2 . GLN 28 28 50722 2 . VAL 29 29 50722 2 . LYS 30 30 50722 2 . ARG 31 31 50722 2 . HIS 32 32 50722 2 . LEU 33 33 50722 2 . GLU 34 34 50722 2 . LYS 35 35 50722 2 . TYR 36 36 50722 2 . GLY 37 37 50722 2 . HIS 38 38 50722 2 . ASN 39 39 50722 2 . GLU 40 40 50722 2 . LEU 41 41 50722 2 . PRO 42 42 50722 2 . ALA 43 43 50722 2 . GLU 44 44 50722 2 . GLU 45 45 50722 2 . GLY 46 46 50722 2 . LYS 47 47 50722 2 . SER 48 48 50722 2 . LEU 49 49 50722 2 . TRP 50 50 50722 2 . GLU 51 51 50722 2 . LEU 52 52 50722 2 . VAL 53 53 50722 2 . ILE 54 54 50722 2 . GLU 55 55 50722 2 . GLN 56 56 50722 2 . PHE 57 57 50722 2 . GLU 58 58 50722 2 . ASP 59 59 50722 2 . LEU 60 60 50722 2 . LEU 61 61 50722 2 . VAL 62 62 50722 2 . ARG 63 63 50722 2 . ILE 64 64 50722 2 . LEU 65 65 50722 2 . LEU 66 66 50722 2 . LEU 67 67 50722 2 . ALA 68 68 50722 2 . ALA 69 69 50722 2 . CYS 70 70 50722 2 . ILE 71 71 50722 2 . SER 72 72 50722 2 . PHE 73 73 50722 2 . VAL 74 74 50722 2 . LEU 75 75 50722 2 . ALA 76 76 50722 2 . TRP 77 77 50722 2 . PHE 78 78 50722 2 . GLU 79 79 50722 2 . GLU 80 80 50722 2 . GLY 81 81 50722 2 . GLU 82 82 50722 2 . GLU 83 83 50722 2 . THR 84 84 50722 2 . ILE 85 85 50722 2 . THR 86 86 50722 2 . ALA 87 87 50722 2 . PHE 88 88 50722 2 . VAL 89 89 50722 2 . GLU 90 90 50722 2 . PRO 91 91 50722 2 . PHE 92 92 50722 2 . VAL 93 93 50722 2 . ILE 94 94 50722 2 . LEU 95 95 50722 2 . LEU 96 96 50722 2 . ILE 97 97 50722 2 . LEU 98 98 50722 2 . ILE 99 99 50722 2 . ALA 100 100 50722 2 . ASN 101 101 50722 2 . ALA 102 102 50722 2 . ILE 103 103 50722 2 . VAL 104 104 50722 2 . GLY 105 105 50722 2 . VAL 106 106 50722 2 . TRP 107 107 50722 2 . GLN 108 108 50722 2 . GLU 109 109 50722 2 . ARG 110 110 50722 2 . ASN 111 111 50722 2 . ALA 112 112 50722 2 . GLU 113 113 50722 2 . ASN 114 114 50722 2 . ALA 115 115 50722 2 . ILE 116 116 50722 2 . GLU 117 117 50722 2 . ALA 118 118 50722 2 . LEU 119 119 50722 2 . LYS 120 120 50722 2 . GLU 121 121 50722 2 . TYR 122 122 50722 2 . GLU 123 123 50722 2 . PRO 124 124 50722 2 . GLU 125 125 50722 2 . MET 126 126 50722 2 . GLY 127 127 50722 2 . LYS 128 128 50722 2 . VAL 129 129 50722 2 . TYR 130 130 50722 2 . ARG 131 131 50722 2 . ALA 132 132 50722 2 . ASP 133 133 50722 2 . ARG 134 134 50722 2 . LYS 135 135 50722 2 . SER 136 136 50722 2 . VAL 137 137 50722 2 . GLN 138 138 50722 2 . ARG 139 139 50722 2 . ILE 140 140 50722 2 . LYS 141 141 50722 2 . ALA 142 142 50722 2 . ARG 143 143 50722 2 . ASP 144 144 50722 2 . ILE 145 145 50722 2 . VAL 146 146 50722 2 . PRO 147 147 50722 2 . GLY 148 148 50722 2 . ASP 149 149 50722 2 . ILE 150 150 50722 2 . VAL 151 151 50722 2 . GLU 152 152 50722 2 . VAL 153 153 50722 2 . ALA 154 154 50722 2 . VAL 155 155 50722 2 . GLY 156 156 50722 2 . ASP 157 157 50722 2 . LYS 158 158 50722 2 . VAL 159 159 50722 2 . PRO 160 160 50722 2 . ALA 161 161 50722 2 . ASP 162 162 50722 2 . ILE 163 163 50722 2 . ARG 164 164 50722 2 . ILE 165 165 50722 2 . LEU 166 166 50722 2 . SER 167 167 50722 2 . ILE 168 168 50722 2 . LYS 169 169 50722 2 . SER 170 170 50722 2 . THR 171 171 50722 2 . THR 172 172 50722 2 . LEU 173 173 50722 2 . ARG 174 174 50722 2 . VAL 175 175 50722 2 . ASP 176 176 50722 2 . GLN 177 177 50722 2 . SER 178 178 50722 2 . ILE 179 179 50722 2 . LEU 180 180 50722 2 . THR 181 181 50722 2 . GLY 182 182 50722 2 . GLU 183 183 50722 2 . SER 184 184 50722 2 . VAL 185 185 50722 2 . SER 186 186 50722 2 . VAL 187 187 50722 2 . ILE 188 188 50722 2 . LYS 189 189 50722 2 . HIS 190 190 50722 2 . THR 191 191 50722 2 . GLU 192 192 50722 2 . PRO 193 193 50722 2 . VAL 194 194 50722 2 . PRO 195 195 50722 2 . ASP 196 196 50722 2 . PRO 197 197 50722 2 . ARG 198 198 50722 2 . ALA 199 199 50722 2 . VAL 200 200 50722 2 . ASN 201 201 50722 2 . GLN 202 202 50722 2 . ASP 203 203 50722 2 . LYS 204 204 50722 2 . LYS 205 205 50722 2 . ASN 206 206 50722 2 . MET 207 207 50722 2 . LEU 208 208 50722 2 . PHE 209 209 50722 2 . SER 210 210 50722 2 . GLY 211 211 50722 2 . THR 212 212 50722 2 . ASN 213 213 50722 2 . ILE 214 214 50722 2 . ALA 215 215 50722 2 . ALA 216 216 50722 2 . GLY 217 217 50722 2 . LYS 218 218 50722 2 . ALA 219 219 50722 2 . LEU 220 220 50722 2 . GLY 221 221 50722 2 . ILE 222 222 50722 2 . VAL 223 223 50722 2 . ALA 224 224 50722 2 . THR 225 225 50722 2 . THR 226 226 50722 2 . GLY 227 227 50722 2 . VAL 228 228 50722 2 . SER 229 229 50722 2 . THR 230 230 50722 2 . GLU 231 231 50722 2 . ILE 232 232 50722 2 . GLY 233 233 50722 2 . LYS 234 234 50722 2 . ILE 235 235 50722 2 . ARG 236 236 50722 2 . ASP 237 237 50722 2 . GLN 238 238 50722 2 . MET 239 239 50722 2 . ALA 240 240 50722 2 . ALA 241 241 50722 2 . THR 242 242 50722 2 . GLU 243 243 50722 2 . GLN 244 244 50722 2 . ASP 245 245 50722 2 . LYS 246 246 50722 2 . THR 247 247 50722 2 . PRO 248 248 50722 2 . LEU 249 249 50722 2 . GLN 250 250 50722 2 . GLN 251 251 50722 2 . LYS 252 252 50722 2 . LEU 253 253 50722 2 . ASP 254 254 50722 2 . GLU 255 255 50722 2 . PHE 256 256 50722 2 . GLY 257 257 50722 2 . GLU 258 258 50722 2 . GLN 259 259 50722 2 . LEU 260 260 50722 2 . SER 261 261 50722 2 . LYS 262 262 50722 2 . VAL 263 263 50722 2 . ILE 264 264 50722 2 . SER 265 265 50722 2 . LEU 266 266 50722 2 . ILE 267 267 50722 2 . CYS 268 268 50722 2 . VAL 269 269 50722 2 . ALA 270 270 50722 2 . VAL 271 271 50722 2 . TRP 272 272 50722 2 . LEU 273 273 50722 2 . ILE 274 274 50722 2 . ASN 275 275 50722 2 . ILE 276 276 50722 2 . GLY 277 277 50722 2 . HIS 278 278 50722 2 . PHE 279 279 50722 2 . ASN 280 280 50722 2 . ASP 281 281 50722 2 . PRO 282 282 50722 2 . VAL 283 283 50722 2 . HIS 284 284 50722 2 . GLY 285 285 50722 2 . GLY 286 286 50722 2 . SER 287 287 50722 2 . TRP 288 288 50722 2 . ILE 289 289 50722 2 . ARG 290 290 50722 2 . GLY 291 291 50722 2 . ALA 292 292 50722 2 . ILE 293 293 50722 2 . TYR 294 294 50722 2 . TYR 295 295 50722 2 . PHE 296 296 50722 2 . LYS 297 297 50722 2 . ILE 298 298 50722 2 . ALA 299 299 50722 2 . VAL 300 300 50722 2 . ALA 301 301 50722 2 . LEU 302 302 50722 2 . ALA 303 303 50722 2 . VAL 304 304 50722 2 . ALA 305 305 50722 2 . ALA 306 306 50722 2 . ILE 307 307 50722 2 . PRO 308 308 50722 2 . GLU 309 309 50722 2 . GLY 310 310 50722 2 . LEU 311 311 50722 2 . PRO 312 312 50722 2 . ALA 313 313 50722 2 . VAL 314 314 50722 2 . ILE 315 315 50722 2 . THR 316 316 50722 2 . THR 317 317 50722 2 . CYS 318 318 50722 2 . LEU 319 319 50722 2 . ALA 320 320 50722 2 . LEU 321 321 50722 2 . GLY 322 322 50722 2 . THR 323 323 50722 2 . ARG 324 324 50722 2 . ARG 325 325 50722 2 . MET 326 326 50722 2 . ALA 327 327 50722 2 . LYS 328 328 50722 2 . LYS 329 329 50722 2 . ASN 330 330 50722 2 . ALA 331 331 50722 2 . ILE 332 332 50722 2 . VAL 333 333 50722 2 . ARG 334 334 50722 2 . SER 335 335 50722 2 . LEU 336 336 50722 2 . PRO 337 337 50722 2 . SER 338 338 50722 2 . VAL 339 339 50722 2 . GLU 340 340 50722 2 . THR 341 341 50722 2 . LEU 342 342 50722 2 . GLY 343 343 50722 2 . CYS 344 344 50722 2 . THR 345 345 50722 2 . SER 346 346 50722 2 . VAL 347 347 50722 2 . ILE 348 348 50722 2 . CYS 349 349 50722 2 . SER 350 350 50722 2 . ASP 351 351 50722 2 . LYS 352 352 50722 2 . THR 353 353 50722 2 . GLY 354 354 50722 2 . THR 355 355 50722 2 . LEU 356 356 50722 2 . THR 357 357 50722 2 . THR 358 358 50722 2 . ASN 359 359 50722 2 . GLN 360 360 50722 2 . MET 361 361 50722 2 . SER 362 362 50722 2 . VAL 363 363 50722 2 . CYS 364 364 50722 2 . LYS 365 365 50722 2 . MET 366 366 50722 2 . PHE 367 367 50722 2 . ILE 368 368 50722 2 . ILE 369 369 50722 2 . ASP 370 370 50722 2 . LYS 371 371 50722 2 . VAL 372 372 50722 2 . ASP 373 373 50722 2 . GLY 374 374 50722 2 . ASP 375 375 50722 2 . PHE 376 376 50722 2 . CYS 377 377 50722 2 . SER 378 378 50722 2 . LEU 379 379 50722 2 . ASN 380 380 50722 2 . GLU 381 381 50722 2 . PHE 382 382 50722 2 . SER 383 383 50722 2 . ILE 384 384 50722 2 . THR 385 385 50722 2 . GLY 386 386 50722 2 . SER 387 387 50722 2 . THR 388 388 50722 2 . TYR 389 389 50722 2 . ALA 390 390 50722 2 . PRO 391 391 50722 2 . GLU 392 392 50722 2 . GLY 393 393 50722 2 . GLU 394 394 50722 2 . VAL 395 395 50722 2 . LEU 396 396 50722 2 . LYS 397 397 50722 2 . ASN 398 398 50722 2 . ASP 399 399 50722 2 . LYS 400 400 50722 2 . PRO 401 401 50722 2 . ILE 402 402 50722 2 . ARG 403 403 50722 2 . SER 404 404 50722 2 . GLY 405 405 50722 2 . GLN 406 406 50722 2 . PHE 407 407 50722 2 . ASP 408 408 50722 2 . GLY 409 409 50722 2 . LEU 410 410 50722 2 . VAL 411 411 50722 2 . GLU 412 412 50722 2 . LEU 413 413 50722 2 . ALA 414 414 50722 2 . THR 415 415 50722 2 . ILE 416 416 50722 2 . CYS 417 417 50722 2 . ALA 418 418 50722 2 . LEU 419 419 50722 2 . CYS 420 420 50722 2 . ASN 421 421 50722 2 . ASP 422 422 50722 2 . SER 423 423 50722 2 . SER 424 424 50722 2 . LEU 425 425 50722 2 . ASP 426 426 50722 2 . PHE 427 427 50722 2 . ASN 428 428 50722 2 . GLU 429 429 50722 2 . THR 430 430 50722 2 . LYS 431 431 50722 2 . GLY 432 432 50722 2 . VAL 433 433 50722 2 . TYR 434 434 50722 2 . GLU 435 435 50722 2 . LYS 436 436 50722 2 . VAL 437 437 50722 2 . GLY 438 438 50722 2 . GLU 439 439 50722 2 . ALA 440 440 50722 2 . THR 441 441 50722 2 . GLU 442 442 50722 2 . THR 443 443 50722 2 . ALA 444 444 50722 2 . LEU 445 445 50722 2 . THR 446 446 50722 2 . THR 447 447 50722 2 . LEU 448 448 50722 2 . VAL 449 449 50722 2 . GLU 450 450 50722 2 . LYS 451 451 50722 2 . MET 452 452 50722 2 . ASN 453 453 50722 2 . VAL 454 454 50722 2 . PHE 455 455 50722 2 . ASN 456 456 50722 2 . THR 457 457 50722 2 . GLU 458 458 50722 2 . VAL 459 459 50722 2 . ARG 460 460 50722 2 . ASN 461 461 50722 2 . LEU 462 462 50722 2 . SER 463 463 50722 2 . LYS 464 464 50722 2 . VAL 465 465 50722 2 . GLU 466 466 50722 2 . ARG 467 467 50722 2 . ALA 468 468 50722 2 . ASN 469 469 50722 2 . ALA 470 470 50722 2 . CYS 471 471 50722 2 . ASN 472 472 50722 2 . SER 473 473 50722 2 . VAL 474 474 50722 2 . ILE 475 475 50722 2 . ARG 476 476 50722 2 . GLN 477 477 50722 2 . LEU 478 478 50722 2 . MET 479 479 50722 2 . LYS 480 480 50722 2 . LYS 481 481 50722 2 . GLU 482 482 50722 2 . PHE 483 483 50722 2 . THR 484 484 50722 2 . LEU 485 485 50722 2 . GLU 486 486 50722 2 . PHE 487 487 50722 2 . SER 488 488 50722 2 . ARG 489 489 50722 2 . ASP 490 490 50722 2 . ARG 491 491 50722 2 . LYS 492 492 50722 2 . SER 493 493 50722 2 . MET 494 494 50722 2 . SER 495 495 50722 2 . VAL 496 496 50722 2 . TYR 497 497 50722 2 . CYS 498 498 50722 2 . SER 499 499 50722 2 . PRO 500 500 50722 2 . ALA 501 501 50722 2 . LYS 502 502 50722 2 . SER 503 503 50722 2 . SER 504 504 50722 2 . ARG 505 505 50722 2 . ALA 506 506 50722 2 . ALA 507 507 50722 2 . VAL 508 508 50722 2 . GLY 509 509 50722 2 . ASN 510 510 50722 2 . LYS 511 511 50722 2 . MET 512 512 50722 2 . PHE 513 513 50722 2 . VAL 514 514 50722 2 . LYS 515 515 50722 2 . GLY 516 516 50722 2 . ALA 517 517 50722 2 . PRO 518 518 50722 2 . GLU 519 519 50722 2 . GLY 520 520 50722 2 . VAL 521 521 50722 2 . ILE 522 522 50722 2 . ASP 523 523 50722 2 . ARG 524 524 50722 2 . CYS 525 525 50722 2 . ASN 526 526 50722 2 . TYR 527 527 50722 2 . VAL 528 528 50722 2 . ARG 529 529 50722 2 . VAL 530 530 50722 2 . GLY 531 531 50722 2 . THR 532 532 50722 2 . THR 533 533 50722 2 . ARG 534 534 50722 2 . VAL 535 535 50722 2 . PRO 536 536 50722 2 . MET 537 537 50722 2 . THR 538 538 50722 2 . GLY 539 539 50722 2 . PRO 540 540 50722 2 . VAL 541 541 50722 2 . LYS 542 542 50722 2 . GLU 543 543 50722 2 . LYS 544 544 50722 2 . ILE 545 545 50722 2 . LEU 546 546 50722 2 . SER 547 547 50722 2 . VAL 548 548 50722 2 . ILE 549 549 50722 2 . LYS 550 550 50722 2 . GLU 551 551 50722 2 . TRP 552 552 50722 2 . GLY 553 553 50722 2 . THR 554 554 50722 2 . GLY 555 555 50722 2 . ARG 556 556 50722 2 . ASP 557 557 50722 2 . THR 558 558 50722 2 . LEU 559 559 50722 2 . ARG 560 560 50722 2 . CYS 561 561 50722 2 . LEU 562 562 50722 2 . ALA 563 563 50722 2 . LEU 564 564 50722 2 . ALA 565 565 50722 2 . THR 566 566 50722 2 . ARG 567 567 50722 2 . ASP 568 568 50722 2 . THR 569 569 50722 2 . PRO 570 570 50722 2 . PRO 571 571 50722 2 . LYS 572 572 50722 2 . ARG 573 573 50722 2 . GLU 574 574 50722 2 . GLU 575 575 50722 2 . MET 576 576 50722 2 . VAL 577 577 50722 2 . LEU 578 578 50722 2 . ASP 579 579 50722 2 . ASP 580 580 50722 2 . SER 581 581 50722 2 . SER 582 582 50722 2 . ARG 583 583 50722 2 . PHE 584 584 50722 2 . MET 585 585 50722 2 . GLU 586 586 50722 2 . TYR 587 587 50722 2 . GLU 588 588 50722 2 . THR 589 589 50722 2 . ASP 590 590 50722 2 . LEU 591 591 50722 2 . THR 592 592 50722 2 . PHE 593 593 50722 2 . VAL 594 594 50722 2 . GLY 595 595 50722 2 . VAL 596 596 50722 2 . VAL 597 597 50722 2 . GLY 598 598 50722 2 . MET 599 599 50722 2 . LEU 600 600 50722 2 . ASP 601 601 50722 2 . PRO 602 602 50722 2 . PRO 603 603 50722 2 . ARG 604 604 50722 2 . LYS 605 605 50722 2 . GLU 606 606 50722 2 . VAL 607 607 50722 2 . MET 608 608 50722 2 . GLY 609 609 50722 2 . SER 610 610 50722 2 . ILE 611 611 50722 2 . GLN 612 612 50722 2 . LEU 613 613 50722 2 . CYS 614 614 50722 2 . ARG 615 615 50722 2 . ASP 616 616 50722 2 . ALA 617 617 50722 2 . GLY 618 618 50722 2 . ILE 619 619 50722 2 . ARG 620 620 50722 2 . VAL 621 621 50722 2 . ILE 622 622 50722 2 . MET 623 623 50722 2 . ILE 624 624 50722 2 . THR 625 625 50722 2 . GLY 626 626 50722 2 . ASP 627 627 50722 2 . ASN 628 628 50722 2 . LYS 629 629 50722 2 . GLY 630 630 50722 2 . THR 631 631 50722 2 . ALA 632 632 50722 2 . ILE 633 633 50722 2 . ALA 634 634 50722 2 . ILE 635 635 50722 2 . CYS 636 636 50722 2 . ARG 637 637 50722 2 . ARG 638 638 50722 2 . ILE 639 639 50722 2 . GLY 640 640 50722 2 . ILE 641 641 50722 2 . PHE 642 642 50722 2 . GLY 643 643 50722 2 . GLU 644 644 50722 2 . ASN 645 645 50722 2 . GLU 646 646 50722 2 . GLU 647 647 50722 2 . VAL 648 648 50722 2 . ALA 649 649 50722 2 . ASP 650 650 50722 2 . ARG 651 651 50722 2 . ALA 652 652 50722 2 . TYR 653 653 50722 2 . THR 654 654 50722 2 . GLY 655 655 50722 2 . ARG 656 656 50722 2 . GLU 657 657 50722 2 . PHE 658 658 50722 2 . ASP 659 659 50722 2 . ASP 660 660 50722 2 . LEU 661 661 50722 2 . PRO 662 662 50722 2 . LEU 663 663 50722 2 . ALA 664 664 50722 2 . GLU 665 665 50722 2 . GLN 666 666 50722 2 . ARG 667 667 50722 2 . GLU 668 668 50722 2 . ALA 669 669 50722 2 . CYS 670 670 50722 2 . ARG 671 671 50722 2 . ARG 672 672 50722 2 . ALA 673 673 50722 2 . CYS 674 674 50722 2 . CYS 675 675 50722 2 . PHE 676 676 50722 2 . ALA 677 677 50722 2 . ARG 678 678 50722 2 . VAL 679 679 50722 2 . GLU 680 680 50722 2 . PRO 681 681 50722 2 . SER 682 682 50722 2 . HIS 683 683 50722 2 . LYS 684 684 50722 2 . SER 685 685 50722 2 . LYS 686 686 50722 2 . ILE 687 687 50722 2 . VAL 688 688 50722 2 . GLU 689 689 50722 2 . TYR 690 690 50722 2 . LEU 691 691 50722 2 . GLN 692 692 50722 2 . SER 693 693 50722 2 . TYR 694 694 50722 2 . ASP 695 695 50722 2 . GLU 696 696 50722 2 . ILE 697 697 50722 2 . THR 698 698 50722 2 . ALA 699 699 50722 2 . MET 700 700 50722 2 . THR 701 701 50722 2 . GLY 702 702 50722 2 . ASP 703 703 50722 2 . GLY 704 704 50722 2 . VAL 705 705 50722 2 . ASN 706 706 50722 2 . ASP 707 707 50722 2 . ALA 708 708 50722 2 . PRO 709 709 50722 2 . ALA 710 710 50722 2 . LEU 711 711 50722 2 . LYS 712 712 50722 2 . LYS 713 713 50722 2 . ALA 714 714 50722 2 . GLU 715 715 50722 2 . ILE 716 716 50722 2 . GLY 717 717 50722 2 . ILE 718 718 50722 2 . ALA 719 719 50722 2 . MET 720 720 50722 2 . GLY 721 721 50722 2 . SER 722 722 50722 2 . GLY 723 723 50722 2 . THR 724 724 50722 2 . ALA 725 725 50722 2 . VAL 726 726 50722 2 . ALA 727 727 50722 2 . LYS 728 728 50722 2 . THR 729 729 50722 2 . ALA 730 730 50722 2 . SER 731 731 50722 2 . GLU 732 732 50722 2 . MET 733 733 50722 2 . VAL 734 734 50722 2 . LEU 735 735 50722 2 . ALA 736 736 50722 2 . ASP 737 737 50722 2 . ASP 738 738 50722 2 . ASN 739 739 50722 2 . PHE 740 740 50722 2 . SER 741 741 50722 2 . THR 742 742 50722 2 . ILE 743 743 50722 2 . VAL 744 744 50722 2 . ALA 745 745 50722 2 . ALA 746 746 50722 2 . VAL 747 747 50722 2 . GLU 748 748 50722 2 . GLU 749 749 50722 2 . GLY 750 750 50722 2 . ARG 751 751 50722 2 . ALA 752 752 50722 2 . ILE 753 753 50722 2 . TYR 754 754 50722 2 . ASN 755 755 50722 2 . ASN 756 756 50722 2 . MET 757 757 50722 2 . LYS 758 758 50722 2 . GLN 759 759 50722 2 . PHE 760 760 50722 2 . ILE 761 761 50722 2 . ARG 762 762 50722 2 . TYR 763 763 50722 2 . LEU 764 764 50722 2 . ILE 765 765 50722 2 . SER 766 766 50722 2 . SER 767 767 50722 2 . ASN 768 768 50722 2 . VAL 769 769 50722 2 . GLY 770 770 50722 2 . GLU 771 771 50722 2 . VAL 772 772 50722 2 . VAL 773 773 50722 2 . CYS 774 774 50722 2 . ILE 775 775 50722 2 . PHE 776 776 50722 2 . LEU 777 777 50722 2 . THR 778 778 50722 2 . ALA 779 779 50722 2 . ALA 780 780 50722 2 . LEU 781 781 50722 2 . GLY 782 782 50722 2 . LEU 783 783 50722 2 . PRO 784 784 50722 2 . GLU 785 785 50722 2 . ALA 786 786 50722 2 . LEU 787 787 50722 2 . ILE 788 788 50722 2 . PRO 789 789 50722 2 . VAL 790 790 50722 2 . GLN 791 791 50722 2 . LEU 792 792 50722 2 . LEU 793 793 50722 2 . TRP 794 794 50722 2 . VAL 795 795 50722 2 . ASN 796 796 50722 2 . LEU 797 797 50722 2 . VAL 798 798 50722 2 . THR 799 799 50722 2 . ASP 800 800 50722 2 . GLY 801 801 50722 2 . LEU 802 802 50722 2 . PRO 803 803 50722 2 . ALA 804 804 50722 2 . THR 805 805 50722 2 . ALA 806 806 50722 2 . LEU 807 807 50722 2 . GLY 808 808 50722 2 . PHE 809 809 50722 2 . ASN 810 810 50722 2 . PRO 811 811 50722 2 . PRO 812 812 50722 2 . ASP 813 813 50722 2 . LEU 814 814 50722 2 . ASP 815 815 50722 2 . ILE 816 816 50722 2 . MET 817 817 50722 2 . ASP 818 818 50722 2 . ARG 819 819 50722 2 . PRO 820 820 50722 2 . PRO 821 821 50722 2 . ARG 822 822 50722 2 . SER 823 823 50722 2 . PRO 824 824 50722 2 . LYS 825 825 50722 2 . GLU 826 826 50722 2 . PRO 827 827 50722 2 . LEU 828 828 50722 2 . ILE 829 829 50722 2 . SER 830 830 50722 2 . GLY 831 831 50722 2 . TRP 832 832 50722 2 . LEU 833 833 50722 2 . PHE 834 834 50722 2 . PHE 835 835 50722 2 . ARG 836 836 50722 2 . TYR 837 837 50722 2 . MET 838 838 50722 2 . ALA 839 839 50722 2 . ILE 840 840 50722 2 . GLY 841 841 50722 2 . GLY 842 842 50722 2 . TYR 843 843 50722 2 . VAL 844 844 50722 2 . GLY 845 845 50722 2 . ALA 846 846 50722 2 . ALA 847 847 50722 2 . THR 848 848 50722 2 . VAL 849 849 50722 2 . GLY 850 850 50722 2 . ALA 851 851 50722 2 . ALA 852 852 50722 2 . ALA 853 853 50722 2 . TRP 854 854 50722 2 . TRP 855 855 50722 2 . PHE 856 856 50722 2 . MET 857 857 50722 2 . TYR 858 858 50722 2 . ALA 859 859 50722 2 . GLU 860 860 50722 2 . ASP 861 861 50722 2 . GLY 862 862 50722 2 . PRO 863 863 50722 2 . GLY 864 864 50722 2 . VAL 865 865 50722 2 . THR 866 866 50722 2 . TYR 867 867 50722 2 . HIS 868 868 50722 2 . GLN 869 869 50722 2 . LEU 870 870 50722 2 . THR 871 871 50722 2 . HIS 872 872 50722 2 . PHE 873 873 50722 2 . MET 874 874 50722 2 . GLN 875 875 50722 2 . CYS 876 876 50722 2 . THR 877 877 50722 2 . GLU 878 878 50722 2 . ASP 879 879 50722 2 . HIS 880 880 50722 2 . PRO 881 881 50722 2 . HIS 882 882 50722 2 . PHE 883 883 50722 2 . GLU 884 884 50722 2 . GLY 885 885 50722 2 . LEU 886 886 50722 2 . ASP 887 887 50722 2 . CYS 888 888 50722 2 . GLU 889 889 50722 2 . ILE 890 890 50722 2 . PHE 891 891 50722 2 . GLU 892 892 50722 2 . ALA 893 893 50722 2 . PRO 894 894 50722 2 . GLU 895 895 50722 2 . PRO 896 896 50722 2 . MET 897 897 50722 2 . THR 898 898 50722 2 . MET 899 899 50722 2 . ALA 900 900 50722 2 . LEU 901 901 50722 2 . SER 902 902 50722 2 . VAL 903 903 50722 2 . LEU 904 904 50722 2 . VAL 905 905 50722 2 . THR 906 906 50722 2 . ILE 907 907 50722 2 . GLU 908 908 50722 2 . MET 909 909 50722 2 . CYS 910 910 50722 2 . ASN 911 911 50722 2 . ALA 912 912 50722 2 . LEU 913 913 50722 2 . ASN 914 914 50722 2 . SER 915 915 50722 2 . LEU 916 916 50722 2 . SER 917 917 50722 2 . GLU 918 918 50722 2 . ASN 919 919 50722 2 . GLN 920 920 50722 2 . SER 921 921 50722 2 . LEU 922 922 50722 2 . MET 923 923 50722 2 . ARG 924 924 50722 2 . MET 925 925 50722 2 . PRO 926 926 50722 2 . PRO 927 927 50722 2 . TRP 928 928 50722 2 . VAL 929 929 50722 2 . ASN 930 930 50722 2 . ILE 931 931 50722 2 . TRP 932 932 50722 2 . LEU 933 933 50722 2 . LEU 934 934 50722 2 . GLY 935 935 50722 2 . SER 936 936 50722 2 . ILE 937 937 50722 2 . CYS 938 938 50722 2 . LEU 939 939 50722 2 . SER 940 940 50722 2 . MET 941 941 50722 2 . SER 942 942 50722 2 . LEU 943 943 50722 2 . HIS 944 944 50722 2 . PHE 945 945 50722 2 . LEU 946 946 50722 2 . ILE 947 947 50722 2 . LEU 948 948 50722 2 . TYR 949 949 50722 2 . VAL 950 950 50722 2 . ASP 951 951 50722 2 . PRO 952 952 50722 2 . LEU 953 953 50722 2 . PRO 954 954 50722 2 . MET 955 955 50722 2 . ILE 956 956 50722 2 . PHE 957 957 50722 2 . LYS 958 958 50722 2 . LEU 959 959 50722 2 . LYS 960 960 50722 2 . ALA 961 961 50722 2 . LEU 962 962 50722 2 . ASP 963 963 50722 2 . LEU 964 964 50722 2 . THR 965 965 50722 2 . GLN 966 966 50722 2 . TRP 967 967 50722 2 . LEU 968 968 50722 2 . MET 969 969 50722 2 . VAL 970 970 50722 2 . LEU 971 971 50722 2 . LYS 972 972 50722 2 . ILE 973 973 50722 2 . SER 974 974 50722 2 . LEU 975 975 50722 2 . PRO 976 976 50722 2 . VAL 977 977 50722 2 . ILE 978 978 50722 2 . GLY 979 979 50722 2 . LEU 980 980 50722 2 . ASP 981 981 50722 2 . GLU 982 982 50722 2 . ILE 983 983 50722 2 . LEU 984 984 50722 2 . LYS 985 985 50722 2 . PHE 986 986 50722 2 . ILE 987 987 50722 2 . ALA 988 988 50722 2 . ARG 989 989 50722 2 . ASN 990 990 50722 2 . TYR 991 991 50722 2 . LEU 992 992 50722 2 . GLU 993 993 50722 2 . ASP 994 994 50722 2 . PRO 995 995 50722 2 . GLU 996 996 50722 2 . ASP 997 997 50722 2 . GLU 998 998 50722 2 . ARG 999 999 50722 2 . ARG 1000 1000 50722 2 . LYS 1001 1001 50722 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50722 _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 . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . 50722 1 2 2 $entity_2 . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . 50722 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 50722 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pMal-c2x . . . 50722 1 2 2 $entity_2 . 'purified from the natural source' . . . . . . . . . plasmid . . . . . . 50722 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 50722 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _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 PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _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 1BX6 _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 BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 50722 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 50722 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50722 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 50722 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 50722 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 50722 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 50722 SEP 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 '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50722 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 50722 SEP 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 N N N N . N . . N 0 . . . 1 N N . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 50722 SEP CA CA CA CA . C . . S 0 . . . 1 N N . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 50722 SEP CB CB CB CB . C . . N 0 . . . 1 N N . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 50722 SEP OG OG OG OG . O . . N 0 . . . 1 N N . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 50722 SEP C C C C . C . . N 0 . . . 1 N N . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 50722 SEP O O O O . O . . N 0 . . . 1 N N . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 50722 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 50722 SEP P P P P . P . . N 0 . . . 1 N N . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 50722 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 50722 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 50722 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 50722 SEP H H H H . H . . N 0 . . . 1 N N . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 50722 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 50722 SEP HA HA HA HA . H . . N 0 . . . 1 N N . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 50722 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 50722 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 50722 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 50722 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 50722 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 50722 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 50722 SEP 2 . SING N H N N 2 . 50722 SEP 3 . SING N H2 N N 3 . 50722 SEP 4 . SING CA CB N N 4 . 50722 SEP 5 . SING CA C N N 5 . 50722 SEP 6 . SING CA HA N N 6 . 50722 SEP 7 . SING CB OG N N 7 . 50722 SEP 8 . SING CB HB2 N N 8 . 50722 SEP 9 . SING CB HB3 N N 9 . 50722 SEP 10 . SING OG P N N 10 . 50722 SEP 11 . DOUB C O N N 11 . 50722 SEP 12 . SING C OXT N N 12 . 50722 SEP 13 . SING OXT HXT N N 13 . 50722 SEP 14 . DOUB P O1P N N 14 . 50722 SEP 15 . SING P O2P N N 15 . 50722 SEP 16 . SING P O3P N N 16 . 50722 SEP 17 . SING O2P HOP2 N N 17 . 50722 SEP 18 . SING O3P HOP3 N N 18 . 50722 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50722 _Sample.ID 1 _Sample.Name 'Monomeric Ser16-phosphorylated phospholamban in complex with SERCA in oriented bicelles (calcium-free E2 state)' _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'Flipped blicelles (q = 4)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system H2O _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 'Ser16-phosphorylated phospholamban (pPLN-AFA)' [U-15N] . . 1 $entity_1 . . 0.21 . . mM . . . . 50722 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50722 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50722 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 50722 1 5 glycerol 'natural abundance' . . . . . . 2.5 . . % . . . . 50722 1 6 '1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC)' 'natural abundance' . . . . . . 340 . . mM . . . . 50722 1 7 '1-palmitoyl-2-oleoyl-glycero-3-phosphocholine (POPC)' 'natural abundance' . . . . . . 85 . . mM . . . . 50722 1 8 '1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC)' 'natural abundance' . . . . . . 106 . . mM . . . . 50722 1 9 '1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (PE-DTPA)' 'natural abundance' . . . . . . 6.4 . . mM . . . . 50722 1 10 'Ytterbium(III) chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 50722 1 11 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (SERCA1a)' 'natural abundance' . . 2 $entity_2 . . 0.23 . . mM . . . . 50722 1 12 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50722 1 13 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 50722 1 14 "ethylene glycol-bis(b-aminoethyl ether)-N,N,N',N'-tetraacetic acid (EGTA)" 'natural abundance' . . . . . . 4 . . mM . . . . 50722 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 50722 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Phospholamban in complex with SERCA' _Sample_condition_list.Details 'Monomeric phospholamban reconstituted with SERCA in bicelles.' 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 pH 7 . pH 50722 1 pressure 1 . atm 50722 1 temperature 298.15 . K 50722 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50722 _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 . 50722 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50722 _Software.ID 2 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50722 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50722 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50722 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50722 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian VNMRS - 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50722 _Experiment_list.ID 1 _Experiment_list.Details 'Orientated 15N chemical shift correlations with 15N-1H dipolar couplings.' 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 NH SLF' yes . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50722 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D NH SLF' sample5_ps16-afa-serca-e2_rawdata.zip . 'NMR experiment directory' . . 50722 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 50722 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 15N _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 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 39.3 external direct 1 . . . . . 50722 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 50722 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pS16-PLN-AFA with SERCA (E2) 15N Shifts' _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 'Anisotropic chemical shifts and dipolar couplings (Hz) measured using a PISEMA-like experiment (SE-SAMPI4).' _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 NH SLF' . . . 50722 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 3 $software_3 . . 50722 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 32 32 LEU N N 15 164.286 5 . . . . . . . 31 LEU N . 50722 1 2 . 1 . 1 33 33 PHE N N 15 187.621 5 . . . . . . . 32 PHE N . 50722 1 3 . 1 . 1 36 36 PHE N N 15 179.137 5 . . . . . . . 35 PHE N . 50722 1 4 . 1 . 1 37 37 ALA N N 15 190.978 5 . . . . . . . 36 ALA N . 50722 1 5 . 1 . 1 38 38 LEU N N 15 146.139 5 . . . . . . . 37 LEU N . 50722 1 6 . 1 . 1 39 39 ILE N N 15 160.492 5 . . . . . . . 38 ILE N . 50722 1 7 . 1 . 1 40 40 LEU N N 15 194.418 5 . . . . . . . 39 LEU N . 50722 1 8 . 1 . 1 41 41 ILE N N 15 171.454 5 . . . . . . . 40 ILE N . 50722 1 9 . 1 . 1 42 42 PHE N N 15 149.993 5 . . . . . . . 41 PHE N . 50722 1 10 . 1 . 1 43 43 LEU N N 15 179.137 5 . . . . . . . 42 LEU N . 50722 1 11 . 1 . 1 44 44 LEU N N 15 198.238 5 . . . . . . . 43 LEU N . 50722 1 12 . 1 . 1 45 45 LEU N N 15 155.494 5 . . . . . . . 44 LEU N . 50722 1 13 . 1 . 1 46 46 ILE N N 15 160.337 5 . . . . . . . 45 ILE N . 50722 1 14 . 1 . 1 47 47 ALA N N 15 191.414 5 . . . . . . . 46 ALA N . 50722 1 15 . 1 . 1 48 48 ILE N N 15 181.841 5 . . . . . . . 47 ILE N . 50722 1 16 . 1 . 1 49 49 ILE N N 15 154.287 5 . . . . . . . 48 ILE N . 50722 1 17 . 1 . 1 51 51 MET N N 15 198.238 5 . . . . . . . 50 MET N . 50722 1 stop_ save_ ################################ # Dipolar coupling constants # ################################ save_dipolar_couplings_1 _Dipolar_coupling_list.Sf_category dipolar_couplings _Dipolar_coupling_list.Sf_framecode dipolar_couplings_1 _Dipolar_coupling_list.Entry_ID 50722 _Dipolar_coupling_list.ID 1 _Dipolar_coupling_list.Name 'pS16-PLN-AFA with SERCA (E2) 15N-1H Dipolar Couplings' _Dipolar_coupling_list.Sample_condition_list_ID 1 _Dipolar_coupling_list.Sample_condition_list_label $sample_conditions_1 _Dipolar_coupling_list.Spectrometer_frequency_1H 700 _Dipolar_coupling_list.Scaling_factor . _Dipolar_coupling_list.Fitting_procedure . _Dipolar_coupling_list.Details 'Anisotropic chemical shifts and dipolar couplings (Hz) measured using a PISEMA-like experiment (SE-SAMPI4).' _Dipolar_coupling_list.Text_data_format . _Dipolar_coupling_list.Text_data . loop_ _Dipolar_coupling_experiment.Experiment_ID _Dipolar_coupling_experiment.Experiment_name _Dipolar_coupling_experiment.Sample_ID _Dipolar_coupling_experiment.Sample_label _Dipolar_coupling_experiment.Sample_state _Dipolar_coupling_experiment.Entry_ID _Dipolar_coupling_experiment.Dipolar_coupling_list_ID 1 '2D NH SLF' . . . 50722 1 stop_ loop_ _Dipolar_coupling_software.Software_ID _Dipolar_coupling_software.Software_label _Dipolar_coupling_software.Method_ID _Dipolar_coupling_software.Method_label _Dipolar_coupling_software.Entry_ID _Dipolar_coupling_software.Dipolar_coupling_list_ID 3 $software_3 . . 50722 1 stop_ loop_ _Dipolar_coupling.ID _Dipolar_coupling.Dipolar_coupling_code _Dipolar_coupling.Assembly_atom_ID_1 _Dipolar_coupling.Entity_assembly_ID_1 _Dipolar_coupling.Entity_ID_1 _Dipolar_coupling.Comp_index_ID_1 _Dipolar_coupling.Seq_ID_1 _Dipolar_coupling.Comp_ID_1 _Dipolar_coupling.Atom_ID_1 _Dipolar_coupling.Atom_type_1 _Dipolar_coupling.Atom_isotope_number_1 _Dipolar_coupling.Ambiguity_code_1 _Dipolar_coupling.Assembly_atom_ID_2 _Dipolar_coupling.Entity_assembly_ID_2 _Dipolar_coupling.Entity_ID_2 _Dipolar_coupling.Comp_index_ID_2 _Dipolar_coupling.Seq_ID_2 _Dipolar_coupling.Comp_ID_2 _Dipolar_coupling.Atom_ID_2 _Dipolar_coupling.Atom_type_2 _Dipolar_coupling.Atom_isotope_number_2 _Dipolar_coupling.Ambiguity_code_2 _Dipolar_coupling.Val _Dipolar_coupling.Val_min _Dipolar_coupling.Val_max _Dipolar_coupling.Val_err _Dipolar_coupling.Principal_Euler_angle_alpha_val _Dipolar_coupling.Principal_Euler_angle_beta_val _Dipolar_coupling.Principal_Euler_angle_gamma_val _Dipolar_coupling.Resonance_ID_1 _Dipolar_coupling.Resonance_ID_2 _Dipolar_coupling.Auth_entity_assembly_ID_1 _Dipolar_coupling.Auth_seq_ID_1 _Dipolar_coupling.Auth_comp_ID_1 _Dipolar_coupling.Auth_atom_ID_1 _Dipolar_coupling.Auth_entity_assembly_ID_2 _Dipolar_coupling.Auth_seq_ID_2 _Dipolar_coupling.Auth_comp_ID_2 _Dipolar_coupling.Auth_atom_ID_2 _Dipolar_coupling.Entry_ID _Dipolar_coupling.Dipolar_coupling_list_ID 1 . . 1 1 32 32 LEU N N 15 . . 1 1 32 32 LEU H H 1 . 1264 . . 500 . . . . . . 31 LEU N . 31 LEU H 50722 1 2 . . 1 1 33 33 PHE N N 15 . . 1 1 33 33 PHE H H 1 . 4070 . . 500 . . . . . . 32 PHE N . 32 PHE H 50722 1 3 . . 1 1 36 36 PHE N N 15 . . 1 1 36 36 PHE H H 1 . 2859 . . 500 . . . . . . 35 PHE N . 35 PHE H 50722 1 4 . . 1 1 37 37 ALA N N 15 . . 1 1 37 37 ALA H H 1 . 6368 . . 500 . . . . . . 36 ALA N . 36 ALA H 50722 1 5 . . 1 1 38 38 LEU N N 15 . . 1 1 38 38 LEU H H 1 . 6618 . . 500 . . . . . . 37 LEU N . 37 LEU H 50722 1 6 . . 1 1 39 39 ILE N N 15 . . 1 1 39 39 ILE H H 1 . 2388 . . 500 . . . . . . 38 ILE N . 38 ILE H 50722 1 7 . . 1 1 40 40 LEU N N 15 . . 1 1 40 40 LEU H H 1 . 3990 . . 500 . . . . . . 39 LEU N . 39 LEU H 50722 1 8 . . 1 1 41 41 ILE N N 15 . . 1 1 41 41 ILE H H 1 . 6872 . . 500 . . . . . . 40 ILE N . 40 ILE H 50722 1 9 . . 1 1 42 42 PHE N N 15 . . 1 1 42 42 PHE H H 1 . 4455 . . 500 . . . . . . 41 PHE N . 41 PHE H 50722 1 10 . . 1 1 43 43 LEU N N 15 . . 1 1 43 43 LEU H H 1 . 2859 . . 500 . . . . . . 42 LEU N . 42 LEU H 50722 1 11 . . 1 1 44 44 LEU N N 15 . . 1 1 44 44 LEU H H 1 . 5782 . . 500 . . . . . . 43 LEU N . 43 LEU H 50722 1 12 . . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU H H 1 . 6261 . . 500 . . . . . . 44 LEU N . 44 LEU H 50722 1 13 . . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . 2668 . . 500 . . . . . . 45 ILE N . 45 ILE H 50722 1 14 . . 1 1 47 47 ALA N N 15 . . 1 1 47 47 ALA H H 1 . 2840 . . 500 . . . . . . 46 ALA N . 46 ALA H 50722 1 15 . . 1 1 48 48 ILE N N 15 . . 1 1 48 48 ILE H H 1 . 7228 . . 500 . . . . . . 47 ILE N . 47 ILE H 50722 1 16 . . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . 6030 . . 500 . . . . . . 48 ILE N . 48 ILE H 50722 1 17 . . 1 1 51 51 MET N N 15 . . 1 1 51 51 MET H H 1 . 5350 . . 500 . . . . . . 50 MET N . 50 MET H 50722 1 stop_ save_