data_50723 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50723 _Entry.Title ; Phosphorylated phospholamban bound to SERCA in oriented bicelles (calcium-bound E1 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 50723 2 Maximo Sanz-Hernandez . . . 0000-0001-8522-8730 50723 3 'Venkateswara Reddy' Uddigiri . . . . 50723 4 Songlin Wang . . . 0000-0002-7588-7377 50723 5 Erik Larsen . K. . . 50723 6 Tata Gopinath . . . . 50723 7 Martin Gustavsson . . . 0000-0002-3015-2043 50723 8 Razvan Cornea . . . 0000-0001-5739-0992 50723 9 David Thomas . D. . . 50723 10 Alfonso 'De Simone' . . . 0000-0001-8789-9546 50723 11 Gianluigi Veglia . . . 0000-0002-2795-6964 50723 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50723 dipolar_couplings 1 50723 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 12 50723 'dipolar coupling values' 12 50723 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 . 50723 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' 50723 BMRB 50719 'Monomeric phosphorylated phospholamban in oriented bicelles' 50723 BMRB 50720 'Phospholamban bound to SERCA in oriented bicelles (calcium-free E2 state)' 50723 BMRB 50721 'Phospholamban bound to SERCA in oriented bicelles (calcium-bound E1 state)' 50723 BMRB 50722 'Phosphorylated phospholamban bound to SERCA in oriented bicelles (calcium-free E2 state)' 50723 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50723 _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. . . 50723 1 2 'U Venkateswara' Reddy U. V. . . 50723 1 3 Songlin Wang S. . . . 50723 1 4 Erik Larsen E. K. . . 50723 1 5 Tata Gopinath T. . . . 50723 1 6 Martin Gustavsson M. B. . . 50723 1 7 Razvan Cornea R. L. . . 50723 1 8 David Thomas D. D. . . 50723 1 9 Alfonso 'De Simone' A. . . . 50723 1 10 Gianluigi Veglia G. . . . 50723 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50723 _Assembly.ID 1 _Assembly.Name 'Phosphorylated phospholamban bound to SERCA (calcium-bound E1 state)' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _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 . . . 50723 1 2 SERCA 2 $entity_2 . . no native no no . . . 50723 1 3 'CA, ion' 3 $entity_CA . . no native no no . . . 50723 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 . . . . . . 50723 1 yes UNP P61015 . . . . . . 50723 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50723 _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 . . . . . . . . . . . . . . . . 50723 1 2 yes PDB 2KB7 . . . . . . . . . . . . . . . . 50723 1 3 yes PDB 2LPF . . . . . . . . . . . . . . . . 50723 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 . 50723 1 2 1 MET . 50723 1 3 2 GLU . 50723 1 4 3 LYS . 50723 1 5 4 VAL . 50723 1 6 5 GLN . 50723 1 7 6 TYR . 50723 1 8 7 LEU . 50723 1 9 8 THR . 50723 1 10 9 ARG . 50723 1 11 10 SER . 50723 1 12 11 ALA . 50723 1 13 12 ILE . 50723 1 14 13 ARG . 50723 1 15 14 ARG . 50723 1 16 15 ALA . 50723 1 17 16 SEP . 50723 1 18 17 THR . 50723 1 19 18 ILE . 50723 1 20 19 GLU . 50723 1 21 20 MET . 50723 1 22 21 PRO . 50723 1 23 22 GLN . 50723 1 24 23 GLN . 50723 1 25 24 ALA . 50723 1 26 25 ARG . 50723 1 27 26 GLN . 50723 1 28 27 ASN . 50723 1 29 28 LEU . 50723 1 30 29 GLN . 50723 1 31 30 ASN . 50723 1 32 31 LEU . 50723 1 33 32 PHE . 50723 1 34 33 ILE . 50723 1 35 34 ASN . 50723 1 36 35 PHE . 50723 1 37 36 ALA . 50723 1 38 37 LEU . 50723 1 39 38 ILE . 50723 1 40 39 LEU . 50723 1 41 40 ILE . 50723 1 42 41 PHE . 50723 1 43 42 LEU . 50723 1 44 43 LEU . 50723 1 45 44 LEU . 50723 1 46 45 ILE . 50723 1 47 46 ALA . 50723 1 48 47 ILE . 50723 1 49 48 ILE . 50723 1 50 49 VAL . 50723 1 51 50 MET . 50723 1 52 51 LEU . 50723 1 53 52 LEU . 50723 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 50723 1 . MET 2 2 50723 1 . GLU 3 3 50723 1 . LYS 4 4 50723 1 . VAL 5 5 50723 1 . GLN 6 6 50723 1 . TYR 7 7 50723 1 . LEU 8 8 50723 1 . THR 9 9 50723 1 . ARG 10 10 50723 1 . SER 11 11 50723 1 . ALA 12 12 50723 1 . ILE 13 13 50723 1 . ARG 14 14 50723 1 . ARG 15 15 50723 1 . ALA 16 16 50723 1 . SEP 17 17 50723 1 . THR 18 18 50723 1 . ILE 19 19 50723 1 . GLU 20 20 50723 1 . MET 21 21 50723 1 . PRO 22 22 50723 1 . GLN 23 23 50723 1 . GLN 24 24 50723 1 . ALA 25 25 50723 1 . ARG 26 26 50723 1 . GLN 27 27 50723 1 . ASN 28 28 50723 1 . LEU 29 29 50723 1 . GLN 30 30 50723 1 . ASN 31 31 50723 1 . LEU 32 32 50723 1 . PHE 33 33 50723 1 . ILE 34 34 50723 1 . ASN 35 35 50723 1 . PHE 36 36 50723 1 . ALA 37 37 50723 1 . LEU 38 38 50723 1 . ILE 39 39 50723 1 . LEU 40 40 50723 1 . ILE 41 41 50723 1 . PHE 42 42 50723 1 . LEU 43 43 50723 1 . LEU 44 44 50723 1 . LEU 45 45 50723 1 . ILE 46 46 50723 1 . ALA 47 47 50723 1 . ILE 48 48 50723 1 . ILE 49 49 50723 1 . VAL 50 50 50723 1 . MET 51 51 50723 1 . LEU 52 52 50723 1 . LEU 53 53 50723 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50723 _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 . . . . . . . . . . . . . . . . 50723 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 . 50723 2 2 . GLU . 50723 2 3 . ALA . 50723 2 4 . ALA . 50723 2 5 . HIS . 50723 2 6 . SER . 50723 2 7 . LYS . 50723 2 8 . SER . 50723 2 9 . THR . 50723 2 10 . GLU . 50723 2 11 . GLU . 50723 2 12 . CYS . 50723 2 13 . LEU . 50723 2 14 . ALA . 50723 2 15 . TYR . 50723 2 16 . PHE . 50723 2 17 . GLY . 50723 2 18 . VAL . 50723 2 19 . SER . 50723 2 20 . GLU . 50723 2 21 . THR . 50723 2 22 . THR . 50723 2 23 . GLY . 50723 2 24 . LEU . 50723 2 25 . THR . 50723 2 26 . PRO . 50723 2 27 . ASP . 50723 2 28 . GLN . 50723 2 29 . VAL . 50723 2 30 . LYS . 50723 2 31 . ARG . 50723 2 32 . HIS . 50723 2 33 . LEU . 50723 2 34 . GLU . 50723 2 35 . LYS . 50723 2 36 . TYR . 50723 2 37 . GLY . 50723 2 38 . HIS . 50723 2 39 . ASN . 50723 2 40 . GLU . 50723 2 41 . LEU . 50723 2 42 . PRO . 50723 2 43 . ALA . 50723 2 44 . GLU . 50723 2 45 . GLU . 50723 2 46 . GLY . 50723 2 47 . LYS . 50723 2 48 . SER . 50723 2 49 . LEU . 50723 2 50 . TRP . 50723 2 51 . GLU . 50723 2 52 . LEU . 50723 2 53 . VAL . 50723 2 54 . ILE . 50723 2 55 . GLU . 50723 2 56 . GLN . 50723 2 57 . PHE . 50723 2 58 . GLU . 50723 2 59 . ASP . 50723 2 60 . LEU . 50723 2 61 . LEU . 50723 2 62 . VAL . 50723 2 63 . ARG . 50723 2 64 . ILE . 50723 2 65 . LEU . 50723 2 66 . LEU . 50723 2 67 . LEU . 50723 2 68 . ALA . 50723 2 69 . ALA . 50723 2 70 . CYS . 50723 2 71 . ILE . 50723 2 72 . SER . 50723 2 73 . PHE . 50723 2 74 . VAL . 50723 2 75 . LEU . 50723 2 76 . ALA . 50723 2 77 . TRP . 50723 2 78 . PHE . 50723 2 79 . GLU . 50723 2 80 . GLU . 50723 2 81 . GLY . 50723 2 82 . GLU . 50723 2 83 . GLU . 50723 2 84 . THR . 50723 2 85 . ILE . 50723 2 86 . THR . 50723 2 87 . ALA . 50723 2 88 . PHE . 50723 2 89 . VAL . 50723 2 90 . GLU . 50723 2 91 . PRO . 50723 2 92 . PHE . 50723 2 93 . VAL . 50723 2 94 . ILE . 50723 2 95 . LEU . 50723 2 96 . LEU . 50723 2 97 . ILE . 50723 2 98 . LEU . 50723 2 99 . ILE . 50723 2 100 . ALA . 50723 2 101 . ASN . 50723 2 102 . ALA . 50723 2 103 . ILE . 50723 2 104 . VAL . 50723 2 105 . GLY . 50723 2 106 . VAL . 50723 2 107 . TRP . 50723 2 108 . GLN . 50723 2 109 . GLU . 50723 2 110 . ARG . 50723 2 111 . ASN . 50723 2 112 . ALA . 50723 2 113 . GLU . 50723 2 114 . ASN . 50723 2 115 . ALA . 50723 2 116 . ILE . 50723 2 117 . GLU . 50723 2 118 . ALA . 50723 2 119 . LEU . 50723 2 120 . LYS . 50723 2 121 . GLU . 50723 2 122 . TYR . 50723 2 123 . GLU . 50723 2 124 . PRO . 50723 2 125 . GLU . 50723 2 126 . MET . 50723 2 127 . GLY . 50723 2 128 . LYS . 50723 2 129 . VAL . 50723 2 130 . TYR . 50723 2 131 . ARG . 50723 2 132 . ALA . 50723 2 133 . ASP . 50723 2 134 . ARG . 50723 2 135 . LYS . 50723 2 136 . SER . 50723 2 137 . VAL . 50723 2 138 . GLN . 50723 2 139 . ARG . 50723 2 140 . ILE . 50723 2 141 . LYS . 50723 2 142 . ALA . 50723 2 143 . ARG . 50723 2 144 . ASP . 50723 2 145 . ILE . 50723 2 146 . VAL . 50723 2 147 . PRO . 50723 2 148 . GLY . 50723 2 149 . ASP . 50723 2 150 . ILE . 50723 2 151 . VAL . 50723 2 152 . GLU . 50723 2 153 . VAL . 50723 2 154 . ALA . 50723 2 155 . VAL . 50723 2 156 . GLY . 50723 2 157 . ASP . 50723 2 158 . LYS . 50723 2 159 . VAL . 50723 2 160 . PRO . 50723 2 161 . ALA . 50723 2 162 . ASP . 50723 2 163 . ILE . 50723 2 164 . ARG . 50723 2 165 . ILE . 50723 2 166 . LEU . 50723 2 167 . SER . 50723 2 168 . ILE . 50723 2 169 . LYS . 50723 2 170 . SER . 50723 2 171 . THR . 50723 2 172 . THR . 50723 2 173 . LEU . 50723 2 174 . ARG . 50723 2 175 . VAL . 50723 2 176 . ASP . 50723 2 177 . GLN . 50723 2 178 . SER . 50723 2 179 . ILE . 50723 2 180 . LEU . 50723 2 181 . THR . 50723 2 182 . GLY . 50723 2 183 . GLU . 50723 2 184 . SER . 50723 2 185 . VAL . 50723 2 186 . SER . 50723 2 187 . VAL . 50723 2 188 . ILE . 50723 2 189 . LYS . 50723 2 190 . HIS . 50723 2 191 . THR . 50723 2 192 . GLU . 50723 2 193 . PRO . 50723 2 194 . VAL . 50723 2 195 . PRO . 50723 2 196 . ASP . 50723 2 197 . PRO . 50723 2 198 . ARG . 50723 2 199 . ALA . 50723 2 200 . VAL . 50723 2 201 . ASN . 50723 2 202 . GLN . 50723 2 203 . ASP . 50723 2 204 . LYS . 50723 2 205 . LYS . 50723 2 206 . ASN . 50723 2 207 . MET . 50723 2 208 . LEU . 50723 2 209 . PHE . 50723 2 210 . SER . 50723 2 211 . GLY . 50723 2 212 . THR . 50723 2 213 . ASN . 50723 2 214 . ILE . 50723 2 215 . ALA . 50723 2 216 . ALA . 50723 2 217 . GLY . 50723 2 218 . LYS . 50723 2 219 . ALA . 50723 2 220 . LEU . 50723 2 221 . GLY . 50723 2 222 . ILE . 50723 2 223 . VAL . 50723 2 224 . ALA . 50723 2 225 . THR . 50723 2 226 . THR . 50723 2 227 . GLY . 50723 2 228 . VAL . 50723 2 229 . SER . 50723 2 230 . THR . 50723 2 231 . GLU . 50723 2 232 . ILE . 50723 2 233 . GLY . 50723 2 234 . LYS . 50723 2 235 . ILE . 50723 2 236 . ARG . 50723 2 237 . ASP . 50723 2 238 . GLN . 50723 2 239 . MET . 50723 2 240 . ALA . 50723 2 241 . ALA . 50723 2 242 . THR . 50723 2 243 . GLU . 50723 2 244 . GLN . 50723 2 245 . ASP . 50723 2 246 . LYS . 50723 2 247 . THR . 50723 2 248 . PRO . 50723 2 249 . LEU . 50723 2 250 . GLN . 50723 2 251 . GLN . 50723 2 252 . LYS . 50723 2 253 . LEU . 50723 2 254 . ASP . 50723 2 255 . GLU . 50723 2 256 . PHE . 50723 2 257 . GLY . 50723 2 258 . GLU . 50723 2 259 . GLN . 50723 2 260 . LEU . 50723 2 261 . SER . 50723 2 262 . LYS . 50723 2 263 . VAL . 50723 2 264 . ILE . 50723 2 265 . SER . 50723 2 266 . LEU . 50723 2 267 . ILE . 50723 2 268 . CYS . 50723 2 269 . VAL . 50723 2 270 . ALA . 50723 2 271 . VAL . 50723 2 272 . TRP . 50723 2 273 . LEU . 50723 2 274 . ILE . 50723 2 275 . ASN . 50723 2 276 . ILE . 50723 2 277 . GLY . 50723 2 278 . HIS . 50723 2 279 . PHE . 50723 2 280 . ASN . 50723 2 281 . ASP . 50723 2 282 . PRO . 50723 2 283 . VAL . 50723 2 284 . HIS . 50723 2 285 . GLY . 50723 2 286 . GLY . 50723 2 287 . SER . 50723 2 288 . TRP . 50723 2 289 . ILE . 50723 2 290 . ARG . 50723 2 291 . GLY . 50723 2 292 . ALA . 50723 2 293 . ILE . 50723 2 294 . TYR . 50723 2 295 . TYR . 50723 2 296 . PHE . 50723 2 297 . LYS . 50723 2 298 . ILE . 50723 2 299 . ALA . 50723 2 300 . VAL . 50723 2 301 . ALA . 50723 2 302 . LEU . 50723 2 303 . ALA . 50723 2 304 . VAL . 50723 2 305 . ALA . 50723 2 306 . ALA . 50723 2 307 . ILE . 50723 2 308 . PRO . 50723 2 309 . GLU . 50723 2 310 . GLY . 50723 2 311 . LEU . 50723 2 312 . PRO . 50723 2 313 . ALA . 50723 2 314 . VAL . 50723 2 315 . ILE . 50723 2 316 . THR . 50723 2 317 . THR . 50723 2 318 . CYS . 50723 2 319 . LEU . 50723 2 320 . ALA . 50723 2 321 . LEU . 50723 2 322 . GLY . 50723 2 323 . THR . 50723 2 324 . ARG . 50723 2 325 . ARG . 50723 2 326 . MET . 50723 2 327 . ALA . 50723 2 328 . LYS . 50723 2 329 . LYS . 50723 2 330 . ASN . 50723 2 331 . ALA . 50723 2 332 . ILE . 50723 2 333 . VAL . 50723 2 334 . ARG . 50723 2 335 . SER . 50723 2 336 . LEU . 50723 2 337 . PRO . 50723 2 338 . SER . 50723 2 339 . VAL . 50723 2 340 . GLU . 50723 2 341 . THR . 50723 2 342 . LEU . 50723 2 343 . GLY . 50723 2 344 . CYS . 50723 2 345 . THR . 50723 2 346 . SER . 50723 2 347 . VAL . 50723 2 348 . ILE . 50723 2 349 . CYS . 50723 2 350 . SER . 50723 2 351 . ASP . 50723 2 352 . LYS . 50723 2 353 . THR . 50723 2 354 . GLY . 50723 2 355 . THR . 50723 2 356 . LEU . 50723 2 357 . THR . 50723 2 358 . THR . 50723 2 359 . ASN . 50723 2 360 . GLN . 50723 2 361 . MET . 50723 2 362 . SER . 50723 2 363 . VAL . 50723 2 364 . CYS . 50723 2 365 . LYS . 50723 2 366 . MET . 50723 2 367 . PHE . 50723 2 368 . ILE . 50723 2 369 . ILE . 50723 2 370 . ASP . 50723 2 371 . LYS . 50723 2 372 . VAL . 50723 2 373 . ASP . 50723 2 374 . GLY . 50723 2 375 . ASP . 50723 2 376 . PHE . 50723 2 377 . CYS . 50723 2 378 . SER . 50723 2 379 . LEU . 50723 2 380 . ASN . 50723 2 381 . GLU . 50723 2 382 . PHE . 50723 2 383 . SER . 50723 2 384 . ILE . 50723 2 385 . THR . 50723 2 386 . GLY . 50723 2 387 . SER . 50723 2 388 . THR . 50723 2 389 . TYR . 50723 2 390 . ALA . 50723 2 391 . PRO . 50723 2 392 . GLU . 50723 2 393 . GLY . 50723 2 394 . GLU . 50723 2 395 . VAL . 50723 2 396 . LEU . 50723 2 397 . LYS . 50723 2 398 . ASN . 50723 2 399 . ASP . 50723 2 400 . LYS . 50723 2 401 . PRO . 50723 2 402 . ILE . 50723 2 403 . ARG . 50723 2 404 . SER . 50723 2 405 . GLY . 50723 2 406 . GLN . 50723 2 407 . PHE . 50723 2 408 . ASP . 50723 2 409 . GLY . 50723 2 410 . LEU . 50723 2 411 . VAL . 50723 2 412 . GLU . 50723 2 413 . LEU . 50723 2 414 . ALA . 50723 2 415 . THR . 50723 2 416 . ILE . 50723 2 417 . CYS . 50723 2 418 . ALA . 50723 2 419 . LEU . 50723 2 420 . CYS . 50723 2 421 . ASN . 50723 2 422 . ASP . 50723 2 423 . SER . 50723 2 424 . SER . 50723 2 425 . LEU . 50723 2 426 . ASP . 50723 2 427 . PHE . 50723 2 428 . ASN . 50723 2 429 . GLU . 50723 2 430 . THR . 50723 2 431 . LYS . 50723 2 432 . GLY . 50723 2 433 . VAL . 50723 2 434 . TYR . 50723 2 435 . GLU . 50723 2 436 . LYS . 50723 2 437 . VAL . 50723 2 438 . GLY . 50723 2 439 . GLU . 50723 2 440 . ALA . 50723 2 441 . THR . 50723 2 442 . GLU . 50723 2 443 . THR . 50723 2 444 . ALA . 50723 2 445 . LEU . 50723 2 446 . THR . 50723 2 447 . THR . 50723 2 448 . LEU . 50723 2 449 . VAL . 50723 2 450 . GLU . 50723 2 451 . LYS . 50723 2 452 . MET . 50723 2 453 . ASN . 50723 2 454 . VAL . 50723 2 455 . PHE . 50723 2 456 . ASN . 50723 2 457 . THR . 50723 2 458 . GLU . 50723 2 459 . VAL . 50723 2 460 . ARG . 50723 2 461 . ASN . 50723 2 462 . LEU . 50723 2 463 . SER . 50723 2 464 . LYS . 50723 2 465 . VAL . 50723 2 466 . GLU . 50723 2 467 . ARG . 50723 2 468 . ALA . 50723 2 469 . ASN . 50723 2 470 . ALA . 50723 2 471 . CYS . 50723 2 472 . ASN . 50723 2 473 . SER . 50723 2 474 . VAL . 50723 2 475 . ILE . 50723 2 476 . ARG . 50723 2 477 . GLN . 50723 2 478 . LEU . 50723 2 479 . MET . 50723 2 480 . LYS . 50723 2 481 . LYS . 50723 2 482 . GLU . 50723 2 483 . PHE . 50723 2 484 . THR . 50723 2 485 . LEU . 50723 2 486 . GLU . 50723 2 487 . PHE . 50723 2 488 . SER . 50723 2 489 . ARG . 50723 2 490 . ASP . 50723 2 491 . ARG . 50723 2 492 . LYS . 50723 2 493 . SER . 50723 2 494 . MET . 50723 2 495 . SER . 50723 2 496 . VAL . 50723 2 497 . TYR . 50723 2 498 . CYS . 50723 2 499 . SER . 50723 2 500 . PRO . 50723 2 501 . ALA . 50723 2 502 . LYS . 50723 2 503 . SER . 50723 2 504 . SER . 50723 2 505 . ARG . 50723 2 506 . ALA . 50723 2 507 . ALA . 50723 2 508 . VAL . 50723 2 509 . GLY . 50723 2 510 . ASN . 50723 2 511 . LYS . 50723 2 512 . MET . 50723 2 513 . PHE . 50723 2 514 . VAL . 50723 2 515 . LYS . 50723 2 516 . GLY . 50723 2 517 . ALA . 50723 2 518 . PRO . 50723 2 519 . GLU . 50723 2 520 . GLY . 50723 2 521 . VAL . 50723 2 522 . ILE . 50723 2 523 . ASP . 50723 2 524 . ARG . 50723 2 525 . CYS . 50723 2 526 . ASN . 50723 2 527 . TYR . 50723 2 528 . VAL . 50723 2 529 . ARG . 50723 2 530 . VAL . 50723 2 531 . GLY . 50723 2 532 . THR . 50723 2 533 . THR . 50723 2 534 . ARG . 50723 2 535 . VAL . 50723 2 536 . PRO . 50723 2 537 . MET . 50723 2 538 . THR . 50723 2 539 . GLY . 50723 2 540 . PRO . 50723 2 541 . VAL . 50723 2 542 . LYS . 50723 2 543 . GLU . 50723 2 544 . LYS . 50723 2 545 . ILE . 50723 2 546 . LEU . 50723 2 547 . SER . 50723 2 548 . VAL . 50723 2 549 . ILE . 50723 2 550 . LYS . 50723 2 551 . GLU . 50723 2 552 . TRP . 50723 2 553 . GLY . 50723 2 554 . THR . 50723 2 555 . GLY . 50723 2 556 . ARG . 50723 2 557 . ASP . 50723 2 558 . THR . 50723 2 559 . LEU . 50723 2 560 . ARG . 50723 2 561 . CYS . 50723 2 562 . LEU . 50723 2 563 . ALA . 50723 2 564 . LEU . 50723 2 565 . ALA . 50723 2 566 . THR . 50723 2 567 . ARG . 50723 2 568 . ASP . 50723 2 569 . THR . 50723 2 570 . PRO . 50723 2 571 . PRO . 50723 2 572 . LYS . 50723 2 573 . ARG . 50723 2 574 . GLU . 50723 2 575 . GLU . 50723 2 576 . MET . 50723 2 577 . VAL . 50723 2 578 . LEU . 50723 2 579 . ASP . 50723 2 580 . ASP . 50723 2 581 . SER . 50723 2 582 . SER . 50723 2 583 . ARG . 50723 2 584 . PHE . 50723 2 585 . MET . 50723 2 586 . GLU . 50723 2 587 . TYR . 50723 2 588 . GLU . 50723 2 589 . THR . 50723 2 590 . ASP . 50723 2 591 . LEU . 50723 2 592 . THR . 50723 2 593 . PHE . 50723 2 594 . VAL . 50723 2 595 . GLY . 50723 2 596 . VAL . 50723 2 597 . VAL . 50723 2 598 . GLY . 50723 2 599 . MET . 50723 2 600 . LEU . 50723 2 601 . ASP . 50723 2 602 . PRO . 50723 2 603 . PRO . 50723 2 604 . ARG . 50723 2 605 . LYS . 50723 2 606 . GLU . 50723 2 607 . VAL . 50723 2 608 . MET . 50723 2 609 . GLY . 50723 2 610 . SER . 50723 2 611 . ILE . 50723 2 612 . GLN . 50723 2 613 . LEU . 50723 2 614 . CYS . 50723 2 615 . ARG . 50723 2 616 . ASP . 50723 2 617 . ALA . 50723 2 618 . GLY . 50723 2 619 . ILE . 50723 2 620 . ARG . 50723 2 621 . VAL . 50723 2 622 . ILE . 50723 2 623 . MET . 50723 2 624 . ILE . 50723 2 625 . THR . 50723 2 626 . GLY . 50723 2 627 . ASP . 50723 2 628 . ASN . 50723 2 629 . LYS . 50723 2 630 . GLY . 50723 2 631 . THR . 50723 2 632 . ALA . 50723 2 633 . ILE . 50723 2 634 . ALA . 50723 2 635 . ILE . 50723 2 636 . CYS . 50723 2 637 . ARG . 50723 2 638 . ARG . 50723 2 639 . ILE . 50723 2 640 . GLY . 50723 2 641 . ILE . 50723 2 642 . PHE . 50723 2 643 . GLY . 50723 2 644 . GLU . 50723 2 645 . ASN . 50723 2 646 . GLU . 50723 2 647 . GLU . 50723 2 648 . VAL . 50723 2 649 . ALA . 50723 2 650 . ASP . 50723 2 651 . ARG . 50723 2 652 . ALA . 50723 2 653 . TYR . 50723 2 654 . THR . 50723 2 655 . GLY . 50723 2 656 . ARG . 50723 2 657 . GLU . 50723 2 658 . PHE . 50723 2 659 . ASP . 50723 2 660 . ASP . 50723 2 661 . LEU . 50723 2 662 . PRO . 50723 2 663 . LEU . 50723 2 664 . ALA . 50723 2 665 . GLU . 50723 2 666 . GLN . 50723 2 667 . ARG . 50723 2 668 . GLU . 50723 2 669 . ALA . 50723 2 670 . CYS . 50723 2 671 . ARG . 50723 2 672 . ARG . 50723 2 673 . ALA . 50723 2 674 . CYS . 50723 2 675 . CYS . 50723 2 676 . PHE . 50723 2 677 . ALA . 50723 2 678 . ARG . 50723 2 679 . VAL . 50723 2 680 . GLU . 50723 2 681 . PRO . 50723 2 682 . SER . 50723 2 683 . HIS . 50723 2 684 . LYS . 50723 2 685 . SER . 50723 2 686 . LYS . 50723 2 687 . ILE . 50723 2 688 . VAL . 50723 2 689 . GLU . 50723 2 690 . TYR . 50723 2 691 . LEU . 50723 2 692 . GLN . 50723 2 693 . SER . 50723 2 694 . TYR . 50723 2 695 . ASP . 50723 2 696 . GLU . 50723 2 697 . ILE . 50723 2 698 . THR . 50723 2 699 . ALA . 50723 2 700 . MET . 50723 2 701 . THR . 50723 2 702 . GLY . 50723 2 703 . ASP . 50723 2 704 . GLY . 50723 2 705 . VAL . 50723 2 706 . ASN . 50723 2 707 . ASP . 50723 2 708 . ALA . 50723 2 709 . PRO . 50723 2 710 . ALA . 50723 2 711 . LEU . 50723 2 712 . LYS . 50723 2 713 . LYS . 50723 2 714 . ALA . 50723 2 715 . GLU . 50723 2 716 . ILE . 50723 2 717 . GLY . 50723 2 718 . ILE . 50723 2 719 . ALA . 50723 2 720 . MET . 50723 2 721 . GLY . 50723 2 722 . SER . 50723 2 723 . GLY . 50723 2 724 . THR . 50723 2 725 . ALA . 50723 2 726 . VAL . 50723 2 727 . ALA . 50723 2 728 . LYS . 50723 2 729 . THR . 50723 2 730 . ALA . 50723 2 731 . SER . 50723 2 732 . GLU . 50723 2 733 . MET . 50723 2 734 . VAL . 50723 2 735 . LEU . 50723 2 736 . ALA . 50723 2 737 . ASP . 50723 2 738 . ASP . 50723 2 739 . ASN . 50723 2 740 . PHE . 50723 2 741 . SER . 50723 2 742 . THR . 50723 2 743 . ILE . 50723 2 744 . VAL . 50723 2 745 . ALA . 50723 2 746 . ALA . 50723 2 747 . VAL . 50723 2 748 . GLU . 50723 2 749 . GLU . 50723 2 750 . GLY . 50723 2 751 . ARG . 50723 2 752 . ALA . 50723 2 753 . ILE . 50723 2 754 . TYR . 50723 2 755 . ASN . 50723 2 756 . ASN . 50723 2 757 . MET . 50723 2 758 . LYS . 50723 2 759 . GLN . 50723 2 760 . PHE . 50723 2 761 . ILE . 50723 2 762 . ARG . 50723 2 763 . TYR . 50723 2 764 . LEU . 50723 2 765 . ILE . 50723 2 766 . SER . 50723 2 767 . SER . 50723 2 768 . ASN . 50723 2 769 . VAL . 50723 2 770 . GLY . 50723 2 771 . GLU . 50723 2 772 . VAL . 50723 2 773 . VAL . 50723 2 774 . CYS . 50723 2 775 . ILE . 50723 2 776 . PHE . 50723 2 777 . LEU . 50723 2 778 . THR . 50723 2 779 . ALA . 50723 2 780 . ALA . 50723 2 781 . LEU . 50723 2 782 . GLY . 50723 2 783 . LEU . 50723 2 784 . PRO . 50723 2 785 . GLU . 50723 2 786 . ALA . 50723 2 787 . LEU . 50723 2 788 . ILE . 50723 2 789 . PRO . 50723 2 790 . VAL . 50723 2 791 . GLN . 50723 2 792 . LEU . 50723 2 793 . LEU . 50723 2 794 . TRP . 50723 2 795 . VAL . 50723 2 796 . ASN . 50723 2 797 . LEU . 50723 2 798 . VAL . 50723 2 799 . THR . 50723 2 800 . ASP . 50723 2 801 . GLY . 50723 2 802 . LEU . 50723 2 803 . PRO . 50723 2 804 . ALA . 50723 2 805 . THR . 50723 2 806 . ALA . 50723 2 807 . LEU . 50723 2 808 . GLY . 50723 2 809 . PHE . 50723 2 810 . ASN . 50723 2 811 . PRO . 50723 2 812 . PRO . 50723 2 813 . ASP . 50723 2 814 . LEU . 50723 2 815 . ASP . 50723 2 816 . ILE . 50723 2 817 . MET . 50723 2 818 . ASP . 50723 2 819 . ARG . 50723 2 820 . PRO . 50723 2 821 . PRO . 50723 2 822 . ARG . 50723 2 823 . SER . 50723 2 824 . PRO . 50723 2 825 . LYS . 50723 2 826 . GLU . 50723 2 827 . PRO . 50723 2 828 . LEU . 50723 2 829 . ILE . 50723 2 830 . SER . 50723 2 831 . GLY . 50723 2 832 . TRP . 50723 2 833 . LEU . 50723 2 834 . PHE . 50723 2 835 . PHE . 50723 2 836 . ARG . 50723 2 837 . TYR . 50723 2 838 . MET . 50723 2 839 . ALA . 50723 2 840 . ILE . 50723 2 841 . GLY . 50723 2 842 . GLY . 50723 2 843 . TYR . 50723 2 844 . VAL . 50723 2 845 . GLY . 50723 2 846 . ALA . 50723 2 847 . ALA . 50723 2 848 . THR . 50723 2 849 . VAL . 50723 2 850 . GLY . 50723 2 851 . ALA . 50723 2 852 . ALA . 50723 2 853 . ALA . 50723 2 854 . TRP . 50723 2 855 . TRP . 50723 2 856 . PHE . 50723 2 857 . MET . 50723 2 858 . TYR . 50723 2 859 . ALA . 50723 2 860 . GLU . 50723 2 861 . ASP . 50723 2 862 . GLY . 50723 2 863 . PRO . 50723 2 864 . GLY . 50723 2 865 . VAL . 50723 2 866 . THR . 50723 2 867 . TYR . 50723 2 868 . HIS . 50723 2 869 . GLN . 50723 2 870 . LEU . 50723 2 871 . THR . 50723 2 872 . HIS . 50723 2 873 . PHE . 50723 2 874 . MET . 50723 2 875 . GLN . 50723 2 876 . CYS . 50723 2 877 . THR . 50723 2 878 . GLU . 50723 2 879 . ASP . 50723 2 880 . HIS . 50723 2 881 . PRO . 50723 2 882 . HIS . 50723 2 883 . PHE . 50723 2 884 . GLU . 50723 2 885 . GLY . 50723 2 886 . LEU . 50723 2 887 . ASP . 50723 2 888 . CYS . 50723 2 889 . GLU . 50723 2 890 . ILE . 50723 2 891 . PHE . 50723 2 892 . GLU . 50723 2 893 . ALA . 50723 2 894 . PRO . 50723 2 895 . GLU . 50723 2 896 . PRO . 50723 2 897 . MET . 50723 2 898 . THR . 50723 2 899 . MET . 50723 2 900 . ALA . 50723 2 901 . LEU . 50723 2 902 . SER . 50723 2 903 . VAL . 50723 2 904 . LEU . 50723 2 905 . VAL . 50723 2 906 . THR . 50723 2 907 . ILE . 50723 2 908 . GLU . 50723 2 909 . MET . 50723 2 910 . CYS . 50723 2 911 . ASN . 50723 2 912 . ALA . 50723 2 913 . LEU . 50723 2 914 . ASN . 50723 2 915 . SER . 50723 2 916 . LEU . 50723 2 917 . SER . 50723 2 918 . GLU . 50723 2 919 . ASN . 50723 2 920 . GLN . 50723 2 921 . SER . 50723 2 922 . LEU . 50723 2 923 . MET . 50723 2 924 . ARG . 50723 2 925 . MET . 50723 2 926 . PRO . 50723 2 927 . PRO . 50723 2 928 . TRP . 50723 2 929 . VAL . 50723 2 930 . ASN . 50723 2 931 . ILE . 50723 2 932 . TRP . 50723 2 933 . LEU . 50723 2 934 . LEU . 50723 2 935 . GLY . 50723 2 936 . SER . 50723 2 937 . ILE . 50723 2 938 . CYS . 50723 2 939 . LEU . 50723 2 940 . SER . 50723 2 941 . MET . 50723 2 942 . SER . 50723 2 943 . LEU . 50723 2 944 . HIS . 50723 2 945 . PHE . 50723 2 946 . LEU . 50723 2 947 . ILE . 50723 2 948 . LEU . 50723 2 949 . TYR . 50723 2 950 . VAL . 50723 2 951 . ASP . 50723 2 952 . PRO . 50723 2 953 . LEU . 50723 2 954 . PRO . 50723 2 955 . MET . 50723 2 956 . ILE . 50723 2 957 . PHE . 50723 2 958 . LYS . 50723 2 959 . LEU . 50723 2 960 . LYS . 50723 2 961 . ALA . 50723 2 962 . LEU . 50723 2 963 . ASP . 50723 2 964 . LEU . 50723 2 965 . THR . 50723 2 966 . GLN . 50723 2 967 . TRP . 50723 2 968 . LEU . 50723 2 969 . MET . 50723 2 970 . VAL . 50723 2 971 . LEU . 50723 2 972 . LYS . 50723 2 973 . ILE . 50723 2 974 . SER . 50723 2 975 . LEU . 50723 2 976 . PRO . 50723 2 977 . VAL . 50723 2 978 . ILE . 50723 2 979 . GLY . 50723 2 980 . LEU . 50723 2 981 . ASP . 50723 2 982 . GLU . 50723 2 983 . ILE . 50723 2 984 . LEU . 50723 2 985 . LYS . 50723 2 986 . PHE . 50723 2 987 . ILE . 50723 2 988 . ALA . 50723 2 989 . ARG . 50723 2 990 . ASN . 50723 2 991 . TYR . 50723 2 992 . LEU . 50723 2 993 . GLU . 50723 2 994 . ASP . 50723 2 995 . PRO . 50723 2 996 . GLU . 50723 2 997 . ASP . 50723 2 998 . GLU . 50723 2 999 . ARG . 50723 2 1000 . ARG . 50723 2 1001 . LYS . 50723 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 50723 2 . GLU 2 2 50723 2 . ALA 3 3 50723 2 . ALA 4 4 50723 2 . HIS 5 5 50723 2 . SER 6 6 50723 2 . LYS 7 7 50723 2 . SER 8 8 50723 2 . THR 9 9 50723 2 . GLU 10 10 50723 2 . GLU 11 11 50723 2 . CYS 12 12 50723 2 . LEU 13 13 50723 2 . ALA 14 14 50723 2 . TYR 15 15 50723 2 . PHE 16 16 50723 2 . GLY 17 17 50723 2 . VAL 18 18 50723 2 . SER 19 19 50723 2 . GLU 20 20 50723 2 . THR 21 21 50723 2 . THR 22 22 50723 2 . GLY 23 23 50723 2 . LEU 24 24 50723 2 . THR 25 25 50723 2 . PRO 26 26 50723 2 . ASP 27 27 50723 2 . GLN 28 28 50723 2 . VAL 29 29 50723 2 . LYS 30 30 50723 2 . ARG 31 31 50723 2 . HIS 32 32 50723 2 . LEU 33 33 50723 2 . GLU 34 34 50723 2 . LYS 35 35 50723 2 . TYR 36 36 50723 2 . GLY 37 37 50723 2 . HIS 38 38 50723 2 . ASN 39 39 50723 2 . GLU 40 40 50723 2 . LEU 41 41 50723 2 . PRO 42 42 50723 2 . ALA 43 43 50723 2 . GLU 44 44 50723 2 . GLU 45 45 50723 2 . GLY 46 46 50723 2 . LYS 47 47 50723 2 . SER 48 48 50723 2 . LEU 49 49 50723 2 . TRP 50 50 50723 2 . GLU 51 51 50723 2 . LEU 52 52 50723 2 . VAL 53 53 50723 2 . ILE 54 54 50723 2 . GLU 55 55 50723 2 . GLN 56 56 50723 2 . PHE 57 57 50723 2 . GLU 58 58 50723 2 . ASP 59 59 50723 2 . LEU 60 60 50723 2 . LEU 61 61 50723 2 . VAL 62 62 50723 2 . ARG 63 63 50723 2 . ILE 64 64 50723 2 . LEU 65 65 50723 2 . LEU 66 66 50723 2 . LEU 67 67 50723 2 . ALA 68 68 50723 2 . ALA 69 69 50723 2 . CYS 70 70 50723 2 . ILE 71 71 50723 2 . SER 72 72 50723 2 . PHE 73 73 50723 2 . VAL 74 74 50723 2 . LEU 75 75 50723 2 . ALA 76 76 50723 2 . TRP 77 77 50723 2 . PHE 78 78 50723 2 . GLU 79 79 50723 2 . GLU 80 80 50723 2 . GLY 81 81 50723 2 . GLU 82 82 50723 2 . GLU 83 83 50723 2 . THR 84 84 50723 2 . ILE 85 85 50723 2 . THR 86 86 50723 2 . ALA 87 87 50723 2 . PHE 88 88 50723 2 . VAL 89 89 50723 2 . GLU 90 90 50723 2 . PRO 91 91 50723 2 . PHE 92 92 50723 2 . VAL 93 93 50723 2 . ILE 94 94 50723 2 . LEU 95 95 50723 2 . LEU 96 96 50723 2 . ILE 97 97 50723 2 . LEU 98 98 50723 2 . ILE 99 99 50723 2 . ALA 100 100 50723 2 . ASN 101 101 50723 2 . ALA 102 102 50723 2 . ILE 103 103 50723 2 . VAL 104 104 50723 2 . GLY 105 105 50723 2 . VAL 106 106 50723 2 . TRP 107 107 50723 2 . GLN 108 108 50723 2 . GLU 109 109 50723 2 . ARG 110 110 50723 2 . ASN 111 111 50723 2 . ALA 112 112 50723 2 . GLU 113 113 50723 2 . ASN 114 114 50723 2 . ALA 115 115 50723 2 . ILE 116 116 50723 2 . GLU 117 117 50723 2 . ALA 118 118 50723 2 . LEU 119 119 50723 2 . LYS 120 120 50723 2 . GLU 121 121 50723 2 . TYR 122 122 50723 2 . GLU 123 123 50723 2 . PRO 124 124 50723 2 . GLU 125 125 50723 2 . MET 126 126 50723 2 . GLY 127 127 50723 2 . LYS 128 128 50723 2 . VAL 129 129 50723 2 . TYR 130 130 50723 2 . ARG 131 131 50723 2 . ALA 132 132 50723 2 . ASP 133 133 50723 2 . ARG 134 134 50723 2 . LYS 135 135 50723 2 . SER 136 136 50723 2 . VAL 137 137 50723 2 . GLN 138 138 50723 2 . ARG 139 139 50723 2 . ILE 140 140 50723 2 . LYS 141 141 50723 2 . ALA 142 142 50723 2 . ARG 143 143 50723 2 . ASP 144 144 50723 2 . ILE 145 145 50723 2 . VAL 146 146 50723 2 . PRO 147 147 50723 2 . GLY 148 148 50723 2 . ASP 149 149 50723 2 . ILE 150 150 50723 2 . VAL 151 151 50723 2 . GLU 152 152 50723 2 . VAL 153 153 50723 2 . ALA 154 154 50723 2 . VAL 155 155 50723 2 . GLY 156 156 50723 2 . ASP 157 157 50723 2 . LYS 158 158 50723 2 . VAL 159 159 50723 2 . PRO 160 160 50723 2 . ALA 161 161 50723 2 . ASP 162 162 50723 2 . ILE 163 163 50723 2 . ARG 164 164 50723 2 . ILE 165 165 50723 2 . LEU 166 166 50723 2 . SER 167 167 50723 2 . ILE 168 168 50723 2 . LYS 169 169 50723 2 . SER 170 170 50723 2 . THR 171 171 50723 2 . THR 172 172 50723 2 . LEU 173 173 50723 2 . ARG 174 174 50723 2 . VAL 175 175 50723 2 . ASP 176 176 50723 2 . GLN 177 177 50723 2 . SER 178 178 50723 2 . ILE 179 179 50723 2 . LEU 180 180 50723 2 . THR 181 181 50723 2 . GLY 182 182 50723 2 . GLU 183 183 50723 2 . SER 184 184 50723 2 . VAL 185 185 50723 2 . SER 186 186 50723 2 . VAL 187 187 50723 2 . ILE 188 188 50723 2 . LYS 189 189 50723 2 . HIS 190 190 50723 2 . THR 191 191 50723 2 . GLU 192 192 50723 2 . PRO 193 193 50723 2 . VAL 194 194 50723 2 . PRO 195 195 50723 2 . ASP 196 196 50723 2 . PRO 197 197 50723 2 . ARG 198 198 50723 2 . ALA 199 199 50723 2 . VAL 200 200 50723 2 . ASN 201 201 50723 2 . GLN 202 202 50723 2 . ASP 203 203 50723 2 . LYS 204 204 50723 2 . LYS 205 205 50723 2 . ASN 206 206 50723 2 . MET 207 207 50723 2 . LEU 208 208 50723 2 . PHE 209 209 50723 2 . SER 210 210 50723 2 . GLY 211 211 50723 2 . THR 212 212 50723 2 . ASN 213 213 50723 2 . ILE 214 214 50723 2 . ALA 215 215 50723 2 . ALA 216 216 50723 2 . GLY 217 217 50723 2 . LYS 218 218 50723 2 . ALA 219 219 50723 2 . LEU 220 220 50723 2 . GLY 221 221 50723 2 . ILE 222 222 50723 2 . VAL 223 223 50723 2 . ALA 224 224 50723 2 . THR 225 225 50723 2 . THR 226 226 50723 2 . GLY 227 227 50723 2 . VAL 228 228 50723 2 . SER 229 229 50723 2 . THR 230 230 50723 2 . GLU 231 231 50723 2 . ILE 232 232 50723 2 . GLY 233 233 50723 2 . LYS 234 234 50723 2 . ILE 235 235 50723 2 . ARG 236 236 50723 2 . ASP 237 237 50723 2 . GLN 238 238 50723 2 . MET 239 239 50723 2 . ALA 240 240 50723 2 . ALA 241 241 50723 2 . THR 242 242 50723 2 . GLU 243 243 50723 2 . GLN 244 244 50723 2 . ASP 245 245 50723 2 . LYS 246 246 50723 2 . THR 247 247 50723 2 . PRO 248 248 50723 2 . LEU 249 249 50723 2 . GLN 250 250 50723 2 . GLN 251 251 50723 2 . LYS 252 252 50723 2 . LEU 253 253 50723 2 . ASP 254 254 50723 2 . GLU 255 255 50723 2 . PHE 256 256 50723 2 . GLY 257 257 50723 2 . GLU 258 258 50723 2 . GLN 259 259 50723 2 . LEU 260 260 50723 2 . SER 261 261 50723 2 . LYS 262 262 50723 2 . VAL 263 263 50723 2 . ILE 264 264 50723 2 . SER 265 265 50723 2 . LEU 266 266 50723 2 . ILE 267 267 50723 2 . CYS 268 268 50723 2 . VAL 269 269 50723 2 . ALA 270 270 50723 2 . VAL 271 271 50723 2 . TRP 272 272 50723 2 . LEU 273 273 50723 2 . ILE 274 274 50723 2 . ASN 275 275 50723 2 . ILE 276 276 50723 2 . GLY 277 277 50723 2 . HIS 278 278 50723 2 . PHE 279 279 50723 2 . ASN 280 280 50723 2 . ASP 281 281 50723 2 . PRO 282 282 50723 2 . VAL 283 283 50723 2 . HIS 284 284 50723 2 . GLY 285 285 50723 2 . GLY 286 286 50723 2 . SER 287 287 50723 2 . TRP 288 288 50723 2 . ILE 289 289 50723 2 . ARG 290 290 50723 2 . GLY 291 291 50723 2 . ALA 292 292 50723 2 . ILE 293 293 50723 2 . TYR 294 294 50723 2 . TYR 295 295 50723 2 . PHE 296 296 50723 2 . LYS 297 297 50723 2 . ILE 298 298 50723 2 . ALA 299 299 50723 2 . VAL 300 300 50723 2 . ALA 301 301 50723 2 . LEU 302 302 50723 2 . ALA 303 303 50723 2 . VAL 304 304 50723 2 . ALA 305 305 50723 2 . ALA 306 306 50723 2 . ILE 307 307 50723 2 . PRO 308 308 50723 2 . GLU 309 309 50723 2 . GLY 310 310 50723 2 . LEU 311 311 50723 2 . PRO 312 312 50723 2 . ALA 313 313 50723 2 . VAL 314 314 50723 2 . ILE 315 315 50723 2 . THR 316 316 50723 2 . THR 317 317 50723 2 . CYS 318 318 50723 2 . LEU 319 319 50723 2 . ALA 320 320 50723 2 . LEU 321 321 50723 2 . GLY 322 322 50723 2 . THR 323 323 50723 2 . ARG 324 324 50723 2 . ARG 325 325 50723 2 . MET 326 326 50723 2 . ALA 327 327 50723 2 . LYS 328 328 50723 2 . LYS 329 329 50723 2 . ASN 330 330 50723 2 . ALA 331 331 50723 2 . ILE 332 332 50723 2 . VAL 333 333 50723 2 . ARG 334 334 50723 2 . SER 335 335 50723 2 . LEU 336 336 50723 2 . PRO 337 337 50723 2 . SER 338 338 50723 2 . VAL 339 339 50723 2 . GLU 340 340 50723 2 . THR 341 341 50723 2 . LEU 342 342 50723 2 . GLY 343 343 50723 2 . CYS 344 344 50723 2 . THR 345 345 50723 2 . SER 346 346 50723 2 . VAL 347 347 50723 2 . ILE 348 348 50723 2 . CYS 349 349 50723 2 . SER 350 350 50723 2 . ASP 351 351 50723 2 . LYS 352 352 50723 2 . THR 353 353 50723 2 . GLY 354 354 50723 2 . THR 355 355 50723 2 . LEU 356 356 50723 2 . THR 357 357 50723 2 . THR 358 358 50723 2 . ASN 359 359 50723 2 . GLN 360 360 50723 2 . MET 361 361 50723 2 . SER 362 362 50723 2 . VAL 363 363 50723 2 . CYS 364 364 50723 2 . LYS 365 365 50723 2 . MET 366 366 50723 2 . PHE 367 367 50723 2 . ILE 368 368 50723 2 . ILE 369 369 50723 2 . ASP 370 370 50723 2 . LYS 371 371 50723 2 . VAL 372 372 50723 2 . ASP 373 373 50723 2 . GLY 374 374 50723 2 . ASP 375 375 50723 2 . PHE 376 376 50723 2 . CYS 377 377 50723 2 . SER 378 378 50723 2 . LEU 379 379 50723 2 . ASN 380 380 50723 2 . GLU 381 381 50723 2 . PHE 382 382 50723 2 . SER 383 383 50723 2 . ILE 384 384 50723 2 . THR 385 385 50723 2 . GLY 386 386 50723 2 . SER 387 387 50723 2 . THR 388 388 50723 2 . TYR 389 389 50723 2 . ALA 390 390 50723 2 . PRO 391 391 50723 2 . GLU 392 392 50723 2 . GLY 393 393 50723 2 . GLU 394 394 50723 2 . VAL 395 395 50723 2 . LEU 396 396 50723 2 . LYS 397 397 50723 2 . ASN 398 398 50723 2 . ASP 399 399 50723 2 . LYS 400 400 50723 2 . PRO 401 401 50723 2 . ILE 402 402 50723 2 . ARG 403 403 50723 2 . SER 404 404 50723 2 . GLY 405 405 50723 2 . GLN 406 406 50723 2 . PHE 407 407 50723 2 . ASP 408 408 50723 2 . GLY 409 409 50723 2 . LEU 410 410 50723 2 . VAL 411 411 50723 2 . GLU 412 412 50723 2 . LEU 413 413 50723 2 . ALA 414 414 50723 2 . THR 415 415 50723 2 . ILE 416 416 50723 2 . CYS 417 417 50723 2 . ALA 418 418 50723 2 . LEU 419 419 50723 2 . CYS 420 420 50723 2 . ASN 421 421 50723 2 . ASP 422 422 50723 2 . SER 423 423 50723 2 . SER 424 424 50723 2 . LEU 425 425 50723 2 . ASP 426 426 50723 2 . PHE 427 427 50723 2 . ASN 428 428 50723 2 . GLU 429 429 50723 2 . THR 430 430 50723 2 . LYS 431 431 50723 2 . GLY 432 432 50723 2 . VAL 433 433 50723 2 . TYR 434 434 50723 2 . GLU 435 435 50723 2 . LYS 436 436 50723 2 . VAL 437 437 50723 2 . GLY 438 438 50723 2 . GLU 439 439 50723 2 . ALA 440 440 50723 2 . THR 441 441 50723 2 . GLU 442 442 50723 2 . THR 443 443 50723 2 . ALA 444 444 50723 2 . LEU 445 445 50723 2 . THR 446 446 50723 2 . THR 447 447 50723 2 . LEU 448 448 50723 2 . VAL 449 449 50723 2 . GLU 450 450 50723 2 . LYS 451 451 50723 2 . MET 452 452 50723 2 . ASN 453 453 50723 2 . VAL 454 454 50723 2 . PHE 455 455 50723 2 . ASN 456 456 50723 2 . THR 457 457 50723 2 . GLU 458 458 50723 2 . VAL 459 459 50723 2 . ARG 460 460 50723 2 . ASN 461 461 50723 2 . LEU 462 462 50723 2 . SER 463 463 50723 2 . LYS 464 464 50723 2 . VAL 465 465 50723 2 . GLU 466 466 50723 2 . ARG 467 467 50723 2 . ALA 468 468 50723 2 . ASN 469 469 50723 2 . ALA 470 470 50723 2 . CYS 471 471 50723 2 . ASN 472 472 50723 2 . SER 473 473 50723 2 . VAL 474 474 50723 2 . ILE 475 475 50723 2 . ARG 476 476 50723 2 . GLN 477 477 50723 2 . LEU 478 478 50723 2 . MET 479 479 50723 2 . LYS 480 480 50723 2 . LYS 481 481 50723 2 . GLU 482 482 50723 2 . PHE 483 483 50723 2 . THR 484 484 50723 2 . LEU 485 485 50723 2 . GLU 486 486 50723 2 . PHE 487 487 50723 2 . SER 488 488 50723 2 . ARG 489 489 50723 2 . ASP 490 490 50723 2 . ARG 491 491 50723 2 . LYS 492 492 50723 2 . SER 493 493 50723 2 . MET 494 494 50723 2 . SER 495 495 50723 2 . VAL 496 496 50723 2 . TYR 497 497 50723 2 . CYS 498 498 50723 2 . SER 499 499 50723 2 . PRO 500 500 50723 2 . ALA 501 501 50723 2 . LYS 502 502 50723 2 . SER 503 503 50723 2 . SER 504 504 50723 2 . ARG 505 505 50723 2 . ALA 506 506 50723 2 . ALA 507 507 50723 2 . VAL 508 508 50723 2 . GLY 509 509 50723 2 . ASN 510 510 50723 2 . LYS 511 511 50723 2 . MET 512 512 50723 2 . PHE 513 513 50723 2 . VAL 514 514 50723 2 . LYS 515 515 50723 2 . GLY 516 516 50723 2 . ALA 517 517 50723 2 . PRO 518 518 50723 2 . GLU 519 519 50723 2 . GLY 520 520 50723 2 . VAL 521 521 50723 2 . ILE 522 522 50723 2 . ASP 523 523 50723 2 . ARG 524 524 50723 2 . CYS 525 525 50723 2 . ASN 526 526 50723 2 . TYR 527 527 50723 2 . VAL 528 528 50723 2 . ARG 529 529 50723 2 . VAL 530 530 50723 2 . GLY 531 531 50723 2 . THR 532 532 50723 2 . THR 533 533 50723 2 . ARG 534 534 50723 2 . VAL 535 535 50723 2 . PRO 536 536 50723 2 . MET 537 537 50723 2 . THR 538 538 50723 2 . GLY 539 539 50723 2 . PRO 540 540 50723 2 . VAL 541 541 50723 2 . LYS 542 542 50723 2 . GLU 543 543 50723 2 . LYS 544 544 50723 2 . ILE 545 545 50723 2 . LEU 546 546 50723 2 . SER 547 547 50723 2 . VAL 548 548 50723 2 . ILE 549 549 50723 2 . LYS 550 550 50723 2 . GLU 551 551 50723 2 . TRP 552 552 50723 2 . GLY 553 553 50723 2 . THR 554 554 50723 2 . GLY 555 555 50723 2 . ARG 556 556 50723 2 . ASP 557 557 50723 2 . THR 558 558 50723 2 . LEU 559 559 50723 2 . ARG 560 560 50723 2 . CYS 561 561 50723 2 . LEU 562 562 50723 2 . ALA 563 563 50723 2 . LEU 564 564 50723 2 . ALA 565 565 50723 2 . THR 566 566 50723 2 . ARG 567 567 50723 2 . ASP 568 568 50723 2 . THR 569 569 50723 2 . PRO 570 570 50723 2 . PRO 571 571 50723 2 . LYS 572 572 50723 2 . ARG 573 573 50723 2 . GLU 574 574 50723 2 . GLU 575 575 50723 2 . MET 576 576 50723 2 . VAL 577 577 50723 2 . LEU 578 578 50723 2 . ASP 579 579 50723 2 . ASP 580 580 50723 2 . SER 581 581 50723 2 . SER 582 582 50723 2 . ARG 583 583 50723 2 . PHE 584 584 50723 2 . MET 585 585 50723 2 . GLU 586 586 50723 2 . TYR 587 587 50723 2 . GLU 588 588 50723 2 . THR 589 589 50723 2 . ASP 590 590 50723 2 . LEU 591 591 50723 2 . THR 592 592 50723 2 . PHE 593 593 50723 2 . VAL 594 594 50723 2 . GLY 595 595 50723 2 . VAL 596 596 50723 2 . VAL 597 597 50723 2 . GLY 598 598 50723 2 . MET 599 599 50723 2 . LEU 600 600 50723 2 . ASP 601 601 50723 2 . PRO 602 602 50723 2 . PRO 603 603 50723 2 . ARG 604 604 50723 2 . LYS 605 605 50723 2 . GLU 606 606 50723 2 . VAL 607 607 50723 2 . MET 608 608 50723 2 . GLY 609 609 50723 2 . SER 610 610 50723 2 . ILE 611 611 50723 2 . GLN 612 612 50723 2 . LEU 613 613 50723 2 . CYS 614 614 50723 2 . ARG 615 615 50723 2 . ASP 616 616 50723 2 . ALA 617 617 50723 2 . GLY 618 618 50723 2 . ILE 619 619 50723 2 . ARG 620 620 50723 2 . VAL 621 621 50723 2 . ILE 622 622 50723 2 . MET 623 623 50723 2 . ILE 624 624 50723 2 . THR 625 625 50723 2 . GLY 626 626 50723 2 . ASP 627 627 50723 2 . ASN 628 628 50723 2 . LYS 629 629 50723 2 . GLY 630 630 50723 2 . THR 631 631 50723 2 . ALA 632 632 50723 2 . ILE 633 633 50723 2 . ALA 634 634 50723 2 . ILE 635 635 50723 2 . CYS 636 636 50723 2 . ARG 637 637 50723 2 . ARG 638 638 50723 2 . ILE 639 639 50723 2 . GLY 640 640 50723 2 . ILE 641 641 50723 2 . PHE 642 642 50723 2 . GLY 643 643 50723 2 . GLU 644 644 50723 2 . ASN 645 645 50723 2 . GLU 646 646 50723 2 . GLU 647 647 50723 2 . VAL 648 648 50723 2 . ALA 649 649 50723 2 . ASP 650 650 50723 2 . ARG 651 651 50723 2 . ALA 652 652 50723 2 . TYR 653 653 50723 2 . THR 654 654 50723 2 . GLY 655 655 50723 2 . ARG 656 656 50723 2 . GLU 657 657 50723 2 . PHE 658 658 50723 2 . ASP 659 659 50723 2 . ASP 660 660 50723 2 . LEU 661 661 50723 2 . PRO 662 662 50723 2 . LEU 663 663 50723 2 . ALA 664 664 50723 2 . GLU 665 665 50723 2 . GLN 666 666 50723 2 . ARG 667 667 50723 2 . GLU 668 668 50723 2 . ALA 669 669 50723 2 . CYS 670 670 50723 2 . ARG 671 671 50723 2 . ARG 672 672 50723 2 . ALA 673 673 50723 2 . CYS 674 674 50723 2 . CYS 675 675 50723 2 . PHE 676 676 50723 2 . ALA 677 677 50723 2 . ARG 678 678 50723 2 . VAL 679 679 50723 2 . GLU 680 680 50723 2 . PRO 681 681 50723 2 . SER 682 682 50723 2 . HIS 683 683 50723 2 . LYS 684 684 50723 2 . SER 685 685 50723 2 . LYS 686 686 50723 2 . ILE 687 687 50723 2 . VAL 688 688 50723 2 . GLU 689 689 50723 2 . TYR 690 690 50723 2 . LEU 691 691 50723 2 . GLN 692 692 50723 2 . SER 693 693 50723 2 . TYR 694 694 50723 2 . ASP 695 695 50723 2 . GLU 696 696 50723 2 . ILE 697 697 50723 2 . THR 698 698 50723 2 . ALA 699 699 50723 2 . MET 700 700 50723 2 . THR 701 701 50723 2 . GLY 702 702 50723 2 . ASP 703 703 50723 2 . GLY 704 704 50723 2 . VAL 705 705 50723 2 . ASN 706 706 50723 2 . ASP 707 707 50723 2 . ALA 708 708 50723 2 . PRO 709 709 50723 2 . ALA 710 710 50723 2 . LEU 711 711 50723 2 . LYS 712 712 50723 2 . LYS 713 713 50723 2 . ALA 714 714 50723 2 . GLU 715 715 50723 2 . ILE 716 716 50723 2 . GLY 717 717 50723 2 . ILE 718 718 50723 2 . ALA 719 719 50723 2 . MET 720 720 50723 2 . GLY 721 721 50723 2 . SER 722 722 50723 2 . GLY 723 723 50723 2 . THR 724 724 50723 2 . ALA 725 725 50723 2 . VAL 726 726 50723 2 . ALA 727 727 50723 2 . LYS 728 728 50723 2 . THR 729 729 50723 2 . ALA 730 730 50723 2 . SER 731 731 50723 2 . GLU 732 732 50723 2 . MET 733 733 50723 2 . VAL 734 734 50723 2 . LEU 735 735 50723 2 . ALA 736 736 50723 2 . ASP 737 737 50723 2 . ASP 738 738 50723 2 . ASN 739 739 50723 2 . PHE 740 740 50723 2 . SER 741 741 50723 2 . THR 742 742 50723 2 . ILE 743 743 50723 2 . VAL 744 744 50723 2 . ALA 745 745 50723 2 . ALA 746 746 50723 2 . VAL 747 747 50723 2 . GLU 748 748 50723 2 . GLU 749 749 50723 2 . GLY 750 750 50723 2 . ARG 751 751 50723 2 . ALA 752 752 50723 2 . ILE 753 753 50723 2 . TYR 754 754 50723 2 . ASN 755 755 50723 2 . ASN 756 756 50723 2 . MET 757 757 50723 2 . LYS 758 758 50723 2 . GLN 759 759 50723 2 . PHE 760 760 50723 2 . ILE 761 761 50723 2 . ARG 762 762 50723 2 . TYR 763 763 50723 2 . LEU 764 764 50723 2 . ILE 765 765 50723 2 . SER 766 766 50723 2 . SER 767 767 50723 2 . ASN 768 768 50723 2 . VAL 769 769 50723 2 . GLY 770 770 50723 2 . GLU 771 771 50723 2 . VAL 772 772 50723 2 . VAL 773 773 50723 2 . CYS 774 774 50723 2 . ILE 775 775 50723 2 . PHE 776 776 50723 2 . LEU 777 777 50723 2 . THR 778 778 50723 2 . ALA 779 779 50723 2 . ALA 780 780 50723 2 . LEU 781 781 50723 2 . GLY 782 782 50723 2 . LEU 783 783 50723 2 . PRO 784 784 50723 2 . GLU 785 785 50723 2 . ALA 786 786 50723 2 . LEU 787 787 50723 2 . ILE 788 788 50723 2 . PRO 789 789 50723 2 . VAL 790 790 50723 2 . GLN 791 791 50723 2 . LEU 792 792 50723 2 . LEU 793 793 50723 2 . TRP 794 794 50723 2 . VAL 795 795 50723 2 . ASN 796 796 50723 2 . LEU 797 797 50723 2 . VAL 798 798 50723 2 . THR 799 799 50723 2 . ASP 800 800 50723 2 . GLY 801 801 50723 2 . LEU 802 802 50723 2 . PRO 803 803 50723 2 . ALA 804 804 50723 2 . THR 805 805 50723 2 . ALA 806 806 50723 2 . LEU 807 807 50723 2 . GLY 808 808 50723 2 . PHE 809 809 50723 2 . ASN 810 810 50723 2 . PRO 811 811 50723 2 . PRO 812 812 50723 2 . ASP 813 813 50723 2 . LEU 814 814 50723 2 . ASP 815 815 50723 2 . ILE 816 816 50723 2 . MET 817 817 50723 2 . ASP 818 818 50723 2 . ARG 819 819 50723 2 . PRO 820 820 50723 2 . PRO 821 821 50723 2 . ARG 822 822 50723 2 . SER 823 823 50723 2 . PRO 824 824 50723 2 . LYS 825 825 50723 2 . GLU 826 826 50723 2 . PRO 827 827 50723 2 . LEU 828 828 50723 2 . ILE 829 829 50723 2 . SER 830 830 50723 2 . GLY 831 831 50723 2 . TRP 832 832 50723 2 . LEU 833 833 50723 2 . PHE 834 834 50723 2 . PHE 835 835 50723 2 . ARG 836 836 50723 2 . TYR 837 837 50723 2 . MET 838 838 50723 2 . ALA 839 839 50723 2 . ILE 840 840 50723 2 . GLY 841 841 50723 2 . GLY 842 842 50723 2 . TYR 843 843 50723 2 . VAL 844 844 50723 2 . GLY 845 845 50723 2 . ALA 846 846 50723 2 . ALA 847 847 50723 2 . THR 848 848 50723 2 . VAL 849 849 50723 2 . GLY 850 850 50723 2 . ALA 851 851 50723 2 . ALA 852 852 50723 2 . ALA 853 853 50723 2 . TRP 854 854 50723 2 . TRP 855 855 50723 2 . PHE 856 856 50723 2 . MET 857 857 50723 2 . TYR 858 858 50723 2 . ALA 859 859 50723 2 . GLU 860 860 50723 2 . ASP 861 861 50723 2 . GLY 862 862 50723 2 . PRO 863 863 50723 2 . GLY 864 864 50723 2 . VAL 865 865 50723 2 . THR 866 866 50723 2 . TYR 867 867 50723 2 . HIS 868 868 50723 2 . GLN 869 869 50723 2 . LEU 870 870 50723 2 . THR 871 871 50723 2 . HIS 872 872 50723 2 . PHE 873 873 50723 2 . MET 874 874 50723 2 . GLN 875 875 50723 2 . CYS 876 876 50723 2 . THR 877 877 50723 2 . GLU 878 878 50723 2 . ASP 879 879 50723 2 . HIS 880 880 50723 2 . PRO 881 881 50723 2 . HIS 882 882 50723 2 . PHE 883 883 50723 2 . GLU 884 884 50723 2 . GLY 885 885 50723 2 . LEU 886 886 50723 2 . ASP 887 887 50723 2 . CYS 888 888 50723 2 . GLU 889 889 50723 2 . ILE 890 890 50723 2 . PHE 891 891 50723 2 . GLU 892 892 50723 2 . ALA 893 893 50723 2 . PRO 894 894 50723 2 . GLU 895 895 50723 2 . PRO 896 896 50723 2 . MET 897 897 50723 2 . THR 898 898 50723 2 . MET 899 899 50723 2 . ALA 900 900 50723 2 . LEU 901 901 50723 2 . SER 902 902 50723 2 . VAL 903 903 50723 2 . LEU 904 904 50723 2 . VAL 905 905 50723 2 . THR 906 906 50723 2 . ILE 907 907 50723 2 . GLU 908 908 50723 2 . MET 909 909 50723 2 . CYS 910 910 50723 2 . ASN 911 911 50723 2 . ALA 912 912 50723 2 . LEU 913 913 50723 2 . ASN 914 914 50723 2 . SER 915 915 50723 2 . LEU 916 916 50723 2 . SER 917 917 50723 2 . GLU 918 918 50723 2 . ASN 919 919 50723 2 . GLN 920 920 50723 2 . SER 921 921 50723 2 . LEU 922 922 50723 2 . MET 923 923 50723 2 . ARG 924 924 50723 2 . MET 925 925 50723 2 . PRO 926 926 50723 2 . PRO 927 927 50723 2 . TRP 928 928 50723 2 . VAL 929 929 50723 2 . ASN 930 930 50723 2 . ILE 931 931 50723 2 . TRP 932 932 50723 2 . LEU 933 933 50723 2 . LEU 934 934 50723 2 . GLY 935 935 50723 2 . SER 936 936 50723 2 . ILE 937 937 50723 2 . CYS 938 938 50723 2 . LEU 939 939 50723 2 . SER 940 940 50723 2 . MET 941 941 50723 2 . SER 942 942 50723 2 . LEU 943 943 50723 2 . HIS 944 944 50723 2 . PHE 945 945 50723 2 . LEU 946 946 50723 2 . ILE 947 947 50723 2 . LEU 948 948 50723 2 . TYR 949 949 50723 2 . VAL 950 950 50723 2 . ASP 951 951 50723 2 . PRO 952 952 50723 2 . LEU 953 953 50723 2 . PRO 954 954 50723 2 . MET 955 955 50723 2 . ILE 956 956 50723 2 . PHE 957 957 50723 2 . LYS 958 958 50723 2 . LEU 959 959 50723 2 . LYS 960 960 50723 2 . ALA 961 961 50723 2 . LEU 962 962 50723 2 . ASP 963 963 50723 2 . LEU 964 964 50723 2 . THR 965 965 50723 2 . GLN 966 966 50723 2 . TRP 967 967 50723 2 . LEU 968 968 50723 2 . MET 969 969 50723 2 . VAL 970 970 50723 2 . LEU 971 971 50723 2 . LYS 972 972 50723 2 . ILE 973 973 50723 2 . SER 974 974 50723 2 . LEU 975 975 50723 2 . PRO 976 976 50723 2 . VAL 977 977 50723 2 . ILE 978 978 50723 2 . GLY 979 979 50723 2 . LEU 980 980 50723 2 . ASP 981 981 50723 2 . GLU 982 982 50723 2 . ILE 983 983 50723 2 . LEU 984 984 50723 2 . LYS 985 985 50723 2 . PHE 986 986 50723 2 . ILE 987 987 50723 2 . ALA 988 988 50723 2 . ARG 989 989 50723 2 . ASN 990 990 50723 2 . TYR 991 991 50723 2 . LEU 992 992 50723 2 . GLU 993 993 50723 2 . ASP 994 994 50723 2 . PRO 995 995 50723 2 . GLU 996 996 50723 2 . ASP 997 997 50723 2 . GLU 998 998 50723 2 . ARG 999 999 50723 2 . ARG 1000 1000 50723 2 . LYS 1001 1001 50723 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 50723 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 50723 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 50723 3 CA 'Three letter code' 50723 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 50723 3 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 50723 _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 . . . . . . . . . . . . . 50723 1 2 2 $entity_2 . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . 50723 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 50723 _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 . . . 50723 1 2 2 $entity_2 . 'purified from the natural source' . . . . . . . . . plasmid . . . . . . 50723 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 50723 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 50723 CA InChI=1S/Ca/q+2 InChI InChI 1.03 50723 CA [Ca++] SMILES CACTVS 3.341 50723 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 50723 CA [Ca+2] SMILES ACDLabs 10.04 50723 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 50723 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50723 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 50723 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50723 CA 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 CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50723 CA stop_ save_ save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 50723 _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 50723 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 50723 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50723 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 50723 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 50723 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 50723 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 50723 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 50723 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 50723 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 . 50723 SEP CA CA CA CA . C . . S 0 . . . 1 N N . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 50723 SEP CB CB CB CB . C . . N 0 . . . 1 N N . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 50723 SEP OG OG OG OG . O . . N 0 . . . 1 N N . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 50723 SEP C C C C . C . . N 0 . . . 1 N N . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 50723 SEP O O O O . O . . N 0 . . . 1 N N . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 50723 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 50723 SEP P P P P . P . . N 0 . . . 1 N N . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 50723 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 50723 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 50723 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 50723 SEP H H H H . H . . N 0 . . . 1 N N . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 50723 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 50723 SEP HA HA HA HA . H . . N 0 . . . 1 N N . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 50723 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 50723 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 50723 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 50723 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 50723 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 50723 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 . 50723 SEP 2 . SING N H N N 2 . 50723 SEP 3 . SING N H2 N N 3 . 50723 SEP 4 . SING CA CB N N 4 . 50723 SEP 5 . SING CA C N N 5 . 50723 SEP 6 . SING CA HA N N 6 . 50723 SEP 7 . SING CB OG N N 7 . 50723 SEP 8 . SING CB HB2 N N 8 . 50723 SEP 9 . SING CB HB3 N N 9 . 50723 SEP 10 . SING OG P N N 10 . 50723 SEP 11 . DOUB C O N N 11 . 50723 SEP 12 . SING C OXT N N 12 . 50723 SEP 13 . SING OXT HXT N N 13 . 50723 SEP 14 . DOUB P O1P N N 14 . 50723 SEP 15 . SING P O2P N N 15 . 50723 SEP 16 . SING P O3P N N 16 . 50723 SEP 17 . SING O2P HOP2 N N 17 . 50723 SEP 18 . SING O3P HOP3 N N 18 . 50723 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50723 _Sample.ID 1 _Sample.Name 'Monomeric Ser16-phosphorylated phospholamban in complex with SERCA in oriented bicelles (calcium-bound E1 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 . . . . 50723 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50723 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50723 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 50723 1 5 glycerol 'natural abundance' . . . . . . 2.5 . . % . . . . 50723 1 6 '1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC)' 'natural abundance' . . . . . . 340 . . mM . . . . 50723 1 7 '1-palmitoyl-2-oleoyl-glycero-3-phosphocholine (POPC)' 'natural abundance' . . . . . . 85 . . mM . . . . 50723 1 8 '1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC)' 'natural abundance' . . . . . . 106 . . mM . . . . 50723 1 9 '1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (PE-DTPA)' 'natural abundance' . . . . . . 6.4 . . mM . . . . 50723 1 10 'Ytterbium(III) chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 50723 1 11 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (SERCA1a)' 'natural abundance' . . 2 $entity_2 . . 0.23 . . mM . . . . 50723 1 12 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50723 1 13 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 50723 1 14 'calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 50723 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 50723 _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 50723 1 pressure 1 . atm 50723 1 temperature 298.15 . K 50723 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50723 _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 . 50723 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50723 _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 . 50723 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50723 _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' . 50723 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 50723 _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 50723 _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 . . . . . . . . . . . . . . . . . 50723 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' sample6_ps16-afa-serca-e1_rawdata.zip . 'NMR experiment directory' . . 50723 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 50723 _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 . . . . . 50723 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 50723 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pS16-PLN-AFA with SERCA (E1) 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' . . . 50723 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 . . 50723 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 33 33 PHE N N 15 187.573 5 . . . . . . . 32 PHE N . 50723 1 2 . 1 . 1 37 37 ALA N N 15 192.695 5 . . . . . . . 36 ALA N . 50723 1 3 . 1 . 1 38 38 LEU N N 15 144.669 5 . . . . . . . 37 LEU N . 50723 1 4 . 1 . 1 40 40 LEU N N 15 199.806 5 . . . . . . . 39 LEU N . 50723 1 5 . 1 . 1 41 41 ILE N N 15 169.227 5 . . . . . . . 40 ILE N . 50723 1 6 . 1 . 1 42 42 PHE N N 15 147.7 5 . . . . . . . 41 PHE N . 50723 1 7 . 1 . 1 43 43 LEU N N 15 180.728 5 . . . . . . . 42 LEU N . 50723 1 8 . 1 . 1 45 45 LEU N N 15 155.088 5 . . . . . . . 44 LEU N . 50723 1 9 . 1 . 1 46 46 ILE N N 15 162.057 5 . . . . . . . 45 ILE N . 50723 1 10 . 1 . 1 48 48 ILE N N 15 182.11 5 . . . . . . . 47 ILE N . 50723 1 11 . 1 . 1 49 49 ILE N N 15 151.017 5 . . . . . . . 48 ILE N . 50723 1 12 . 1 . 1 51 51 MET N N 15 199.891 5 . . . . . . . 50 MET N . 50723 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 50723 _Dipolar_coupling_list.ID 1 _Dipolar_coupling_list.Name 'pS16-PLN-AFA with SERCA (E1) 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' . . . 50723 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 . . 50723 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 33 33 PHE N N 15 . . 1 1 33 33 PHE H H 1 . 4983 . . 500 . . . . . . 32 PHE N . 32 PHE H 50723 1 2 . . 1 1 37 37 ALA N N 15 . . 1 1 37 37 ALA H H 1 . 6790 . . 500 . . . . . . 36 ALA N . 36 ALA H 50723 1 3 . . 1 1 38 38 LEU N N 15 . . 1 1 38 38 LEU H H 1 . 5992 . . 500 . . . . . . 37 LEU N . 37 LEU H 50723 1 4 . . 1 1 40 40 LEU N N 15 . . 1 1 40 40 LEU H H 1 . 5387 . . 500 . . . . . . 39 LEU N . 39 LEU H 50723 1 5 . . 1 1 41 41 ILE N N 15 . . 1 1 41 41 ILE H H 1 . 7484 . . 500 . . . . . . 40 ILE N . 40 ILE H 50723 1 6 . . 1 1 42 42 PHE N N 15 . . 1 1 42 42 PHE H H 1 . 3979 . . 500 . . . . . . 41 PHE N . 41 PHE H 50723 1 7 . . 1 1 43 43 LEU N N 15 . . 1 1 43 43 LEU H H 1 . 3104 . . 500 . . . . . . 42 LEU N . 42 LEU H 50723 1 8 . . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU H H 1 . 6911 . . 500 . . . . . . 44 LEU N . 44 LEU H 50723 1 9 . . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . 3303 . . 500 . . . . . . 45 ILE N . 45 ILE H 50723 1 10 . . 1 1 48 48 ILE N N 15 . . 1 1 48 48 ILE H H 1 . 7970 . . 500 . . . . . . 47 ILE N . 47 ILE H 50723 1 11 . . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . 5364 . . 500 . . . . . . 48 ILE N . 48 ILE H 50723 1 12 . . 1 1 51 51 MET N N 15 . . 1 1 51 51 MET H H 1 . 5537 . . 500 . . . . . . 50 MET N . 50 MET H 50723 1 stop_ save_