data_52483 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52483 _Entry.Title ; Lip-tagged LRP6 1463-1538 (Y1517, Y1520, Y1522, F1525) > A quadruple mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-05-23 _Entry.Accession_date 2024-05-23 _Entry.Last_release_date 2024-05-23 _Entry.Original_release_date 2024-05-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Human LRP6 1463-1538 quadruple mutant (Y1517, Y1520, Y1522, F1525) > A, backbone resonance assignments at 293K' _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 Trevor Rutherford . J. . 0000-0001-7294-1668 52483 2 Tie-Mei Li . . . . 52483 3 Elsa Franco-Echevarria . . . 0000-0001-7306-6594 52483 4 Melissa Gammons . V. . 0000-0001-9661-9331 52483 5 Mariann Bienz . . . 0000-0002-7170-8706 52483 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Bienz group; MRC Laboratory of Molecular Biology' . 52483 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52483 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 199 52483 '15N chemical shifts' 68 52483 '1H chemical shifts' 129 52483 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-09-16 . original BMRB . 52483 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52482 'Axin1 308-426' 52483 BMRB 52493 'Lip-tagged LRP6 1539-1613' 52483 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52483 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40399324 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Wnt signalosome assembly is governed by conformational flexibility of Axin and by the AP2 clathrin adaptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4718 _Citation.Page_last 4718 _Citation.Year 2025 _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 Melissa Gammons . V. . . 52483 1 2 Elsa Franco-Echevarria . . . . 52483 1 3 Tie-Mei Li . . . . 52483 1 4 Trevor Rutherford . J. . . 52483 1 5 Miha Renko . . . . 52483 1 6 Christopher Batters . . . . 52483 1 7 Mariann Bienz . . . . 52483 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GSK3 inhibition, LRP6 co-receptor, Axin scaffold protein AP2-mu cargo adaptor, clathrin-coated structures Wnt signalosome' 52483 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52483 _Assembly.ID 1 _Assembly.Name Lip-L1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19296 _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 Lip-L1 1 $entity_1 . . yes native no no . . . 52483 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52483 _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 ; MHHHHHSGAFEFKLPDIGEG IHEGEIVKWFVKPDGEVNED DVLCEVQNDKAVVEIPSPVK GKVLEILVPEGTVATVGQTL ITLDAPGYENMTTGSDTGEN LYFQAHVTGASSSSSSSTKG TYFPAILNPPPSPATERSHY TMEFGYSSNSPSTHRSYSAR PASARHAAPPTTPCSTDVCD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1463-1538, with N-terminal Lipoyl solubility tag' _Entity.Polymer_author_seq_details 'Quadruple mutant; (Y1517, Y1520, Y1522, F1525) > 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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Lip-L1(YYYF>AAAA) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19296 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The construct used experimentally was a 76 amino acid polypeptide with a 104 amino acid lipoyl domain solubility tag attached to the N-terminus. Backbone resonance assignments are reported only for the 76 residues of the LRP6 L1 fragment: AHVTGASSSSSSSTKGTYFPAILNPPPSPATERSHYTMEFGYSSNSPSTHRSYSARPASARHAAPPTTPCSTDVCD The Lip tag sequence is: MHHHHHSGAFEFKLPDIGEGIHEGEIVKWFVKPDGEVNEDDVLCEVQNDKAVVEIPSPVKGKVLEILVPEGTVATVGQTLITLDAPGYENMTTGSDTGENLYFQ ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52483 1 2 . HIS . 52483 1 3 . HIS . 52483 1 4 . HIS . 52483 1 5 . HIS . 52483 1 6 . HIS . 52483 1 7 . SER . 52483 1 8 . GLY . 52483 1 9 . ALA . 52483 1 10 . PHE . 52483 1 11 . GLU . 52483 1 12 . PHE . 52483 1 13 . LYS . 52483 1 14 . LEU . 52483 1 15 . PRO . 52483 1 16 . ASP . 52483 1 17 . ILE . 52483 1 18 . GLY . 52483 1 19 . GLU . 52483 1 20 . GLY . 52483 1 21 . ILE . 52483 1 22 . HIS . 52483 1 23 . GLU . 52483 1 24 . GLY . 52483 1 25 . GLU . 52483 1 26 . ILE . 52483 1 27 . VAL . 52483 1 28 . LYS . 52483 1 29 . TRP . 52483 1 30 . PHE . 52483 1 31 . VAL . 52483 1 32 . LYS . 52483 1 33 . PRO . 52483 1 34 . ASP . 52483 1 35 . GLY . 52483 1 36 . GLU . 52483 1 37 . VAL . 52483 1 38 . ASN . 52483 1 39 . GLU . 52483 1 40 . ASP . 52483 1 41 . ASP . 52483 1 42 . VAL . 52483 1 43 . LEU . 52483 1 44 . CYS . 52483 1 45 . GLU . 52483 1 46 . VAL . 52483 1 47 . GLN . 52483 1 48 . ASN . 52483 1 49 . ASP . 52483 1 50 . LYS . 52483 1 51 . ALA . 52483 1 52 . VAL . 52483 1 53 . VAL . 52483 1 54 . GLU . 52483 1 55 . ILE . 52483 1 56 . PRO . 52483 1 57 . SER . 52483 1 58 . PRO . 52483 1 59 . VAL . 52483 1 60 . LYS . 52483 1 61 . GLY . 52483 1 62 . LYS . 52483 1 63 . VAL . 52483 1 64 . LEU . 52483 1 65 . GLU . 52483 1 66 . ILE . 52483 1 67 . LEU . 52483 1 68 . VAL . 52483 1 69 . PRO . 52483 1 70 . GLU . 52483 1 71 . GLY . 52483 1 72 . THR . 52483 1 73 . VAL . 52483 1 74 . ALA . 52483 1 75 . THR . 52483 1 76 . VAL . 52483 1 77 . GLY . 52483 1 78 . GLN . 52483 1 79 . THR . 52483 1 80 . LEU . 52483 1 81 . ILE . 52483 1 82 . THR . 52483 1 83 . LEU . 52483 1 84 . ASP . 52483 1 85 . ALA . 52483 1 86 . PRO . 52483 1 87 . GLY . 52483 1 88 . TYR . 52483 1 89 . GLU . 52483 1 90 . ASN . 52483 1 91 . MET . 52483 1 92 . THR . 52483 1 93 . THR . 52483 1 94 . GLY . 52483 1 95 . SER . 52483 1 96 . ASP . 52483 1 97 . THR . 52483 1 98 . GLY . 52483 1 99 . GLU . 52483 1 100 . ASN . 52483 1 101 . LEU . 52483 1 102 . TYR . 52483 1 103 . PHE . 52483 1 104 . GLN . 52483 1 105 1 ALA . 52483 1 106 2 HIS . 52483 1 107 3 VAL . 52483 1 108 4 THR . 52483 1 109 5 GLY . 52483 1 110 6 ALA . 52483 1 111 7 SER . 52483 1 112 8 SER . 52483 1 113 9 SER . 52483 1 114 10 SER . 52483 1 115 11 SER . 52483 1 116 12 SER . 52483 1 117 13 SER . 52483 1 118 14 THR . 52483 1 119 15 LYS . 52483 1 120 16 GLY . 52483 1 121 17 THR . 52483 1 122 18 TYR . 52483 1 123 19 PHE . 52483 1 124 20 PRO . 52483 1 125 21 ALA . 52483 1 126 22 ILE . 52483 1 127 23 LEU . 52483 1 128 24 ASN . 52483 1 129 25 PRO . 52483 1 130 26 PRO . 52483 1 131 27 PRO . 52483 1 132 28 SER . 52483 1 133 29 PRO . 52483 1 134 30 ALA . 52483 1 135 31 THR . 52483 1 136 32 GLU . 52483 1 137 33 ARG . 52483 1 138 34 SER . 52483 1 139 35 HIS . 52483 1 140 36 TYR . 52483 1 141 37 THR . 52483 1 142 38 MET . 52483 1 143 39 GLU . 52483 1 144 40 PHE . 52483 1 145 41 GLY . 52483 1 146 42 TYR . 52483 1 147 43 SER . 52483 1 148 44 SER . 52483 1 149 45 ASN . 52483 1 150 46 SER . 52483 1 151 47 PRO . 52483 1 152 48 SER . 52483 1 153 49 THR . 52483 1 154 50 HIS . 52483 1 155 51 ARG . 52483 1 156 52 SER . 52483 1 157 53 TYR . 52483 1 158 54 SER . 52483 1 159 55 ALA . 52483 1 160 56 ARG . 52483 1 161 57 PRO . 52483 1 162 58 ALA . 52483 1 163 59 SER . 52483 1 164 60 ALA . 52483 1 165 61 ARG . 52483 1 166 62 HIS . 52483 1 167 63 ALA . 52483 1 168 64 ALA . 52483 1 169 65 PRO . 52483 1 170 66 PRO . 52483 1 171 67 THR . 52483 1 172 68 THR . 52483 1 173 69 PRO . 52483 1 174 70 CYS . 52483 1 175 71 SER . 52483 1 176 72 THR . 52483 1 177 73 ASP . 52483 1 178 74 VAL . 52483 1 179 75 CYS . 52483 1 180 76 ASP . 52483 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 . MET 1 1 52483 1 . HIS 2 2 52483 1 . HIS 3 3 52483 1 . HIS 4 4 52483 1 . HIS 5 5 52483 1 . HIS 6 6 52483 1 . SER 7 7 52483 1 . GLY 8 8 52483 1 . ALA 9 9 52483 1 . PHE 10 10 52483 1 . GLU 11 11 52483 1 . PHE 12 12 52483 1 . LYS 13 13 52483 1 . LEU 14 14 52483 1 . PRO 15 15 52483 1 . ASP 16 16 52483 1 . ILE 17 17 52483 1 . GLY 18 18 52483 1 . GLU 19 19 52483 1 . GLY 20 20 52483 1 . ILE 21 21 52483 1 . HIS 22 22 52483 1 . GLU 23 23 52483 1 . GLY 24 24 52483 1 . GLU 25 25 52483 1 . ILE 26 26 52483 1 . VAL 27 27 52483 1 . LYS 28 28 52483 1 . TRP 29 29 52483 1 . PHE 30 30 52483 1 . VAL 31 31 52483 1 . LYS 32 32 52483 1 . PRO 33 33 52483 1 . ASP 34 34 52483 1 . GLY 35 35 52483 1 . GLU 36 36 52483 1 . VAL 37 37 52483 1 . ASN 38 38 52483 1 . GLU 39 39 52483 1 . ASP 40 40 52483 1 . ASP 41 41 52483 1 . VAL 42 42 52483 1 . LEU 43 43 52483 1 . CYS 44 44 52483 1 . GLU 45 45 52483 1 . VAL 46 46 52483 1 . GLN 47 47 52483 1 . ASN 48 48 52483 1 . ASP 49 49 52483 1 . LYS 50 50 52483 1 . ALA 51 51 52483 1 . VAL 52 52 52483 1 . VAL 53 53 52483 1 . GLU 54 54 52483 1 . ILE 55 55 52483 1 . PRO 56 56 52483 1 . SER 57 57 52483 1 . PRO 58 58 52483 1 . VAL 59 59 52483 1 . LYS 60 60 52483 1 . GLY 61 61 52483 1 . LYS 62 62 52483 1 . VAL 63 63 52483 1 . LEU 64 64 52483 1 . GLU 65 65 52483 1 . ILE 66 66 52483 1 . LEU 67 67 52483 1 . VAL 68 68 52483 1 . PRO 69 69 52483 1 . GLU 70 70 52483 1 . GLY 71 71 52483 1 . THR 72 72 52483 1 . VAL 73 73 52483 1 . ALA 74 74 52483 1 . THR 75 75 52483 1 . VAL 76 76 52483 1 . GLY 77 77 52483 1 . GLN 78 78 52483 1 . THR 79 79 52483 1 . LEU 80 80 52483 1 . ILE 81 81 52483 1 . THR 82 82 52483 1 . LEU 83 83 52483 1 . ASP 84 84 52483 1 . ALA 85 85 52483 1 . PRO 86 86 52483 1 . GLY 87 87 52483 1 . TYR 88 88 52483 1 . GLU 89 89 52483 1 . ASN 90 90 52483 1 . MET 91 91 52483 1 . THR 92 92 52483 1 . THR 93 93 52483 1 . GLY 94 94 52483 1 . SER 95 95 52483 1 . ASP 96 96 52483 1 . THR 97 97 52483 1 . GLY 98 98 52483 1 . GLU 99 99 52483 1 . ASN 100 100 52483 1 . LEU 101 101 52483 1 . TYR 102 102 52483 1 . PHE 103 103 52483 1 . GLN 104 104 52483 1 . ALA 105 105 52483 1 . HIS 106 106 52483 1 . VAL 107 107 52483 1 . THR 108 108 52483 1 . GLY 109 109 52483 1 . ALA 110 110 52483 1 . SER 111 111 52483 1 . SER 112 112 52483 1 . SER 113 113 52483 1 . SER 114 114 52483 1 . SER 115 115 52483 1 . SER 116 116 52483 1 . SER 117 117 52483 1 . THR 118 118 52483 1 . LYS 119 119 52483 1 . GLY 120 120 52483 1 . THR 121 121 52483 1 . TYR 122 122 52483 1 . PHE 123 123 52483 1 . PRO 124 124 52483 1 . ALA 125 125 52483 1 . ILE 126 126 52483 1 . LEU 127 127 52483 1 . ASN 128 128 52483 1 . PRO 129 129 52483 1 . PRO 130 130 52483 1 . PRO 131 131 52483 1 . SER 132 132 52483 1 . PRO 133 133 52483 1 . ALA 134 134 52483 1 . THR 135 135 52483 1 . GLU 136 136 52483 1 . ARG 137 137 52483 1 . SER 138 138 52483 1 . HIS 139 139 52483 1 . TYR 140 140 52483 1 . THR 141 141 52483 1 . MET 142 142 52483 1 . GLU 143 143 52483 1 . PHE 144 144 52483 1 . GLY 145 145 52483 1 . TYR 146 146 52483 1 . SER 147 147 52483 1 . SER 148 148 52483 1 . ASN 149 149 52483 1 . SER 150 150 52483 1 . PRO 151 151 52483 1 . SER 152 152 52483 1 . THR 153 153 52483 1 . HIS 154 154 52483 1 . ARG 155 155 52483 1 . SER 156 156 52483 1 . TYR 157 157 52483 1 . SER 158 158 52483 1 . ALA 159 159 52483 1 . ARG 160 160 52483 1 . PRO 161 161 52483 1 . ALA 162 162 52483 1 . SER 163 163 52483 1 . ALA 164 164 52483 1 . ARG 165 165 52483 1 . HIS 166 166 52483 1 . ALA 167 167 52483 1 . ALA 168 168 52483 1 . PRO 169 169 52483 1 . PRO 170 170 52483 1 . THR 171 171 52483 1 . THR 172 172 52483 1 . PRO 173 173 52483 1 . CYS 174 174 52483 1 . SER 175 175 52483 1 . THR 176 176 52483 1 . ASP 177 177 52483 1 . VAL 178 178 52483 1 . CYS 179 179 52483 1 . ASP 180 180 52483 1 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 52483 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52483 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 52483 _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 BL21-CodonPlus(DE3)-RIL . . plasmid . . pETM41 . . . 52483 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52483 _Sample.ID 1 _Sample.Name '13C 15N sample1' _Sample.Type solution _Sample.Sub_type . _Sample.Details '500uM protein, 25mM phosphate pH 6.7, 150mM sodium chloride' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lip-LRP6-L1(YYYF>AAAA) '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52483 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 52483 1 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 52483 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52483 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52483 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52483 _Sample.ID 2 _Sample.Name '13C 15N sample2' _Sample.Type solution _Sample.Sub_type . _Sample.Details '300uM protein, 25mM phosphate pH 6.7, 150mM sodium chloride' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lip-LRP6-L1(YYYF>AAAA) '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52483 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 52483 2 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 52483 2 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52483 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52483 2 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 52483 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'standard conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 210 . mM 52483 1 pH 6.7 . pH 52483 1 pressure 1 . atm 52483 1 temperature 293 . K 52483 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52483 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52483 1 processing . 52483 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52483 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52483 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52483 _Software.ID 3 _Software.Type . _Software.Name MARS _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52483 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 52483 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details 'TCI cryoprobe, 5mm, inverse' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52483 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details 'TCI cryoprobe, 5mm, inverse' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III-HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52483 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 4 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 7 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 8 HACAN no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 9 (H)CBCACON no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52483 1 10 (H)CBCANCO no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52483 1 11 H(CA)NCO no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 1 12 H(CACO)NCO no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52483 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 52483 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'backbone resonance assignments' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52483 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52483 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52483 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 52483 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'backbone resonance assignments' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52483 1 2 '3D HNCA' . . . 52483 1 3 '3D HNCACB' . . . 52483 1 6 '3D HN(CA)CO' . . . 52483 1 8 HACAN . . . 52483 1 11 H(CA)NCO . . . 52483 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52483 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 . 1 105 105 ALA H H 1 8.17 0.01 . 1 . . . . . 1 ALA H . 52483 1 2 . 1 . 1 105 105 ALA HA H 1 4.19 0.01 . 1 . . . . . 1 ALA HA . 52483 1 3 . 1 . 1 105 105 ALA C C 13 177.62 0.25 . 1 . . . . . 1 ALA C . 52483 1 4 . 1 . 1 105 105 ALA CA C 13 52.79 0.07 . 1 . . . . . 1 ALA CA . 52483 1 5 . 1 . 1 105 105 ALA CB C 13 19.30 0.10 . 1 . . . . . 1 ALA CB . 52483 1 6 . 1 . 1 105 105 ALA N N 15 123.54 0.03 . 1 . . . . . 1 ALA N . 52483 1 7 . 1 . 1 106 106 HIS H H 1 8.32 0.01 . 1 . . . . . 2 HIS H . 52483 1 8 . 1 . 1 106 106 HIS HA H 1 4.64 0.01 . 1 . . . . . 2 HIS HA . 52483 1 9 . 1 . 1 106 106 HIS C C 13 174.94 0.25 . 1 . . . . . 2 HIS C . 52483 1 10 . 1 . 1 106 106 HIS CA C 13 55.87 0.07 . 1 . . . . . 2 HIS CA . 52483 1 11 . 1 . 1 106 106 HIS CB C 13 29.89 0.10 . 1 . . . . . 2 HIS CB . 52483 1 12 . 1 . 1 106 106 HIS N N 15 116.90 0.03 . 1 . . . . . 2 HIS N . 52483 1 13 . 1 . 1 107 107 VAL H H 1 8.12 0.01 . 1 . . . . . 3 VAL H . 52483 1 14 . 1 . 1 107 107 VAL HA H 1 4.16 0.01 . 1 . . . . . 3 VAL HA . 52483 1 15 . 1 . 1 107 107 VAL C C 13 176.44 0.25 . 1 . . . . . 3 VAL C . 52483 1 16 . 1 . 1 107 107 VAL CA C 13 62.51 0.07 . 1 . . . . . 3 VAL CA . 52483 1 17 . 1 . 1 107 107 VAL CB C 13 32.93 0.10 . 1 . . . . . 3 VAL CB . 52483 1 18 . 1 . 1 107 107 VAL N N 15 120.85 0.03 . 1 . . . . . 3 VAL N . 52483 1 19 . 1 . 1 108 108 THR H H 1 8.30 0.01 . 1 . . . . . 4 THR H . 52483 1 20 . 1 . 1 108 108 THR HA H 1 4.34 0.01 . 1 . . . . . 4 THR HA . 52483 1 21 . 1 . 1 108 108 THR C C 13 175.21 0.25 . 1 . . . . . 4 THR C . 52483 1 22 . 1 . 1 108 108 THR CA C 13 62.21 0.07 . 1 . . . . . 4 THR CA . 52483 1 23 . 1 . 1 108 108 THR CB C 13 69.98 0.10 . 1 . . . . . 4 THR CB . 52483 1 24 . 1 . 1 108 108 THR N N 15 117.00 0.03 . 1 . . . . . 4 THR N . 52483 1 25 . 1 . 1 109 109 GLY H H 1 8.45 0.01 . 1 . . . . . 5 GLY H . 52483 1 26 . 1 . 1 109 109 GLY HA2 H 1 3.97 0.01 . 1 . . . . . 5 GLY HA2 . 52483 1 27 . 1 . 1 109 109 GLY HA3 H 1 3.97 0.01 . 1 . . . . . 5 GLY HA3 . 52483 1 28 . 1 . 1 109 109 GLY C C 13 174.06 0.25 . 1 . . . . . 5 GLY C . 52483 1 29 . 1 . 1 109 109 GLY CA C 13 45.40 0.07 . 1 . . . . . 5 GLY CA . 52483 1 30 . 1 . 1 109 109 GLY N N 15 110.56 0.03 . 1 . . . . . 5 GLY N . 52483 1 31 . 1 . 1 110 110 ALA H H 1 8.21 0.01 . 1 . . . . . 6 ALA H . 52483 1 32 . 1 . 1 110 110 ALA HA H 1 4.35 0.01 . 1 . . . . . 6 ALA HA . 52483 1 33 . 1 . 1 110 110 ALA C C 13 178.14 0.25 . 1 . . . . . 6 ALA C . 52483 1 34 . 1 . 1 110 110 ALA CA C 13 52.68 0.07 . 1 . . . . . 6 ALA CA . 52483 1 35 . 1 . 1 110 110 ALA CB C 13 19.62 0.10 . 1 . . . . . 6 ALA CB . 52483 1 36 . 1 . 1 110 110 ALA N N 15 122.73 0.03 . 1 . . . . . 6 ALA N . 52483 1 37 . 1 . 1 111 111 SER H H 1 8.41 0.01 . 1 . . . . . 7 SER H . 52483 1 38 . 1 . 1 111 111 SER HA H 1 4.49 0.01 . 1 . . . . . 7 SER HA . 52483 1 39 . 1 . 1 111 111 SER C C 13 174.92 0.25 . 1 . . . . . 7 SER C . 52483 1 40 . 1 . 1 111 111 SER CA C 13 58.48 0.07 . 1 . . . . . 7 SER CA . 52483 1 41 . 1 . 1 111 111 SER CB C 13 63.99 0.10 . 1 . . . . . 7 SER CB . 52483 1 42 . 1 . 1 111 111 SER N N 15 114.11 0.03 . 1 . . . . . 7 SER N . 52483 1 43 . 1 . 1 112 112 SER H H 1 8.40 0.01 . 1 . . . . . 8 SER H . 52483 1 44 . 1 . 1 112 112 SER HA H 1 4.50 0.03 . 1 . . . . . 8 SER HA . 52483 1 45 . 1 . 1 112 112 SER C C 13 174.83 0.25 . 1 . . . . . 8 SER C . 52483 1 46 . 1 . 1 112 112 SER CA C 13 58.61 0.07 . 1 . . . . . 8 SER CA . 52483 1 47 . 1 . 1 112 112 SER N N 15 116.64 0.03 . 1 . . . . . 8 SER N . 52483 1 48 . 1 . 1 118 118 THR H H 1 8.20 0.01 . 1 . . . . . 14 THR H . 52483 1 49 . 1 . 1 118 118 THR HA H 1 4.36 0.01 . 1 . . . . . 14 THR HA . 52483 1 50 . 1 . 1 118 118 THR C C 13 174.84 0.25 . 1 . . . . . 14 THR C . 52483 1 51 . 1 . 1 118 118 THR CA C 13 62.17 0.07 . 1 . . . . . 14 THR CA . 52483 1 52 . 1 . 1 118 118 THR CB C 13 69.74 0.10 . 1 . . . . . 14 THR CB . 52483 1 53 . 1 . 1 118 118 THR N N 15 114.81 0.03 . 1 . . . . . 14 THR N . 52483 1 54 . 1 . 1 119 119 LYS H H 1 8.30 0.01 . 1 . . . . . 15 LYS H . 52483 1 55 . 1 . 1 119 119 LYS HA H 1 4.33 0.01 . 1 . . . . . 15 LYS HA . 52483 1 56 . 1 . 1 119 119 LYS C C 13 177.13 0.25 . 1 . . . . . 15 LYS C . 52483 1 57 . 1 . 1 119 119 LYS CA C 13 56.77 0.07 . 1 . . . . . 15 LYS CA . 52483 1 58 . 1 . 1 119 119 LYS CB C 13 33.14 0.10 . 1 . . . . . 15 LYS CB . 52483 1 59 . 1 . 1 119 119 LYS N N 15 122.63 0.03 . 1 . . . . . 15 LYS N . 52483 1 60 . 1 . 1 120 120 GLY H H 1 8.41 0.01 . 1 . . . . . 16 GLY H . 52483 1 61 . 1 . 1 120 120 GLY HA2 H 1 3.97 0.01 . 1 . . . . . 16 GLY HA2 . 52483 1 62 . 1 . 1 120 120 GLY HA3 H 1 3.97 0.01 . 1 . . . . . 16 GLY HA3 . 52483 1 63 . 1 . 1 120 120 GLY C C 13 174.11 0.25 . 1 . . . . . 16 GLY C . 52483 1 64 . 1 . 1 120 120 GLY CA C 13 45.37 0.07 . 1 . . . . . 16 GLY CA . 52483 1 65 . 1 . 1 120 120 GLY N N 15 108.94 0.03 . 1 . . . . . 16 GLY N . 52483 1 66 . 1 . 1 121 121 THR H H 1 7.99 0.01 . 1 . . . . . 17 THR H . 52483 1 67 . 1 . 1 121 121 THR HA H 1 4.25 0.01 . 1 . . . . . 17 THR HA . 52483 1 68 . 1 . 1 121 121 THR C C 13 173.84 0.25 . 1 . . . . . 17 THR C . 52483 1 69 . 1 . 1 121 121 THR CA C 13 61.99 0.07 . 1 . . . . . 17 THR CA . 52483 1 70 . 1 . 1 121 121 THR CB C 13 70.07 0.10 . 1 . . . . . 17 THR CB . 52483 1 71 . 1 . 1 121 121 THR N N 15 112.88 0.03 . 1 . . . . . 17 THR N . 52483 1 72 . 1 . 1 122 122 TYR H H 1 8.16 0.01 . 1 . . . . . 18 TYR H . 52483 1 73 . 1 . 1 122 122 TYR HA H 1 4.54 0.01 . 1 . . . . . 18 TYR HA . 52483 1 74 . 1 . 1 122 122 TYR C C 13 174.56 0.25 . 1 . . . . . 18 TYR C . 52483 1 75 . 1 . 1 122 122 TYR CA C 13 57.79 0.07 . 1 . . . . . 18 TYR CA . 52483 1 76 . 1 . 1 122 122 TYR CB C 13 39.22 0.10 . 1 . . . . . 18 TYR CB . 52483 1 77 . 1 . 1 122 122 TYR N N 15 122.29 0.03 . 1 . . . . . 18 TYR N . 52483 1 78 . 1 . 1 123 123 PHE H H 1 8.11 0.01 . 1 . . . . . 19 PHE H . 52483 1 79 . 1 . 1 123 123 PHE HA H 1 4.76 0.01 . 1 . . . . . 19 PHE HA . 52483 1 80 . 1 . 1 123 123 PHE C C 13 173.19 0.25 . 1 . . . . . 19 PHE C . 52483 1 81 . 1 . 1 123 123 PHE CA C 13 55.35 0.07 . 1 . . . . . 19 PHE CA . 52483 1 82 . 1 . 1 123 123 PHE CB C 13 39.53 0.10 . 1 . . . . . 19 PHE CB . 52483 1 83 . 1 . 1 123 123 PHE N N 15 123.45 0.03 . 1 . . . . . 19 PHE N . 52483 1 84 . 1 . 1 124 124 PRO HA H 1 4.29 0.01 . 1 . . . . . 20 PRO HA . 52483 1 85 . 1 . 1 124 124 PRO C C 13 176.40 0.25 . 1 . . . . . 20 PRO C . 52483 1 86 . 1 . 1 124 124 PRO CA C 13 63.08 0.07 . 1 . . . . . 20 PRO CA . 52483 1 87 . 1 . 1 124 124 PRO CB C 13 32.18 0.10 . 1 . . . . . 20 PRO CB . 52483 1 88 . 1 . 1 124 124 PRO N N 15 135.32 0.04 . 1 . . . . . 20 PRO N . 52483 1 89 . 1 . 1 125 125 ALA H H 1 8.24 0.01 . 1 . . . . . 21 ALA H . 52483 1 90 . 1 . 1 125 125 ALA HA H 1 4.28 0.01 . 1 . . . . . 21 ALA HA . 52483 1 91 . 1 . 1 125 125 ALA C C 13 177.80 0.25 . 1 . . . . . 21 ALA C . 52483 1 92 . 1 . 1 125 125 ALA CA C 13 52.63 0.07 . 1 . . . . . 21 ALA CA . 52483 1 93 . 1 . 1 125 125 ALA CB C 13 19.34 0.10 . 1 . . . . . 21 ALA CB . 52483 1 94 . 1 . 1 125 125 ALA N N 15 122.84 0.03 . 1 . . . . . 21 ALA N . 52483 1 95 . 1 . 1 126 126 ILE H H 1 8.07 0.01 . 1 . . . . . 22 ILE H . 52483 1 96 . 1 . 1 126 126 ILE HA H 1 4.12 0.01 . 1 . . . . . 22 ILE HA . 52483 1 97 . 1 . 1 126 126 ILE C C 13 176.09 0.25 . 1 . . . . . 22 ILE C . 52483 1 98 . 1 . 1 126 126 ILE CA C 13 61.10 0.07 . 1 . . . . . 22 ILE CA . 52483 1 99 . 1 . 1 126 126 ILE CB C 13 38.85 0.10 . 1 . . . . . 22 ILE CB . 52483 1 100 . 1 . 1 126 126 ILE N N 15 118.90 0.03 . 1 . . . . . 22 ILE N . 52483 1 101 . 1 . 1 127 127 LEU H H 1 8.28 0.01 . 1 . . . . . 23 LEU H . 52483 1 102 . 1 . 1 127 127 LEU HA H 1 4.36 0.01 . 1 . . . . . 23 LEU HA . 52483 1 103 . 1 . 1 127 127 LEU C C 13 176.63 0.25 . 1 . . . . . 23 LEU C . 52483 1 104 . 1 . 1 127 127 LEU CA C 13 55.07 0.07 . 1 . . . . . 23 LEU CA . 52483 1 105 . 1 . 1 127 127 LEU CB C 13 42.64 0.10 . 1 . . . . . 23 LEU CB . 52483 1 106 . 1 . 1 127 127 LEU N N 15 125.15 0.03 . 1 . . . . . 23 LEU N . 52483 1 107 . 1 . 1 128 128 ASN H H 1 8.41 0.01 . 1 . . . . . 24 ASN H . 52483 1 108 . 1 . 1 128 128 ASN HA H 1 4.96 0.01 . 1 . . . . . 24 ASN HA . 52483 1 109 . 1 . 1 128 128 ASN C C 13 181.33 0.25 . 1 . . . . . 24 ASN C . 52483 1 110 . 1 . 1 128 128 ASN CA C 13 51.56 0.07 . 1 . . . . . 24 ASN CA . 52483 1 111 . 1 . 1 128 128 ASN CB C 13 38.97 0.10 . 1 . . . . . 24 ASN CB . 52483 1 112 . 1 . 1 128 128 ASN N N 15 119.05 0.03 . 1 . . . . . 24 ASN N . 52483 1 113 . 1 . 1 129 129 PRO HA H 1 4.63 0.01 . 1 . . . . . 25 PRO HA . 52483 1 114 . 1 . 1 129 129 PRO C C 13 174.31 0.10 . 1 . . . . . 25 PRO C . 52483 1 115 . 1 . 1 129 129 PRO CA C 13 61.70 0.01 . 1 . . . . . 25 PRO CA . 52483 1 116 . 1 . 1 129 129 PRO CB C 13 30.88 0.01 . 1 . . . . . 25 PRO CB . 52483 1 117 . 1 . 1 129 129 PRO N N 15 136.44 0.04 . 1 . . . . . 25 PRO N . 52483 1 118 . 1 . 1 130 130 PRO HA H 1 4.69 0.01 . 1 . . . . . 26 PRO HA . 52483 1 119 . 1 . 1 130 130 PRO C C 13 174.78 0.10 . 1 . . . . . 26 PRO C . 52483 1 120 . 1 . 1 130 130 PRO CA C 13 61.37 0.01 . 1 . . . . . 26 PRO CA . 52483 1 121 . 1 . 1 130 130 PRO CB C 13 30.88 0.01 . 1 . . . . . 26 PRO CB . 52483 1 122 . 1 . 1 130 130 PRO N N 15 135.38 0.04 . 1 . . . . . 26 PRO N . 52483 1 123 . 1 . 1 131 131 PRO HA H 1 4.43 0.01 . 1 . . . . . 27 PRO HA . 52483 1 124 . 1 . 1 131 131 PRO C C 13 176.82 0.25 . 1 . . . . . 27 PRO C . 52483 1 125 . 1 . 1 131 131 PRO CA C 13 62.93 0.07 . 1 . . . . . 27 PRO CA . 52483 1 126 . 1 . 1 131 131 PRO CB C 13 32.28 0.10 . 1 . . . . . 27 PRO CB . 52483 1 127 . 1 . 1 131 131 PRO N N 15 134.02 0.04 . 1 . . . . . 27 PRO N . 52483 1 128 . 1 . 1 132 132 SER H H 1 8.42 0.01 . 1 . . . . . 28 SER H . 52483 1 129 . 1 . 1 132 132 SER HA H 1 4.75 0.01 . 1 . . . . . 28 SER HA . 52483 1 130 . 1 . 1 132 132 SER C C 13 173.04 0.25 . 1 . . . . . 28 SER C . 52483 1 131 . 1 . 1 132 132 SER CA C 13 56.47 0.07 . 1 . . . . . 28 SER CA . 52483 1 132 . 1 . 1 132 132 SER CB C 13 63.50 0.10 . 1 . . . . . 28 SER CB . 52483 1 133 . 1 . 1 132 132 SER N N 15 116.35 0.03 . 1 . . . . . 28 SER N . 52483 1 134 . 1 . 1 133 133 PRO HA H 1 4.42 0.01 . 1 . . . . . 29 PRO HA . 52483 1 135 . 1 . 1 133 133 PRO C C 13 177.04 0.25 . 1 . . . . . 29 PRO C . 52483 1 136 . 1 . 1 133 133 PRO CA C 13 63.59 0.07 . 1 . . . . . 29 PRO CA . 52483 1 137 . 1 . 1 133 133 PRO CB C 13 32.25 0.10 . 1 . . . . . 29 PRO CB . 52483 1 138 . 1 . 1 133 133 PRO N N 15 136.83 0.04 . 1 . . . . . 29 PRO N . 52483 1 139 . 1 . 1 134 134 ALA H H 1 8.39 0.01 . 1 . . . . . 30 ALA H . 52483 1 140 . 1 . 1 134 134 ALA HA H 1 4.31 0.01 . 1 . . . . . 30 ALA HA . 52483 1 141 . 1 . 1 134 134 ALA C C 13 178.38 0.25 . 1 . . . . . 30 ALA C . 52483 1 142 . 1 . 1 134 134 ALA CA C 13 53.02 0.07 . 1 . . . . . 30 ALA CA . 52483 1 143 . 1 . 1 134 134 ALA CB C 13 19.18 0.10 . 1 . . . . . 30 ALA CB . 52483 1 144 . 1 . 1 134 134 ALA N N 15 122.56 0.03 . 1 . . . . . 30 ALA N . 52483 1 145 . 1 . 1 135 135 THR H H 1 8.03 0.01 . 1 . . . . . 31 THR H . 52483 1 146 . 1 . 1 135 135 THR HA H 1 4.28 0.01 . 1 . . . . . 31 THR HA . 52483 1 147 . 1 . 1 135 135 THR C C 13 174.95 0.25 . 1 . . . . . 31 THR C . 52483 1 148 . 1 . 1 135 135 THR CA C 13 62.22 0.07 . 1 . . . . . 31 THR CA . 52483 1 149 . 1 . 1 135 135 THR CB C 13 69.91 0.10 . 1 . . . . . 31 THR CB . 52483 1 150 . 1 . 1 135 135 THR N N 15 111.50 0.03 . 1 . . . . . 31 THR N . 52483 1 151 . 1 . 1 136 136 GLU H H 1 8.35 0.01 . 1 . . . . . 32 GLU H . 52483 1 152 . 1 . 1 136 136 GLU HA H 1 4.29 0.01 . 1 . . . . . 32 GLU HA . 52483 1 153 . 1 . 1 136 136 GLU C C 13 176.64 0.25 . 1 . . . . . 32 GLU C . 52483 1 154 . 1 . 1 136 136 GLU CA C 13 56.89 0.07 . 1 . . . . . 32 GLU CA . 52483 1 155 . 1 . 1 136 136 GLU CB C 13 30.34 0.10 . 1 . . . . . 32 GLU CB . 52483 1 156 . 1 . 1 136 136 GLU N N 15 122.22 0.03 . 1 . . . . . 32 GLU N . 52483 1 157 . 1 . 1 137 137 ARG H H 1 8.34 0.01 . 1 . . . . . 33 ARG H . 52483 1 158 . 1 . 1 137 137 ARG HA H 1 4.31 0.01 . 1 . . . . . 33 ARG HA . 52483 1 159 . 1 . 1 137 137 ARG C C 13 176.60 0.25 . 1 . . . . . 33 ARG C . 52483 1 160 . 1 . 1 137 137 ARG CA C 13 56.39 0.07 . 1 . . . . . 33 ARG CA . 52483 1 161 . 1 . 1 137 137 ARG CB C 13 30.92 0.10 . 1 . . . . . 33 ARG CB . 52483 1 162 . 1 . 1 137 137 ARG N N 15 120.77 0.03 . 1 . . . . . 33 ARG N . 52483 1 163 . 1 . 1 138 138 SER H H 1 8.30 0.01 . 1 . . . . . 34 SER H . 52483 1 164 . 1 . 1 138 138 SER HA H 1 4.36 0.03 . 1 . . . . . 34 SER HA . 52483 1 165 . 1 . 1 138 138 SER C C 13 174.56 0.25 . 1 . . . . . 34 SER C . 52483 1 166 . 1 . 1 138 138 SER CA C 13 58.79 0.07 . 1 . . . . . 34 SER CA . 52483 1 167 . 1 . 1 138 138 SER CB C 13 63.90 0.10 . 1 . . . . . 34 SER CB . 52483 1 168 . 1 . 1 138 138 SER N N 15 115.48 0.03 . 1 . . . . . 34 SER N . 52483 1 169 . 1 . 1 140 140 TYR H H 1 8.13 0.01 . 1 . . . . . 36 TYR H . 52483 1 170 . 1 . 1 140 140 TYR HA H 1 4.58 0.01 . 1 . . . . . 36 TYR HA . 52483 1 171 . 1 . 1 140 140 TYR C C 13 175.97 0.25 . 1 . . . . . 36 TYR C . 52483 1 172 . 1 . 1 140 140 TYR CA C 13 58.23 0.07 . 1 . . . . . 36 TYR CA . 52483 1 173 . 1 . 1 140 140 TYR CB C 13 38.97 0.10 . 1 . . . . . 36 TYR CB . 52483 1 174 . 1 . 1 140 140 TYR N N 15 120.01 0.03 . 1 . . . . . 36 TYR N . 52483 1 175 . 1 . 1 141 141 THR H H 1 8.01 0.01 . 1 . . . . . 37 THR H . 52483 1 176 . 1 . 1 141 141 THR HA H 1 4.26 0.01 . 1 . . . . . 37 THR HA . 52483 1 177 . 1 . 1 141 141 THR C C 13 174.43 0.25 . 1 . . . . . 37 THR C . 52483 1 178 . 1 . 1 141 141 THR CA C 13 61.90 0.07 . 1 . . . . . 37 THR CA . 52483 1 179 . 1 . 1 141 141 THR CB C 13 70.14 0.10 . 1 . . . . . 37 THR CB . 52483 1 180 . 1 . 1 141 141 THR N N 15 114.63 0.03 . 1 . . . . . 37 THR N . 52483 1 181 . 1 . 1 142 142 MET H H 1 8.28 0.01 . 1 . . . . . 38 MET H . 52483 1 182 . 1 . 1 142 142 MET HA H 1 4.37 0.01 . 1 . . . . . 38 MET HA . 52483 1 183 . 1 . 1 142 142 MET C C 13 176.27 0.25 . 1 . . . . . 38 MET C . 52483 1 184 . 1 . 1 142 142 MET CA C 13 55.92 0.07 . 1 . . . . . 38 MET CA . 52483 1 185 . 1 . 1 142 142 MET CB C 13 32.96 0.10 . 1 . . . . . 38 MET CB . 52483 1 186 . 1 . 1 142 142 MET N N 15 121.12 0.03 . 1 . . . . . 38 MET N . 52483 1 187 . 1 . 1 143 143 GLU H H 1 8.30 0.01 . 1 . . . . . 39 GLU H . 52483 1 188 . 1 . 1 143 143 GLU HA H 1 4.14 0.01 . 1 . . . . . 39 GLU HA . 52483 1 189 . 1 . 1 143 143 GLU C C 13 176.31 0.25 . 1 . . . . . 39 GLU C . 52483 1 190 . 1 . 1 143 143 GLU CA C 13 56.98 0.07 . 1 . . . . . 39 GLU CA . 52483 1 191 . 1 . 1 143 143 GLU CB C 13 30.41 0.10 . 1 . . . . . 39 GLU CB . 52483 1 192 . 1 . 1 143 143 GLU N N 15 120.50 0.03 . 1 . . . . . 39 GLU N . 52483 1 193 . 1 . 1 144 144 PHE H H 1 8.22 0.01 . 1 . . . . . 40 PHE H . 52483 1 194 . 1 . 1 144 144 PHE HA H 1 4.57 0.01 . 1 . . . . . 40 PHE HA . 52483 1 195 . 1 . 1 144 144 PHE C C 13 176.37 0.25 . 1 . . . . . 40 PHE C . 52483 1 196 . 1 . 1 144 144 PHE CA C 13 58.10 0.07 . 1 . . . . . 40 PHE CA . 52483 1 197 . 1 . 1 144 144 PHE CB C 13 39.67 0.10 . 1 . . . . . 40 PHE CB . 52483 1 198 . 1 . 1 144 144 PHE N N 15 119.14 0.03 . 1 . . . . . 40 PHE N . 52483 1 199 . 1 . 1 145 145 GLY H H 1 8.23 0.01 . 1 . . . . . 41 GLY H . 52483 1 200 . 1 . 1 145 145 GLY HA2 H 1 3.88 0.01 . 1 . . . . . 41 GLY HA2 . 52483 1 201 . 1 . 1 145 145 GLY HA3 H 1 3.88 0.01 . 1 . . . . . 41 GLY HA3 . 52483 1 202 . 1 . 1 145 145 GLY C C 13 173.96 0.25 . 1 . . . . . 41 GLY C . 52483 1 203 . 1 . 1 145 145 GLY CA C 13 45.42 0.07 . 1 . . . . . 41 GLY CA . 52483 1 204 . 1 . 1 145 145 GLY N N 15 109.06 0.03 . 1 . . . . . 41 GLY N . 52483 1 205 . 1 . 1 146 146 TYR H H 1 8.02 0.01 . 1 . . . . . 42 TYR H . 52483 1 206 . 1 . 1 146 146 TYR HA H 1 4.57 0.01 . 1 . . . . . 42 TYR HA . 52483 1 207 . 1 . 1 146 146 TYR C C 13 176.08 0.25 . 1 . . . . . 42 TYR C . 52483 1 208 . 1 . 1 146 146 TYR CA C 13 58.26 0.07 . 1 . . . . . 42 TYR CA . 52483 1 209 . 1 . 1 146 146 TYR CB C 13 39.08 0.10 . 1 . . . . . 42 TYR CB . 52483 1 210 . 1 . 1 146 146 TYR N N 15 119.01 0.03 . 1 . . . . . 42 TYR N . 52483 1 211 . 1 . 1 147 147 SER H H 1 8.25 0.01 . 1 . . . . . 43 SER H . 52483 1 212 . 1 . 1 147 147 SER HA H 1 4.46 0.03 . 1 . . . . . 43 SER HA . 52483 1 213 . 1 . 1 147 147 SER C C 13 174.58 0.25 . 1 . . . . . 43 SER C . 52483 1 214 . 1 . 1 147 147 SER CB C 13 64.18 0.10 . 1 . . . . . 43 SER CB . 52483 1 215 . 1 . 1 147 147 SER N N 15 116.48 0.03 . 1 . . . . . 43 SER N . 52483 1 216 . 1 . 1 149 149 ASN H H 1 8.39 0.01 . 1 . . . . . 45 ASN H . 52483 1 217 . 1 . 1 149 149 ASN HA H 1 4.75 0.01 . 1 . . . . . 45 ASN HA . 52483 1 218 . 1 . 1 149 149 ASN C C 13 174.98 0.25 . 1 . . . . . 45 ASN C . 52483 1 219 . 1 . 1 149 149 ASN CA C 13 53.30 0.07 . 1 . . . . . 45 ASN CA . 52483 1 220 . 1 . 1 149 149 ASN CB C 13 39.04 0.10 . 1 . . . . . 45 ASN CB . 52483 1 221 . 1 . 1 149 149 ASN N N 15 119.06 0.03 . 1 . . . . . 45 ASN N . 52483 1 222 . 1 . 1 150 150 SER H H 1 8.14 0.01 . 1 . . . . . 46 SER H . 52483 1 223 . 1 . 1 150 150 SER HA H 1 4.72 0.01 . 1 . . . . . 46 SER HA . 52483 1 224 . 1 . 1 150 150 SER C C 13 172.92 0.25 . 1 . . . . . 46 SER C . 52483 1 225 . 1 . 1 150 150 SER CA C 13 56.60 0.07 . 1 . . . . . 46 SER CA . 52483 1 226 . 1 . 1 150 150 SER CB C 13 63.45 0.10 . 1 . . . . . 46 SER CB . 52483 1 227 . 1 . 1 150 150 SER N N 15 115.82 0.03 . 1 . . . . . 46 SER N . 52483 1 228 . 1 . 1 151 151 PRO HA H 1 4.43 0.01 . 1 . . . . . 47 PRO HA . 52483 1 229 . 1 . 1 151 151 PRO C C 13 177.31 0.25 . 1 . . . . . 47 PRO C . 52483 1 230 . 1 . 1 151 151 PRO CA C 13 63.72 0.07 . 1 . . . . . 47 PRO CA . 52483 1 231 . 1 . 1 151 151 PRO CB C 13 32.25 0.10 . 1 . . . . . 47 PRO CB . 52483 1 232 . 1 . 1 151 151 PRO N N 15 137.00 0.04 . 1 . . . . . 47 PRO N . 52483 1 233 . 1 . 1 152 152 SER H H 1 8.38 0.01 . 1 . . . . . 48 SER H . 52483 1 234 . 1 . 1 152 152 SER HA H 1 4.42 0.01 . 1 . . . . . 48 SER HA . 52483 1 235 . 1 . 1 152 152 SER C C 13 175.15 0.25 . 1 . . . . . 48 SER C . 52483 1 236 . 1 . 1 152 152 SER CA C 13 58.76 0.07 . 1 . . . . . 48 SER CA . 52483 1 237 . 1 . 1 152 152 SER CB C 13 63.90 0.10 . 1 . . . . . 48 SER CB . 52483 1 238 . 1 . 1 152 152 SER N N 15 114.26 0.03 . 1 . . . . . 48 SER N . 52483 1 239 . 1 . 1 153 153 THR H H 1 8.07 0.01 . 1 . . . . . 49 THR H . 52483 1 240 . 1 . 1 153 153 THR HA H 1 4.31 0.03 . 1 . . . . . 49 THR HA . 52483 1 241 . 1 . 1 153 153 THR C C 13 174.59 0.25 . 1 . . . . . 49 THR C . 52483 1 242 . 1 . 1 153 153 THR CA C 13 62.15 0.07 . 1 . . . . . 49 THR CA . 52483 1 243 . 1 . 1 153 153 THR CB C 13 69.79 0.10 . 1 . . . . . 49 THR CB . 52483 1 244 . 1 . 1 153 153 THR N N 15 114.06 0.03 . 1 . . . . . 49 THR N . 52483 1 245 . 1 . 1 155 155 ARG H H 1 8.30 0.01 . 1 . . . . . 51 ARG H . 52483 1 246 . 1 . 1 155 155 ARG HA H 1 4.30 0.01 . 1 . . . . . 51 ARG HA . 52483 1 247 . 1 . 1 155 155 ARG C C 13 176.11 0.25 . 1 . . . . . 51 ARG C . 52483 1 248 . 1 . 1 155 155 ARG CA C 13 56.18 0.07 . 1 . . . . . 51 ARG CA . 52483 1 249 . 1 . 1 155 155 ARG CB C 13 31.04 0.10 . 1 . . . . . 51 ARG CB . 52483 1 250 . 1 . 1 155 155 ARG N N 15 121.58 0.03 . 1 . . . . . 51 ARG N . 52483 1 251 . 1 . 1 156 156 SER H H 1 8.41 0.01 . 1 . . . . . 52 SER H . 52483 1 252 . 1 . 1 156 156 SER HA H 1 4.43 0.01 . 1 . . . . . 52 SER HA . 52483 1 253 . 1 . 1 156 156 SER C C 13 174.37 0.25 . 1 . . . . . 52 SER C . 52483 1 254 . 1 . 1 156 156 SER CA C 13 58.32 0.07 . 1 . . . . . 52 SER CA . 52483 1 255 . 1 . 1 156 156 SER CB C 13 64.06 0.10 . 1 . . . . . 52 SER CB . 52483 1 256 . 1 . 1 156 156 SER N N 15 116.03 0.03 . 1 . . . . . 52 SER N . 52483 1 257 . 1 . 1 157 157 TYR H H 1 8.31 0.01 . 1 . . . . . 53 TYR H . 52483 1 258 . 1 . 1 157 157 TYR HA H 1 4.59 0.01 . 1 . . . . . 53 TYR HA . 52483 1 259 . 1 . 1 157 157 TYR C C 13 175.87 0.25 . 1 . . . . . 53 TYR C . 52483 1 260 . 1 . 1 157 157 TYR CA C 13 58.16 0.07 . 1 . . . . . 53 TYR CA . 52483 1 261 . 1 . 1 157 157 TYR CB C 13 39.06 0.10 . 1 . . . . . 53 TYR CB . 52483 1 262 . 1 . 1 157 157 TYR N N 15 121.50 0.03 . 1 . . . . . 53 TYR N . 52483 1 263 . 1 . 1 158 158 SER H H 1 8.15 0.01 . 1 . . . . . 54 SER H . 52483 1 264 . 1 . 1 158 158 SER HA H 1 4.39 0.03 . 1 . . . . . 54 SER HA . 52483 1 265 . 1 . 1 158 158 SER C C 13 173.86 0.25 . 1 . . . . . 54 SER C . 52483 1 266 . 1 . 1 158 158 SER CA C 13 58.24 0.07 . 1 . . . . . 54 SER CA . 52483 1 267 . 1 . 1 158 158 SER CB C 13 64.04 0.10 . 1 . . . . . 54 SER CB . 52483 1 268 . 1 . 1 158 158 SER N N 15 116.34 0.03 . 1 . . . . . 54 SER N . 52483 1 269 . 1 . 1 159 159 ALA H H 1 8.26 0.01 . 1 . . . . . 55 ALA H . 52483 1 270 . 1 . 1 159 159 ALA HA H 1 4.32 0.01 . 1 . . . . . 55 ALA HA . 52483 1 271 . 1 . 1 159 159 ALA C C 13 177.42 0.25 . 1 . . . . . 55 ALA C . 52483 1 272 . 1 . 1 159 159 ALA CA C 13 52.48 0.07 . 1 . . . . . 55 ALA CA . 52483 1 273 . 1 . 1 159 159 ALA CB C 13 19.48 0.10 . 1 . . . . . 55 ALA CB . 52483 1 274 . 1 . 1 159 159 ALA N N 15 124.86 0.03 . 1 . . . . . 55 ALA N . 52483 1 275 . 1 . 1 160 160 ARG H H 1 8.26 0.01 . 1 . . . . . 56 ARG H . 52483 1 276 . 1 . 1 160 160 ARG HA H 1 4.59 0.01 . 1 . . . . . 56 ARG HA . 52483 1 277 . 1 . 1 160 160 ARG C C 13 174.23 0.25 . 1 . . . . . 56 ARG C . 52483 1 278 . 1 . 1 160 160 ARG CA C 13 54.01 0.07 . 1 . . . . . 56 ARG CA . 52483 1 279 . 1 . 1 160 160 ARG CB C 13 30.34 0.10 . 1 . . . . . 56 ARG CB . 52483 1 280 . 1 . 1 160 160 ARG N N 15 120.25 0.03 . 1 . . . . . 56 ARG N . 52483 1 281 . 1 . 1 161 161 PRO HA H 1 4.41 0.01 . 1 . . . . . 57 PRO HA . 52483 1 282 . 1 . 1 161 161 PRO C C 13 176.98 0.25 . 1 . . . . . 57 PRO C . 52483 1 283 . 1 . 1 161 161 PRO CA C 13 63.19 0.07 . 1 . . . . . 57 PRO CA . 52483 1 284 . 1 . 1 161 161 PRO CB C 13 32.25 0.10 . 1 . . . . . 57 PRO CB . 52483 1 285 . 1 . 1 161 161 PRO N N 15 136.29 0.04 . 1 . . . . . 57 PRO N . 52483 1 286 . 1 . 1 162 162 ALA H H 1 8.53 0.01 . 1 . . . . . 58 ALA H . 52483 1 287 . 1 . 1 162 162 ALA HA H 1 4.25 0.01 . 1 . . . . . 58 ALA HA . 52483 1 288 . 1 . 1 162 162 ALA C C 13 178.21 0.25 . 1 . . . . . 58 ALA C . 52483 1 289 . 1 . 1 162 162 ALA CA C 13 53.06 0.07 . 1 . . . . . 58 ALA CA . 52483 1 290 . 1 . 1 162 162 ALA CB C 13 19.16 0.10 . 1 . . . . . 58 ALA CB . 52483 1 291 . 1 . 1 162 162 ALA N N 15 123.61 0.03 . 1 . . . . . 58 ALA N . 52483 1 292 . 1 . 1 163 163 SER H H 1 8.26 0.01 . 1 . . . . . 59 SER H . 52483 1 293 . 1 . 1 163 163 SER HA H 1 4.37 0.01 . 1 . . . . . 59 SER HA . 52483 1 294 . 1 . 1 163 163 SER C C 13 174.55 0.25 . 1 . . . . . 59 SER C . 52483 1 295 . 1 . 1 163 163 SER CA C 13 58.40 0.07 . 1 . . . . . 59 SER CA . 52483 1 296 . 1 . 1 163 163 SER CB C 13 63.97 0.10 . 1 . . . . . 59 SER CB . 52483 1 297 . 1 . 1 163 163 SER N N 15 113.36 0.03 . 1 . . . . . 59 SER N . 52483 1 298 . 1 . 1 164 164 ALA H H 1 8.27 0.01 . 1 . . . . . 60 ALA H . 52483 1 299 . 1 . 1 164 164 ALA HA H 1 4.32 0.01 . 1 . . . . . 60 ALA HA . 52483 1 300 . 1 . 1 164 164 ALA C C 13 177.74 0.25 . 1 . . . . . 60 ALA C . 52483 1 301 . 1 . 1 164 164 ALA CA C 13 52.66 0.07 . 1 . . . . . 60 ALA CA . 52483 1 302 . 1 . 1 164 164 ALA CB C 13 19.32 0.10 . 1 . . . . . 60 ALA CB . 52483 1 303 . 1 . 1 164 164 ALA N N 15 124.80 0.03 . 1 . . . . . 60 ALA N . 52483 1 304 . 1 . 1 165 165 ARG H H 1 8.20 0.01 . 1 . . . . . 61 ARG H . 52483 1 305 . 1 . 1 165 165 ARG HA H 1 4.23 0.01 . 1 . . . . . 61 ARG HA . 52483 1 306 . 1 . 1 165 165 ARG C C 13 176.26 0.25 . 1 . . . . . 61 ARG C . 52483 1 307 . 1 . 1 165 165 ARG CA C 13 56.37 0.07 . 1 . . . . . 61 ARG CA . 52483 1 308 . 1 . 1 165 165 ARG CB C 13 30.90 0.10 . 1 . . . . . 61 ARG CB . 52483 1 309 . 1 . 1 165 165 ARG N N 15 118.82 0.03 . 1 . . . . . 61 ARG N . 52483 1 310 . 1 . 1 166 166 HIS H H 1 8.34 0.01 . 1 . . . . . 62 HIS H . 52483 1 311 . 1 . 1 166 166 HIS HA H 1 4.63 0.01 . 1 . . . . . 62 HIS HA . 52483 1 312 . 1 . 1 166 166 HIS C C 13 174.62 0.25 . 1 . . . . . 62 HIS C . 52483 1 313 . 1 . 1 166 166 HIS CA C 13 55.71 0.07 . 1 . . . . . 62 HIS CA . 52483 1 314 . 1 . 1 166 166 HIS CB C 13 30.31 0.10 . 1 . . . . . 62 HIS CB . 52483 1 315 . 1 . 1 166 166 HIS N N 15 119.16 0.03 . 1 . . . . . 62 HIS N . 52483 1 316 . 1 . 1 167 167 ALA H H 1 8.28 0.01 . 1 . . . . . 63 ALA H . 52483 1 317 . 1 . 1 167 167 ALA HA H 1 4.30 0.01 . 1 . . . . . 63 ALA HA . 52483 1 318 . 1 . 1 167 167 ALA C C 13 176.94 0.25 . 1 . . . . . 63 ALA C . 52483 1 319 . 1 . 1 167 167 ALA CA C 13 52.30 0.07 . 1 . . . . . 63 ALA CA . 52483 1 320 . 1 . 1 167 167 ALA CB C 13 19.62 0.10 . 1 . . . . . 63 ALA CB . 52483 1 321 . 1 . 1 167 167 ALA N N 15 124.52 0.03 . 1 . . . . . 63 ALA N . 52483 1 322 . 1 . 1 168 168 ALA H H 1 8.32 0.01 . 1 . . . . . 64 ALA H . 52483 1 323 . 1 . 1 168 168 ALA HA H 1 4.57 0.01 . 1 . . . . . 64 ALA HA . 52483 1 324 . 1 . 1 168 168 ALA C C 13 175.11 0.25 . 1 . . . . . 64 ALA C . 52483 1 325 . 1 . 1 168 168 ALA CA C 13 50.50 0.07 . 1 . . . . . 64 ALA CA . 52483 1 326 . 1 . 1 168 168 ALA CB C 13 18.32 0.10 . 1 . . . . . 64 ALA CB . 52483 1 327 . 1 . 1 168 168 ALA N N 15 124.01 0.03 . 1 . . . . . 64 ALA N . 52483 1 328 . 1 . 1 169 169 PRO HA H 1 4.69 0.01 . 1 . . . . . 65 PRO HA . 52483 1 329 . 1 . 1 169 169 PRO C C 13 174.94 0.10 . 1 . . . . . 65 PRO C . 52483 1 330 . 1 . 1 169 169 PRO CA C 13 61.58 0.01 . 1 . . . . . 65 PRO CA . 52483 1 331 . 1 . 1 169 169 PRO CB C 13 30.94 0.01 . 1 . . . . . 65 PRO CB . 52483 1 332 . 1 . 1 169 169 PRO N N 15 135.82 0.04 . 1 . . . . . 65 PRO N . 52483 1 333 . 1 . 1 170 170 PRO HA H 1 4.51 0.01 . 1 . . . . . 66 PRO HA . 52483 1 334 . 1 . 1 170 170 PRO C C 13 177.29 0.25 . 1 . . . . . 66 PRO C . 52483 1 335 . 1 . 1 170 170 PRO CA C 13 63.11 0.07 . 1 . . . . . 66 PRO CA . 52483 1 336 . 1 . 1 170 170 PRO CB C 13 32.25 0.10 . 1 . . . . . 66 PRO CB . 52483 1 337 . 1 . 1 170 170 PRO N N 15 134.27 0.04 . 1 . . . . . 66 PRO N . 52483 1 338 . 1 . 1 171 171 THR H H 1 8.30 0.01 . 1 . . . . . 67 THR H . 52483 1 339 . 1 . 1 171 171 THR HA H 1 4.33 0.01 . 1 . . . . . 67 THR HA . 52483 1 340 . 1 . 1 171 171 THR C C 13 174.73 0.25 . 1 . . . . . 67 THR C . 52483 1 341 . 1 . 1 171 171 THR CA C 13 61.98 0.07 . 1 . . . . . 67 THR CA . 52483 1 342 . 1 . 1 171 171 THR CB C 13 70.00 0.10 . 1 . . . . . 67 THR CB . 52483 1 343 . 1 . 1 171 171 THR N N 15 113.23 0.03 . 1 . . . . . 67 THR N . 52483 1 344 . 1 . 1 172 172 THR H H 1 8.20 0.01 . 1 . . . . . 68 THR H . 52483 1 345 . 1 . 1 172 172 THR HA H 1 4.63 0.01 . 1 . . . . . 68 THR HA . 52483 1 346 . 1 . 1 172 172 THR C C 13 172.89 0.25 . 1 . . . . . 68 THR C . 52483 1 347 . 1 . 1 172 172 THR CA C 13 59.78 0.07 . 1 . . . . . 68 THR CA . 52483 1 348 . 1 . 1 172 172 THR CB C 13 69.88 0.10 . 1 . . . . . 68 THR CB . 52483 1 349 . 1 . 1 172 172 THR N N 15 117.61 0.03 . 1 . . . . . 68 THR N . 52483 1 350 . 1 . 1 173 173 PRO HA H 1 4.42 0.01 . 1 . . . . . 69 PRO HA . 52483 1 351 . 1 . 1 173 173 PRO C C 13 176.54 0.25 . 1 . . . . . 69 PRO C . 52483 1 352 . 1 . 1 173 173 PRO CA C 13 63.38 0.07 . 1 . . . . . 69 PRO CA . 52483 1 353 . 1 . 1 173 173 PRO CB C 13 32.30 0.10 . 1 . . . . . 69 PRO CB . 52483 1 354 . 1 . 1 173 173 PRO N N 15 137.43 0.04 . 1 . . . . . 69 PRO N . 52483 1 355 . 1 . 1 174 174 CYS H H 1 8.60 0.01 . 1 . . . . . 70 CYS H . 52483 1 356 . 1 . 1 174 174 CYS HA H 1 4.70 0.01 . 1 . . . . . 70 CYS HA . 52483 1 357 . 1 . 1 174 174 CYS C C 13 175.03 0.25 . 1 . . . . . 70 CYS C . 52483 1 358 . 1 . 1 174 174 CYS CA C 13 56.07 0.07 . 1 . . . . . 70 CYS CA . 52483 1 359 . 1 . 1 174 174 CYS CB C 13 42.03 0.10 . 1 . . . . . 70 CYS CB . 52483 1 360 . 1 . 1 174 174 CYS N N 15 119.38 0.03 . 1 . . . . . 70 CYS N . 52483 1 361 . 1 . 1 175 175 SER H H 1 8.91 0.01 . 1 . . . . . 71 SER H . 52483 1 362 . 1 . 1 175 175 SER HA H 1 4.60 0.01 . 1 . . . . . 71 SER HA . 52483 1 363 . 1 . 1 175 175 SER C C 13 174.51 0.25 . 1 . . . . . 71 SER C . 52483 1 364 . 1 . 1 175 175 SER CA C 13 58.93 0.07 . 1 . . . . . 71 SER CA . 52483 1 365 . 1 . 1 175 175 SER CB C 13 64.06 0.10 . 1 . . . . . 71 SER CB . 52483 1 366 . 1 . 1 175 175 SER N N 15 119.64 0.03 . 1 . . . . . 71 SER N . 52483 1 367 . 1 . 1 176 176 THR H H 1 7.69 0.01 . 1 . . . . . 72 THR H . 52483 1 368 . 1 . 1 176 176 THR HA H 1 4.58 0.01 . 1 . . . . . 72 THR HA . 52483 1 369 . 1 . 1 176 176 THR C C 13 173.81 0.25 . 1 . . . . . 72 THR C . 52483 1 370 . 1 . 1 176 176 THR CA C 13 60.97 0.07 . 1 . . . . . 72 THR CA . 52483 1 371 . 1 . 1 176 176 THR CB C 13 70.40 0.10 . 1 . . . . . 72 THR CB . 52483 1 372 . 1 . 1 176 176 THR N N 15 112.41 0.03 . 1 . . . . . 72 THR N . 52483 1 373 . 1 . 1 177 177 ASP H H 1 8.44 0.01 . 1 . . . . . 73 ASP H . 52483 1 374 . 1 . 1 177 177 ASP HA H 1 4.42 0.01 . 1 . . . . . 73 ASP HA . 52483 1 375 . 1 . 1 177 177 ASP C C 13 176.44 0.25 . 1 . . . . . 73 ASP C . 52483 1 376 . 1 . 1 177 177 ASP CA C 13 56.40 0.07 . 1 . . . . . 73 ASP CA . 52483 1 377 . 1 . 1 177 177 ASP CB C 13 40.95 0.10 . 1 . . . . . 73 ASP CB . 52483 1 378 . 1 . 1 177 177 ASP N N 15 117.52 0.03 . 1 . . . . . 73 ASP N . 52483 1 379 . 1 . 1 178 178 VAL H H 1 7.82 0.01 . 1 . . . . . 74 VAL H . 52483 1 380 . 1 . 1 178 178 VAL HA H 1 4.18 0.01 . 1 . . . . . 74 VAL HA . 52483 1 381 . 1 . 1 178 178 VAL C C 13 175.82 0.25 . 1 . . . . . 74 VAL C . 52483 1 382 . 1 . 1 178 178 VAL CA C 13 62.11 0.07 . 1 . . . . . 74 VAL CA . 52483 1 383 . 1 . 1 178 178 VAL CB C 13 33.38 0.10 . 1 . . . . . 74 VAL CB . 52483 1 384 . 1 . 1 178 178 VAL N N 15 116.42 0.03 . 1 . . . . . 74 VAL N . 52483 1 385 . 1 . 1 179 179 CYS H H 1 8.61 0.01 . 1 . . . . . 75 CYS H . 52483 1 386 . 1 . 1 179 179 CYS HA H 1 4.79 0.01 . 1 . . . . . 75 CYS HA . 52483 1 387 . 1 . 1 179 179 CYS C C 13 173.47 0.25 . 1 . . . . . 75 CYS C . 52483 1 388 . 1 . 1 179 179 CYS CA C 13 55.59 0.07 . 1 . . . . . 75 CYS CA . 52483 1 389 . 1 . 1 179 179 CYS CB C 13 42.03 0.10 . 1 . . . . . 75 CYS CB . 52483 1 390 . 1 . 1 179 179 CYS N N 15 123.65 0.03 . 1 . . . . . 75 CYS N . 52483 1 391 . 1 . 1 180 180 ASP H H 1 8.05 0.01 . 1 . . . . . 76 ASP H . 52483 1 392 . 1 . 1 180 180 ASP HA H 1 4.38 0.03 . 1 . . . . . 76 ASP HA . 52483 1 393 . 1 . 1 180 180 ASP C C 13 180.85 0.25 . 1 . . . . . 76 ASP C . 52483 1 394 . 1 . 1 180 180 ASP CA C 13 55.98 0.07 . 1 . . . . . 76 ASP CA . 52483 1 395 . 1 . 1 180 180 ASP CB C 13 42.24 0.10 . 1 . . . . . 76 ASP CB . 52483 1 396 . 1 . 1 180 180 ASP N N 15 126.46 0.03 . 1 . . . . . 76 ASP N . 52483 1 stop_ save_