data_52325 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52325 _Entry.Title ; An extended interaction site determines binding between AP180 and AP2 in clathrin mediated endocytosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-02-16 _Entry.Accession_date 2024-02-16 _Entry.Last_release_date 2024-02-16 _Entry.Original_release_date 2024-02-16 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Monomeric clathrin assembly protein AP180, residues 540-740' _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 Samuel Naudi-Fabra . . . 0000-0003-1080-649X 52325 2 Carlos Elena-Real . A. . 0000-0001-8244-5676 52325 3 Ida Vedel . M. . 0000-0002-3465-4796 52325 4 Maud Tengo . . . . 52325 5 Kathrin Motzny . . . . 52325 6 Pin-Lian Jiang . . . . 52325 7 Peter Schmieder . . . 0000-0001-9968-9327 52325 8 Fan Liu . . . 0000-0002-2358-549X 52325 9 Sigrid Milles . . . 0000-0001-9362-9606 52325 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Milles group; Institute for Structural Biology, Grenoble, France.' . 52325 2 . 'Milles group; Leibniz Research Institute for Molecular Pharmacology, Berlin, Germany' . 52325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 243 52325 '15N chemical shifts' 125 52325 '1H chemical shifts' 125 52325 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-07-18 2024-02-16 update BMRB 'update entry citation' 52325 1 . . 2024-06-25 2024-02-16 original author 'original release' 52325 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52320 'AP2B2, Beta-2 subunit of the heterotetrameric AP2 adaptor' 52325 BMRB 52322 'Monomeric clathrin assembly protein AP180, residues 281-500' 52325 BMRB 52323 'Monomeric clathrin assembly protein AP180, residues 399-598' 52325 BMRB 52324 'Monomeric clathrin assembly protein AP180, residues 471-700' 52325 BMRB 52326 'Monomeric clathrin assembly protein AP180, residues 720-898' 52325 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52325 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39003270 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; An extended interaction site determines binding between AP180 and AP2 in clathrin mediated endocytosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 15 _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 5884 _Citation.Page_last 5884 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samuel Naudi-Fabra . . . . 52325 1 2 Carlos Elena-Real . A. . . 52325 1 3 Ida Vedel . M. . . 52325 1 4 Maud Tengo . . . . 52325 1 5 Kathrin Motzny . . . . 52325 1 6 Pin-Lian Jiang . . . . 52325 1 7 Peter Schmieder . . . . 52325 1 8 Fan Liu . . . . 52325 1 9 Sigrid Milles . . . . 52325 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Clathrin Mediated Endocytosis' 52325 1 'Intrinsically Disordered Proteins' 52325 1 'Nuclear Magnetic Resonance' 52325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52325 _Assembly.ID 1 _Assembly.Name 'AP180 540-740' _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 19439.29 _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 'AP180 540-740' 1 $entity_1 . . yes native no no . . . 52325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52325 _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 ; AAATTTATTSAAAAATAAAP PALDIFGDLFDSAPEVAAAS KPDVAPSIDLFGTDAFSSPP RGASPVPESSLTADLLSVDA FAAPSPASTASPAKAESSGV IDLFGDAFGSSASETQPAPQ AVSSSSASADLLAGFGGSFM APSTTPVTPAQNNLLQPNFE AAFGTTPSTSSSSSFDPSGD LLMPTMAPSGQPAPVSMVPP S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 201 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19439.29 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The molecule does not exist in a specific conformational state, as it is an intrinsically disordered protein.' _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 0 ALA . 52325 1 2 1 ALA . 52325 1 3 2 ALA . 52325 1 4 3 THR . 52325 1 5 4 THR . 52325 1 6 5 THR . 52325 1 7 6 ALA . 52325 1 8 7 THR . 52325 1 9 8 THR . 52325 1 10 9 SER . 52325 1 11 10 ALA . 52325 1 12 11 ALA . 52325 1 13 12 ALA . 52325 1 14 13 ALA . 52325 1 15 14 ALA . 52325 1 16 15 THR . 52325 1 17 16 ALA . 52325 1 18 17 ALA . 52325 1 19 18 ALA . 52325 1 20 19 PRO . 52325 1 21 20 PRO . 52325 1 22 21 ALA . 52325 1 23 22 LEU . 52325 1 24 23 ASP . 52325 1 25 24 ILE . 52325 1 26 25 PHE . 52325 1 27 26 GLY . 52325 1 28 27 ASP . 52325 1 29 28 LEU . 52325 1 30 29 PHE . 52325 1 31 30 ASP . 52325 1 32 31 SER . 52325 1 33 32 ALA . 52325 1 34 33 PRO . 52325 1 35 34 GLU . 52325 1 36 35 VAL . 52325 1 37 36 ALA . 52325 1 38 37 ALA . 52325 1 39 38 ALA . 52325 1 40 39 SER . 52325 1 41 40 LYS . 52325 1 42 41 PRO . 52325 1 43 42 ASP . 52325 1 44 43 VAL . 52325 1 45 44 ALA . 52325 1 46 45 PRO . 52325 1 47 46 SER . 52325 1 48 47 ILE . 52325 1 49 48 ASP . 52325 1 50 49 LEU . 52325 1 51 50 PHE . 52325 1 52 51 GLY . 52325 1 53 52 THR . 52325 1 54 53 ASP . 52325 1 55 54 ALA . 52325 1 56 55 PHE . 52325 1 57 56 SER . 52325 1 58 57 SER . 52325 1 59 58 PRO . 52325 1 60 59 PRO . 52325 1 61 60 ARG . 52325 1 62 61 GLY . 52325 1 63 62 ALA . 52325 1 64 63 SER . 52325 1 65 64 PRO . 52325 1 66 65 VAL . 52325 1 67 66 PRO . 52325 1 68 67 GLU . 52325 1 69 68 SER . 52325 1 70 69 SER . 52325 1 71 70 LEU . 52325 1 72 71 THR . 52325 1 73 72 ALA . 52325 1 74 73 ASP . 52325 1 75 74 LEU . 52325 1 76 75 LEU . 52325 1 77 76 SER . 52325 1 78 77 VAL . 52325 1 79 78 ASP . 52325 1 80 79 ALA . 52325 1 81 80 PHE . 52325 1 82 81 ALA . 52325 1 83 82 ALA . 52325 1 84 83 PRO . 52325 1 85 84 SER . 52325 1 86 85 PRO . 52325 1 87 86 ALA . 52325 1 88 87 SER . 52325 1 89 88 THR . 52325 1 90 89 ALA . 52325 1 91 90 SER . 52325 1 92 91 PRO . 52325 1 93 92 ALA . 52325 1 94 93 LYS . 52325 1 95 94 ALA . 52325 1 96 95 GLU . 52325 1 97 96 SER . 52325 1 98 97 SER . 52325 1 99 98 GLY . 52325 1 100 99 VAL . 52325 1 101 100 ILE . 52325 1 102 101 ASP . 52325 1 103 102 LEU . 52325 1 104 103 PHE . 52325 1 105 104 GLY . 52325 1 106 105 ASP . 52325 1 107 106 ALA . 52325 1 108 107 PHE . 52325 1 109 108 GLY . 52325 1 110 109 SER . 52325 1 111 110 SER . 52325 1 112 111 ALA . 52325 1 113 112 SER . 52325 1 114 113 GLU . 52325 1 115 114 THR . 52325 1 116 115 GLN . 52325 1 117 116 PRO . 52325 1 118 117 ALA . 52325 1 119 118 PRO . 52325 1 120 119 GLN . 52325 1 121 120 ALA . 52325 1 122 121 VAL . 52325 1 123 122 SER . 52325 1 124 123 SER . 52325 1 125 124 SER . 52325 1 126 125 SER . 52325 1 127 126 ALA . 52325 1 128 127 SER . 52325 1 129 128 ALA . 52325 1 130 129 ASP . 52325 1 131 130 LEU . 52325 1 132 131 LEU . 52325 1 133 132 ALA . 52325 1 134 133 GLY . 52325 1 135 134 PHE . 52325 1 136 135 GLY . 52325 1 137 136 GLY . 52325 1 138 137 SER . 52325 1 139 138 PHE . 52325 1 140 139 MET . 52325 1 141 140 ALA . 52325 1 142 141 PRO . 52325 1 143 142 SER . 52325 1 144 143 THR . 52325 1 145 144 THR . 52325 1 146 145 PRO . 52325 1 147 146 VAL . 52325 1 148 147 THR . 52325 1 149 148 PRO . 52325 1 150 149 ALA . 52325 1 151 150 GLN . 52325 1 152 151 ASN . 52325 1 153 152 ASN . 52325 1 154 153 LEU . 52325 1 155 154 LEU . 52325 1 156 155 GLN . 52325 1 157 156 PRO . 52325 1 158 157 ASN . 52325 1 159 158 PHE . 52325 1 160 159 GLU . 52325 1 161 160 ALA . 52325 1 162 161 ALA . 52325 1 163 162 PHE . 52325 1 164 163 GLY . 52325 1 165 164 THR . 52325 1 166 165 THR . 52325 1 167 166 PRO . 52325 1 168 167 SER . 52325 1 169 168 THR . 52325 1 170 169 SER . 52325 1 171 170 SER . 52325 1 172 171 SER . 52325 1 173 172 SER . 52325 1 174 173 SER . 52325 1 175 174 PHE . 52325 1 176 175 ASP . 52325 1 177 176 PRO . 52325 1 178 177 SER . 52325 1 179 178 GLY . 52325 1 180 179 ASP . 52325 1 181 180 LEU . 52325 1 182 181 LEU . 52325 1 183 182 MET . 52325 1 184 183 PRO . 52325 1 185 184 THR . 52325 1 186 185 MET . 52325 1 187 186 ALA . 52325 1 188 187 PRO . 52325 1 189 188 SER . 52325 1 190 189 GLY . 52325 1 191 190 GLN . 52325 1 192 191 PRO . 52325 1 193 192 ALA . 52325 1 194 193 PRO . 52325 1 195 194 VAL . 52325 1 196 195 SER . 52325 1 197 196 MET . 52325 1 198 197 VAL . 52325 1 199 198 PRO . 52325 1 200 199 PRO . 52325 1 201 200 SER . 52325 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 52325 1 . ALA 2 2 52325 1 . ALA 3 3 52325 1 . THR 4 4 52325 1 . THR 5 5 52325 1 . THR 6 6 52325 1 . ALA 7 7 52325 1 . THR 8 8 52325 1 . THR 9 9 52325 1 . SER 10 10 52325 1 . ALA 11 11 52325 1 . ALA 12 12 52325 1 . ALA 13 13 52325 1 . ALA 14 14 52325 1 . ALA 15 15 52325 1 . THR 16 16 52325 1 . ALA 17 17 52325 1 . ALA 18 18 52325 1 . ALA 19 19 52325 1 . PRO 20 20 52325 1 . PRO 21 21 52325 1 . ALA 22 22 52325 1 . LEU 23 23 52325 1 . ASP 24 24 52325 1 . ILE 25 25 52325 1 . PHE 26 26 52325 1 . GLY 27 27 52325 1 . ASP 28 28 52325 1 . LEU 29 29 52325 1 . PHE 30 30 52325 1 . ASP 31 31 52325 1 . SER 32 32 52325 1 . ALA 33 33 52325 1 . PRO 34 34 52325 1 . GLU 35 35 52325 1 . VAL 36 36 52325 1 . ALA 37 37 52325 1 . ALA 38 38 52325 1 . ALA 39 39 52325 1 . SER 40 40 52325 1 . LYS 41 41 52325 1 . PRO 42 42 52325 1 . ASP 43 43 52325 1 . VAL 44 44 52325 1 . ALA 45 45 52325 1 . PRO 46 46 52325 1 . SER 47 47 52325 1 . ILE 48 48 52325 1 . ASP 49 49 52325 1 . LEU 50 50 52325 1 . PHE 51 51 52325 1 . GLY 52 52 52325 1 . THR 53 53 52325 1 . ASP 54 54 52325 1 . ALA 55 55 52325 1 . PHE 56 56 52325 1 . SER 57 57 52325 1 . SER 58 58 52325 1 . PRO 59 59 52325 1 . PRO 60 60 52325 1 . ARG 61 61 52325 1 . GLY 62 62 52325 1 . ALA 63 63 52325 1 . SER 64 64 52325 1 . PRO 65 65 52325 1 . VAL 66 66 52325 1 . PRO 67 67 52325 1 . GLU 68 68 52325 1 . SER 69 69 52325 1 . SER 70 70 52325 1 . LEU 71 71 52325 1 . THR 72 72 52325 1 . ALA 73 73 52325 1 . ASP 74 74 52325 1 . LEU 75 75 52325 1 . LEU 76 76 52325 1 . SER 77 77 52325 1 . VAL 78 78 52325 1 . ASP 79 79 52325 1 . ALA 80 80 52325 1 . PHE 81 81 52325 1 . ALA 82 82 52325 1 . ALA 83 83 52325 1 . PRO 84 84 52325 1 . SER 85 85 52325 1 . PRO 86 86 52325 1 . ALA 87 87 52325 1 . SER 88 88 52325 1 . THR 89 89 52325 1 . ALA 90 90 52325 1 . SER 91 91 52325 1 . PRO 92 92 52325 1 . ALA 93 93 52325 1 . LYS 94 94 52325 1 . ALA 95 95 52325 1 . GLU 96 96 52325 1 . SER 97 97 52325 1 . SER 98 98 52325 1 . GLY 99 99 52325 1 . VAL 100 100 52325 1 . ILE 101 101 52325 1 . ASP 102 102 52325 1 . LEU 103 103 52325 1 . PHE 104 104 52325 1 . GLY 105 105 52325 1 . ASP 106 106 52325 1 . ALA 107 107 52325 1 . PHE 108 108 52325 1 . GLY 109 109 52325 1 . SER 110 110 52325 1 . SER 111 111 52325 1 . ALA 112 112 52325 1 . SER 113 113 52325 1 . GLU 114 114 52325 1 . THR 115 115 52325 1 . GLN 116 116 52325 1 . PRO 117 117 52325 1 . ALA 118 118 52325 1 . PRO 119 119 52325 1 . GLN 120 120 52325 1 . ALA 121 121 52325 1 . VAL 122 122 52325 1 . SER 123 123 52325 1 . SER 124 124 52325 1 . SER 125 125 52325 1 . SER 126 126 52325 1 . ALA 127 127 52325 1 . SER 128 128 52325 1 . ALA 129 129 52325 1 . ASP 130 130 52325 1 . LEU 131 131 52325 1 . LEU 132 132 52325 1 . ALA 133 133 52325 1 . GLY 134 134 52325 1 . PHE 135 135 52325 1 . GLY 136 136 52325 1 . GLY 137 137 52325 1 . SER 138 138 52325 1 . PHE 139 139 52325 1 . MET 140 140 52325 1 . ALA 141 141 52325 1 . PRO 142 142 52325 1 . SER 143 143 52325 1 . THR 144 144 52325 1 . THR 145 145 52325 1 . PRO 146 146 52325 1 . VAL 147 147 52325 1 . THR 148 148 52325 1 . PRO 149 149 52325 1 . ALA 150 150 52325 1 . GLN 151 151 52325 1 . ASN 152 152 52325 1 . ASN 153 153 52325 1 . LEU 154 154 52325 1 . LEU 155 155 52325 1 . GLN 156 156 52325 1 . PRO 157 157 52325 1 . ASN 158 158 52325 1 . PHE 159 159 52325 1 . GLU 160 160 52325 1 . ALA 161 161 52325 1 . ALA 162 162 52325 1 . PHE 163 163 52325 1 . GLY 164 164 52325 1 . THR 165 165 52325 1 . THR 166 166 52325 1 . PRO 167 167 52325 1 . SER 168 168 52325 1 . THR 169 169 52325 1 . SER 170 170 52325 1 . SER 171 171 52325 1 . SER 172 172 52325 1 . SER 173 173 52325 1 . SER 174 174 52325 1 . PHE 175 175 52325 1 . ASP 176 176 52325 1 . PRO 177 177 52325 1 . SER 178 178 52325 1 . GLY 179 179 52325 1 . ASP 180 180 52325 1 . LEU 181 181 52325 1 . LEU 182 182 52325 1 . MET 183 183 52325 1 . PRO 184 184 52325 1 . THR 185 185 52325 1 . MET 186 186 52325 1 . ALA 187 187 52325 1 . PRO 188 188 52325 1 . SER 189 189 52325 1 . GLY 190 190 52325 1 . GLN 191 191 52325 1 . PRO 192 192 52325 1 . ALA 193 193 52325 1 . PRO 194 194 52325 1 . VAL 195 195 52325 1 . SER 196 196 52325 1 . MET 197 197 52325 1 . VAL 198 198 52325 1 . PRO 199 199 52325 1 . PRO 200 200 52325 1 . SER 201 201 52325 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 52325 _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 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 52325 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 52325 _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 'Rosetta TM (DE3)' . . plasmid . . pET-28 . . . 52325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 52325 _Sample.ID 1 _Sample.Name 'AP180 540-740' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Monomeric Clathrin Assembly Protein AP180, residues 540-740' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 52325 1 2 Na-phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 52325 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52325 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 52325 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 52325 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pH6, 25C' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.375 . M 52325 1 pH 6 . pH 52325 1 pressure 1 . atm 52325 1 temperature 298.15 . K 52325 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52325 _Software.ID 1 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52325 1 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 52325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52325 _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_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 1 4 '3D iHNCA' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 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 52325 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H-15N-13C AP180 540-740' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25144953 . . . . . 52325 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52325 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 52325 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 52325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AP180 540-740' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52325 1 2 '3D HNCO' . . . 52325 1 3 '3D HN(CA)CO' . . . 52325 1 4 '3D iHNCA' . . . 52325 1 5 '3D HN(CO)CA' . . . 52325 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52325 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 2 2 ALA H H 1 8.282 . . . . . . . . 1 A HN . 52325 1 2 . 1 . 1 2 2 ALA C C 13 177.860 . . . . . . . . 1 A CO . 52325 1 3 . 1 . 1 2 2 ALA CA C 13 52.863 . . . . . . . . 1 A CA . 52325 1 4 . 1 . 1 2 2 ALA N N 15 125.780 . . . . . . . . 1 A N . 52325 1 5 . 1 . 1 3 3 ALA H H 1 8.187 . . . . . . . . 2 A HN . 52325 1 6 . 1 . 1 3 3 ALA C C 13 177.909 . . . . . . . . 2 A CO . 52325 1 7 . 1 . 1 3 3 ALA CA C 13 52.693 . . . . . . . . 2 A CA . 52325 1 8 . 1 . 1 3 3 ALA N N 15 122.902 . . . . . . . . 2 A N . 52325 1 9 . 1 . 1 4 4 THR H H 1 8.291 . . . . . . . . 3 T HN . 52325 1 10 . 1 . 1 4 4 THR C C 13 174.729 . . . . . . . . 3 T CO . 52325 1 11 . 1 . 1 4 4 THR CA C 13 61.716 . . . . . . . . 3 T CA . 52325 1 12 . 1 . 1 4 4 THR N N 15 114.061 . . . . . . . . 3 T N . 52325 1 13 . 1 . 1 5 5 THR H H 1 8.253 . . . . . . . . 4 T HN . 52325 1 14 . 1 . 1 5 5 THR C C 13 174.605 . . . . . . . . 4 T CO . 52325 1 15 . 1 . 1 5 5 THR CA C 13 61.647 . . . . . . . . 4 T CA . 52325 1 16 . 1 . 1 5 5 THR N N 15 116.508 . . . . . . . . 4 T N . 52325 1 17 . 1 . 1 6 6 THR H H 1 8.217 . . . . . . . . 5 T HN . 52325 1 18 . 1 . 1 6 6 THR C C 13 174.267 . . . . . . . . 5 T CO . 52325 1 19 . 1 . 1 6 6 THR CA C 13 61.903 . . . . . . . . 5 T CA . 52325 1 20 . 1 . 1 6 6 THR N N 15 116.767 . . . . . . . . 5 T N . 52325 1 21 . 1 . 1 7 7 ALA H H 1 8.391 . . . . . . . . 6 A HN . 52325 1 22 . 1 . 1 7 7 ALA C C 13 177.966 . . . . . . . . 6 A CO . 52325 1 23 . 1 . 1 7 7 ALA CA C 13 52.731 . . . . . . . . 6 A CA . 52325 1 24 . 1 . 1 7 7 ALA N N 15 126.813 . . . . . . . . 6 A N . 52325 1 25 . 1 . 1 8 8 THR H H 1 8.210 . . . . . . . . 7 T HN . 52325 1 26 . 1 . 1 8 8 THR C C 13 174.923 . . . . . . . . 7 T CO . 52325 1 27 . 1 . 1 8 8 THR CA C 13 61.928 . . . . . . . . 7 T CA . 52325 1 28 . 1 . 1 8 8 THR N N 15 113.655 . . . . . . . . 7 T N . 52325 1 29 . 1 . 1 9 9 THR H H 1 8.145 . . . . . . . . 8 T HN . 52325 1 30 . 1 . 1 9 9 THR C C 13 174.689 . . . . . . . . 8 T CO . 52325 1 31 . 1 . 1 9 9 THR CA C 13 61.876 . . . . . . . . 8 T CA . 52325 1 32 . 1 . 1 9 9 THR N N 15 116.144 . . . . . . . . 8 T N . 52325 1 33 . 1 . 1 10 10 SER H H 1 8.360 . . . . . . . . 9 S HN . 52325 1 34 . 1 . 1 10 10 SER C C 13 174.568 . . . . . . . . 9 S CO . 52325 1 35 . 1 . 1 10 10 SER CA C 13 58.613 . . . . . . . . 9 S CA . 52325 1 36 . 1 . 1 10 10 SER N N 15 118.310 . . . . . . . . 9 S N . 52325 1 37 . 1 . 1 23 23 LEU H H 1 8.032 . . . . . . . . 22 L HN . 52325 1 38 . 1 . 1 23 23 LEU CA C 13 55.436 . . . . . . . . 22 L CA . 52325 1 39 . 1 . 1 23 23 LEU N N 15 115.256 . . . . . . . . 22 L N . 52325 1 40 . 1 . 1 24 24 ASP H H 1 8.107 . . . . . . . . 23 D HN . 52325 1 41 . 1 . 1 24 24 ASP C C 13 177.232 . . . . . . . . 23 D CO . 52325 1 42 . 1 . 1 24 24 ASP CA C 13 55.404 . . . . . . . . 23 D CA . 52325 1 43 . 1 . 1 24 24 ASP N N 15 121.563 . . . . . . . . 23 D N . 52325 1 44 . 1 . 1 25 25 ILE H H 1 8.189 . . . . . . . . 24 I HN . 52325 1 45 . 1 . 1 25 25 ILE C C 13 176.385 . . . . . . . . 24 I CO . 52325 1 46 . 1 . 1 25 25 ILE CA C 13 59.972 . . . . . . . . 24 I CA . 52325 1 47 . 1 . 1 25 25 ILE N N 15 119.399 . . . . . . . . 24 I N . 52325 1 48 . 1 . 1 31 31 ASP H H 1 8.205 . . . . . . . . 30 D HN . 52325 1 49 . 1 . 1 31 31 ASP C C 13 175.894 . . . . . . . . 30 D CO . 52325 1 50 . 1 . 1 31 31 ASP CA C 13 54.284 . . . . . . . . 30 D CA . 52325 1 51 . 1 . 1 31 31 ASP N N 15 121.665 . . . . . . . . 30 D N . 52325 1 52 . 1 . 1 32 32 SER H H 1 8.077 . . . . . . . . 31 S HN . 52325 1 53 . 1 . 1 32 32 SER C C 13 173.811 . . . . . . . . 31 S CO . 52325 1 54 . 1 . 1 32 32 SER CA C 13 58.089 . . . . . . . . 31 S CA . 52325 1 55 . 1 . 1 32 32 SER N N 15 115.969 . . . . . . . . 31 S N . 52325 1 56 . 1 . 1 33 33 ALA H H 1 8.300 . . . . . . . . 32 A HN . 52325 1 57 . 1 . 1 33 33 ALA C C 13 175.506 . . . . . . . . 32 A CO . 52325 1 58 . 1 . 1 33 33 ALA CA C 13 50.897 . . . . . . . . 32 A CA . 52325 1 59 . 1 . 1 33 33 ALA N N 15 127.044 . . . . . . . . 32 A N . 52325 1 60 . 1 . 1 35 35 GLU H H 1 8.549 . . . . . . . . 34 E HN . 52325 1 61 . 1 . 1 35 35 GLU C C 13 176.749 . . . . . . . . 34 E CO . 52325 1 62 . 1 . 1 35 35 GLU CA C 13 56.887 . . . . . . . . 34 E CA . 52325 1 63 . 1 . 1 35 35 GLU N N 15 120.811 . . . . . . . . 34 E N . 52325 1 64 . 1 . 1 36 36 VAL H H 1 8.092 . . . . . . . . 35 V HN . 52325 1 65 . 1 . 1 36 36 VAL C C 13 176.046 . . . . . . . . 35 V CO . 52325 1 66 . 1 . 1 36 36 VAL CA C 13 62.375 . . . . . . . . 35 V CA . 52325 1 67 . 1 . 1 36 36 VAL N N 15 121.562 . . . . . . . . 35 V N . 52325 1 68 . 1 . 1 37 37 ALA H H 1 8.320 . . . . . . . . 36 A HN . 52325 1 69 . 1 . 1 37 37 ALA C C 13 177.621 . . . . . . . . 36 A CO . 52325 1 70 . 1 . 1 37 37 ALA CA C 13 52.633 . . . . . . . . 36 A CA . 52325 1 71 . 1 . 1 37 37 ALA N N 15 127.662 . . . . . . . . 36 A N . 52325 1 72 . 1 . 1 38 38 ALA H H 1 8.217 . . . . . . . . 37 A HN . 52325 1 73 . 1 . 1 38 38 ALA C C 13 177.635 . . . . . . . . 37 A CO . 52325 1 74 . 1 . 1 38 38 ALA CA C 13 52.658 . . . . . . . . 37 A CA . 52325 1 75 . 1 . 1 38 38 ALA N N 15 123.388 . . . . . . . . 37 A N . 52325 1 76 . 1 . 1 39 39 ALA H H 1 8.173 . . . . . . . . 38 A HN . 52325 1 77 . 1 . 1 39 39 ALA C C 13 177.874 . . . . . . . . 38 A CO . 52325 1 78 . 1 . 1 39 39 ALA CA C 13 52.665 . . . . . . . . 38 A CA . 52325 1 79 . 1 . 1 39 39 ALA N N 15 122.900 . . . . . . . . 38 A N . 52325 1 80 . 1 . 1 40 40 SER H H 1 8.181 . . . . . . . . 39 S HN . 52325 1 81 . 1 . 1 40 40 SER C C 13 174.760 . . . . . . . . 39 S CO . 52325 1 82 . 1 . 1 40 40 SER CA C 13 58.367 . . . . . . . . 39 S CA . 52325 1 83 . 1 . 1 40 40 SER N N 15 114.772 . . . . . . . . 39 S N . 52325 1 84 . 1 . 1 41 41 LYS H H 1 8.269 . . . . . . . . 40 K HN . 52325 1 85 . 1 . 1 41 41 LYS C C 13 174.608 . . . . . . . . 40 K CO . 52325 1 86 . 1 . 1 41 41 LYS CA C 13 54.319 . . . . . . . . 40 K CA . 52325 1 87 . 1 . 1 41 41 LYS N N 15 124.193 . . . . . . . . 40 K N . 52325 1 88 . 1 . 1 43 43 ASP H H 1 8.450 . . . . . . . . 42 D HN . 52325 1 89 . 1 . 1 43 43 ASP C C 13 175.991 . . . . . . . . 42 D CO . 52325 1 90 . 1 . 1 43 43 ASP CA C 13 54.456 . . . . . . . . 42 D CA . 52325 1 91 . 1 . 1 43 43 ASP N N 15 120.756 . . . . . . . . 42 D N . 52325 1 92 . 1 . 1 44 44 VAL H H 1 7.952 . . . . . . . . 43 V HN . 52325 1 93 . 1 . 1 44 44 VAL C C 13 175.402 . . . . . . . . 43 V CO . 52325 1 94 . 1 . 1 44 44 VAL CA C 13 61.670 . . . . . . . . 43 V CA . 52325 1 95 . 1 . 1 44 44 VAL N N 15 119.720 . . . . . . . . 43 V N . 52325 1 96 . 1 . 1 50 50 LEU H H 1 8.215 . . . . . . . . 49 L HN . 52325 1 97 . 1 . 1 50 50 LEU C C 13 177.668 . . . . . . . . 49 L CO . 52325 1 98 . 1 . 1 50 50 LEU N N 15 123.699 . . . . . . . . 49 L N . 52325 1 99 . 1 . 1 51 51 PHE H H 1 8.165 . . . . . . . . 50 F HN . 52325 1 100 . 1 . 1 51 51 PHE C C 13 176.527 . . . . . . . . 50 F CO . 52325 1 101 . 1 . 1 51 51 PHE CA C 13 58.024 . . . . . . . . 50 F CA . 52325 1 102 . 1 . 1 51 51 PHE N N 15 118.564 . . . . . . . . 50 F N . 52325 1 103 . 1 . 1 52 52 GLY H H 1 8.221 . . . . . . . . 51 G HN . 52325 1 104 . 1 . 1 52 52 GLY C C 13 174.499 . . . . . . . . 51 G CO . 52325 1 105 . 1 . 1 52 52 GLY CA C 13 45.333 . . . . . . . . 51 G CA . 52325 1 106 . 1 . 1 52 52 GLY N N 15 110.057 . . . . . . . . 51 G N . 52325 1 107 . 1 . 1 53 53 THR H H 1 8.078 . . . . . . . . 52 T HN . 52325 1 108 . 1 . 1 53 53 THR C C 13 174.580 . . . . . . . . 52 T CO . 52325 1 109 . 1 . 1 53 53 THR CA C 13 61.997 . . . . . . . . 52 T CA . 52325 1 110 . 1 . 1 53 53 THR N N 15 113.071 . . . . . . . . 52 T N . 52325 1 111 . 1 . 1 54 54 ASP H H 1 8.425 . . . . . . . . 53 D HN . 52325 1 112 . 1 . 1 54 54 ASP C C 13 176.174 . . . . . . . . 53 D CO . 52325 1 113 . 1 . 1 54 54 ASP CA C 13 54.508 . . . . . . . . 53 D CA . 52325 1 114 . 1 . 1 54 54 ASP N N 15 122.351 . . . . . . . . 53 D N . 52325 1 115 . 1 . 1 55 55 ALA H H 1 8.128 . . . . . . . . 54 A HN . 52325 1 116 . 1 . 1 55 55 ALA C C 13 177.491 . . . . . . . . 54 A CO . 52325 1 117 . 1 . 1 55 55 ALA CA C 13 53.000 . . . . . . . . 54 A CA . 52325 1 118 . 1 . 1 55 55 ALA N N 15 124.404 . . . . . . . . 54 A N . 52325 1 119 . 1 . 1 56 56 PHE H H 1 8.081 . . . . . . . . 55 F HN . 52325 1 120 . 1 . 1 56 56 PHE C C 13 175.817 . . . . . . . . 55 F CO . 52325 1 121 . 1 . 1 56 56 PHE CA C 13 57.818 . . . . . . . . 55 F CA . 52325 1 122 . 1 . 1 56 56 PHE N N 15 118.028 . . . . . . . . 55 F N . 52325 1 123 . 1 . 1 57 57 SER H H 1 8.023 . . . . . . . . 56 S HN . 52325 1 124 . 1 . 1 57 57 SER C C 13 173.918 . . . . . . . . 56 S CO . 52325 1 125 . 1 . 1 57 57 SER CA C 13 58.238 . . . . . . . . 56 S CA . 52325 1 126 . 1 . 1 57 57 SER N N 15 116.715 . . . . . . . . 56 S N . 52325 1 127 . 1 . 1 58 58 SER H H 1 8.186 . . . . . . . . 57 S HN . 52325 1 128 . 1 . 1 58 58 SER C C 13 177.902 . . . . . . . . 57 S CO . 52325 1 129 . 1 . 1 58 58 SER CA C 13 56.539 . . . . . . . . 57 S CA . 52325 1 130 . 1 . 1 58 58 SER N N 15 118.720 . . . . . . . . 57 S N . 52325 1 131 . 1 . 1 61 61 ARG H H 1 8.477 . . . . . . . . 60 R HN . 52325 1 132 . 1 . 1 61 61 ARG C C 13 176.966 . . . . . . . . 60 R CO . 52325 1 133 . 1 . 1 61 61 ARG CA C 13 56.208 . . . . . . . . 60 R CA . 52325 1 134 . 1 . 1 61 61 ARG N N 15 121.594 . . . . . . . . 60 R N . 52325 1 135 . 1 . 1 62 62 GLY H H 1 8.416 . . . . . . . . 61 G HN . 52325 1 136 . 1 . 1 62 62 GLY C C 13 173.583 . . . . . . . . 61 G CO . 52325 1 137 . 1 . 1 62 62 GLY CA C 13 45.237 . . . . . . . . 61 G CA . 52325 1 138 . 1 . 1 62 62 GLY N N 15 110.291 . . . . . . . . 61 G N . 52325 1 139 . 1 . 1 63 63 ALA H H 1 8.181 . . . . . . . . 62 A HN . 52325 1 140 . 1 . 1 63 63 ALA C C 13 177.629 . . . . . . . . 62 A CO . 52325 1 141 . 1 . 1 63 63 ALA CA C 13 51.935 . . . . . . . . 62 A CA . 52325 1 142 . 1 . 1 63 63 ALA N N 15 123.716 . . . . . . . . 62 A N . 52325 1 143 . 1 . 1 64 64 SER H H 1 8.177 . . . . . . . . 63 S HN . 52325 1 144 . 1 . 1 64 64 SER C C 13 174.007 . . . . . . . . 63 S CO . 52325 1 145 . 1 . 1 64 64 SER CA C 13 58.269 . . . . . . . . 63 S CA . 52325 1 146 . 1 . 1 64 64 SER N N 15 115.147 . . . . . . . . 63 S N . 52325 1 147 . 1 . 1 68 68 GLU H H 1 8.622 . . . . . . . . 67 E HN . 52325 1 148 . 1 . 1 68 68 GLU C C 13 176.864 . . . . . . . . 67 E CO . 52325 1 149 . 1 . 1 68 68 GLU CA C 13 57.185 . . . . . . . . 67 E CA . 52325 1 150 . 1 . 1 68 68 GLU N N 15 121.794 . . . . . . . . 67 E N . 52325 1 151 . 1 . 1 69 69 SER H H 1 8.346 . . . . . . . . 68 S HN . 52325 1 152 . 1 . 1 69 69 SER C C 13 174.713 . . . . . . . . 68 S CO . 52325 1 153 . 1 . 1 69 69 SER CA C 13 58.441 . . . . . . . . 68 S CA . 52325 1 154 . 1 . 1 69 69 SER N N 15 116.332 . . . . . . . . 68 S N . 52325 1 155 . 1 . 1 70 70 SER H H 1 8.371 . . . . . . . . 69 S HN . 52325 1 156 . 1 . 1 70 70 SER C C 13 174.641 . . . . . . . . 69 S CO . 52325 1 157 . 1 . 1 70 70 SER CA C 13 58.570 . . . . . . . . 69 S CA . 52325 1 158 . 1 . 1 70 70 SER N N 15 117.762 . . . . . . . . 69 S N . 52325 1 159 . 1 . 1 71 71 LEU H H 1 8.198 . . . . . . . . 70 L HN . 52325 1 160 . 1 . 1 71 71 LEU C C 13 177.635 . . . . . . . . 70 L CO . 52325 1 161 . 1 . 1 71 71 LEU CA C 13 55.590 . . . . . . . . 70 L CA . 52325 1 162 . 1 . 1 71 71 LEU N N 15 123.710 . . . . . . . . 70 L N . 52325 1 163 . 1 . 1 72 72 THR H H 1 7.951 . . . . . . . . 71 T HN . 52325 1 164 . 1 . 1 72 72 THR C C 13 174.521 . . . . . . . . 71 T CO . 52325 1 165 . 1 . 1 72 72 THR CA C 13 61.783 . . . . . . . . 71 T CA . 52325 1 166 . 1 . 1 72 72 THR N N 15 113.808 . . . . . . . . 71 T N . 52325 1 167 . 1 . 1 73 73 ALA H H 1 8.321 . . . . . . . . 72 A HN . 52325 1 168 . 1 . 1 73 73 ALA C C 13 177.429 . . . . . . . . 72 A CO . 52325 1 169 . 1 . 1 73 73 ALA CA C 13 52.494 . . . . . . . . 72 A CA . 52325 1 170 . 1 . 1 73 73 ALA N N 15 124.334 . . . . . . . . 72 A N . 52325 1 171 . 1 . 1 74 74 ASP H H 1 8.077 . . . . . . . . 73 D HN . 52325 1 172 . 1 . 1 74 74 ASP C C 13 175.700 . . . . . . . . 73 D CO . 52325 1 173 . 1 . 1 74 74 ASP N N 15 117.834 . . . . . . . . 73 D N . 52325 1 174 . 1 . 1 75 75 LEU H H 1 7.880 . . . . . . . . 74 L HN . 52325 1 175 . 1 . 1 75 75 LEU N N 15 116.586 . . . . . . . . 74 L N . 52325 1 176 . 1 . 1 76 76 LEU H H 1 8.071 . . . . . . . . 75 L HN . 52325 1 177 . 1 . 1 76 76 LEU CA C 13 55.103 . . . . . . . . 75 L CA . 52325 1 178 . 1 . 1 76 76 LEU N N 15 117.087 . . . . . . . . 75 L N . 52325 1 179 . 1 . 1 77 77 SER H H 1 8.099 . . . . . . . . 76 S HN . 52325 1 180 . 1 . 1 77 77 SER C C 13 174.692 . . . . . . . . 76 S CO . 52325 1 181 . 1 . 1 77 77 SER CA C 13 58.205 . . . . . . . . 76 S CA . 52325 1 182 . 1 . 1 77 77 SER N N 15 116.275 . . . . . . . . 76 S N . 52325 1 183 . 1 . 1 78 78 VAL H H 1 8.061 . . . . . . . . 77 V HN . 52325 1 184 . 1 . 1 78 78 VAL C C 13 175.932 . . . . . . . . 77 V CO . 52325 1 185 . 1 . 1 78 78 VAL CA C 13 62.419 . . . . . . . . 77 V CA . 52325 1 186 . 1 . 1 78 78 VAL N N 15 121.163 . . . . . . . . 77 V N . 52325 1 187 . 1 . 1 79 79 ASP H H 1 8.273 . . . . . . . . 78 D HN . 52325 1 188 . 1 . 1 79 79 ASP C C 13 176.094 . . . . . . . . 78 D CO . 52325 1 189 . 1 . 1 79 79 ASP CA C 13 54.330 . . . . . . . . 78 D CA . 52325 1 190 . 1 . 1 79 79 ASP N N 15 123.226 . . . . . . . . 78 D N . 52325 1 191 . 1 . 1 80 80 ALA H H 1 8.116 . . . . . . . . 79 A HN . 52325 1 192 . 1 . 1 80 80 ALA C C 13 177.458 . . . . . . . . 79 A CO . 52325 1 193 . 1 . 1 80 80 ALA CA C 13 52.880 . . . . . . . . 79 A CA . 52325 1 194 . 1 . 1 80 80 ALA N N 15 124.392 . . . . . . . . 79 A N . 52325 1 195 . 1 . 1 81 81 PHE H H 1 8.092 . . . . . . . . 80 F HN . 52325 1 196 . 1 . 1 81 81 PHE C C 13 175.298 . . . . . . . . 80 F CO . 52325 1 197 . 1 . 1 81 81 PHE CA C 13 57.603 . . . . . . . . 80 F CA . 52325 1 198 . 1 . 1 81 81 PHE N N 15 118.225 . . . . . . . . 80 F N . 52325 1 199 . 1 . 1 82 82 ALA H H 1 7.864 . . . . . . . . 81 A HN . 52325 1 200 . 1 . 1 82 82 ALA C C 13 176.567 . . . . . . . . 81 A CO . 52325 1 201 . 1 . 1 82 82 ALA CA C 13 52.035 . . . . . . . . 81 A CA . 52325 1 202 . 1 . 1 82 82 ALA N N 15 125.254 . . . . . . . . 81 A N . 52325 1 203 . 1 . 1 83 83 ALA H H 1 8.166 . . . . . . . . 82 A HN . 52325 1 204 . 1 . 1 83 83 ALA C C 13 175.421 . . . . . . . . 82 A CO . 52325 1 205 . 1 . 1 83 83 ALA CA C 13 50.393 . . . . . . . . 82 A CA . 52325 1 206 . 1 . 1 83 83 ALA N N 15 125.053 . . . . . . . . 82 A N . 52325 1 207 . 1 . 1 88 88 SER H H 1 8.280 . . . . . . . . 87 S HN . 52325 1 208 . 1 . 1 88 88 SER C C 13 174.928 . . . . . . . . 87 S CO . 52325 1 209 . 1 . 1 88 88 SER CA C 13 58.376 . . . . . . . . 87 S CA . 52325 1 210 . 1 . 1 88 88 SER N N 15 114.927 . . . . . . . . 87 S N . 52325 1 211 . 1 . 1 89 89 THR H H 1 8.116 . . . . . . . . 88 T HN . 52325 1 212 . 1 . 1 89 89 THR C C 13 174.128 . . . . . . . . 88 T CO . 52325 1 213 . 1 . 1 89 89 THR CA C 13 61.699 . . . . . . . . 88 T CA . 52325 1 214 . 1 . 1 89 89 THR N N 15 115.617 . . . . . . . . 88 T N . 52325 1 215 . 1 . 1 90 90 ALA H H 1 8.212 . . . . . . . . 89 A HN . 52325 1 216 . 1 . 1 90 90 ALA C C 13 177.396 . . . . . . . . 89 A CO . 52325 1 217 . 1 . 1 90 90 ALA CA C 13 52.359 . . . . . . . . 89 A CA . 52325 1 218 . 1 . 1 90 90 ALA N N 15 126.374 . . . . . . . . 89 A N . 52325 1 219 . 1 . 1 95 95 ALA H H 1 8.353 . . . . . . . . 94 A HN . 52325 1 220 . 1 . 1 95 95 ALA C C 13 177.787 . . . . . . . . 94 A CO . 52325 1 221 . 1 . 1 95 95 ALA CA C 13 52.859 . . . . . . . . 94 A CA . 52325 1 222 . 1 . 1 95 95 ALA N N 15 125.724 . . . . . . . . 94 A N . 52325 1 223 . 1 . 1 96 96 GLU H H 1 8.468 . . . . . . . . 95 E HN . 52325 1 224 . 1 . 1 96 96 GLU C C 13 176.659 . . . . . . . . 95 E CO . 52325 1 225 . 1 . 1 96 96 GLU CA C 13 56.670 . . . . . . . . 95 E CA . 52325 1 226 . 1 . 1 96 96 GLU N N 15 120.519 . . . . . . . . 95 E N . 52325 1 227 . 1 . 1 97 97 SER H H 1 8.356 . . . . . . . . 96 S HN . 52325 1 228 . 1 . 1 97 97 SER C C 13 174.614 . . . . . . . . 96 S CO . 52325 1 229 . 1 . 1 97 97 SER CA C 13 58.168 . . . . . . . . 96 S CA . 52325 1 230 . 1 . 1 97 97 SER N N 15 116.264 . . . . . . . . 96 S N . 52325 1 231 . 1 . 1 98 98 SER H H 1 8.408 . . . . . . . . 97 S HN . 52325 1 232 . 1 . 1 98 98 SER C C 13 174.976 . . . . . . . . 97 S CO . 52325 1 233 . 1 . 1 98 98 SER CA C 13 58.720 . . . . . . . . 97 S CA . 52325 1 234 . 1 . 1 98 98 SER N N 15 117.946 . . . . . . . . 97 S N . 52325 1 235 . 1 . 1 99 99 GLY H H 1 8.410 . . . . . . . . 98 G HN . 52325 1 236 . 1 . 1 99 99 GLY C C 13 173.821 . . . . . . . . 98 G CO . 52325 1 237 . 1 . 1 99 99 GLY CA C 13 45.228 . . . . . . . . 98 G CA . 52325 1 238 . 1 . 1 99 99 GLY N N 15 110.793 . . . . . . . . 98 G N . 52325 1 239 . 1 . 1 100 100 VAL H H 1 7.968 . . . . . . . . 99 V HN . 52325 1 240 . 1 . 1 100 100 VAL C C 13 176.109 . . . . . . . . 99 V CO . 52325 1 241 . 1 . 1 100 100 VAL CA C 13 62.378 . . . . . . . . 99 V CA . 52325 1 242 . 1 . 1 100 100 VAL N N 15 119.670 . . . . . . . . 99 V N . 52325 1 243 . 1 . 1 101 101 ILE H H 1 8.182 . . . . . . . . 100 I HN . 52325 1 244 . 1 . 1 101 101 ILE C C 13 175.603 . . . . . . . . 100 I CO . 52325 1 245 . 1 . 1 101 101 ILE CA C 13 60.938 . . . . . . . . 100 I CA . 52325 1 246 . 1 . 1 101 101 ILE N N 15 124.632 . . . . . . . . 100 I N . 52325 1 247 . 1 . 1 102 102 ASP H H 1 8.348 . . . . . . . . 101 D HN . 52325 1 248 . 1 . 1 102 102 ASP C C 13 176.006 . . . . . . . . 101 D CO . 52325 1 249 . 1 . 1 102 102 ASP CA C 13 54.061 . . . . . . . . 101 D CA . 52325 1 250 . 1 . 1 102 102 ASP N N 15 124.830 . . . . . . . . 101 D N . 52325 1 251 . 1 . 1 103 103 LEU H H 1 8.099 . . . . . . . . 102 L HN . 52325 1 252 . 1 . 1 103 103 LEU C C 13 177.201 . . . . . . . . 102 L CO . 52325 1 253 . 1 . 1 103 103 LEU CA C 13 55.199 . . . . . . . . 102 L CA . 52325 1 254 . 1 . 1 103 103 LEU N N 15 121.648 . . . . . . . . 102 L N . 52325 1 255 . 1 . 1 104 104 PHE H H 1 8.214 . . . . . . . . 103 F HN . 52325 1 256 . 1 . 1 104 104 PHE C C 13 176.411 . . . . . . . . 103 F CO . 52325 1 257 . 1 . 1 104 104 PHE CA C 13 57.938 . . . . . . . . 103 F CA . 52325 1 258 . 1 . 1 104 104 PHE N N 15 119.075 . . . . . . . . 103 F N . 52325 1 259 . 1 . 1 105 105 GLY H H 1 8.172 . . . . . . . . 104 G HN . 52325 1 260 . 1 . 1 105 105 GLY C C 13 173.998 . . . . . . . . 104 G CO . 52325 1 261 . 1 . 1 105 105 GLY CA C 13 45.605 . . . . . . . . 104 G CA . 52325 1 262 . 1 . 1 105 105 GLY N N 15 109.707 . . . . . . . . 104 G N . 52325 1 263 . 1 . 1 106 106 ASP H H 1 8.169 . . . . . . . . 105 D HN . 52325 1 264 . 1 . 1 106 106 ASP C C 13 176.298 . . . . . . . . 105 D CO . 52325 1 265 . 1 . 1 106 106 ASP CA C 13 54.555 . . . . . . . . 105 D CA . 52325 1 266 . 1 . 1 106 106 ASP N N 15 120.525 . . . . . . . . 105 D N . 52325 1 267 . 1 . 1 107 107 ALA H H 1 8.098 . . . . . . . . 106 A HN . 52325 1 268 . 1 . 1 107 107 ALA C C 13 177.587 . . . . . . . . 106 A CO . 52325 1 269 . 1 . 1 107 107 ALA CA C 13 53.073 . . . . . . . . 106 A CA . 52325 1 270 . 1 . 1 107 107 ALA N N 15 123.554 . . . . . . . . 106 A N . 52325 1 271 . 1 . 1 108 108 PHE H H 1 8.099 . . . . . . . . 107 F HN . 52325 1 272 . 1 . 1 108 108 PHE C C 13 176.418 . . . . . . . . 107 F CO . 52325 1 273 . 1 . 1 108 108 PHE CA C 13 58.097 . . . . . . . . 107 F CA . 52325 1 274 . 1 . 1 108 108 PHE N N 15 119.004 . . . . . . . . 107 F N . 52325 1 275 . 1 . 1 109 109 GLY H H 1 8.208 . . . . . . . . 108 G HN . 52325 1 276 . 1 . 1 109 109 GLY C C 13 174.293 . . . . . . . . 108 G CO . 52325 1 277 . 1 . 1 109 109 GLY CA C 13 45.658 . . . . . . . . 108 G CA . 52325 1 278 . 1 . 1 109 109 GLY N N 15 110.151 . . . . . . . . 108 G N . 52325 1 279 . 1 . 1 110 110 SER H H 1 8.199 . . . . . . . . 109 S HN . 52325 1 280 . 1 . 1 110 110 SER C C 13 174.750 . . . . . . . . 109 S CO . 52325 1 281 . 1 . 1 110 110 SER CA C 13 58.271 . . . . . . . . 109 S CA . 52325 1 282 . 1 . 1 110 110 SER N N 15 115.546 . . . . . . . . 109 S N . 52325 1 283 . 1 . 1 111 111 SER H H 1 8.424 . . . . . . . . 110 S HN . 52325 1 284 . 1 . 1 111 111 SER C C 13 174.473 . . . . . . . . 110 S CO . 52325 1 285 . 1 . 1 111 111 SER CA C 13 58.376 . . . . . . . . 110 S CA . 52325 1 286 . 1 . 1 111 111 SER N N 15 117.933 . . . . . . . . 110 S N . 52325 1 287 . 1 . 1 112 112 ALA H H 1 8.327 . . . . . . . . 111 A HN . 52325 1 288 . 1 . 1 112 112 ALA C C 13 177.825 . . . . . . . . 111 A CO . 52325 1 289 . 1 . 1 112 112 ALA CA C 13 52.945 . . . . . . . . 111 A CA . 52325 1 290 . 1 . 1 112 112 ALA N N 15 125.943 . . . . . . . . 111 A N . 52325 1 291 . 1 . 1 113 113 SER H H 1 8.216 . . . . . . . . 112 S HN . 52325 1 292 . 1 . 1 113 113 SER C C 13 174.674 . . . . . . . . 112 S CO . 52325 1 293 . 1 . 1 113 113 SER CA C 13 58.562 . . . . . . . . 112 S CA . 52325 1 294 . 1 . 1 113 113 SER N N 15 114.687 . . . . . . . . 112 S N . 52325 1 295 . 1 . 1 114 114 GLU H H 1 8.378 . . . . . . . . 113 E HN . 52325 1 296 . 1 . 1 114 114 GLU C C 13 176.612 . . . . . . . . 113 E CO . 52325 1 297 . 1 . 1 114 114 GLU CA C 13 56.733 . . . . . . . . 113 E CA . 52325 1 298 . 1 . 1 114 114 GLU N N 15 122.546 . . . . . . . . 113 E N . 52325 1 299 . 1 . 1 115 115 THR H H 1 8.152 . . . . . . . . 114 T HN . 52325 1 300 . 1 . 1 115 115 THR C C 13 174.211 . . . . . . . . 114 T CO . 52325 1 301 . 1 . 1 115 115 THR CA C 13 61.945 . . . . . . . . 114 T CA . 52325 1 302 . 1 . 1 115 115 THR N N 15 115.064 . . . . . . . . 114 T N . 52325 1 303 . 1 . 1 116 116 GLN H H 1 8.357 . . . . . . . . 115 Q HN . 52325 1 304 . 1 . 1 116 116 GLN C C 13 173.669 . . . . . . . . 115 Q CO . 52325 1 305 . 1 . 1 116 116 GLN CA C 13 53.943 . . . . . . . . 115 Q CA . 52325 1 306 . 1 . 1 116 116 GLN N N 15 124.043 . . . . . . . . 115 Q N . 52325 1 307 . 1 . 1 120 120 GLN H H 1 8.430 . . . . . . . . 119 Q HN . 52325 1 308 . 1 . 1 120 120 GLN C C 13 175.710 . . . . . . . . 119 Q CO . 52325 1 309 . 1 . 1 120 120 GLN CA C 13 55.720 . . . . . . . . 119 Q CA . 52325 1 310 . 1 . 1 120 120 GLN N N 15 120.375 . . . . . . . . 119 Q N . 52325 1 311 . 1 . 1 121 121 ALA H H 1 8.340 . . . . . . . . 120 A HN . 52325 1 312 . 1 . 1 121 121 ALA C C 13 177.714 . . . . . . . . 120 A CO . 52325 1 313 . 1 . 1 121 121 ALA CA C 13 52.451 . . . . . . . . 120 A CA . 52325 1 314 . 1 . 1 121 121 ALA N N 15 125.724 . . . . . . . . 120 A N . 52325 1 315 . 1 . 1 122 122 VAL H H 1 8.149 . . . . . . . . 121 V HN . 52325 1 316 . 1 . 1 122 122 VAL C C 13 176.288 . . . . . . . . 121 V CO . 52325 1 317 . 1 . 1 122 122 VAL CA C 13 62.183 . . . . . . . . 121 V CA . 52325 1 318 . 1 . 1 122 122 VAL N N 15 119.451 . . . . . . . . 121 V N . 52325 1 319 . 1 . 1 123 123 SER H H 1 8.422 . . . . . . . . 122 S HN . 52325 1 320 . 1 . 1 123 123 SER C C 13 174.700 . . . . . . . . 122 S CO . 52325 1 321 . 1 . 1 123 123 SER CA C 13 58.076 . . . . . . . . 122 S CA . 52325 1 322 . 1 . 1 123 123 SER N N 15 119.460 . . . . . . . . 122 S N . 52325 1 323 . 1 . 1 124 124 SER H H 1 8.392 . . . . . . . . 123 S HN . 52325 1 324 . 1 . 1 124 124 SER C C 13 174.950 . . . . . . . . 123 S CO . 52325 1 325 . 1 . 1 124 124 SER CA C 13 58.398 . . . . . . . . 123 S CA . 52325 1 326 . 1 . 1 124 124 SER N N 15 118.162 . . . . . . . . 123 S N . 52325 1 327 . 1 . 1 125 125 SER H H 1 8.209 . . . . . . . . 124 S HN . 52325 1 328 . 1 . 1 125 125 SER C C 13 174.812 . . . . . . . . 124 S CO . 52325 1 329 . 1 . 1 125 125 SER CA C 13 58.054 . . . . . . . . 124 S CA . 52325 1 330 . 1 . 1 125 125 SER N N 15 115.668 . . . . . . . . 124 S N . 52325 1 331 . 1 . 1 126 126 SER H H 1 8.359 . . . . . . . . 125 S HN . 52325 1 332 . 1 . 1 126 126 SER C C 13 174.588 . . . . . . . . 125 S CO . 52325 1 333 . 1 . 1 126 126 SER CA C 13 58.628 . . . . . . . . 125 S CA . 52325 1 334 . 1 . 1 126 126 SER N N 15 117.896 . . . . . . . . 125 S N . 52325 1 335 . 1 . 1 127 127 ALA H H 1 8.357 . . . . . . . . 126 A HN . 52325 1 336 . 1 . 1 127 127 ALA C C 13 177.892 . . . . . . . . 126 A CO . 52325 1 337 . 1 . 1 127 127 ALA CA C 13 53.031 . . . . . . . . 126 A CA . 52325 1 338 . 1 . 1 127 127 ALA N N 15 126.306 . . . . . . . . 126 A N . 52325 1 339 . 1 . 1 129 129 ALA H H 1 8.285 . . . . . . . . 128 A HN . 52325 1 340 . 1 . 1 129 129 ALA C C 13 177.991 . . . . . . . . 128 A CO . 52325 1 341 . 1 . 1 129 129 ALA CA C 13 53.245 . . . . . . . . 128 A CA . 52325 1 342 . 1 . 1 129 129 ALA N N 15 125.920 . . . . . . . . 128 A N . 52325 1 343 . 1 . 1 130 130 ASP H H 1 8.203 . . . . . . . . 129 D HN . 52325 1 344 . 1 . 1 130 130 ASP C C 13 176.810 . . . . . . . . 129 D CO . 52325 1 345 . 1 . 1 130 130 ASP CA C 13 54.854 . . . . . . . . 129 D CA . 52325 1 346 . 1 . 1 130 130 ASP N N 15 118.727 . . . . . . . . 129 D N . 52325 1 347 . 1 . 1 131 131 LEU H H 1 7.996 . . . . . . . . 130 L HN . 52325 1 348 . 1 . 1 131 131 LEU C C 13 177.946 . . . . . . . . 130 L CO . 52325 1 349 . 1 . 1 131 131 LEU CA C 13 56.061 . . . . . . . . 130 L CA . 52325 1 350 . 1 . 1 131 131 LEU N N 15 122.139 . . . . . . . . 130 L N . 52325 1 351 . 1 . 1 132 132 LEU H H 1 8.059 . . . . . . . . 131 L HN . 52325 1 352 . 1 . 1 132 132 LEU C C 13 177.510 . . . . . . . . 131 L CO . 52325 1 353 . 1 . 1 132 132 LEU CA C 13 55.457 . . . . . . . . 131 L CA . 52325 1 354 . 1 . 1 132 132 LEU N N 15 120.928 . . . . . . . . 131 L N . 52325 1 355 . 1 . 1 133 133 ALA H H 1 7.957 . . . . . . . . 132 A HN . 52325 1 356 . 1 . 1 133 133 ALA C C 13 178.288 . . . . . . . . 132 A CO . 52325 1 357 . 1 . 1 133 133 ALA CA C 13 53.077 . . . . . . . . 132 A CA . 52325 1 358 . 1 . 1 133 133 ALA N N 15 123.533 . . . . . . . . 132 A N . 52325 1 359 . 1 . 1 134 134 GLY C C 13 174.207 . . . . . . . . 133 G CO . 52325 1 360 . 1 . 1 135 135 PHE H H 1 8.072 . . . . . . . . 134 F HN . 52325 1 361 . 1 . 1 135 135 PHE C C 13 176.451 . . . . . . . . 134 F CO . 52325 1 362 . 1 . 1 135 135 PHE CA C 13 58.005 . . . . . . . . 134 F CA . 52325 1 363 . 1 . 1 135 135 PHE N N 15 119.972 . . . . . . . . 134 F N . 52325 1 364 . 1 . 1 136 136 GLY H H 1 8.398 . . . . . . . . 135 G HN . 52325 1 365 . 1 . 1 136 136 GLY C C 13 174.615 . . . . . . . . 135 G CO . 52325 1 366 . 1 . 1 136 136 GLY CA C 13 45.529 . . . . . . . . 135 G CA . 52325 1 367 . 1 . 1 136 136 GLY N N 15 110.784 . . . . . . . . 135 G N . 52325 1 368 . 1 . 1 137 137 GLY H H 1 7.959 . . . . . . . . 136 G HN . 52325 1 369 . 1 . 1 137 137 GLY C C 13 174.131 . . . . . . . . 136 G CO . 52325 1 370 . 1 . 1 137 137 GLY CA C 13 45.368 . . . . . . . . 136 G CA . 52325 1 371 . 1 . 1 137 137 GLY N N 15 108.282 . . . . . . . . 136 G N . 52325 1 372 . 1 . 1 138 138 SER H H 1 8.142 . . . . . . . . 137 S HN . 52325 1 373 . 1 . 1 138 138 SER C C 13 174.124 . . . . . . . . 137 S CO . 52325 1 374 . 1 . 1 138 138 SER CA C 13 58.262 . . . . . . . . 137 S CA . 52325 1 375 . 1 . 1 138 138 SER N N 15 115.528 . . . . . . . . 137 S N . 52325 1 376 . 1 . 1 139 139 PHE H H 1 8.216 . . . . . . . . 138 F HN . 52325 1 377 . 1 . 1 139 139 PHE C C 13 175.240 . . . . . . . . 138 F CO . 52325 1 378 . 1 . 1 139 139 PHE N N 15 122.286 . . . . . . . . 138 F N . 52325 1 379 . 1 . 1 140 140 MET H H 1 8.090 . . . . . . . . 139 M HN . 52325 1 380 . 1 . 1 140 140 MET C C 13 174.876 . . . . . . . . 139 M CO . 52325 1 381 . 1 . 1 140 140 MET CA C 13 54.862 . . . . . . . . 139 M CA . 52325 1 382 . 1 . 1 140 140 MET N N 15 122.365 . . . . . . . . 139 M N . 52325 1 383 . 1 . 1 141 141 ALA H H 1 8.209 . . . . . . . . 140 A HN . 52325 1 384 . 1 . 1 141 141 ALA C C 13 175.423 . . . . . . . . 140 A CO . 52325 1 385 . 1 . 1 141 141 ALA CA C 13 50.559 . . . . . . . . 140 A CA . 52325 1 386 . 1 . 1 141 141 ALA N N 15 126.906 . . . . . . . . 140 A N . 52325 1 387 . 1 . 1 151 151 GLN H H 1 8.311 . . . . . . . . 150 Q HN . 52325 1 388 . 1 . 1 151 151 GLN C C 13 175.799 . . . . . . . . 150 Q CO . 52325 1 389 . 1 . 1 151 151 GLN CA C 13 55.908 . . . . . . . . 150 Q CA . 52325 1 390 . 1 . 1 151 151 GLN N N 15 119.181 . . . . . . . . 150 Q N . 52325 1 391 . 1 . 1 152 152 ASN H H 1 8.389 . . . . . . . . 151 N HN . 52325 1 392 . 1 . 1 152 152 ASN C C 13 174.986 . . . . . . . . 151 N CO . 52325 1 393 . 1 . 1 152 152 ASN CA C 13 53.481 . . . . . . . . 151 N CA . 52325 1 394 . 1 . 1 152 152 ASN N N 15 119.567 . . . . . . . . 151 N N . 52325 1 395 . 1 . 1 153 153 ASN H H 1 8.403 . . . . . . . . 152 N HN . 52325 1 396 . 1 . 1 153 153 ASN C C 13 175.023 . . . . . . . . 152 N CO . 52325 1 397 . 1 . 1 153 153 ASN CA C 13 53.479 . . . . . . . . 152 N CA . 52325 1 398 . 1 . 1 153 153 ASN N N 15 119.159 . . . . . . . . 152 N N . 52325 1 399 . 1 . 1 161 161 ALA H H 1 8.099 . . . . . . . . 160 A HN . 52325 1 400 . 1 . 1 161 161 ALA C C 13 177.470 . . . . . . . . 160 A CO . 52325 1 401 . 1 . 1 161 161 ALA CA C 13 52.620 . . . . . . . . 160 A CA . 52325 1 402 . 1 . 1 161 161 ALA N N 15 124.683 . . . . . . . . 160 A N . 52325 1 403 . 1 . 1 162 162 ALA H H 1 8.092 . . . . . . . . 161 A HN . 52325 1 404 . 1 . 1 162 162 ALA C C 13 177.551 . . . . . . . . 161 A CO . 52325 1 405 . 1 . 1 162 162 ALA CA C 13 52.429 . . . . . . . . 161 A CA . 52325 1 406 . 1 . 1 162 162 ALA N N 15 122.460 . . . . . . . . 161 A N . 52325 1 407 . 1 . 1 163 163 PHE H H 1 8.114 . . . . . . . . 162 F HN . 52325 1 408 . 1 . 1 163 163 PHE C C 13 176.376 . . . . . . . . 162 F CO . 52325 1 409 . 1 . 1 163 163 PHE CA C 13 57.957 . . . . . . . . 162 F CA . 52325 1 410 . 1 . 1 163 163 PHE N N 15 119.015 . . . . . . . . 162 F N . 52325 1 411 . 1 . 1 164 164 GLY H H 1 8.241 . . . . . . . . 163 G HN . 52325 1 412 . 1 . 1 164 164 GLY C C 13 174.155 . . . . . . . . 163 G CO . 52325 1 413 . 1 . 1 164 164 GLY CA C 13 45.357 . . . . . . . . 163 G CA . 52325 1 414 . 1 . 1 164 164 GLY N N 15 110.488 . . . . . . . . 163 G N . 52325 1 415 . 1 . 1 165 165 THR H H 1 7.999 . . . . . . . . 164 T HN . 52325 1 416 . 1 . 1 165 165 THR C C 13 174.428 . . . . . . . . 164 T CO . 52325 1 417 . 1 . 1 165 165 THR CA C 13 61.983 . . . . . . . . 164 T CA . 52325 1 418 . 1 . 1 165 165 THR N N 15 113.154 . . . . . . . . 164 T N . 52325 1 419 . 1 . 1 170 170 SER H H 1 8.432 . . . . . . . . 169 S HN . 52325 1 420 . 1 . 1 170 170 SER C C 13 174.936 . . . . . . . . 169 S CO . 52325 1 421 . 1 . 1 170 170 SER CA C 13 58.280 . . . . . . . . 169 S CA . 52325 1 422 . 1 . 1 170 170 SER N N 15 115.943 . . . . . . . . 169 S N . 52325 1 423 . 1 . 1 171 171 SER H H 1 8.197 . . . . . . . . 170 S HN . 52325 1 424 . 1 . 1 171 171 SER C C 13 174.727 . . . . . . . . 170 S CO . 52325 1 425 . 1 . 1 171 171 SER N N 15 115.384 . . . . . . . . 170 S N . 52325 1 426 . 1 . 1 172 172 SER H H 1 8.324 . . . . . . . . 171 S HN . 52325 1 427 . 1 . 1 172 172 SER C C 13 174.410 . . . . . . . . 171 S CO . 52325 1 428 . 1 . 1 172 172 SER CA C 13 58.392 . . . . . . . . 171 S CA . 52325 1 429 . 1 . 1 172 172 SER N N 15 117.754 . . . . . . . . 171 S N . 52325 1 430 . 1 . 1 173 173 SER H H 1 8.237 . . . . . . . . 172 S HN . 52325 1 431 . 1 . 1 173 173 SER C C 13 173.732 . . . . . . . . 172 S CO . 52325 1 432 . 1 . 1 173 173 SER CA C 13 58.325 . . . . . . . . 172 S CA . 52325 1 433 . 1 . 1 173 173 SER N N 15 117.557 . . . . . . . . 172 S N . 52325 1 434 . 1 . 1 174 174 SER H H 1 8.140 . . . . . . . . 173 S HN . 52325 1 435 . 1 . 1 174 174 SER C C 13 174.680 . . . . . . . . 173 S CO . 52325 1 436 . 1 . 1 174 174 SER CA C 13 57.539 . . . . . . . . 173 S CA . 52325 1 437 . 1 . 1 174 174 SER N N 15 121.863 . . . . . . . . 173 S N . 52325 1 438 . 1 . 1 178 178 SER H H 1 8.360 . . . . . . . . 177 S HN . 52325 1 439 . 1 . 1 178 178 SER C C 13 175.228 . . . . . . . . 177 S CO . 52325 1 440 . 1 . 1 178 178 SER CA C 13 59.136 . . . . . . . . 177 S CA . 52325 1 441 . 1 . 1 178 178 SER N N 15 115.257 . . . . . . . . 177 S N . 52325 1 442 . 1 . 1 181 181 LEU H H 1 8.130 . . . . . . . . 180 L HN . 52325 1 443 . 1 . 1 181 181 LEU C C 13 177.115 . . . . . . . . 180 L CO . 52325 1 444 . 1 . 1 181 181 LEU CA C 13 55.324 . . . . . . . . 180 L CA . 52325 1 445 . 1 . 1 181 181 LEU N N 15 121.783 . . . . . . . . 180 L N . 52325 1 446 . 1 . 1 182 182 LEU H H 1 8.033 . . . . . . . . 181 L HN . 52325 1 447 . 1 . 1 182 182 LEU C C 13 176.923 . . . . . . . . 181 L CO . 52325 1 448 . 1 . 1 182 182 LEU CA C 13 54.956 . . . . . . . . 181 L CA . 52325 1 449 . 1 . 1 182 182 LEU N N 15 121.777 . . . . . . . . 181 L N . 52325 1 450 . 1 . 1 183 183 MET H H 1 8.180 . . . . . . . . 182 M HN . 52325 1 451 . 1 . 1 183 183 MET C C 13 174.171 . . . . . . . . 182 M CO . 52325 1 452 . 1 . 1 183 183 MET CA C 13 52.751 . . . . . . . . 182 M CA . 52325 1 453 . 1 . 1 183 183 MET N N 15 122.193 . . . . . . . . 182 M N . 52325 1 454 . 1 . 1 185 185 THR H H 1 8.186 . . . . . . . . 184 T HN . 52325 1 455 . 1 . 1 185 185 THR C C 13 174.452 . . . . . . . . 184 T CO . 52325 1 456 . 1 . 1 185 185 THR CA C 13 61.973 . . . . . . . . 184 T CA . 52325 1 457 . 1 . 1 185 185 THR N N 15 114.217 . . . . . . . . 184 T N . 52325 1 458 . 1 . 1 186 186 MET H H 1 8.307 . . . . . . . . 185 M HN . 52325 1 459 . 1 . 1 186 186 MET C C 13 175.360 . . . . . . . . 185 M CO . 52325 1 460 . 1 . 1 186 186 MET CA C 13 55.050 . . . . . . . . 185 M CA . 52325 1 461 . 1 . 1 186 186 MET N N 15 122.878 . . . . . . . . 185 M N . 52325 1 462 . 1 . 1 187 187 ALA H H 1 8.333 . . . . . . . . 186 A HN . 52325 1 463 . 1 . 1 187 187 ALA C C 13 175.553 . . . . . . . . 186 A CO . 52325 1 464 . 1 . 1 187 187 ALA CA C 13 50.587 . . . . . . . . 186 A CA . 52325 1 465 . 1 . 1 187 187 ALA N N 15 126.905 . . . . . . . . 186 A N . 52325 1 466 . 1 . 1 189 189 SER H H 1 8.380 . . . . . . . . 188 S HN . 52325 1 467 . 1 . 1 189 189 SER C C 13 175.236 . . . . . . . . 188 S CO . 52325 1 468 . 1 . 1 189 189 SER CA C 13 58.376 . . . . . . . . 188 S CA . 52325 1 469 . 1 . 1 189 189 SER N N 15 115.698 . . . . . . . . 188 S N . 52325 1 470 . 1 . 1 190 190 GLY H H 1 8.424 . . . . . . . . 189 G HN . 52325 1 471 . 1 . 1 190 190 GLY C C 13 173.744 . . . . . . . . 189 G CO . 52325 1 472 . 1 . 1 190 190 GLY CA C 13 45.250 . . . . . . . . 189 G CA . 52325 1 473 . 1 . 1 190 190 GLY N N 15 110.793 . . . . . . . . 189 G N . 52325 1 474 . 1 . 1 191 191 GLN H H 1 8.115 . . . . . . . . 190 Q HN . 52325 1 475 . 1 . 1 191 191 GLN C C 13 173.826 . . . . . . . . 190 Q CO . 52325 1 476 . 1 . 1 191 191 GLN CA C 13 53.543 . . . . . . . . 190 Q CA . 52325 1 477 . 1 . 1 191 191 GLN N N 15 120.592 . . . . . . . . 190 Q N . 52325 1 478 . 1 . 1 195 195 VAL H H 1 8.210 . . . . . . . . 194 V HN . 52325 1 479 . 1 . 1 195 195 VAL C C 13 176.182 . . . . . . . . 194 V CO . 52325 1 480 . 1 . 1 195 195 VAL CA C 13 62.299 . . . . . . . . 194 V CA . 52325 1 481 . 1 . 1 195 195 VAL N N 15 120.209 . . . . . . . . 194 V N . 52325 1 482 . 1 . 1 196 196 SER H H 1 8.330 . . . . . . . . 195 S HN . 52325 1 483 . 1 . 1 196 196 SER C C 13 174.302 . . . . . . . . 195 S CO . 52325 1 484 . 1 . 1 196 196 SER CA C 13 58.012 . . . . . . . . 195 S CA . 52325 1 485 . 1 . 1 196 196 SER N N 15 119.038 . . . . . . . . 195 S N . 52325 1 486 . 1 . 1 197 197 MET H H 1 8.420 . . . . . . . . 196 M HN . 52325 1 487 . 1 . 1 197 197 MET C C 13 175.747 . . . . . . . . 196 M CO . 52325 1 488 . 1 . 1 197 197 MET CA C 13 55.294 . . . . . . . . 196 M CA . 52325 1 489 . 1 . 1 197 197 MET N N 15 123.054 . . . . . . . . 196 M N . 52325 1 490 . 1 . 1 198 198 VAL H H 1 8.127 . . . . . . . . 197 V HN . 52325 1 491 . 1 . 1 198 198 VAL C C 13 173.981 . . . . . . . . 197 V CO . 52325 1 492 . 1 . 1 198 198 VAL CA C 13 59.849 . . . . . . . . 197 V CA . 52325 1 493 . 1 . 1 198 198 VAL N N 15 123.290 . . . . . . . . 197 V N . 52325 1 stop_ save_